----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:27:34]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888919335000002 -3.413643180000000 0.000000000000000 b 5.888919335000002 3.413643180000000 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): *1 O 0.35539517029861 0.64460482970139 0.25000000000000 15.999 2 O 0.64460482970139 0.35539517029861 0.75000000000000 15.999 *3 O 0.89482815475305 0.00425961150885 0.10353232996688 15.999 4 O 0.99574038849115 0.10517184524695 0.39646767003312 15.999 5 O 0.10517184524695 0.99574038849115 0.89646767003312 15.999 6 O 0.00425961150886 0.89482815475305 0.60353232996688 15.999 *7 O 0.58231438473238 0.19166958599873 0.25208412799936 15.999 8 O 0.80833041400127 0.41768561526762 0.24791587200064 15.999 9 O 0.41768561526762 0.80833041400127 0.74791587200064 15.999 10 O 0.19166958599873 0.58231438473238 0.75208412799936 15.999 *11 O 0.16806978071888 0.37133502857790 0.11056868057075 15.999 12 O 0.62866497142210 0.83193021928112 0.38943131942925 15.999 *13 O 0.46838327352416 0.27633525485398 0.90553103455737 15.999 14 O 0.72366474514602 0.53161672647584 0.59446896544263 15.999 15 O 0.53161672647584 0.72366474514602 0.09446896544263 15.999 16 O 0.27633525485398 0.46838327352416 0.40553103455737 15.999 17 O 0.37133502857790 0.16806978071888 0.61056868057075 15.999 18 O 0.83193021928112 0.62866497142210 0.88943131942925 15.999 *19 Si 0.84237750550652 0.15762249449348 0.25000000000000 28.085 20 Si 0.15762249449348 0.84237750550652 0.75000000000000 28.085 *21 Si 0.32315280966107 0.41903720802598 0.25528028263291 28.085 22 Si 0.58096279197402 0.67684719033893 0.24471971736709 28.085 23 Si 0.67684719033893 0.58096279197402 0.74471971736709 28.085 24 Si 0.41903720802598 0.32315280966107 0.75528028263291 28.085 *25 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 26 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 *27 Ca 0.15437657542173 0.67203988491945 0.00092472164599 40.078 28 Ca 0.32796011508054 0.84562342457827 0.49907527835401 40.078 29 Ca 0.84562342457827 0.32796011508054 0.99907527835401 40.078 30 Ca 0.67203988491946 0.15437657542173 0.50092472164599 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.777838670000003 0.000000000000000 0.000000000000000 b 0.000000000000000 6.827286360000000 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): *1 O 0.50000000000000 0.14460482970139 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.85539517029861 0.75000000000000 15.999 > 2 *3 O 0.44954388313095 0.55471572837790 0.10353232996688 15.999 > 3 4 O 0.55045611686905 0.55471572837790 0.39646767003312 15.999 > 4 5 O 0.55045611686905 0.44528427162210 0.89646767003312 15.999 > 5 6 O 0.44954388313095 0.44528427162210 0.60353232996688 15.999 > 6 *7 O 0.38699198536556 0.80467760063317 0.25208412799936 15.999 > 7 8 O 0.61300801463444 0.80467760063317 0.24791587200064 15.999 > 8 9 O 0.61300801463444 0.19532239936683 0.74791587200064 15.999 > 9 10 O 0.38699198536556 0.19532239936683 0.75208412799936 15.999 > 10 *11 O 0.26970240464839 0.10163262392951 0.11056868057075 15.999 > 11 12 O 0.73029759535161 0.10163262392951 0.38943131942925 15.999 > 12 *13 O 0.37235926418907 0.90397599066491 0.90553103455737 15.999 > 13 14 O 0.62764073581093 0.90397599066491 0.59446896544263 15.999 > 14 15 O 0.62764073581093 0.09602400933509 0.09446896544263 15.999 > 15 16 O 0.37235926418907 0.09602400933509 0.40553103455737 15.999 > 16 17 O 0.26970240464839 0.89836737607049 0.61056868057075 15.999 > 17 18 O 0.73029759535161 0.89836737607049 0.88943131942925 15.999 > 18 19 O 0.00000000000000 0.64460482970139 0.25000000000000 15.999 > 1 20 O 0.00000000000000 0.35539517029861 0.75000000000000 15.999 > 2 21 O 0.94954388313095 0.05471572837790 0.10353232996688 15.999 > 3 22 O 0.05045611686905 0.05471572837790 0.39646767003312 15.999 > 4 23 O 0.05045611686905 0.94528427162210 0.89646767003312 15.999 > 5 24 O 0.94954388313095 0.94528427162210 0.60353232996688 15.999 > 6 25 O 0.88699198536556 0.30467760063317 0.25208412799936 15.999 > 7 26 O 0.11300801463445 0.30467760063317 0.24791587200064 15.999 > 8 27 O 0.11300801463445 0.69532239936683 0.74791587200064 15.999 > 9 28 O 0.88699198536556 0.69532239936683 0.75208412799936 15.999 > 10 29 O 0.76970240464839 0.60163262392951 0.11056868057075 15.999 > 11 30 O 0.23029759535161 0.60163262392951 0.38943131942925 15.999 > 12 31 O 0.87235926418907 0.40397599066491 0.90553103455737 15.999 > 13 32 O 0.12764073581093 0.40397599066491 0.59446896544263 15.999 > 14 33 O 0.12764073581093 0.59602400933509 0.09446896544263 15.999 > 15 34 O 0.87235926418907 0.59602400933509 0.40553103455737 15.999 > 16 35 O 0.76970240464839 0.39836737607049 0.61056868057075 15.999 > 17 36 O 0.23029759535161 0.39836737607049 0.88943131942925 15.999 > 18 *37 Si 0.50000000000000 0.65762249449348 0.25000000000000 28.085 > 19 38 Si 0.50000000000000 0.34237750550652 0.75000000000000 28.085 > 20 *39 Si 0.37109500884352 0.04794219918246 0.25528028263291 28.085 > 21 40 Si 0.62890499115648 0.04794219918246 0.24471971736709 28.085 > 22 41 Si 0.62890499115648 0.95205780081754 0.74471971736709 28.085 > 23 42 Si 0.37109500884352 0.95205780081754 0.75528028263291 28.085 > 24 43 Si 0.00000000000000 0.15762249449349 0.25000000000000 28.085 > 19 44 Si 0.00000000000000 0.84237750550652 0.75000000000000 28.085 > 20 45 Si 0.87109500884352 0.54794219918246 0.25528028263291 28.085 > 21 46 Si 0.12890499115647 0.54794219918246 0.24471971736709 28.085 > 22 47 Si 0.12890499115647 0.45205780081754 0.74471971736709 28.085 > 23 48 Si 0.87109500884352 0.45205780081754 0.75528028263291 28.085 > 24 *49 Ca 0.75000000000000 0.75000000000000 0.50000000000000 40.078 > 25 50 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 26 *51 Ca 0.41320823017059 0.25883165474886 0.00092472164599 40.078 > 27 52 Ca 0.58679176982941 0.25883165474886 0.49907527835401 40.078 > 28 53 Ca 0.58679176982941 0.74116834525114 0.99907527835401 40.078 > 29 54 Ca 0.41320823017059 0.74116834525114 0.50092472164599 40.078 > 30 55 Ca 0.25000000000000 0.25000000000000 0.50000000000000 40.078 > 25 56 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 26 57 Ca 0.91320823017059 0.75883165474886 0.00092472164599 40.078 > 27 58 Ca 0.08679176982941 0.75883165474886 0.49907527835401 40.078 > 28 59 Ca 0.08679176982941 0.24116834525114 0.99907527835401 40.078 > 29 60 Ca 0.91320823017059 0.24116834525114 0.50092472164599 40.078 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.777838670000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.654572720000001 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): *1 O 0.50000000000000 0.07230241485069 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.57230241485069 0.25000000000000 15.999 > 1 3 O 0.50000000000000 0.42769758514931 0.75000000000000 15.999 > 2 4 O 0.50000000000000 0.92769758514931 0.75000000000000 15.999 > 2 *5 O 0.44954388313095 0.27735786418895 0.10353232996688 15.999 > 3 6 O 0.44954388313095 0.77735786418895 0.10353232996688 15.999 > 3 7 O 0.55045611686905 0.27735786418895 0.39646767003312 15.999 > 4 8 O 0.55045611686905 0.77735786418895 0.39646767003312 15.999 > 4 9 O 0.55045611686905 0.22264213581105 0.89646767003312 15.999 > 5 10 O 0.55045611686905 0.72264213581105 0.89646767003312 15.999 > 5 11 O 0.44954388313095 0.22264213581105 0.60353232996688 15.999 > 6 12 O 0.44954388313095 0.72264213581105 0.60353232996688 15.999 > 6 *13 O 0.38699198536556 0.40233880031659 0.25208412799936 15.999 > 7 14 O 0.38699198536556 0.90233880031659 0.25208412799936 15.999 > 7 15 O 0.61300801463444 0.40233880031659 0.24791587200064 15.999 > 8 16 O 0.61300801463444 0.90233880031659 0.24791587200064 15.999 > 8 17 O 0.61300801463444 0.09766119968341 0.74791587200064 15.999 > 9 18 O 0.61300801463444 0.59766119968341 0.74791587200064 15.999 > 9 19 O 0.38699198536556 0.09766119968341 0.75208412799936 15.999 > 10 20 O 0.38699198536556 0.59766119968341 0.75208412799936 15.999 > 10 *21 O 0.26970240464839 0.05081631196476 0.11056868057075 15.999 > 11 22 O 0.26970240464839 0.55081631196476 0.11056868057075 15.999 > 11 23 O 0.73029759535161 0.05081631196476 0.38943131942925 15.999 > 12 24 O 0.73029759535161 0.55081631196476 0.38943131942925 15.999 > 12 *25 O 0.37235926418907 0.45198799533246 0.90553103455737 15.999 > 13 26 O 0.37235926418907 0.95198799533246 0.90553103455737 15.999 > 13 27 O 0.62764073581093 0.45198799533246 0.59446896544263 15.999 > 14 28 O 0.62764073581093 0.95198799533246 0.59446896544263 15.999 > 14 29 O 0.62764073581093 0.04801200466754 0.09446896544263 15.999 > 15 30 O 0.62764073581093 0.54801200466754 0.09446896544263 15.999 > 15 31 O 0.37235926418907 0.04801200466754 0.40553103455737 15.999 > 16 32 O 0.37235926418907 0.54801200466754 0.40553103455737 15.999 > 16 33 O 0.26970240464839 0.44918368803524 0.61056868057075 15.999 > 17 34 O 0.26970240464839 0.94918368803524 0.61056868057075 15.999 > 17 35 O 0.73029759535161 0.44918368803524 0.88943131942925 15.999 > 18 36 O 0.73029759535161 0.94918368803524 0.88943131942925 15.999 > 18 37 O 0.00000000000000 0.32230241485069 0.25000000000000 15.999 > 1 38 O 0.00000000000000 0.82230241485069 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.17769758514931 0.75000000000000 15.999 > 2 40 O 0.00000000000000 0.67769758514931 0.75000000000000 15.999 > 2 41 O 0.94954388313095 0.02735786418895 0.10353232996688 15.999 > 3 42 O 0.94954388313095 0.52735786418895 0.10353232996688 15.999 > 3 43 O 0.05045611686905 0.02735786418895 0.39646767003312 15.999 > 4 44 O 0.05045611686905 0.52735786418895 0.39646767003312 15.999 > 4 45 O 0.05045611686905 0.47264213581105 0.89646767003312 15.999 > 5 46 O 0.05045611686905 0.97264213581105 0.89646767003312 15.999 > 5 47 O 0.94954388313095 0.47264213581105 0.60353232996688 15.999 > 6 48 O 0.94954388313095 0.97264213581105 0.60353232996688 15.999 > 6 49 O 0.88699198536556 0.15233880031659 0.25208412799936 15.999 > 7 50 O 0.88699198536556 0.65233880031659 0.25208412799936 15.999 > 7 51 O 0.11300801463445 0.15233880031659 0.24791587200064 15.999 > 8 52 O 0.11300801463445 0.65233880031659 0.24791587200064 15.999 > 8 53 O 0.11300801463445 0.34766119968341 0.74791587200064 15.999 > 9 54 O 0.11300801463445 0.84766119968341 0.74791587200064 15.999 > 9 55 O 0.88699198536556 0.34766119968341 0.75208412799936 15.999 > 10 56 O 0.88699198536556 0.84766119968341 0.75208412799936 15.999 > 10 57 O 0.76970240464839 0.30081631196476 0.11056868057075 15.999 > 11 58 O 0.76970240464839 0.80081631196476 0.11056868057075 15.999 > 11 59 O 0.23029759535161 0.30081631196476 0.38943131942925 15.999 > 12 60 O 0.23029759535161 0.80081631196476 0.38943131942925 15.999 > 12 61 O 0.87235926418907 0.20198799533246 0.90553103455737 15.999 > 13 62 O 0.87235926418907 0.70198799533246 0.90553103455737 15.999 > 13 63 O 0.12764073581093 0.20198799533246 0.59446896544263 15.999 > 14 64 O 0.12764073581093 0.70198799533246 0.59446896544263 15.999 > 14 65 O 0.12764073581093 0.29801200466754 0.09446896544263 15.999 > 15 66 O 0.12764073581093 0.79801200466754 0.09446896544263 15.999 > 15 67 O 0.87235926418907 0.29801200466754 0.40553103455737 15.999 > 16 68 O 0.87235926418907 0.79801200466754 0.40553103455737 15.999 > 16 69 O 0.76970240464839 0.19918368803524 0.61056868057075 15.999 > 17 70 O 0.76970240464839 0.69918368803524 0.61056868057075 15.999 > 17 71 O 0.23029759535161 0.19918368803524 0.88943131942925 15.999 > 18 72 O 0.23029759535161 0.69918368803524 0.88943131942925 15.999 > 18 *73 Si 0.50000000000000 0.32881124724674 0.25000000000000 28.085 > 19 74 Si 0.50000000000000 0.82881124724674 0.25000000000000 28.085 > 19 75 Si 0.50000000000000 0.17118875275326 0.75000000000000 28.085 > 20 76 Si 0.50000000000000 0.67118875275326 0.75000000000000 28.085 > 20 *77 Si 0.37109500884352 0.02397109959123 0.25528028263291 28.085 > 21 78 Si 0.37109500884352 0.52397109959123 0.25528028263291 28.085 > 21 79 Si 0.62890499115648 0.02397109959123 0.24471971736709 28.085 > 22 80 Si 0.62890499115648 0.52397109959123 0.24471971736709 28.085 > 22 81 Si 0.62890499115648 0.47602890040877 0.74471971736709 28.085 > 23 82 Si 0.62890499115648 0.97602890040877 0.74471971736709 28.085 > 23 83 Si 0.37109500884352 0.47602890040877 0.75528028263291 28.085 > 24 84 Si 0.37109500884352 0.97602890040877 0.75528028263291 28.085 > 24 85 Si 0.00000000000000 0.07881124724674 0.25000000000000 28.085 > 19 86 Si 0.00000000000000 0.57881124724674 0.25000000000000 28.085 > 19 87 Si 0.00000000000000 0.42118875275326 0.75000000000000 28.085 > 20 88 Si 0.00000000000000 0.92118875275326 0.75000000000000 28.085 > 20 89 Si 0.87109500884352 0.27397109959123 0.25528028263291 28.085 > 21 90 Si 0.87109500884352 0.77397109959123 0.25528028263291 28.085 > 21 91 Si 0.12890499115647 0.27397109959123 0.24471971736709 28.085 > 22 92 Si 0.12890499115647 0.77397109959123 0.24471971736709 28.085 > 22 93 Si 0.12890499115647 0.22602890040877 0.74471971736709 28.085 > 23 94 Si 0.12890499115647 0.72602890040877 0.74471971736709 28.085 > 23 95 Si 0.87109500884352 0.22602890040877 0.75528028263291 28.085 > 24 96 Si 0.87109500884352 0.72602890040877 0.75528028263291 28.085 > 24 *97 Ca 0.75000000000000 0.37500000000000 0.50000000000000 40.078 > 25 98 Ca 0.75000000000000 0.87500000000000 0.50000000000000 40.078 > 25 99 Ca 0.75000000000000 0.12500000000000 0.00000000000000 40.078 > 26 100 Ca 0.75000000000000 0.62500000000000 0.00000000000000 40.078 > 26 *101 Ca 0.41320823017059 0.12941582737443 0.00092472164599 40.078 > 27 102 Ca 0.41320823017059 0.62941582737443 0.00092472164599 40.078 > 27 103 Ca 0.58679176982941 0.12941582737443 0.49907527835401 40.078 > 28 104 Ca 0.58679176982941 0.62941582737443 0.49907527835401 40.078 > 28 105 Ca 0.58679176982941 0.37058417262557 0.99907527835401 40.078 > 29 106 Ca 0.58679176982941 0.87058417262557 0.99907527835401 40.078 > 29 107 Ca 0.41320823017059 0.37058417262557 0.50092472164599 40.078 > 30 108 Ca 0.41320823017059 0.87058417262557 0.50092472164599 40.078 > 30 109 Ca 0.25000000000000 0.12500000000000 0.50000000000000 40.078 > 25 110 Ca 0.25000000000000 0.62500000000000 0.50000000000000 40.078 > 25 111 Ca 0.25000000000000 0.37500000000000 0.00000000000000 40.078 > 26 112 Ca 0.25000000000000 0.87500000000000 0.00000000000000 40.078 > 26 113 Ca 0.91320823017059 0.37941582737443 0.00092472164599 40.078 > 27 114 Ca 0.91320823017059 0.87941582737443 0.00092472164599 40.078 > 27 115 Ca 0.08679176982941 0.37941582737443 0.49907527835401 40.078 > 28 116 Ca 0.08679176982941 0.87941582737443 0.49907527835401 40.078 > 28 117 Ca 0.08679176982941 0.12058417262557 0.99907527835401 40.078 > 29 118 Ca 0.08679176982941 0.62058417262557 0.99907527835401 40.078 > 29 119 Ca 0.91320823017059 0.12058417262557 0.50092472164599 40.078 > 30 120 Ca 0.91320823017059 0.62058417262557 0.50092472164599 40.078 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8579246 0.0000000 0.0118550 0.0000000 2.8562398 0.0000000 0.0118554 0.0000000 3.0186352 -------------------------- Born effective charges -------------------------- 1 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 2 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 3 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 4 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 5 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 6 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 7 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 8 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 9 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 10 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 11 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 12 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 13 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 14 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 15 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 16 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 17 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 18 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 19 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 20 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 21 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 22 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 23 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 24 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 25 Ca 2.5962356 -0.2221103 0.0944001 -0.2264869 2.2957172 -0.0372423 -0.0198409 0.0302082 2.4427946 26 Ca 2.5962356 0.2221103 0.0944001 0.2264869 2.2957172 0.0372423 -0.0198409 -0.0302082 2.4427946 27 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 28 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 29 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 30 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.264 Solver_block: 200 / 960 - Time: 1.054 Solver_block: 300 / 960 - Time: 1.057 Solver_block: 400 / 960 - Time: 1.058 Solver_block: 500 / 960 - Time: 1.059 Solver_block: 600 / 960 - Time: 1.050 Solver_block: 700 / 960 - Time: 1.065 Solver_block: 800 / 960 - Time: 1.054 Solver_block: 900 / 960 - Time: 1.052 Solver_block: 960 / 960 - Time: 0.685 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.633 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:28:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:28:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888919335000002 -3.413643180000000 0.000000000000000 b 5.888919335000002 3.413643180000000 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): 1 O 0.35539517029861 0.64460482970139 0.25000000000000 15.999 2 O 0.64460482970139 0.35539517029861 0.75000000000000 15.999 3 O 0.89482815475305 0.00425961150885 0.10353232996688 15.999 4 O 0.99574038849115 0.10517184524695 0.39646767003312 15.999 5 O 0.10517184524695 0.99574038849115 0.89646767003312 15.999 6 O 0.00425961150886 0.89482815475305 0.60353232996688 15.999 7 O 0.58231438473238 0.19166958599873 0.25208412799936 15.999 8 O 0.80833041400127 0.41768561526762 0.24791587200064 15.999 9 O 0.41768561526762 0.80833041400127 0.74791587200064 15.999 10 O 0.19166958599873 0.58231438473238 0.75208412799936 15.999 11 O 0.16806978071888 0.37133502857790 0.11056868057075 15.999 12 O 0.62866497142210 0.83193021928112 0.38943131942925 15.999 13 O 0.46838327352416 0.27633525485398 0.90553103455737 15.999 14 O 0.72366474514602 0.53161672647584 0.59446896544263 15.999 15 O 0.53161672647584 0.72366474514602 0.09446896544263 15.999 16 O 0.27633525485398 0.46838327352416 0.40553103455737 15.999 17 O 0.37133502857790 0.16806978071888 0.61056868057075 15.999 18 O 0.83193021928112 0.62866497142210 0.88943131942925 15.999 19 Si 0.84237750550652 0.15762249449348 0.25000000000000 28.085 20 Si 0.15762249449348 0.84237750550652 0.75000000000000 28.085 21 Si 0.32315280966107 0.41903720802598 0.25528028263291 28.085 22 Si 0.58096279197402 0.67684719033893 0.24471971736709 28.085 23 Si 0.67684719033893 0.58096279197402 0.74471971736709 28.085 24 Si 0.41903720802598 0.32315280966107 0.75528028263291 28.085 25 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 26 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 27 Ca 0.15437657542173 0.67203988491945 0.00092472164599 40.078 28 Ca 0.32796011508054 0.84562342457827 0.49907527835401 40.078 29 Ca 0.84562342457827 0.32796011508054 0.99907527835401 40.078 30 Ca 0.67203988491946 0.15437657542173 0.50092472164599 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.777838670000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.654572720000001 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): 1 O 0.50000000000000 0.07230241485069 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.57230241485069 0.25000000000000 15.999 > 1 3 O 0.50000000000000 0.42769758514931 0.75000000000000 15.999 > 3 4 O 0.50000000000000 0.92769758514931 0.75000000000000 15.999 > 3 5 O 0.44954388313095 0.27735786418895 0.10353232996688 15.999 > 5 6 O 0.44954388313095 0.77735786418895 0.10353232996688 15.999 > 5 7 O 0.55045611686905 0.27735786418895 0.39646767003312 15.999 > 7 8 O 0.55045611686905 0.77735786418895 0.39646767003312 15.999 > 7 9 O 0.55045611686905 0.22264213581105 0.89646767003312 15.999 > 9 10 O 0.55045611686905 0.72264213581105 0.89646767003312 15.999 > 9 11 O 0.44954388313095 0.22264213581105 0.60353232996688 15.999 > 11 12 O 0.44954388313095 0.72264213581105 0.60353232996688 15.999 > 11 13 O 0.38699198536556 0.40233880031659 0.25208412799936 15.999 > 13 14 O 0.38699198536556 0.90233880031659 0.25208412799936 15.999 > 13 15 O 0.61300801463444 0.40233880031659 0.24791587200064 15.999 > 15 16 O 0.61300801463444 0.90233880031659 0.24791587200064 15.999 > 15 17 O 0.61300801463444 0.09766119968341 0.74791587200064 15.999 > 17 18 O 0.61300801463444 0.59766119968341 0.74791587200064 15.999 > 17 19 O 0.38699198536556 0.09766119968341 0.75208412799936 15.999 > 19 20 O 0.38699198536556 0.59766119968341 0.75208412799936 15.999 > 19 21 O 0.26970240464839 0.05081631196476 0.11056868057075 15.999 > 21 22 O 0.26970240464839 0.55081631196476 0.11056868057075 15.999 > 21 23 O 0.73029759535161 0.05081631196476 0.38943131942925 15.999 > 23 24 O 0.73029759535161 0.55081631196476 0.38943131942925 15.999 > 23 25 O 0.37235926418907 0.45198799533246 0.90553103455737 15.999 > 25 26 O 0.37235926418907 0.95198799533246 0.90553103455737 15.999 > 25 27 O 0.62764073581093 0.45198799533246 0.59446896544263 15.999 > 27 28 O 0.62764073581093 0.95198799533246 0.59446896544263 15.999 > 27 29 O 0.62764073581093 0.04801200466754 0.09446896544263 15.999 > 29 30 O 0.62764073581093 0.54801200466754 0.09446896544263 15.999 > 29 31 O 0.37235926418907 0.04801200466754 0.40553103455737 15.999 > 31 32 O 0.37235926418907 0.54801200466754 0.40553103455737 15.999 > 31 33 O 0.26970240464839 0.44918368803524 0.61056868057075 15.999 > 33 34 O 0.26970240464839 0.94918368803524 0.61056868057075 15.999 > 33 35 O 0.73029759535161 0.44918368803524 0.88943131942925 15.999 > 35 36 O 0.73029759535161 0.94918368803524 0.88943131942925 15.999 > 35 37 O 0.00000000000000 0.32230241485069 0.25000000000000 15.999 > 1 38 O 0.00000000000000 0.82230241485069 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.17769758514931 0.75000000000000 15.999 > 3 40 O 0.00000000000000 0.67769758514931 0.75000000000000 15.999 > 3 41 O 0.94954388313095 0.02735786418895 0.10353232996688 15.999 > 5 42 O 0.94954388313095 0.52735786418895 0.10353232996688 15.999 > 5 43 O 0.05045611686905 0.02735786418895 0.39646767003312 15.999 > 7 44 O 0.05045611686905 0.52735786418895 0.39646767003312 15.999 > 7 45 O 0.05045611686905 0.47264213581105 0.89646767003312 15.999 > 9 46 O 0.05045611686905 0.97264213581105 0.89646767003312 15.999 > 9 47 O 0.94954388313095 0.47264213581105 0.60353232996688 15.999 > 11 48 O 0.94954388313095 0.97264213581105 0.60353232996688 15.999 > 11 49 O 0.88699198536556 0.15233880031659 0.25208412799936 15.999 > 13 50 O 0.88699198536556 0.65233880031659 0.25208412799936 15.999 > 13 51 O 0.11300801463445 0.15233880031659 0.24791587200064 15.999 > 15 52 O 0.11300801463445 0.65233880031659 0.24791587200064 15.999 > 15 53 O 0.11300801463445 0.34766119968341 0.74791587200064 15.999 > 17 54 O 0.11300801463445 0.84766119968341 0.74791587200064 15.999 > 17 55 O 0.88699198536556 0.34766119968341 0.75208412799936 15.999 > 19 56 O 0.88699198536556 0.84766119968341 0.75208412799936 15.999 > 19 57 O 0.76970240464839 0.30081631196476 0.11056868057075 15.999 > 21 58 O 0.76970240464839 0.80081631196476 0.11056868057075 15.999 > 21 59 O 0.23029759535161 0.30081631196476 0.38943131942925 15.999 > 23 60 O 0.23029759535161 0.80081631196476 0.38943131942925 15.999 > 23 61 O 0.87235926418907 0.20198799533246 0.90553103455737 15.999 > 25 62 O 0.87235926418907 0.70198799533246 0.90553103455737 15.999 > 25 63 O 0.12764073581093 0.20198799533246 0.59446896544263 15.999 > 27 64 O 0.12764073581093 0.70198799533246 0.59446896544263 15.999 > 27 65 O 0.12764073581093 0.29801200466754 0.09446896544263 15.999 > 29 66 O 0.12764073581093 0.79801200466754 0.09446896544263 15.999 > 29 67 O 0.87235926418907 0.29801200466754 0.40553103455737 15.999 > 31 68 O 0.87235926418907 0.79801200466754 0.40553103455737 15.999 > 31 69 O 0.76970240464839 0.19918368803524 0.61056868057075 15.999 > 33 70 O 0.76970240464839 0.69918368803524 0.61056868057075 15.999 > 33 71 O 0.23029759535161 0.19918368803524 0.88943131942925 15.999 > 35 72 O 0.23029759535161 0.69918368803524 0.88943131942925 15.999 > 35 73 Si 0.50000000000000 0.32881124724674 0.25000000000000 28.085 > 73 74 Si 0.50000000000000 0.82881124724674 0.25000000000000 28.085 > 73 75 Si 0.50000000000000 0.17118875275326 0.75000000000000 28.085 > 75 76 Si 0.50000000000000 0.67118875275326 0.75000000000000 28.085 > 75 77 Si 0.37109500884352 0.02397109959123 0.25528028263291 28.085 > 77 78 Si 0.37109500884352 0.52397109959123 0.25528028263291 28.085 > 77 79 Si 0.62890499115648 0.02397109959123 0.24471971736709 28.085 > 79 80 Si 0.62890499115648 0.52397109959123 0.24471971736709 28.085 > 79 81 Si 0.62890499115648 0.47602890040877 0.74471971736709 28.085 > 81 82 Si 0.62890499115648 0.97602890040877 0.74471971736709 28.085 > 81 83 Si 0.37109500884352 0.47602890040877 0.75528028263291 28.085 > 83 84 Si 0.37109500884352 0.97602890040877 0.75528028263291 28.085 > 83 85 Si 0.00000000000000 0.07881124724674 0.25000000000000 28.085 > 73 86 Si 0.00000000000000 0.57881124724674 0.25000000000000 28.085 > 73 87 Si 0.00000000000000 0.42118875275326 0.75000000000000 28.085 > 75 88 Si 0.00000000000000 0.92118875275326 0.75000000000000 28.085 > 75 89 Si 0.87109500884352 0.27397109959123 0.25528028263291 28.085 > 77 90 Si 0.87109500884352 0.77397109959123 0.25528028263291 28.085 > 77 91 Si 0.12890499115647 0.27397109959123 0.24471971736709 28.085 > 79 92 Si 0.12890499115647 0.77397109959123 0.24471971736709 28.085 > 79 93 Si 0.12890499115647 0.22602890040877 0.74471971736709 28.085 > 81 94 Si 0.12890499115647 0.72602890040877 0.74471971736709 28.085 > 81 95 Si 0.87109500884352 0.22602890040877 0.75528028263291 28.085 > 83 96 Si 0.87109500884352 0.72602890040877 0.75528028263291 28.085 > 83 97 Ca 0.75000000000000 0.37500000000000 0.50000000000000 40.078 > 97 98 Ca 0.75000000000000 0.87500000000000 0.50000000000000 40.078 > 97 99 Ca 0.75000000000000 0.12500000000000 0.00000000000000 40.078 > 99 100 Ca 0.75000000000000 0.62500000000000 0.00000000000000 40.078 > 99 101 Ca 0.41320823017059 0.12941582737443 0.00092472164599 40.078 > 101 102 Ca 0.41320823017059 0.62941582737443 0.00092472164599 40.078 > 101 103 Ca 0.58679176982941 0.12941582737443 0.49907527835401 40.078 > 103 104 Ca 0.58679176982941 0.62941582737443 0.49907527835401 40.078 > 103 105 Ca 0.58679176982941 0.37058417262557 0.99907527835401 40.078 > 105 106 Ca 0.58679176982941 0.87058417262557 0.99907527835401 40.078 > 105 107 Ca 0.41320823017059 0.37058417262557 0.50092472164599 40.078 > 107 108 Ca 0.41320823017059 0.87058417262557 0.50092472164599 40.078 > 107 109 Ca 0.25000000000000 0.12500000000000 0.50000000000000 40.078 > 97 110 Ca 0.25000000000000 0.62500000000000 0.50000000000000 40.078 > 97 111 Ca 0.25000000000000 0.37500000000000 0.00000000000000 40.078 > 99 112 Ca 0.25000000000000 0.87500000000000 0.00000000000000 40.078 > 99 113 Ca 0.91320823017059 0.37941582737443 0.00092472164599 40.078 > 101 114 Ca 0.91320823017059 0.87941582737443 0.00092472164599 40.078 > 101 115 Ca 0.08679176982941 0.37941582737443 0.49907527835401 40.078 > 103 116 Ca 0.08679176982941 0.87941582737443 0.49907527835401 40.078 > 103 117 Ca 0.08679176982941 0.12058417262557 0.99907527835401 40.078 > 105 118 Ca 0.08679176982941 0.62058417262557 0.99907527835401 40.078 > 105 119 Ca 0.91320823017059 0.12058417262557 0.50092472164599 40.078 > 107 120 Ca 0.91320823017059 0.62058417262557 0.50092472164599 40.078 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8579246 0.0000000 0.0118550 0.0000000 2.8562398 0.0000000 0.0118554 0.0000000 3.0186352 -------------------------- Born effective charges -------------------------- 1 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 2 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 3 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 4 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 5 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 6 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 7 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 8 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 9 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 10 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 11 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 12 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 13 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 14 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 15 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 16 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 17 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 18 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 19 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 20 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 21 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 22 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 23 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 24 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 25 Ca 2.5962356 -0.2221103 0.0944001 -0.2264869 2.2957172 -0.0372423 -0.0198409 0.0302082 2.4427946 26 Ca 2.5962356 0.2221103 0.0944001 0.2264869 2.2957172 0.0372423 -0.0198409 -0.0302082 2.4427946 27 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 28 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 29 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 30 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 77, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:29:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:29:11]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888919335000002 -3.413643180000000 0.000000000000000 b 5.888919335000002 3.413643180000000 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): 1 O 0.35539517029861 0.64460482970139 0.25000000000000 15.999 2 O 0.64460482970139 0.35539517029861 0.75000000000000 15.999 3 O 0.89482815475305 0.00425961150885 0.10353232996688 15.999 4 O 0.99574038849115 0.10517184524695 0.39646767003312 15.999 5 O 0.10517184524695 0.99574038849115 0.89646767003312 15.999 6 O 0.00425961150886 0.89482815475305 0.60353232996688 15.999 7 O 0.58231438473238 0.19166958599873 0.25208412799936 15.999 8 O 0.80833041400127 0.41768561526762 0.24791587200064 15.999 9 O 0.41768561526762 0.80833041400127 0.74791587200064 15.999 10 O 0.19166958599873 0.58231438473238 0.75208412799936 15.999 11 O 0.16806978071888 0.37133502857790 0.11056868057075 15.999 12 O 0.62866497142210 0.83193021928112 0.38943131942925 15.999 13 O 0.46838327352416 0.27633525485398 0.90553103455737 15.999 14 O 0.72366474514602 0.53161672647584 0.59446896544263 15.999 15 O 0.53161672647584 0.72366474514602 0.09446896544263 15.999 16 O 0.27633525485398 0.46838327352416 0.40553103455737 15.999 17 O 0.37133502857790 0.16806978071888 0.61056868057075 15.999 18 O 0.83193021928112 0.62866497142210 0.88943131942925 15.999 19 Si 0.84237750550652 0.15762249449348 0.25000000000000 28.085 20 Si 0.15762249449348 0.84237750550652 0.75000000000000 28.085 21 Si 0.32315280966107 0.41903720802598 0.25528028263291 28.085 22 Si 0.58096279197402 0.67684719033893 0.24471971736709 28.085 23 Si 0.67684719033893 0.58096279197402 0.74471971736709 28.085 24 Si 0.41903720802598 0.32315280966107 0.75528028263291 28.085 25 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 26 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 27 Ca 0.15437657542173 0.67203988491945 0.00092472164599 40.078 28 Ca 0.32796011508054 0.84562342457827 0.49907527835401 40.078 29 Ca 0.84562342457827 0.32796011508054 0.99907527835401 40.078 30 Ca 0.67203988491946 0.15437657542173 0.50092472164599 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.777838670000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.654572720000001 0.000000000000000 c -3.807104184514130 0.000000000000000 9.787615632118968 Atomic positions (fractional): 1 O 0.50000000000000 0.07230241485069 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.57230241485069 0.25000000000000 15.999 > 1 3 O 0.50000000000000 0.42769758514931 0.75000000000000 15.999 > 3 4 O 0.50000000000000 0.92769758514931 0.75000000000000 15.999 > 3 5 O 0.44954388313095 0.27735786418895 0.10353232996688 15.999 > 5 6 O 0.44954388313095 0.77735786418895 0.10353232996688 15.999 > 5 7 O 0.55045611686905 0.27735786418895 0.39646767003312 15.999 > 7 8 O 0.55045611686905 0.77735786418895 0.39646767003312 15.999 > 7 9 O 0.55045611686905 0.22264213581105 0.89646767003312 15.999 > 9 10 O 0.55045611686905 0.72264213581105 0.89646767003312 15.999 > 9 11 O 0.44954388313095 0.22264213581105 0.60353232996688 15.999 > 11 12 O 0.44954388313095 0.72264213581105 0.60353232996688 15.999 > 11 13 O 0.38699198536556 0.40233880031659 0.25208412799936 15.999 > 13 14 O 0.38699198536556 0.90233880031659 0.25208412799936 15.999 > 13 15 O 0.61300801463444 0.40233880031659 0.24791587200064 15.999 > 15 16 O 0.61300801463444 0.90233880031659 0.24791587200064 15.999 > 15 17 O 0.61300801463444 0.09766119968341 0.74791587200064 15.999 > 17 18 O 0.61300801463444 0.59766119968341 0.74791587200064 15.999 > 17 19 O 0.38699198536556 0.09766119968341 0.75208412799936 15.999 > 19 20 O 0.38699198536556 0.59766119968341 0.75208412799936 15.999 > 19 21 O 0.26970240464839 0.05081631196476 0.11056868057075 15.999 > 21 22 O 0.26970240464839 0.55081631196476 0.11056868057075 15.999 > 21 23 O 0.73029759535161 0.05081631196476 0.38943131942925 15.999 > 23 24 O 0.73029759535161 0.55081631196476 0.38943131942925 15.999 > 23 25 O 0.37235926418907 0.45198799533246 0.90553103455737 15.999 > 25 26 O 0.37235926418907 0.95198799533246 0.90553103455737 15.999 > 25 27 O 0.62764073581093 0.45198799533246 0.59446896544263 15.999 > 27 28 O 0.62764073581093 0.95198799533246 0.59446896544263 15.999 > 27 29 O 0.62764073581093 0.04801200466754 0.09446896544263 15.999 > 29 30 O 0.62764073581093 0.54801200466754 0.09446896544263 15.999 > 29 31 O 0.37235926418907 0.04801200466754 0.40553103455737 15.999 > 31 32 O 0.37235926418907 0.54801200466754 0.40553103455737 15.999 > 31 33 O 0.26970240464839 0.44918368803524 0.61056868057075 15.999 > 33 34 O 0.26970240464839 0.94918368803524 0.61056868057075 15.999 > 33 35 O 0.73029759535161 0.44918368803524 0.88943131942925 15.999 > 35 36 O 0.73029759535161 0.94918368803524 0.88943131942925 15.999 > 35 37 O 0.00000000000000 0.32230241485069 0.25000000000000 15.999 > 1 38 O 0.00000000000000 0.82230241485069 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.17769758514931 0.75000000000000 15.999 > 3 40 O 0.00000000000000 0.67769758514931 0.75000000000000 15.999 > 3 41 O 0.94954388313095 0.02735786418895 0.10353232996688 15.999 > 5 42 O 0.94954388313095 0.52735786418895 0.10353232996688 15.999 > 5 43 O 0.05045611686905 0.02735786418895 0.39646767003312 15.999 > 7 44 O 0.05045611686905 0.52735786418895 0.39646767003312 15.999 > 7 45 O 0.05045611686905 0.47264213581105 0.89646767003312 15.999 > 9 46 O 0.05045611686905 0.97264213581105 0.89646767003312 15.999 > 9 47 O 0.94954388313095 0.47264213581105 0.60353232996688 15.999 > 11 48 O 0.94954388313095 0.97264213581105 0.60353232996688 15.999 > 11 49 O 0.88699198536556 0.15233880031659 0.25208412799936 15.999 > 13 50 O 0.88699198536556 0.65233880031659 0.25208412799936 15.999 > 13 51 O 0.11300801463445 0.15233880031659 0.24791587200064 15.999 > 15 52 O 0.11300801463445 0.65233880031659 0.24791587200064 15.999 > 15 53 O 0.11300801463445 0.34766119968341 0.74791587200064 15.999 > 17 54 O 0.11300801463445 0.84766119968341 0.74791587200064 15.999 > 17 55 O 0.88699198536556 0.34766119968341 0.75208412799936 15.999 > 19 56 O 0.88699198536556 0.84766119968341 0.75208412799936 15.999 > 19 57 O 0.76970240464839 0.30081631196476 0.11056868057075 15.999 > 21 58 O 0.76970240464839 0.80081631196476 0.11056868057075 15.999 > 21 59 O 0.23029759535161 0.30081631196476 0.38943131942925 15.999 > 23 60 O 0.23029759535161 0.80081631196476 0.38943131942925 15.999 > 23 61 O 0.87235926418907 0.20198799533246 0.90553103455737 15.999 > 25 62 O 0.87235926418907 0.70198799533246 0.90553103455737 15.999 > 25 63 O 0.12764073581093 0.20198799533246 0.59446896544263 15.999 > 27 64 O 0.12764073581093 0.70198799533246 0.59446896544263 15.999 > 27 65 O 0.12764073581093 0.29801200466754 0.09446896544263 15.999 > 29 66 O 0.12764073581093 0.79801200466754 0.09446896544263 15.999 > 29 67 O 0.87235926418907 0.29801200466754 0.40553103455737 15.999 > 31 68 O 0.87235926418907 0.79801200466754 0.40553103455737 15.999 > 31 69 O 0.76970240464839 0.19918368803524 0.61056868057075 15.999 > 33 70 O 0.76970240464839 0.69918368803524 0.61056868057075 15.999 > 33 71 O 0.23029759535161 0.19918368803524 0.88943131942925 15.999 > 35 72 O 0.23029759535161 0.69918368803524 0.88943131942925 15.999 > 35 73 Si 0.50000000000000 0.32881124724674 0.25000000000000 28.085 > 73 74 Si 0.50000000000000 0.82881124724674 0.25000000000000 28.085 > 73 75 Si 0.50000000000000 0.17118875275326 0.75000000000000 28.085 > 75 76 Si 0.50000000000000 0.67118875275326 0.75000000000000 28.085 > 75 77 Si 0.37109500884352 0.02397109959123 0.25528028263291 28.085 > 77 78 Si 0.37109500884352 0.52397109959123 0.25528028263291 28.085 > 77 79 Si 0.62890499115648 0.02397109959123 0.24471971736709 28.085 > 79 80 Si 0.62890499115648 0.52397109959123 0.24471971736709 28.085 > 79 81 Si 0.62890499115648 0.47602890040877 0.74471971736709 28.085 > 81 82 Si 0.62890499115648 0.97602890040877 0.74471971736709 28.085 > 81 83 Si 0.37109500884352 0.47602890040877 0.75528028263291 28.085 > 83 84 Si 0.37109500884352 0.97602890040877 0.75528028263291 28.085 > 83 85 Si 0.00000000000000 0.07881124724674 0.25000000000000 28.085 > 73 86 Si 0.00000000000000 0.57881124724674 0.25000000000000 28.085 > 73 87 Si 0.00000000000000 0.42118875275326 0.75000000000000 28.085 > 75 88 Si 0.00000000000000 0.92118875275326 0.75000000000000 28.085 > 75 89 Si 0.87109500884352 0.27397109959123 0.25528028263291 28.085 > 77 90 Si 0.87109500884352 0.77397109959123 0.25528028263291 28.085 > 77 91 Si 0.12890499115647 0.27397109959123 0.24471971736709 28.085 > 79 92 Si 0.12890499115647 0.77397109959123 0.24471971736709 28.085 > 79 93 Si 0.12890499115647 0.22602890040877 0.74471971736709 28.085 > 81 94 Si 0.12890499115647 0.72602890040877 0.74471971736709 28.085 > 81 95 Si 0.87109500884352 0.22602890040877 0.75528028263291 28.085 > 83 96 Si 0.87109500884352 0.72602890040877 0.75528028263291 28.085 > 83 97 Ca 0.75000000000000 0.37500000000000 0.50000000000000 40.078 > 97 98 Ca 0.75000000000000 0.87500000000000 0.50000000000000 40.078 > 97 99 Ca 0.75000000000000 0.12500000000000 0.00000000000000 40.078 > 99 100 Ca 0.75000000000000 0.62500000000000 0.00000000000000 40.078 > 99 101 Ca 0.41320823017059 0.12941582737443 0.00092472164599 40.078 > 101 102 Ca 0.41320823017059 0.62941582737443 0.00092472164599 40.078 > 101 103 Ca 0.58679176982941 0.12941582737443 0.49907527835401 40.078 > 103 104 Ca 0.58679176982941 0.62941582737443 0.49907527835401 40.078 > 103 105 Ca 0.58679176982941 0.37058417262557 0.99907527835401 40.078 > 105 106 Ca 0.58679176982941 0.87058417262557 0.99907527835401 40.078 > 105 107 Ca 0.41320823017059 0.37058417262557 0.50092472164599 40.078 > 107 108 Ca 0.41320823017059 0.87058417262557 0.50092472164599 40.078 > 107 109 Ca 0.25000000000000 0.12500000000000 0.50000000000000 40.078 > 97 110 Ca 0.25000000000000 0.62500000000000 0.50000000000000 40.078 > 97 111 Ca 0.25000000000000 0.37500000000000 0.00000000000000 40.078 > 99 112 Ca 0.25000000000000 0.87500000000000 0.00000000000000 40.078 > 99 113 Ca 0.91320823017059 0.37941582737443 0.00092472164599 40.078 > 101 114 Ca 0.91320823017059 0.87941582737443 0.00092472164599 40.078 > 101 115 Ca 0.08679176982941 0.37941582737443 0.49907527835401 40.078 > 103 116 Ca 0.08679176982941 0.87941582737443 0.49907527835401 40.078 > 103 117 Ca 0.08679176982941 0.12058417262557 0.99907527835401 40.078 > 105 118 Ca 0.08679176982941 0.62058417262557 0.99907527835401 40.078 > 105 119 Ca 0.91320823017059 0.12058417262557 0.50092472164599 40.078 > 107 120 Ca 0.91320823017059 0.62058417262557 0.50092472164599 40.078 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8579246 0.0000000 0.0118550 0.0000000 2.8562398 0.0000000 0.0118554 0.0000000 3.0186352 -------------------------- Born effective charges -------------------------- 1 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 2 O -2.5825397 0.0000000 0.0237638 0.0000000 -1.2643096 0.0000000 0.0348330 0.0000000 -1.5276258 3 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 4 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 5 O -1.4131994 -0.0225176 -0.0285824 0.0046304 -1.8974277 -0.4802279 -0.0250524 -0.3823052 -1.9984893 6 O -1.4131994 0.0225176 -0.0285824 -0.0046304 -1.8974277 0.4802279 -0.0250524 0.3823052 -1.9984893 7 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 8 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 9 O -1.5915876 0.5742954 0.0094884 0.5704701 -2.2575427 -0.0082091 0.0106499 -0.0211540 -1.5259945 10 O -1.5915876 -0.5742954 0.0094884 -0.5704701 -2.2575427 0.0082091 0.0106499 0.0211540 -1.5259945 11 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 12 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 13 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 14 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 15 O -1.7622475 -0.2046521 0.4029990 -0.2026868 -1.5350392 0.2344691 0.3147179 0.1861923 -2.0888198 16 O -1.7622475 0.2046521 0.4029990 0.2026868 -1.5350392 -0.2344691 0.3147179 -0.1861923 -2.0888198 17 O -1.7848184 -0.2337691 -0.4406163 -0.2005210 -1.5122559 -0.2521789 -0.3440991 -0.2018999 -2.0197526 18 O -1.7848184 0.2337691 -0.4406163 0.2005210 -1.5122559 0.2521789 -0.3440991 0.2018999 -2.0197526 19 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 20 Si 2.6619887 0.0000000 0.0182079 0.0000000 2.9213879 0.0000000 0.0064133 0.0000000 3.1127532 21 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 22 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 23 Si 2.8632717 -0.1119948 -0.0154185 -0.1056472 2.7410145 -0.0062448 -0.0161036 -0.0018783 3.1474755 24 Si 2.8632717 0.1119948 -0.0154185 0.1056472 2.7410145 0.0062448 -0.0161036 0.0018783 3.1474755 25 Ca 2.5962356 -0.2221103 0.0944001 -0.2264869 2.2957172 -0.0372423 -0.0198409 0.0302082 2.4427946 26 Ca 2.5962356 0.2221103 0.0944001 0.2264869 2.2957172 0.0372423 -0.0198409 -0.0302082 2.4427946 27 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 28 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 29 Ca 2.3507390 -0.1091678 0.0039439 -0.1110887 2.4848532 -0.0136612 0.0491846 0.0170246 2.4716197 30 Ca 2.3507390 0.1091678 0.0039439 0.1110887 2.4848532 0.0136612 0.0491846 -0.0170246 2.4716197 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 289, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 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 2.002 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 14.399 ( 0.000 0.000 0.000) 0.000 14.494 ( 0.000 0.000 0.000) 0.000 14.739 ( 0.000 0.000 0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.536 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 16.805 ( 0.000 0.000 0.000) 0.000 20.748 ( 0.000 0.000 0.000) 0.000 20.750 ( 0.000 0.000 0.000) 0.000 20.767 ( 0.000 0.000 0.000) 0.000 20.775 ( 0.000 0.000 0.000) 0.000 26.902 ( 0.000 0.000 0.000) 0.000 27.108 ( 0.000 0.000 0.000) 0.000 27.226 ( 0.000 0.000 0.000) 0.000 27.334 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 27.412 ( 0.000 0.000 0.000) 0.000 28.737 ( 0.000 0.000 0.000) 0.000 28.816 ( 0.000 0.000 0.000) 0.000 28.852 ( 0.000 0.000 0.000) 0.000 28.867 ( 0.000 0.000 0.000) 0.000 28.955 ( 0.000 0.000 0.000) 0.000 28.995 ( 0.000 0.000 0.000) 0.000 31.161 ( 0.000 0.000 0.000) 0.000 31.436 ( 0.000 0.000 0.000) 0.000 31.572 ( 0.000 0.000 0.000) 0.000 31.764 ( 0.000 0.000 0.000) 0.000 31.916 ( 0.000 0.000 0.000) 0.000 34.252 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 10.445 -32.341 7.994) 34.913 0.868 ( 24.047 -38.664 -4.958) 45.801 1.259 ( 30.551 -49.671 27.763) 64.586 2.092 ( 2.033 -9.720 1.206) 10.004 2.405 ( -7.923 0.759 -5.729) 9.807 2.675 ( 9.366 -8.046 10.152) 15.985 3.179 ( -15.637 7.225 1.243) 17.270 3.398 ( 3.079 -0.676 -4.519) 5.510 3.658 ( -10.271 -8.482 -1.507) 13.405 3.730 ( -1.544 -1.499 -18.773) 18.896 4.072 ( -3.026 0.237 -11.101) 11.509 4.175 ( 1.131 6.967 4.131) 8.178 4.227 ( 3.040 10.589 11.073) 15.620 4.357 ( -12.481 -2.984 8.003) 15.124 4.503 ( 2.117 1.105 2.102) 3.182 4.679 ( 5.401 -1.832 -6.036) 8.304 4.925 ( -2.591 15.335 -0.623) 15.565 4.999 ( 24.146 10.921 -13.194) 29.604 5.053 ( -1.486 -1.768 -7.882) 8.213 5.254 ( 0.995 7.618 -0.389) 7.692 5.371 ( -1.833 -1.731 0.951) 2.694 5.395 ( 0.078 1.321 -2.840) 3.133 5.486 ( -1.270 -0.292 -7.182) 7.300 5.643 ( -1.442 0.538 -1.185) 1.943 5.683 ( -2.145 1.005 6.699) 7.105 6.090 ( -11.809 4.481 2.790) 12.935 6.164 ( -1.041 -9.128 -4.157) 10.084 6.199 ( -1.099 3.672 -4.068) 5.589 6.339 ( -2.448 0.388 -6.615) 7.065 6.443 ( 8.627 5.175 4.941) 11.208 6.746 ( 16.705 -14.410 -5.477) 22.731 6.837 ( 6.133 -0.441 7.817) 9.946 7.197 ( -2.980 3.250 -2.793) 5.219 7.479 ( -2.650 0.396 -21.675) 21.840 7.733 ( -13.955 11.819 51.672) 54.812 8.138 ( -13.859 18.743 5.083) 23.859 8.454 ( -3.333 4.524 1.585) 5.839 8.583 ( -8.662 2.058 1.047) 8.964 8.832 ( -10.601 2.645 -1.472) 11.025 8.886 ( -1.298 2.159 2.577) 3.604 9.081 ( -5.595 12.361 1.406) 13.641 9.121 ( 5.607 13.949 3.199) 15.370 9.424 ( -3.149 -3.562 -9.871) 10.957 9.530 ( 0.963 -4.058 7.791) 8.836 9.601 ( -2.322 -7.736 4.681) 9.335 9.857 ( 10.781 -5.153 2.650) 12.240 9.945 ( 2.752 -1.582 -17.989) 18.267 10.190 ( 8.605 -7.331 7.348) 13.483 10.445 ( 3.568 -9.371 -0.752) 10.056 10.552 ( 2.220 -11.909 5.130) 13.156 10.660 ( 4.492 -1.863 0.410) 4.880 10.714 ( 1.840 -4.736 -0.489) 5.104 11.799 ( 4.955 -0.406 -0.704) 5.022 11.947 ( 2.609 -2.435 0.711) 3.639 12.091 ( 8.853 -14.130 1.299) 16.725 13.254 ( -3.268 4.899 -0.345) 5.899 13.284 ( -3.164 4.681 -0.366) 5.661 13.522 ( -3.271 -3.007 -24.206) 24.610 14.364 ( -3.023 0.921 -3.931) 5.044 14.497 ( 0.768 2.690 7.820) 8.305 14.693 ( -3.329 1.774 -7.278) 8.198 14.818 ( 0.391 4.897 3.656) 6.124 15.484 ( -2.909 4.495 -0.499) 5.377 15.582 ( -0.980 2.073 -0.958) 2.485 15.921 ( -0.458 1.468 7.502) 7.658 16.210 ( 2.802 -7.334 -0.414) 7.862 16.790 ( 0.478 -0.826 -0.075) 0.957 16.833 ( 1.247 -2.725 -0.591) 3.054 20.737 ( -1.452 0.401 0.183) 1.518 20.782 ( 0.775 -1.254 -0.461) 1.545 20.803 ( 2.929 -1.484 0.320) 3.299 21.479 ( -0.715 1.040 -16.104) 16.153 26.966 ( 13.192 7.901 -4.693) 16.078 27.084 ( -4.578 1.141 -1.114) 4.848 27.213 ( 2.178 1.967 2.799) 4.055 27.334 ( 0.042 -0.048 0.046) 0.079 27.337 ( -0.052 -0.068 -0.008) 0.086 27.947 ( -11.810 -6.029 -17.054) 21.603 28.740 ( -3.153 -2.104 1.296) 4.006 28.839 ( -0.337 -2.786 -2.325) 3.644 28.891 ( 2.693 -0.691 0.012) 2.780 28.925 ( 6.942 2.531 0.911) 7.445 29.048 ( 3.514 -7.269 0.723) 8.106 30.200 ( 2.336 -22.049 -111.253) 113.440 31.424 ( -0.348 2.328 12.448) 12.669 31.562 ( -2.663 13.934 63.761) 65.320 31.616 ( -3.489 2.925 34.349) 34.649 31.790 ( 1.832 -1.953 2.134) 3.424 31.957 ( -2.229 5.481 29.859) 30.440 34.141 ( -6.050 9.654 -0.539) 11.406 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 12.278 -29.673 7.644) 33.010 1.646 ( 18.561 -33.302 -4.490) 38.389 2.148 ( 2.873 -20.980 15.617) 26.311 2.269 ( -3.231 1.296 -5.440) 6.458 2.567 ( 22.922 -29.679 16.114) 40.816 2.944 ( -5.775 1.891 2.907) 6.736 3.044 ( 11.866 -13.671 10.147) 20.752 3.387 ( 4.605 4.618 -14.533) 15.929 3.486 ( -7.424 10.336 -17.197) 21.393 3.693 ( -7.375 -0.030 1.240) 7.479 3.937 ( -11.589 0.981 -7.914) 14.067 4.054 ( 0.330 7.824 -2.492) 8.218 4.109 ( -2.097 6.613 4.400) 8.215 4.316 ( -9.183 -1.764 3.785) 10.088 4.519 ( -1.788 0.270 7.816) 8.023 4.578 ( -7.742 16.116 -0.069) 17.880 4.737 ( 10.708 2.006 -5.087) 12.023 5.001 ( -0.062 6.275 -3.249) 7.066 5.108 ( 13.514 1.135 -7.712) 15.601 5.144 ( 1.993 2.122 -5.760) 6.454 5.274 ( 1.026 4.961 -4.626) 6.860 5.407 ( -3.230 -3.053 4.436) 6.279 5.474 ( -8.113 -5.465 -2.992) 10.229 5.645 ( 2.465 1.266 6.824) 7.365 5.758 ( 4.165 -4.686 2.778) 6.857 5.962 ( -2.607 5.457 1.922) 6.346 6.082 ( -0.529 5.116 -4.508) 6.839 6.227 ( 2.449 3.661 -3.501) 5.626 6.255 ( 1.816 2.573 -0.179) 3.154 6.553 ( 1.961 -7.990 4.358) 9.310 6.895 ( -1.175 -1.291 -4.850) 5.155 7.018 ( 11.395 4.058 -3.280) 12.533 7.140 ( 0.776 -2.179 -0.556) 2.378 7.311 ( -3.404 9.885 4.814) 11.510 7.496 ( -13.081 14.790 5.972) 20.628 7.730 ( -20.118 8.886 7.911) 23.373 8.304 ( -3.379 10.601 4.665) 12.064 8.434 ( -7.471 6.026 0.211) 9.601 8.621 ( -9.334 6.355 -5.740) 12.667 8.795 ( -4.941 13.129 2.563) 14.260 8.850 ( -4.762 3.187 3.081) 6.506 9.071 ( 4.031 2.972 0.731) 5.061 9.452 ( 0.870 -5.888 -10.070) 11.697 9.639 ( 1.817 -4.187 2.641) 5.273 9.700 ( -1.663 -4.832 9.057) 10.400 9.955 ( 3.045 -3.584 -16.447) 17.106 10.009 ( 4.162 -4.396 4.464) 7.521 10.418 ( 4.199 -8.304 -1.559) 9.435 10.648 ( 5.883 -9.085 2.382) 11.082 10.758 ( 5.823 -5.335 0.163) 7.899 10.778 ( 4.830 -8.006 1.784) 9.519 10.934 ( 6.995 -15.275 4.497) 17.392 11.876 ( 3.652 -4.141 -0.380) 5.534 12.040 ( 4.047 -4.633 0.981) 6.229 12.444 ( 9.169 -14.774 2.363) 17.548 13.110 ( -3.974 7.888 1.032) 8.893 13.128 ( -5.193 8.578 -1.503) 10.140 13.424 ( -4.200 2.757 -10.480) 11.622 14.300 ( -3.526 1.791 -1.201) 4.133 14.461 ( -0.097 5.289 6.063) 8.046 14.593 ( -3.848 2.354 -6.082) 7.572 14.739 ( -0.559 5.723 1.325) 5.901 15.356 ( -3.950 5.925 -0.844) 7.171 15.519 ( -1.429 3.391 -1.488) 3.969 15.925 ( 0.600 0.975 5.200) 5.324 16.381 ( 3.443 -8.999 -0.293) 9.640 16.834 ( 1.976 -3.391 -0.109) 3.927 16.907 ( 2.140 -4.473 -0.719) 5.011 20.708 ( -1.250 1.802 0.435) 2.236 20.818 ( 1.120 -2.341 -0.783) 2.711 20.873 ( 3.362 -2.910 0.900) 4.537 21.364 ( -3.158 5.151 -7.810) 9.875 26.922 ( 1.883 5.732 -3.499) 6.974 26.992 ( -3.018 2.578 -1.662) 4.303 27.245 ( 4.139 -0.208 4.369) 6.022 27.337 ( 0.194 -0.099 0.231) 0.318 27.338 ( -0.132 -0.078 0.062) 0.165 27.849 ( -6.604 0.392 -12.334) 13.996 28.749 ( -2.960 -1.509 1.681) 3.724 28.873 ( 2.045 -0.594 -1.292) 2.491 28.955 ( 1.934 -4.411 1.565) 5.064 28.987 ( 6.019 -2.646 -1.391) 6.720 29.209 ( 3.678 -6.952 1.167) 7.951 30.158 ( -0.524 -7.466 -47.393) 47.980 31.430 ( -0.632 0.415 5.349) 5.403 31.539 ( -1.585 9.574 39.169) 40.353 31.666 ( -1.573 -2.663 5.151) 6.008 31.887 ( 4.182 -4.977 4.165) 7.720 31.960 ( 0.118 1.796 11.408) 11.550 33.842 ( -10.222 16.223 -1.879) 19.267 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 13.511 -23.508 7.801) 28.214 2.149 ( -2.702 -8.266 -9.310) 12.740 2.286 ( 14.205 -11.148 2.296) 18.203 2.479 ( -4.169 -18.351 16.795) 25.223 2.775 ( -0.416 4.938 2.997) 5.791 3.014 ( -12.668 15.006 -20.740) 28.562 3.218 ( 15.337 1.365 -0.649) 15.411 3.312 ( -8.016 -4.650 -6.807) 11.499 3.480 ( 14.133 -10.684 0.931) 17.741 3.749 ( -0.484 2.064 -1.631) 2.675 3.836 ( -4.649 -8.808 2.988) 10.398 3.949 ( -4.761 1.527 -2.023) 5.394 4.064 ( 7.036 -5.349 5.394) 10.354 4.232 ( -6.264 3.767 5.990) 9.451 4.331 ( -3.283 6.178 -0.911) 7.055 4.519 ( -4.693 0.599 12.297) 13.176 4.767 ( 9.447 5.669 -10.779) 15.413 4.784 ( -6.032 8.063 -1.182) 10.138 5.142 ( -2.614 0.452 -2.495) 3.642 5.166 ( 11.241 1.327 -6.954) 13.285 5.285 ( 2.294 -5.330 -6.156) 8.460 5.387 ( -7.728 -3.563 0.821) 8.549 5.515 ( 0.422 -1.774 -0.312) 1.850 5.703 ( 3.842 2.630 7.544) 8.865 5.830 ( 0.205 1.721 1.905) 2.575 5.918 ( 10.867 1.127 -0.047) 10.925 6.055 ( 3.849 -0.243 6.131) 7.243 6.140 ( -1.145 2.132 -0.111) 2.423 6.301 ( 3.799 -2.500 -3.408) 5.683 6.687 ( -6.226 -6.879 1.941) 9.479 6.749 ( -2.217 16.838 -0.472) 16.990 6.853 ( -13.586 8.397 -3.581) 16.368 7.003 ( 1.326 15.902 5.252) 16.799 7.135 ( -3.819 6.872 -3.792) 8.728 7.397 ( 1.199 -0.763 0.697) 1.583 7.566 ( -10.121 -5.899 0.752) 11.738 8.102 ( -3.656 11.596 5.712) 13.434 8.288 ( -6.494 3.382 0.013) 7.322 8.430 ( -6.021 3.954 -7.809) 10.624 8.578 ( -2.807 11.018 6.419) 13.057 8.767 ( -3.827 2.321 1.084) 4.605 9.062 ( 2.538 1.884 -1.671) 3.576 9.541 ( 1.829 -6.727 -8.555) 11.035 9.698 ( 0.262 -1.336 0.836) 1.598 9.806 ( 0.395 -4.225 8.362) 9.378 9.994 ( 2.452 -4.092 -11.043) 12.029 10.120 ( 1.865 -3.786 3.150) 5.267 10.507 ( 0.205 -3.200 -4.764) 5.742 10.833 ( 3.776 -6.162 1.477) 7.376 10.925 ( 6.184 -5.732 4.746) 9.677 10.958 ( 3.735 -7.939 0.324) 8.779 11.258 ( 7.844 -12.101 2.333) 14.608 11.989 ( 3.519 -5.098 0.034) 6.195 12.182 ( 5.071 -6.978 1.349) 8.731 12.669 ( 1.871 -3.307 1.431) 4.060 12.919 ( -5.905 8.908 -0.440) 10.697 12.985 ( -0.364 3.329 1.045) 3.508 13.281 ( -5.080 5.431 -5.554) 9.282 14.237 ( -2.331 1.761 -0.670) 2.997 14.377 ( -1.816 5.930 4.400) 7.604 14.518 ( -2.517 0.721 -3.430) 4.315 14.641 ( -0.757 5.362 -0.562) 5.444 15.240 ( -2.710 3.513 -0.743) 4.498 15.447 ( -1.111 3.056 -1.350) 3.521 15.938 ( 0.889 0.340 3.585) 3.709 16.539 ( 2.469 -6.507 -0.063) 6.959 16.930 ( 2.962 -4.954 -0.130) 5.774 17.000 ( 2.025 -4.184 -0.369) 4.663 20.662 ( -0.883 2.542 0.695) 2.779 20.872 ( 0.895 -3.408 -0.791) 3.611 20.955 ( 2.947 -2.604 1.296) 4.140 21.210 ( -3.755 6.330 -4.719) 8.742 26.804 ( -3.580 4.591 -1.976) 6.148 26.953 ( 1.174 1.482 -1.741) 2.570 27.311 ( 3.070 -0.943 3.024) 4.411 27.337 ( -0.144 0.001 -0.019) 0.145 27.350 ( 1.677 -0.604 2.666) 3.207 27.729 ( -5.360 2.035 -10.496) 11.960 28.745 ( -2.166 -0.444 1.265) 2.548 28.888 ( 1.827 0.411 -0.508) 1.940 29.071 ( 1.841 -5.729 3.468) 6.946 29.092 ( 5.361 -3.990 -3.200) 7.410 29.331 ( 1.961 -3.928 1.311) 4.582 30.090 ( -1.687 -1.589 -23.017) 23.134 31.436 ( -0.703 -0.376 1.741) 1.915 31.512 ( -0.777 5.990 22.064) 22.876 31.705 ( -1.049 -2.186 0.961) 2.608 31.954 ( 0.619 0.569 3.487) 3.587 32.091 ( 6.413 -8.728 6.655) 12.712 33.443 ( -11.318 17.794 -3.560) 21.386 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.316 0.189 -0.449) 1.403 2.334 ( 7.281 -12.705 4.229) 15.242 2.525 ( 0.972 -3.493 -2.506) 4.407 2.616 ( 2.008 5.257 -4.539) 7.230 2.728 ( -0.905 2.323 -3.477) 4.278 2.862 ( -3.654 -12.705 13.037) 18.567 3.123 ( 0.231 6.720 -10.341) 12.335 3.272 ( -0.479 1.705 -2.748) 3.269 3.648 ( 0.826 -0.419 3.515) 3.635 3.763 ( -1.318 -5.452 -2.480) 6.132 3.830 ( -8.657 0.890 6.853) 11.077 3.953 ( -0.060 1.527 3.788) 4.085 3.996 ( 8.577 3.902 -12.391) 15.567 4.214 ( -1.045 3.094 -3.188) 4.563 4.452 ( 3.284 1.431 6.326) 7.270 4.604 ( -2.062 1.568 8.499) 8.885 4.627 ( -3.556 -11.137 8.252) 14.310 4.725 ( 3.472 3.657 -11.637) 12.682 5.148 ( -5.709 -5.949 -0.139) 8.247 5.232 ( 11.030 -0.626 -3.975) 11.741 5.333 ( 2.015 -0.633 -4.392) 4.874 5.453 ( -2.344 -5.271 9.911) 11.468 5.523 ( 3.307 0.659 -6.786) 7.577 5.637 ( -0.756 4.891 0.813) 5.015 5.865 ( -2.394 -4.485 2.436) 5.638 5.951 ( 10.536 8.096 -2.457) 13.513 6.156 ( 0.976 -2.581 4.472) 5.255 6.196 ( 5.104 -4.851 2.560) 7.492 6.329 ( -3.933 4.161 3.089) 6.506 6.404 ( -5.588 8.296 -3.158) 10.489 6.586 ( -6.941 3.092 -2.453) 7.985 6.678 ( -5.411 5.140 1.195) 7.558 6.845 ( -1.743 2.802 -1.232) 3.523 7.052 ( 1.175 2.045 -1.456) 2.772 7.385 ( -0.739 -0.266 -1.523) 1.714 7.633 ( 0.153 -3.071 0.752) 3.165 7.940 ( -2.198 5.277 2.498) 6.239 8.199 ( -3.719 1.347 0.695) 4.016 8.360 ( -0.926 -2.869 -7.763) 8.328 8.428 ( -1.284 7.947 7.386) 10.925 8.722 ( -1.025 0.662 -0.045) 1.221 9.050 ( 0.895 0.773 -1.073) 1.597 9.619 ( 0.951 -3.606 -4.334) 5.718 9.704 ( -0.308 0.705 1.327) 1.534 9.881 ( 0.144 -1.709 2.831) 3.310 10.039 ( 1.167 -2.049 -3.609) 4.312 10.183 ( 0.580 -1.407 1.145) 1.905 10.525 ( 0.001 -0.879 -2.055) 2.235 10.930 ( 1.495 -2.220 0.279) 2.692 11.047 ( 1.959 -2.295 2.369) 3.836 11.080 ( 1.384 -3.287 0.046) 3.567 11.450 ( 3.241 -3.987 0.584) 5.171 12.082 ( 1.709 -2.475 0.055) 3.008 12.352 ( 4.148 -5.920 1.226) 7.332 12.647 ( -1.130 1.800 -0.163) 2.132 12.741 ( -4.185 6.064 -0.120) 7.369 13.015 ( 2.974 -2.770 1.607) 4.370 13.127 ( -4.630 5.266 -2.746) 7.530 14.214 ( 0.140 -1.098 -1.773) 2.091 14.279 ( -2.199 4.713 2.989) 5.999 14.499 ( -0.974 -1.032 -1.024) 1.750 14.562 ( -0.025 3.108 -0.424) 3.137 15.189 ( -0.817 0.823 -0.264) 1.190 15.399 ( -0.393 1.228 -0.544) 1.399 15.951 ( 0.405 0.034 1.303) 1.365 16.627 ( 0.862 -2.302 0.003) 2.458 17.022 ( 1.690 -2.718 -0.139) 3.204 17.061 ( 0.635 -1.461 0.013) 1.594 20.625 ( -0.314 1.246 0.381) 1.341 20.941 ( 0.654 -4.300 -0.394) 4.368 21.005 ( 1.670 0.681 1.544) 2.374 21.075 ( -2.525 3.820 -2.586) 5.259 26.721 ( -1.538 1.698 -0.700) 2.395 26.941 ( 0.495 0.501 -0.673) 0.974 27.333 ( 0.190 -0.167 0.101) 0.272 27.335 ( -0.020 0.066 -0.033) 0.076 27.418 ( 3.184 -1.362 4.623) 5.776 27.618 ( -3.532 1.687 -6.398) 7.500 28.738 ( -0.818 -0.119 0.493) 0.962 28.893 ( 0.704 0.248 -0.164) 0.764 29.167 ( 1.186 -2.035 2.263) 3.267 29.176 ( 2.014 -2.588 -2.052) 3.868 29.384 ( 0.470 -0.991 0.736) 1.321 30.026 ( -1.022 0.229 -7.279) 7.354 31.441 ( -0.336 -0.343 0.012) 0.480 31.495 ( -0.195 2.167 7.523) 7.831 31.725 ( -0.371 -0.796 0.151) 0.891 31.960 ( 0.272 0.198 0.972) 1.028 32.320 ( 5.109 -7.458 4.054) 9.907 33.085 ( -6.952 10.802 -3.060) 13.205 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 32.928 0.000 20.535) 38.806 0.842 ( 48.247 0.000 -10.680) 49.414 1.388 ( 53.108 0.000 48.834) 72.148 2.043 ( 2.572 0.000 1.813) 3.147 2.202 ( -6.347 -0.000 -8.792) 10.844 2.801 ( 12.978 0.000 15.288) 20.054 3.037 ( -6.484 -0.000 7.473) 9.894 3.355 ( -19.852 -0.000 -7.905) 21.368 3.576 ( 1.133 0.000 -13.379) 13.427 3.698 ( 21.706 0.000 -1.982) 21.796 3.965 ( -6.611 -0.000 -19.142) 20.251 4.217 ( -5.814 -0.000 -2.576) 6.359 4.256 ( -8.106 -0.000 19.030) 20.684 4.399 ( -3.510 -0.000 6.486) 7.375 4.591 ( 6.144 0.000 -15.966) 17.107 4.649 ( 4.051 0.000 4.872) 6.337 4.986 ( -2.984 -0.000 -1.134) 3.192 5.116 ( -7.156 -0.000 -5.433) 8.985 5.149 ( -4.493 -0.000 -4.868) 6.625 5.295 ( 13.961 0.000 -33.743) 36.517 5.327 ( -6.050 -0.000 -1.707) 6.286 5.348 ( -1.029 -0.000 -4.753) 4.863 5.480 ( 2.568 0.000 -0.859) 2.708 5.690 ( -5.558 -0.000 7.374) 9.234 5.750 ( 6.781 0.000 -7.582) 10.171 5.812 ( -11.073 -0.000 -2.002) 11.253 6.091 ( -4.007 -0.000 -0.093) 4.008 6.161 ( -3.202 -0.000 -7.827) 8.457 6.470 ( 12.307 0.000 -10.663) 16.283 6.565 ( 8.149 0.000 4.866) 9.491 6.655 ( 11.140 0.000 11.964) 16.347 6.985 ( 2.302 0.000 0.483) 2.352 7.179 ( -3.524 -0.000 -5.114) 6.211 7.357 ( 0.349 0.000 -14.747) 14.751 7.867 ( -37.054 -0.000 71.565) 80.589 8.184 ( -24.351 -0.000 8.915) 25.932 8.408 ( -7.255 -0.000 -1.268) 7.365 8.513 ( -5.493 -0.000 1.432) 5.677 8.757 ( -8.184 -0.000 -1.674) 8.354 8.874 ( -3.252 -0.000 -3.783) 4.989 9.083 ( -22.925 -0.000 12.141) 25.941 9.329 ( -2.912 -0.000 -1.059) 3.098 9.355 ( 3.425 0.000 -6.589) 7.426 9.501 ( 5.540 0.000 1.520) 5.745 9.563 ( 0.936 0.000 8.892) 8.941 9.850 ( 1.046 0.000 -20.005) 20.033 10.084 ( 23.845 0.000 -2.220) 23.948 10.236 ( 7.990 0.000 10.209) 12.963 10.413 ( 7.793 0.000 1.992) 8.044 10.480 ( 2.917 0.000 8.095) 8.605 10.697 ( 2.479 0.000 -0.409) 2.513 10.708 ( 7.692 0.000 0.102) 7.693 11.896 ( 2.399 0.000 0.416) 2.435 11.949 ( 3.999 0.000 -0.623) 4.047 12.094 ( 16.537 0.000 2.521) 16.728 13.188 ( -0.289 -0.000 -13.535) 13.538 13.277 ( -5.896 -0.000 -0.505) 5.917 13.368 ( 6.794 0.000 -26.771) 27.620 14.325 ( -3.768 -0.000 -3.069) 4.860 14.555 ( -0.023 -0.000 9.542) 9.542 14.640 ( -3.945 -0.000 -10.359) 11.085 14.864 ( -2.525 -0.000 2.999) 3.921 15.476 ( -5.585 -0.000 -0.954) 5.666 15.581 ( -2.190 -0.000 -1.046) 2.427 15.964 ( -2.456 -0.000 11.794) 12.047 16.187 ( 5.897 0.000 -0.944) 5.972 16.790 ( 0.849 0.000 -0.035) 0.850 16.826 ( 2.670 0.000 -1.038) 2.864 20.757 ( 1.039 0.000 0.145) 1.049 20.786 ( 1.400 0.000 -0.634) 1.537 20.796 ( 2.383 0.000 0.057) 2.384 21.398 ( 5.201 0.000 -25.090) 25.623 27.046 ( -5.680 -0.000 -0.975) 5.763 27.203 ( -1.162 -0.000 -2.115) 2.413 27.334 ( -0.002 -0.000 0.053) 0.053 27.335 ( -0.148 -0.000 -0.038) 0.153 27.391 ( -0.757 -0.000 -3.796) 3.871 27.500 ( 13.792 0.000 -28.451) 31.618 28.725 ( -0.964 -0.000 -0.432) 1.056 28.765 ( -1.093 -0.000 -1.128) 1.571 28.945 ( 4.074 0.000 -0.582) 4.115 28.976 ( 2.127 0.000 -0.056) 2.127 29.080 ( 7.817 0.000 2.679) 8.263 29.728 ( 31.895 0.000 -80.945) 87.002 31.436 ( 0.210 0.000 0.139) 0.252 31.571 ( 0.534 0.000 -1.632) 1.717 31.805 ( 2.809 0.000 3.453) 4.451 31.818 ( -4.621 -0.000 12.767) 13.577 32.290 ( -47.463 -0.000 119.773) 128.834 34.131 ( -12.182 -0.000 -1.068) 12.229 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 29.401 -9.988 15.985) 34.924 1.465 ( 35.959 -19.152 -0.757) 40.748 2.071 ( 16.704 -7.666 13.774) 22.967 2.113 ( -0.638 -6.163 -7.767) 9.936 2.431 ( 24.717 -24.789 27.119) 44.282 2.918 ( -7.636 1.125 8.963) 11.828 3.088 ( 15.040 -3.741 11.608) 19.363 3.208 ( -15.017 -7.244 -17.155) 23.922 3.514 ( 1.970 3.405 -3.794) 5.466 3.781 ( -8.673 6.531 -15.356) 18.807 3.852 ( 9.197 3.911 -2.720) 10.357 4.124 ( -7.111 1.819 -7.725) 10.656 4.208 ( -9.221 5.663 7.720) 13.293 4.267 ( -5.599 5.172 8.113) 11.132 4.526 ( 1.340 1.389 -7.978) 8.209 4.706 ( -4.638 4.521 -1.943) 6.762 4.828 ( -0.320 7.543 0.152) 7.551 5.023 ( -0.781 -0.880 -0.915) 1.490 5.180 ( -8.138 0.577 -10.319) 13.155 5.222 ( -3.266 1.221 -5.047) 6.134 5.247 ( 4.239 2.045 -9.313) 10.435 5.340 ( 1.108 -5.185 1.262) 5.450 5.436 ( 1.840 9.090 -6.986) 11.611 5.623 ( 1.070 -5.349 -0.461) 5.475 5.785 ( 6.447 0.180 9.204) 11.238 5.977 ( -5.840 -5.819 0.660) 8.271 6.051 ( -0.563 -6.764 -12.805) 14.492 6.112 ( -0.905 -1.145 -2.126) 2.579 6.413 ( 6.692 10.786 -4.232) 13.380 6.681 ( 10.225 4.457 6.248) 12.784 6.797 ( 0.898 -3.814 -0.417) 3.940 7.065 ( -1.840 -6.157 -1.160) 6.530 7.165 ( 11.081 -2.351 -1.695) 11.454 7.236 ( -13.822 5.708 -2.312) 15.132 7.640 ( -26.712 9.324 27.167) 39.224 7.865 ( -17.008 15.512 10.891) 25.466 8.339 ( -10.401 -0.145 1.552) 10.517 8.425 ( -10.111 3.110 1.456) 10.678 8.624 ( -7.926 6.069 -4.206) 10.833 8.825 ( -6.657 0.405 -1.384) 6.812 8.884 ( -14.311 4.243 4.255) 15.521 9.173 ( 0.229 10.106 0.087) 10.109 9.371 ( 4.698 -1.402 -7.437) 8.907 9.606 ( 3.544 -4.085 1.548) 5.625 9.648 ( 1.938 -3.944 10.504) 11.386 9.856 ( 3.244 -5.032 -17.536) 18.530 10.146 ( 13.385 7.934 4.490) 16.194 10.373 ( 7.569 -2.937 -1.329) 8.227 10.558 ( 6.239 -6.755 3.770) 9.938 10.712 ( 7.730 -9.965 3.779) 13.165 10.751 ( 5.031 -3.070 0.400) 5.907 10.853 ( 12.371 -9.050 3.343) 15.689 11.895 ( 6.073 0.813 -0.957) 6.202 12.033 ( 4.971 -2.851 1.026) 5.822 12.364 ( 16.076 -9.671 3.717) 19.125 13.134 ( -8.662 1.026 -0.713) 8.751 13.169 ( -7.887 4.644 -1.139) 9.223 13.330 ( -1.105 -0.805 -17.909) 17.961 14.281 ( -3.733 0.283 0.298) 3.755 14.542 ( -2.537 2.644 -6.285) 7.275 14.566 ( -2.457 1.896 4.190) 5.214 14.802 ( -4.589 3.705 1.385) 6.058 15.382 ( -6.440 3.453 -1.313) 7.424 15.536 ( -2.666 1.772 -1.767) 3.656 15.972 ( -0.130 1.620 7.887) 8.053 16.302 ( 6.752 -6.056 -0.554) 9.087 16.816 ( 2.600 -1.609 -0.007) 3.057 16.874 ( 3.787 -2.520 -1.262) 4.721 20.753 ( 1.973 2.123 0.729) 2.989 20.800 ( 1.588 -0.855 -0.979) 2.052 20.850 ( 2.218 -2.758 0.342) 3.556 21.344 ( -2.313 0.906 -12.872) 13.109 26.958 ( -6.984 2.811 -0.794) 7.570 27.105 ( 5.221 8.837 -6.927) 12.383 27.282 ( 1.219 1.104 3.665) 4.017 27.335 ( -0.068 -0.016 -0.070) 0.099 27.336 ( -0.018 -0.193 0.141) 0.240 27.674 ( -1.846 -8.071 -17.268) 19.150 28.708 ( -1.422 -1.248 1.412) 2.361 28.835 ( 1.352 -5.989 -2.660) 6.691 28.942 ( 3.366 1.091 -0.679) 3.603 29.041 ( 5.120 -0.555 0.921) 5.231 29.178 ( 7.873 -2.608 1.851) 8.498 29.842 ( 10.982 -11.043 -46.488) 49.027 31.432 ( 0.316 0.831 -0.371) 0.963 31.595 ( 0.972 -2.544 -1.742) 3.232 31.793 ( -4.273 4.029 16.849) 17.843 31.875 ( 4.098 -2.941 4.906) 7.036 32.151 ( -17.022 11.970 58.314) 61.916 33.914 ( -16.398 8.679 -2.491) 18.720 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 18.681 -16.461 13.083) 28.127 1.974 ( 10.403 -11.643 -1.967) 15.737 2.227 ( 9.406 -11.762 -5.260) 15.953 2.334 ( 8.257 -8.686 15.083) 19.265 2.835 ( -5.257 0.806 0.772) 5.374 2.988 ( -9.113 3.217 -20.135) 22.334 3.130 ( 16.658 -8.837 4.309) 19.343 3.372 ( -8.526 0.462 -3.732) 9.318 3.548 ( 5.278 1.095 3.966) 6.693 3.648 ( 19.583 -14.208 16.034) 29.025 3.779 ( -0.849 5.719 -2.269) 6.211 3.948 ( -7.131 5.807 -14.216) 16.931 4.067 ( -6.259 0.487 9.802) 11.640 4.223 ( -3.287 1.617 2.756) 4.584 4.480 ( 1.646 7.875 1.628) 8.209 4.507 ( -9.210 2.700 5.956) 11.296 4.810 ( -1.433 0.925 -0.427) 1.758 4.920 ( -0.609 10.317 -9.171) 13.817 5.113 ( -2.578 -1.567 -9.079) 9.567 5.135 ( -5.377 -2.970 -4.448) 7.584 5.267 ( 4.901 -2.288 -5.620) 7.800 5.333 ( 3.633 3.398 -6.577) 8.247 5.472 ( 4.160 -3.622 4.169) 6.914 5.754 ( -1.498 -7.505 2.501) 8.052 5.886 ( 9.214 1.594 8.329) 12.522 5.895 ( -1.063 0.917 -12.269) 12.349 6.139 ( 5.160 -1.156 5.074) 7.329 6.158 ( -3.880 -0.132 -1.495) 4.161 6.328 ( 0.558 -4.047 -7.160) 8.244 6.641 ( 6.798 13.023 9.800) 17.660 6.809 ( -4.268 -1.058 -7.546) 8.733 6.878 ( -23.541 12.814 4.144) 27.121 7.089 ( 0.942 -1.525 -4.066) 4.444 7.349 ( -20.068 6.445 6.761) 22.135 7.432 ( 10.932 -5.771 -0.827) 12.389 7.488 ( -2.773 17.726 11.029) 21.061 8.181 ( -12.407 6.839 -1.194) 14.218 8.284 ( -8.775 2.216 2.993) 9.533 8.430 ( -5.858 5.973 -4.821) 9.656 8.694 ( -11.660 4.217 6.989) 14.233 8.748 ( -3.981 3.376 -2.054) 5.609 9.066 ( -2.255 3.078 -1.174) 3.992 9.441 ( 5.004 -4.824 -7.580) 10.284 9.694 ( 2.619 -1.852 3.210) 4.538 9.778 ( 2.734 -4.481 7.849) 9.442 9.922 ( 5.412 -4.792 -12.907) 14.793 10.175 ( 8.892 3.122 2.774) 9.824 10.460 ( 3.410 -2.312 -2.181) 4.662 10.739 ( 3.709 -7.742 1.275) 8.679 10.874 ( 2.567 -6.682 0.784) 7.200 10.898 ( 6.272 -5.993 1.613) 8.823 11.218 ( 17.195 -11.582 4.719) 21.262 11.977 ( 7.438 -2.783 -0.739) 7.976 12.146 ( 5.974 -4.443 1.074) 7.522 12.638 ( 7.443 -6.037 3.459) 10.189 12.979 ( -8.916 6.715 -0.792) 11.190 13.013 ( -7.086 3.885 0.454) 8.094 13.232 ( -7.869 1.220 -9.630) 12.496 14.242 ( -2.903 1.334 1.986) 3.761 14.452 ( -2.303 2.237 -5.186) 6.099 14.505 ( -2.927 4.234 3.318) 6.124 14.692 ( -4.825 4.003 0.148) 6.271 15.262 ( -4.416 3.494 -1.240) 5.766 15.470 ( -2.289 2.382 -2.018) 3.872 15.971 ( 0.144 1.433 5.019) 5.222 16.470 ( 5.660 -6.568 0.179) 8.672 16.894 ( 4.425 -3.694 0.100) 5.765 16.961 ( 4.137 -3.725 -0.943) 5.646 20.728 ( 2.094 3.771 1.246) 4.490 20.832 ( 1.030 -2.028 -1.140) 2.545 20.925 ( 1.833 -3.674 0.716) 4.168 21.234 ( -4.412 3.687 -6.949) 9.020 26.836 ( -5.318 4.185 0.093) 6.768 27.015 ( 3.680 4.991 -4.630) 7.739 27.315 ( -0.189 -1.776 2.696) 3.234 27.334 ( -0.192 -0.121 0.055) 0.234 27.345 ( -0.580 -1.302 1.345) 1.960 27.654 ( -2.112 -0.412 -12.747) 12.927 28.728 ( -0.743 -1.086 1.607) 2.077 28.926 ( 4.794 -1.742 -3.577) 6.230 28.994 ( 1.737 -4.985 0.388) 5.293 29.109 ( 7.254 -0.560 1.164) 7.368 29.295 ( 3.360 -3.641 1.627) 5.214 29.910 ( 1.210 -6.966 -26.216) 27.153 31.413 ( -0.147 0.684 -3.240) 3.315 31.644 ( 1.875 -1.060 1.471) 2.608 31.741 ( -4.248 5.113 20.357) 21.415 32.003 ( 2.597 -2.535 9.057) 9.757 32.072 ( -1.425 1.905 18.922) 19.071 33.552 ( -17.331 13.523 -4.608) 22.460 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -1.688 -6.812 -4.718) 8.456 2.256 ( 5.575 -14.718 5.070) 16.535 2.466 ( 9.719 -4.249 -3.468) 11.160 2.642 ( -0.430 -6.994 2.549) 7.457 2.718 ( 5.403 5.551 0.014) 7.746 2.804 ( -4.266 -0.934 0.393) 4.384 3.091 ( -1.248 4.219 -2.621) 5.121 3.506 ( 6.569 4.950 1.594) 8.378 3.552 ( -0.286 -5.701 6.402) 8.577 3.686 ( -0.120 -3.337 -6.868) 7.637 3.764 ( -6.146 3.205 -1.595) 7.112 3.971 ( 1.369 -2.680 4.561) 5.464 4.137 ( 3.219 5.660 -9.114) 11.201 4.261 ( 4.307 0.253 2.837) 5.163 4.395 ( -12.558 -1.097 -1.614) 12.709 4.523 ( 11.058 -8.790 19.222) 23.855 4.690 ( -4.792 7.090 8.624) 12.149 4.781 ( 1.160 4.337 -10.752) 11.652 5.025 ( -2.987 -0.826 0.351) 3.119 5.258 ( 3.442 -8.294 -9.594) 13.141 5.312 ( 9.029 0.701 -14.439) 17.045 5.371 ( 0.204 -5.703 5.305) 7.792 5.527 ( 2.291 1.235 0.246) 2.614 5.742 ( -3.624 1.469 -2.520) 4.652 5.862 ( 0.946 10.437 4.869) 11.556 5.970 ( 0.394 -9.586 -6.160) 11.402 6.138 ( 0.787 0.487 -0.647) 1.129 6.233 ( 4.583 -3.750 1.425) 6.091 6.400 ( -7.235 -1.739 -0.955) 7.502 6.462 ( -3.356 13.283 3.114) 14.050 6.555 ( -9.155 0.110 5.683) 10.776 6.685 ( -0.067 11.311 -1.703) 11.438 7.001 ( -10.689 8.473 1.719) 13.748 7.142 ( 6.132 10.913 4.958) 13.464 7.262 ( -8.378 -4.655 -4.155) 10.446 7.682 ( 12.076 -3.053 1.502) 12.547 7.944 ( -12.167 4.835 -3.898) 13.660 8.207 ( -4.303 1.458 5.108) 6.836 8.311 ( -1.847 1.366 -6.051) 6.472 8.562 ( -6.387 4.884 8.732) 11.870 8.667 ( -5.265 0.775 1.328) 5.485 9.000 ( -5.312 -0.707 -4.183) 6.799 9.548 ( 4.668 -5.201 -6.332) 9.430 9.738 ( 1.641 0.729 5.209) 5.510 9.882 ( 4.362 -1.887 0.474) 4.776 10.014 ( 4.750 -3.785 -3.296) 6.911 10.217 ( 6.450 1.589 -0.682) 6.678 10.509 ( 1.557 -1.381 1.072) 2.342 10.870 ( 1.031 -5.101 -1.052) 5.309 10.989 ( -1.273 -5.744 -0.054) 5.884 11.040 ( 4.591 -4.146 0.246) 6.190 11.505 ( 13.774 -2.772 2.943) 14.355 12.094 ( 7.844 -1.981 -0.518) 8.107 12.303 ( 6.535 -6.619 1.206) 9.379 12.673 ( -2.009 3.509 0.346) 4.059 12.796 ( -6.504 6.538 0.002) 9.222 12.957 ( -4.135 -3.584 1.157) 5.593 13.088 ( -11.078 1.481 -4.512) 12.053 14.208 ( -0.372 0.739 0.200) 0.851 14.364 ( -2.266 6.104 3.193) 7.251 14.445 ( -2.745 -1.314 -2.640) 4.029 14.595 ( -3.790 2.711 -0.182) 4.663 15.193 ( -1.439 1.188 -0.637) 1.972 15.411 ( -1.407 1.614 -1.487) 2.607 15.964 ( -0.496 0.994 2.429) 2.671 16.602 ( 3.822 -3.683 0.439) 5.325 17.000 ( 4.148 -3.334 0.152) 5.324 17.048 ( 3.181 -2.350 -0.365) 3.971 20.683 ( 1.908 4.224 0.764) 4.697 20.879 ( 0.492 -3.404 -0.642) 3.499 20.997 ( 0.963 -2.889 0.913) 3.179 21.109 ( -3.517 4.329 -3.511) 6.591 26.744 ( -2.048 2.732 1.326) 3.663 26.968 ( 1.669 2.471 -2.705) 4.026 27.329 ( -0.314 -0.313 -0.141) 0.465 27.336 ( -0.006 -0.060 0.100) 0.117 27.377 ( -4.199 -3.410 -0.076) 5.409 27.602 ( 0.922 0.707 -5.020) 5.153 28.740 ( 0.544 -0.049 1.172) 1.293 28.954 ( 5.986 2.337 -3.602) 7.366 29.112 ( 0.925 -6.149 1.809) 6.476 29.188 ( 6.285 -0.121 -0.658) 6.321 29.361 ( -0.436 -2.102 1.634) 2.698 29.923 ( -2.787 -5.255 -11.997) 13.391 31.386 ( -0.631 -0.128 -7.379) 7.407 31.637 ( -0.612 5.749 14.171) 15.305 31.735 ( 0.944 0.027 6.425) 6.494 32.001 ( -0.015 3.080 7.121) 7.758 32.238 ( 4.084 -8.996 4.705) 10.943 33.161 ( -13.914 11.964 -5.577) 19.179 ======================= Grid point 14 (10/115) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.624 -5.099 -5.225) 7.327 2.306 ( -14.829 3.197 -19.560) 24.753 2.526 ( 7.534 -7.630 4.707) 11.711 2.710 ( 8.531 1.439 15.549) 17.794 2.749 ( -3.385 1.311 -0.546) 3.671 2.914 ( -0.569 -5.127 12.259) 13.300 3.065 ( 6.445 6.095 2.198) 9.139 3.457 ( 7.555 7.565 0.508) 10.704 3.648 ( -9.792 -10.438 11.057) 18.085 3.728 ( 8.573 1.427 -3.765) 9.471 3.788 ( 2.404 -6.120 -5.865) 8.810 3.909 ( -1.253 4.354 -6.751) 8.131 4.128 ( 6.338 7.088 0.653) 9.531 4.204 ( -1.159 1.905 5.272) 5.724 4.275 ( -12.032 -4.464 -12.288) 17.767 4.586 ( 0.689 -0.654 1.953) 2.172 4.721 ( -2.460 1.462 7.483) 8.012 4.777 ( 4.200 1.954 -3.847) 6.021 5.079 ( -2.230 -3.859 3.742) 5.820 5.302 ( -0.370 3.266 -6.562) 7.339 5.338 ( 3.620 -1.143 -5.541) 6.717 5.462 ( -0.479 -2.407 -4.229) 4.889 5.509 ( -2.405 1.402 4.477) 5.272 5.646 ( -4.172 3.744 -1.282) 5.751 5.739 ( -5.160 1.319 1.474) 5.526 6.010 ( 6.465 5.031 -6.344) 10.361 6.114 ( -8.310 -4.827 -5.616) 11.131 6.224 ( -2.572 5.985 -3.972) 7.629 6.278 ( 0.821 1.989 1.582) 2.671 6.472 ( 12.003 0.924 4.129) 12.727 6.539 ( -2.941 -0.087 10.598) 10.999 6.618 ( 1.791 -5.278 -3.238) 6.446 6.875 ( -11.710 -5.590 7.882) 15.182 7.064 ( 8.259 7.825 2.856) 11.730 7.320 ( -0.444 -6.298 -3.315) 7.131 7.744 ( 2.639 3.042 -1.377) 4.256 7.835 ( -1.392 -2.155 -5.731) 6.279 8.211 ( 0.700 -2.017 5.170) 5.594 8.309 ( 1.153 -4.317 -7.584) 8.803 8.475 ( -0.002 5.789 8.264) 10.090 8.644 ( -7.256 -4.216 3.510) 9.097 8.961 ( -6.977 -3.366 -3.391) 8.456 9.637 ( 3.936 -2.666 -4.028) 6.231 9.744 ( 0.934 2.713 7.767) 8.280 9.914 ( 3.460 1.772 -5.142) 6.446 10.089 ( 3.184 0.089 4.975) 5.908 10.228 ( 4.637 2.582 -3.942) 6.612 10.546 ( 0.918 -0.401 5.021) 5.120 10.908 ( -2.155 -1.158 -3.275) 4.087 11.013 ( -4.736 -0.915 -2.598) 5.479 11.107 ( 1.972 0.059 -0.381) 2.009 11.580 ( 7.917 6.743 1.316) 10.482 12.148 ( 5.260 3.566 -0.473) 6.372 12.405 ( 0.592 2.783 -0.399) 2.873 12.630 ( -0.773 -0.657 -0.254) 1.046 12.690 ( -0.208 -2.008 0.271) 2.037 12.966 ( -9.964 -0.558 -1.728) 10.128 13.025 ( -3.127 -8.375 1.257) 9.028 14.226 ( 1.991 -1.747 -0.517) 2.698 14.271 ( -0.427 3.737 1.871) 4.201 14.461 ( -2.466 -3.770 0.149) 4.507 14.539 ( -2.145 0.364 -0.443) 2.220 15.183 ( 0.310 -0.531 -0.065) 0.619 15.386 ( -0.512 -0.251 -0.535) 0.782 15.945 ( -1.287 0.805 0.031) 1.518 16.658 ( 1.951 0.483 0.379) 2.046 17.052 ( 1.278 0.943 0.258) 1.609 17.083 ( 1.698 0.624 -0.148) 1.815 20.648 ( 2.458 2.285 0.017) 3.356 20.940 ( -1.218 -3.749 -0.687) 4.001 21.002 ( -1.847 4.015 -0.387) 4.436 21.052 ( 1.146 -2.377 0.796) 2.757 26.726 ( 1.287 -0.141 2.594) 2.899 26.943 ( 0.418 0.896 -1.180) 1.539 27.323 ( -3.213 -0.466 -2.431) 4.056 27.335 ( -0.085 0.008 -0.013) 0.086 27.353 ( -3.950 -0.780 -3.351) 5.238 27.638 ( 3.405 -2.382 3.829) 5.650 28.754 ( 1.908 0.137 0.698) 2.037 28.947 ( 5.730 3.485 -3.399) 7.518 29.179 ( -1.935 0.431 3.282) 3.834 29.208 ( 3.093 1.685 -2.466) 4.300 29.372 ( -1.910 -0.664 -0.129) 2.026 29.975 ( -2.027 -7.059 0.726) 7.380 31.352 ( -0.968 -1.124 -12.475) 12.562 31.586 ( -0.301 5.507 11.623) 12.865 31.768 ( 3.254 1.249 3.991) 5.299 31.978 ( 0.352 2.110 2.097) 2.996 32.335 ( -4.705 1.465 -2.623) 5.582 32.984 ( -1.439 -4.940 -0.688) 5.191 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -16.631 5.848 -15.335) 23.366 2.100 ( 1.167 -0.327 -2.797) 3.048 2.624 ( -0.144 18.806 14.542) 23.773 2.709 ( 3.465 0.294 0.284) 3.489 2.791 ( 9.557 7.237 4.139) 12.682 2.959 ( -6.401 -5.308 2.568) 8.703 3.043 ( 8.456 -3.330 9.521) 13.162 3.456 ( 3.368 3.220 -1.923) 5.041 3.627 ( -0.056 7.798 -1.420) 7.926 3.736 ( -5.760 4.159 2.464) 7.519 3.856 ( 3.714 -4.212 2.300) 6.069 3.959 ( 3.402 -10.744 -6.755) 13.139 4.072 ( -1.080 9.676 2.440) 10.037 4.190 ( -2.593 -3.833 -12.898) 13.703 4.289 ( 0.267 -7.368 11.441) 13.611 4.541 ( -8.318 10.208 -4.105) 13.793 4.693 ( 1.966 -4.310 -6.253) 7.845 4.743 ( 6.779 -0.236 4.536) 8.160 5.031 ( -8.550 -1.195 0.100) 8.633 5.181 ( -2.559 4.607 -7.204) 8.926 5.350 ( -2.075 3.414 2.919) 4.947 5.456 ( -4.540 -0.363 -2.364) 5.132 5.507 ( 7.427 -2.168 1.525) 7.886 5.652 ( -6.133 -5.521 1.686) 8.422 5.742 ( -0.201 -3.949 5.432) 6.719 5.872 ( 2.793 11.256 -7.773) 13.961 6.028 ( -8.746 1.835 -1.864) 9.129 6.139 ( 1.926 2.597 -5.546) 6.420 6.375 ( 1.981 -4.429 -0.977) 4.949 6.446 ( -2.440 -4.263 0.368) 4.926 6.702 ( 1.116 -3.376 -2.065) 4.112 6.769 ( 4.164 -11.181 5.959) 13.336 6.932 ( -8.973 -8.443 3.635) 12.845 7.113 ( 13.916 1.526 8.064) 16.156 7.415 ( 5.809 -4.250 -2.346) 7.570 7.730 ( 5.660 3.612 -0.066) 6.714 7.887 ( -1.227 -9.823 -8.849) 13.278 8.297 ( 3.832 -2.863 1.995) 5.183 8.402 ( -0.109 -8.536 -3.747) 9.322 8.471 ( 5.512 -1.020 4.945) 7.475 8.693 ( -4.040 -6.819 3.074) 8.501 8.947 ( -8.230 -4.412 -1.099) 9.403 9.661 ( 2.719 3.574 1.462) 4.723 9.732 ( -0.005 2.528 6.821) 7.275 9.851 ( 0.929 4.866 -8.747) 10.053 10.103 ( 1.568 4.312 10.756) 11.693 10.191 ( 3.738 4.486 -6.346) 8.623 10.573 ( 0.905 1.286 7.468) 7.632 10.837 ( -6.369 3.299 -6.651) 9.782 10.924 ( -5.245 3.370 -3.160) 6.989 11.064 ( -0.315 6.143 -0.158) 6.154 11.458 ( 2.546 14.332 0.106) 14.557 12.079 ( 1.238 7.469 -0.430) 7.583 12.263 ( -3.487 8.591 -1.241) 9.354 12.676 ( 1.940 -2.457 -0.143) 3.134 12.820 ( 3.656 -8.464 -0.032) 9.219 12.903 ( -6.901 -2.683 -1.052) 7.478 13.177 ( -0.749 -11.069 2.008) 11.274 14.242 ( 1.265 -0.160 2.096) 2.454 14.302 ( 2.202 -3.742 -2.948) 5.248 14.508 ( -1.216 -3.416 2.396) 4.346 14.557 ( -0.237 -4.318 -0.347) 4.338 15.212 ( 1.186 -2.265 0.262) 2.571 15.407 ( 0.157 -2.587 0.292) 2.608 15.917 ( -1.579 0.529 -1.648) 2.343 16.626 ( 0.322 4.901 0.248) 4.917 16.997 ( -0.966 5.257 0.230) 5.350 17.057 ( 0.093 3.649 0.005) 3.650 20.662 ( 3.795 -0.265 -0.020) 3.804 20.915 ( -3.396 2.484 -0.593) 4.249 20.946 ( -2.117 1.468 -0.666) 2.661 21.149 ( 2.835 -6.170 2.473) 7.226 26.785 ( 2.996 -2.720 3.302) 5.223 26.940 ( 0.498 -0.526 -0.069) 0.728 27.255 ( -6.607 0.001 -5.177) 8.394 27.336 ( 0.076 -0.091 -0.150) 0.191 27.340 ( -0.281 0.019 -0.184) 0.336 27.745 ( 3.047 -4.321 5.781) 7.834 28.775 ( 2.979 0.357 0.236) 3.009 28.928 ( 4.925 3.531 -3.026) 6.774 29.105 ( -4.627 4.191 0.519) 6.264 29.154 ( -1.440 5.718 0.528) 5.921 29.355 ( -1.386 0.927 -0.945) 1.917 30.116 ( 0.605 -7.803 11.670) 14.051 31.310 ( -1.255 -1.978 -18.823) 18.968 31.540 ( 0.336 4.288 6.358) 7.676 31.780 ( 3.968 3.299 3.873) 6.452 31.954 ( -0.095 1.465 0.151) 1.476 32.139 ( -8.519 8.439 -6.891) 13.830 33.233 ( 5.448 -18.323 2.163) 19.238 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -7.431 19.959 -4.382) 21.744 2.120 ( -1.412 4.586 -0.276) 4.806 2.190 ( -2.484 26.029 5.474) 26.714 2.558 ( 10.217 23.174 -3.275) 25.537 2.754 ( -3.001 7.235 -8.811) 11.789 2.929 ( -10.702 0.411 1.255) 10.784 3.214 ( -5.589 19.062 -2.669) 20.043 3.335 ( 2.327 5.355 4.387) 7.303 3.458 ( 4.972 -3.925 10.676) 12.414 3.680 ( -2.256 -6.395 3.304) 7.544 3.881 ( -0.624 -10.782 -9.574) 14.432 4.054 ( 6.462 -0.468 7.259) 9.730 4.115 ( 3.567 -2.601 2.908) 5.287 4.341 ( 6.782 -9.803 -4.605) 12.779 4.426 ( -6.522 -5.899 -3.719) 9.548 4.472 ( 6.666 -3.582 4.722) 8.920 4.635 ( -4.219 3.348 -0.496) 5.408 4.922 ( 3.697 -6.045 3.851) 8.065 4.995 ( -8.404 -3.124 -1.504) 9.092 5.073 ( -2.838 -1.405 -6.726) 7.435 5.296 ( -1.294 2.197 9.188) 9.535 5.394 ( -4.412 0.535 -7.571) 8.779 5.594 ( 5.283 -1.764 -2.670) 6.177 5.666 ( 3.051 3.846 -5.074) 7.060 5.721 ( -4.621 4.986 6.478) 9.390 5.840 ( -2.411 -6.990 1.141) 7.482 6.014 ( 2.912 -6.273 2.007) 7.201 6.148 ( 0.725 -3.625 -2.542) 4.487 6.318 ( 1.256 6.489 3.750) 7.599 6.524 ( -11.422 -3.727 -7.829) 14.340 6.850 ( 5.299 -15.300 1.831) 16.294 6.932 ( -1.356 -3.173 1.129) 3.631 6.989 ( -2.862 -6.653 -0.636) 7.270 7.203 ( 1.465 2.468 4.246) 5.125 7.583 ( 14.367 -2.526 3.026) 14.898 7.733 ( 4.283 -2.296 -5.154) 7.084 8.071 ( -0.628 -15.826 -4.720) 16.527 8.391 ( 3.353 -5.073 0.815) 6.135 8.556 ( -0.166 -11.350 0.983) 11.393 8.647 ( 9.150 -8.994 0.803) 12.855 8.798 ( 0.574 -6.564 -0.412) 6.602 8.934 ( -9.315 -4.280 0.004) 10.251 9.591 ( 0.735 7.842 6.269) 10.066 9.688 ( -1.763 4.186 -0.862) 4.623 9.752 ( 1.261 3.897 -5.319) 6.713 10.064 ( -0.567 5.955 11.210) 12.706 10.107 ( 3.106 6.856 -5.566) 9.362 10.539 ( -1.966 8.196 3.868) 9.274 10.663 ( -5.602 3.972 -5.338) 8.698 10.816 ( -1.988 4.589 -1.112) 5.124 10.911 ( -1.359 10.937 0.009) 11.021 11.180 ( -0.703 19.544 -1.240) 19.596 11.955 ( -0.328 7.458 -0.194) 7.468 12.104 ( -2.034 6.981 -0.585) 7.294 12.606 ( -2.571 11.037 -0.816) 11.362 12.976 ( 0.048 -9.986 -0.745) 10.014 13.009 ( 2.449 -10.354 0.522) 10.653 13.359 ( 0.493 -9.854 2.577) 10.197 14.298 ( 2.413 -3.102 2.580) 4.701 14.360 ( -0.342 -3.809 -4.190) 5.673 14.583 ( 1.417 -4.545 3.060) 5.659 14.639 ( -0.457 -5.401 -0.881) 5.491 15.287 ( 1.385 -5.307 0.316) 5.494 15.469 ( 0.423 -4.081 0.536) 4.138 15.894 ( -0.971 -0.173 -1.919) 2.157 16.512 ( -0.613 8.668 0.155) 8.691 16.894 ( -0.974 5.586 0.103) 5.671 16.978 ( -0.592 5.313 0.180) 5.349 20.717 ( 4.571 -1.018 0.321) 4.694 20.842 ( -3.793 2.087 -0.414) 4.349 20.882 ( -2.067 3.084 -0.457) 3.741 21.299 ( 1.993 -7.589 2.483) 8.230 26.859 ( -0.182 -2.346 2.067) 3.132 26.992 ( 4.387 -3.380 1.459) 5.727 27.178 ( -5.800 -0.002 -3.776) 6.921 27.335 ( -0.085 0.045 -0.152) 0.180 27.340 ( 0.054 -0.005 0.054) 0.076 27.869 ( 2.409 -5.192 4.660) 7.381 28.795 ( 2.879 0.869 -0.052) 3.007 28.905 ( 3.896 3.161 -2.509) 5.610 28.986 ( -5.361 4.199 0.887) 6.867 29.031 ( -2.719 6.290 0.670) 6.885 29.292 ( -1.047 5.360 -0.457) 5.480 30.311 ( 2.122 -6.885 20.967) 22.170 31.248 ( -1.639 -1.796 -25.157) 25.274 31.499 ( 0.328 2.988 2.006) 3.614 31.758 ( 3.198 5.403 3.041) 6.976 31.914 ( -4.284 4.553 -3.161) 7.005 31.942 ( -1.497 2.258 -2.911) 3.977 33.612 ( 4.265 -20.396 1.141) 20.868 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 31.303 -0.000) 31.303 1.497 ( 0.000 43.869 -0.000) 43.869 1.991 ( 0.000 55.140 -0.000) 55.140 2.261 ( 0.000 0.353 -0.000) 0.353 2.333 ( 0.000 5.433 -0.000) 5.433 2.860 ( 0.000 18.423 -0.000) 18.423 3.043 ( -0.000 -10.783 0.000) 10.783 3.337 ( -0.000 -7.319 0.000) 7.319 3.716 ( -0.000 -7.630 0.000) 7.630 3.862 ( -0.000 -6.355 0.000) 6.355 3.990 ( -0.000 -6.257 0.000) 6.257 4.075 ( 0.000 0.215 -0.000) 0.215 4.128 ( 0.000 1.478 -0.000) 1.478 4.403 ( -0.000 -0.131 0.000) 0.131 4.542 ( 0.000 3.554 -0.000) 3.554 4.568 ( -0.000 -9.819 0.000) 9.819 4.672 ( -0.000 -15.877 0.000) 15.877 4.914 ( 0.000 5.067 -0.000) 5.067 5.035 ( -0.000 -6.473 0.000) 6.473 5.206 ( -0.000 -12.610 0.000) 12.610 5.253 ( 0.000 5.418 -0.000) 5.418 5.360 ( -0.000 -1.995 0.000) 1.995 5.580 ( 0.000 4.670 -0.000) 4.670 5.662 ( -0.000 -2.190 0.000) 2.190 5.669 ( 0.000 1.439 -0.000) 1.439 5.976 ( -0.000 -11.050 0.000) 11.050 6.186 ( -0.000 -1.302 0.000) 1.302 6.209 ( -0.000 -11.375 0.000) 11.375 6.252 ( 0.000 5.014 -0.000) 5.014 6.434 ( 0.000 0.901 -0.000) 0.901 6.822 ( 0.000 12.531 -0.000) 12.531 6.980 ( 0.000 5.681 -0.000) 5.681 7.160 ( -0.000 -0.912 0.000) 0.912 7.271 ( -0.000 -23.433 0.000) 23.433 7.660 ( -0.000 -0.285 0.000) 0.285 7.921 ( -0.000 -14.714 0.000) 14.714 8.309 ( -0.000 -13.313 0.000) 13.313 8.524 ( -0.000 -7.837 0.000) 7.837 8.781 ( -0.000 -15.235 0.000) 15.235 8.871 ( -0.000 -1.340 0.000) 1.340 8.890 ( -0.000 -12.278 0.000) 12.278 8.917 ( -0.000 -1.993 0.000) 1.993 9.511 ( 0.000 3.014 -0.000) 3.014 9.582 ( 0.000 6.352 -0.000) 6.352 9.692 ( 0.000 3.960 -0.000) 3.960 9.962 ( 0.000 8.358 -0.000) 8.358 10.015 ( 0.000 5.036 -0.000) 5.036 10.317 ( 0.000 13.772 -0.000) 13.772 10.577 ( 0.000 6.106 -0.000) 6.106 10.720 ( 0.000 7.181 -0.000) 7.181 10.722 ( 0.000 9.273 -0.000) 9.273 10.856 ( 0.000 16.668 -0.000) 16.668 11.843 ( 0.000 5.719 -0.000) 5.719 11.996 ( 0.000 4.955 -0.000) 4.955 12.332 ( 0.000 18.525 -0.000) 18.525 13.143 ( -0.000 -9.406 0.000) 9.406 13.186 ( -0.000 -8.998 0.000) 8.998 13.511 ( -0.000 -7.242 0.000) 7.242 14.373 ( -0.000 -1.539 0.000) 1.539 14.407 ( -0.000 -5.128 0.000) 5.128 14.694 ( -0.000 -2.901 0.000) 2.901 14.700 ( -0.000 -6.600 0.000) 6.600 15.400 ( -0.000 -6.876 0.000) 6.876 15.539 ( -0.000 -3.822 0.000) 3.822 15.893 ( -0.000 -0.796 0.000) 0.796 16.350 ( 0.000 10.226 -0.000) 10.226 16.817 ( 0.000 3.075 -0.000) 3.075 16.890 ( 0.000 4.731 -0.000) 4.731 20.768 ( -0.000 -0.737 0.000) 0.737 20.778 ( 0.000 1.726 -0.000) 1.726 20.820 ( 0.000 2.930 -0.000) 2.930 21.434 ( -0.000 -6.677 0.000) 6.677 26.882 ( -0.000 -1.118 0.000) 1.118 27.115 ( -0.000 -5.565 0.000) 5.565 27.122 ( 0.000 0.723 -0.000) 0.723 27.334 ( 0.000 0.003 -0.000) 0.003 27.339 ( 0.000 0.109 -0.000) 0.109 27.982 ( -0.000 -5.349 0.000) 5.349 28.791 ( 0.000 1.543 -0.000) 1.543 28.873 ( 0.000 2.594 -0.000) 2.594 28.902 ( 0.000 2.291 -0.000) 2.291 28.927 ( 0.000 4.523 -0.000) 4.523 29.167 ( 0.000 8.559 -0.000) 8.559 30.505 ( -0.000 -6.931 0.000) 6.931 31.172 ( 0.000 0.734 -0.000) 0.734 31.466 ( 0.000 1.490 -0.000) 1.490 31.680 ( 0.000 5.794 -0.000) 5.794 31.817 ( 0.000 3.070 -0.000) 3.070 31.921 ( 0.000 0.466 -0.000) 0.466 33.947 ( -0.000 -17.131 0.000) 17.131 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 30.689 0.000 11.158) 32.654 1.651 ( 43.497 0.000 -5.938) 43.901 2.092 ( -0.577 -0.000 0.803) 0.989 2.122 ( 4.450 0.000 3.950) 5.951 2.688 ( 42.686 0.000 40.463) 58.816 2.892 ( -12.712 -0.000 -12.123) 17.566 2.931 ( -6.208 -0.000 13.395) 14.763 3.279 ( 18.059 0.000 11.797) 21.571 3.569 ( -16.388 -0.000 -24.848) 29.765 3.580 ( 3.283 0.000 -2.315) 4.017 3.990 ( -10.354 -0.000 -17.869) 20.652 4.056 ( 1.233 0.000 7.477) 7.578 4.241 ( -13.497 -0.000 7.245) 15.318 4.246 ( 5.842 0.000 11.939) 13.291 4.504 ( -1.516 -0.000 -18.101) 18.164 4.704 ( -3.815 -0.000 -1.978) 4.297 4.866 ( -5.559 -0.000 -0.653) 5.597 4.943 ( -7.730 -0.000 -3.394) 8.442 5.058 ( -7.324 -0.000 -5.897) 9.403 5.195 ( -1.868 -0.000 -5.304) 5.623 5.231 ( -5.346 -0.000 1.572) 5.573 5.367 ( 6.504 0.000 -3.547) 7.408 5.495 ( 5.368 0.000 -4.920) 7.281 5.633 ( 1.152 0.000 -4.699) 4.838 5.684 ( -4.374 -0.000 -1.181) 4.531 5.967 ( 0.047 0.000 -16.372) 16.372 6.006 ( 15.680 0.000 7.646) 17.444 6.113 ( 1.277 0.000 -0.460) 1.357 6.514 ( -0.304 -0.000 -12.605) 12.609 6.738 ( 5.694 0.000 2.775) 6.334 6.913 ( -8.300 -0.000 -0.307) 8.305 6.979 ( 11.540 0.000 14.103) 18.222 7.159 ( 3.843 0.000 -3.198) 5.000 7.218 ( -8.656 -0.000 -0.831) 8.696 7.605 ( -29.244 -0.000 27.763) 40.324 7.732 ( -26.589 -0.000 7.893) 27.735 8.215 ( -11.046 -0.000 -0.078) 11.046 8.364 ( -11.523 -0.000 2.037) 11.702 8.608 ( -4.604 -0.000 -5.245) 6.979 8.750 ( -5.556 -0.000 -7.136) 9.044 8.766 ( -17.075 -0.000 5.121) 17.827 9.272 ( -1.577 -0.000 -1.731) 2.342 9.422 ( 7.453 0.000 -3.689) 8.315 9.613 ( 4.683 0.000 2.104) 5.134 9.683 ( 4.034 0.000 8.701) 9.591 9.782 ( 6.754 0.000 -15.950) 17.321 10.377 ( 11.218 0.000 -7.460) 13.472 10.461 ( 8.189 0.000 8.226) 11.608 10.621 ( 3.556 0.000 10.144) 10.749 10.641 ( 10.281 0.000 -1.458) 10.384 10.819 ( 11.653 0.000 7.249) 13.724 10.851 ( 7.631 0.000 -2.519) 8.036 11.964 ( 4.301 0.000 0.614) 4.344 12.050 ( 7.148 0.000 -0.850) 7.198 12.473 ( 17.823 0.000 4.938) 18.494 13.032 ( -10.100 -0.000 -1.545) 10.217 13.122 ( -9.537 -0.000 -0.461) 9.548 13.275 ( -0.428 -0.000 -14.556) 14.562 14.251 ( -3.108 -0.000 1.361) 3.393 14.485 ( -3.019 -0.000 -12.369) 12.732 14.603 ( -1.929 -0.000 8.445) 8.662 14.773 ( -8.421 -0.000 1.128) 8.496 15.339 ( -7.009 -0.000 -1.543) 7.177 15.514 ( -3.420 -0.000 -1.880) 3.903 16.023 ( 0.677 0.000 7.964) 7.993 16.316 ( 7.846 0.000 -1.004) 7.910 16.832 ( 3.854 0.000 0.144) 3.857 16.889 ( 4.870 0.000 -1.447) 5.080 20.777 ( 0.347 0.000 0.227) 0.414 20.817 ( 2.369 0.000 -0.779) 2.494 20.859 ( 4.228 0.000 0.607) 4.271 21.280 ( -3.148 -0.000 -11.170) 11.605 26.910 ( -7.268 -0.000 -0.671) 7.299 27.166 ( -1.114 -0.000 -1.575) 1.929 27.320 ( -1.077 -0.000 -4.399) 4.529 27.334 ( 0.015 0.000 0.052) 0.054 27.343 ( -0.367 -0.000 -2.361) 2.389 27.557 ( 7.619 0.000 -11.855) 14.092 28.699 ( -1.316 -0.000 -0.376) 1.369 28.758 ( 0.482 0.000 -0.697) 0.847 29.030 ( 3.518 0.000 -0.074) 3.519 29.034 ( 6.592 0.000 -1.112) 6.685 29.262 ( 7.747 0.000 3.227) 8.393 29.732 ( 12.906 0.000 -33.517) 35.916 31.457 ( 1.643 0.000 1.284) 2.085 31.567 ( 0.591 0.000 -2.467) 2.537 31.828 ( -1.324 -0.000 5.306) 5.468 31.913 ( 4.977 0.000 5.900) 7.719 32.269 ( -22.406 -0.000 54.327) 58.766 33.795 ( -20.839 -0.000 -3.784) 21.180 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 21.501 -4.009 6.368) 22.780 2.003 ( 3.887 6.792 4.460) 9.007 2.158 ( 29.676 -12.606 -4.491) 32.554 2.333 ( 10.558 -10.088 8.709) 17.003 2.717 ( -10.807 -3.102 -11.063) 15.774 2.918 ( -6.044 0.847 2.397) 6.557 3.206 ( -2.910 -0.243 -5.521) 6.246 3.295 ( 13.321 1.274 8.997) 16.125 3.602 ( 8.427 -5.758 4.701) 11.236 3.694 ( 11.901 -7.110 9.606) 16.866 3.803 ( -1.741 -1.026 -12.807) 12.965 3.957 ( -9.379 7.344 7.381) 14.013 4.121 ( -6.683 6.015 7.827) 11.920 4.230 ( -0.882 5.605 1.396) 5.843 4.491 ( -14.500 7.376 0.281) 16.270 4.564 ( 10.642 -2.763 -3.123) 11.430 4.822 ( -4.452 2.663 0.507) 5.213 4.939 ( -9.177 -0.222 -10.548) 13.983 4.965 ( -1.291 -8.491 -2.840) 9.046 5.089 ( -5.228 3.334 -5.128) 8.046 5.256 ( 4.130 -0.180 0.891) 4.229 5.374 ( -2.433 1.331 1.133) 2.996 5.552 ( 14.142 1.014 -8.409) 16.484 5.655 ( 1.650 -4.333 4.024) 6.140 5.749 ( -6.136 -7.952 -8.010) 12.847 5.938 ( 3.437 -2.340 -9.647) 10.505 6.137 ( 7.175 -0.237 -3.068) 7.807 6.180 ( 9.944 -0.598 5.931) 11.594 6.387 ( -4.481 6.863 -10.688) 13.468 6.660 ( -10.644 4.356 -0.033) 11.501 6.918 ( -5.025 5.392 4.964) 8.886 6.981 ( -3.107 1.952 1.115) 3.835 7.052 ( 2.717 8.907 8.134) 12.365 7.274 ( -21.774 8.302 6.709) 24.249 7.374 ( 7.813 -13.379 2.243) 15.655 7.606 ( -20.000 0.535 9.168) 22.008 8.122 ( -11.519 1.081 0.447) 11.578 8.213 ( -11.948 2.863 0.734) 12.308 8.468 ( -5.577 7.003 -4.922) 10.216 8.628 ( -12.190 1.169 1.210) 12.305 8.701 ( -5.004 -1.914 -4.180) 6.796 9.180 ( 0.747 8.291 -0.060) 8.325 9.456 ( 7.901 1.808 -3.627) 8.880 9.697 ( 3.872 -3.125 2.674) 5.648 9.781 ( 4.856 -3.011 6.709) 8.813 9.848 ( 7.322 -4.611 -12.079) 14.858 10.369 ( 8.256 7.648 -2.010) 11.432 10.500 ( 6.109 2.273 3.251) 7.284 10.702 ( 5.763 -3.763 4.467) 8.205 10.798 ( 1.919 -5.331 -0.562) 5.694 10.881 ( 6.509 -2.382 -0.021) 6.931 11.173 ( 15.618 -15.247 5.140) 22.423 12.019 ( 7.346 -1.191 -0.104) 7.443 12.147 ( 6.850 -2.967 0.210) 7.468 12.665 ( 10.387 -2.888 4.617) 11.728 12.928 ( -12.565 0.064 0.572) 12.578 12.994 ( -9.134 3.879 -0.809) 9.956 13.177 ( -4.512 3.802 -10.209) 11.791 14.235 ( -2.576 -0.054 3.174) 4.088 14.411 ( -1.756 0.505 -11.305) 11.452 14.576 ( -2.837 3.971 5.715) 7.515 14.675 ( -9.039 1.579 1.519) 9.301 15.257 ( -4.923 1.832 -1.398) 5.435 15.465 ( -3.099 1.144 -2.075) 3.901 16.031 ( 0.930 2.751 5.579) 6.290 16.433 ( 6.775 -5.122 -0.123) 8.494 16.894 ( 5.354 -2.107 0.344) 5.764 16.952 ( 5.212 -2.282 -1.263) 5.828 20.785 ( 0.039 -0.373 0.960) 1.031 20.829 ( 2.240 0.864 -0.879) 2.557 20.910 ( 3.995 -0.990 0.626) 4.163 21.199 ( -4.928 1.058 -7.400) 8.954 26.830 ( -5.978 1.567 0.492) 6.200 27.119 ( 1.761 4.694 -4.660) 6.845 27.269 ( -3.100 -0.211 -1.512) 3.456 27.333 ( -0.076 0.154 -0.082) 0.191 27.337 ( 0.134 -0.108 -0.009) 0.172 27.605 ( 3.666 -1.443 -9.379) 10.173 28.696 ( -0.843 -1.877 0.811) 2.212 28.838 ( 0.589 -7.590 -1.646) 7.789 29.022 ( 5.613 2.277 -1.073) 6.152 29.155 ( 6.393 -3.742 0.511) 7.425 29.323 ( 5.254 1.242 2.153) 5.813 29.759 ( 5.301 -3.526 -21.873) 22.780 31.441 ( 0.958 3.183 -0.961) 3.460 31.616 ( 2.197 -4.450 -0.098) 4.964 31.819 ( -1.424 2.112 6.198) 6.701 32.011 ( 5.746 -2.649 6.828) 9.309 32.202 ( -12.348 5.920 34.152) 36.796 33.513 ( -21.924 6.804 -5.858) 23.691 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 2.055 2.173 1.624) 3.404 2.074 ( 4.172 -9.604 4.597) 11.436 2.467 ( 5.536 -4.812 0.563) 7.356 2.608 ( 3.464 -2.612 -14.370) 15.011 2.699 ( 8.138 -2.020 -9.522) 12.688 2.864 ( 5.937 -4.617 11.160) 13.458 3.139 ( -2.187 -2.691 5.348) 6.374 3.401 ( -1.367 5.228 -1.139) 5.523 3.587 ( -4.358 -4.831 -14.362) 15.768 3.675 ( -1.613 -1.391 0.084) 2.131 3.788 ( -0.378 5.776 8.771) 10.509 3.992 ( 2.062 5.773 2.108) 6.482 4.160 ( -4.613 0.286 2.038) 5.051 4.281 ( -9.613 3.988 1.580) 10.527 4.327 ( 18.459 -10.286 12.966) 24.792 4.645 ( 7.858 2.704 7.850) 11.431 4.691 ( -11.317 2.523 -2.278) 11.816 4.850 ( -0.616 3.271 -1.089) 3.502 5.025 ( -0.600 -0.373 1.554) 1.707 5.105 ( 3.983 -8.664 -6.599) 11.597 5.300 ( -1.152 -2.099 -0.118) 2.397 5.356 ( 8.512 -0.402 -9.029) 12.415 5.595 ( -0.139 2.050 -1.127) 2.343 5.718 ( 3.377 1.439 -3.791) 5.278 5.798 ( -1.551 -8.179 -1.919) 8.543 6.080 ( 1.347 -12.930 -0.013) 13.000 6.125 ( 2.048 14.735 -3.791) 15.352 6.146 ( 0.219 2.763 -12.324) 12.632 6.319 ( 3.489 -1.772 3.578) 5.302 6.424 ( -16.997 3.228 6.436) 18.459 6.717 ( -6.965 9.850 2.469) 12.314 6.929 ( 6.355 7.908 6.131) 11.854 7.011 ( -10.192 8.717 1.565) 13.502 7.081 ( -0.575 -5.078 -4.995) 7.146 7.371 ( -11.335 10.204 5.221) 16.120 7.664 ( 5.719 -11.516 2.118) 13.031 7.893 ( -14.316 7.134 -3.246) 16.321 8.162 ( -4.729 -2.534 2.818) 6.060 8.311 ( -4.003 3.772 -4.121) 6.872 8.496 ( -11.317 1.389 2.911) 11.768 8.686 ( -2.065 -0.972 0.369) 2.312 9.029 ( -0.367 10.191 -0.712) 10.222 9.514 ( 6.381 -2.300 -3.780) 7.765 9.780 ( 2.513 -1.237 5.611) 6.271 9.895 ( 7.190 -2.344 -4.619) 8.861 9.966 ( 4.844 -6.196 -1.394) 7.987 10.333 ( 6.696 4.571 -1.756) 8.295 10.535 ( 3.633 0.810 4.311) 5.695 10.819 ( 3.184 -2.744 -0.037) 4.203 10.881 ( -0.031 -5.845 -1.136) 5.955 11.006 ( 3.933 -5.091 0.022) 6.433 11.553 ( 13.744 -10.485 3.520) 17.641 12.140 ( 10.079 -3.132 -0.463) 10.565 12.278 ( 7.405 -4.994 0.833) 8.970 12.736 ( -0.134 4.584 1.830) 4.937 12.799 ( -8.845 1.083 0.686) 8.938 12.861 ( -8.887 0.340 0.178) 8.895 13.000 ( -10.107 5.192 -5.838) 12.774 14.221 ( -0.963 0.713 2.369) 2.655 14.367 ( -1.098 -0.965 -6.700) 6.857 14.474 ( -3.220 5.890 1.902) 6.977 14.578 ( -7.347 1.793 2.368) 7.924 15.194 ( -1.785 1.166 -0.795) 2.275 15.412 ( -2.079 1.252 -1.716) 2.972 16.003 ( 0.165 2.991 2.942) 4.198 16.576 ( 4.800 -4.936 0.529) 6.906 16.993 ( 5.246 -3.104 0.436) 6.111 17.040 ( 4.423 -2.822 -0.755) 5.300 20.777 ( 1.612 3.445 1.107) 3.962 20.838 ( 0.155 -1.570 -0.787) 1.762 20.968 ( 2.479 -2.005 0.582) 3.241 21.108 ( -4.264 1.835 -4.082) 6.182 26.764 ( -3.059 1.514 2.288) 4.110 27.036 ( 2.305 5.093 -4.721) 7.317 27.254 ( -5.575 -2.775 -1.748) 6.469 27.331 ( -0.147 -0.040 -0.017) 0.153 27.340 ( 0.145 -0.065 -0.056) 0.169 27.612 ( 2.714 0.231 -4.276) 5.070 28.733 ( 0.116 -2.129 0.653) 2.230 28.973 ( 1.838 -7.276 -1.585) 7.670 29.054 ( 5.596 -0.284 -1.508) 5.802 29.275 ( 8.744 -1.313 1.483) 8.966 29.335 ( -0.298 0.676 1.229) 1.434 29.767 ( -2.078 -3.788 -12.464) 13.191 31.385 ( -0.054 2.907 -3.768) 4.759 31.720 ( 4.335 -2.567 3.165) 5.950 31.783 ( -1.878 2.927 8.253) 8.956 32.098 ( -1.846 3.954 14.000) 14.664 32.178 ( 2.631 -3.806 8.034) 9.272 33.155 ( -18.845 8.980 -7.340) 22.128 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 2.887 -1.480 -0.898) 3.367 2.175 ( -6.687 0.006 -7.124) 9.770 2.488 ( -1.795 -4.112 -5.836) 7.362 2.575 ( 0.938 -6.629 2.640) 7.197 2.799 ( 4.459 1.170 2.245) 5.128 3.125 ( 14.428 -0.562 2.791) 14.706 3.210 ( 5.719 -0.886 14.581) 15.687 3.340 ( -11.866 -7.998 -0.774) 14.331 3.535 ( -4.633 -2.577 -4.853) 7.187 3.705 ( 1.631 -1.684 -0.658) 2.435 3.865 ( 9.349 -1.134 3.726) 10.128 3.943 ( 4.708 5.240 0.671) 7.076 4.103 ( -5.476 0.336 -4.917) 7.367 4.168 ( -2.370 0.992 -1.857) 3.170 4.408 ( 2.508 8.395 1.622) 8.911 4.547 ( -6.637 1.710 -1.839) 7.096 4.723 ( -7.098 -0.042 0.821) 7.145 4.798 ( 1.937 1.891 3.586) 4.493 5.106 ( 5.702 -0.841 9.634) 11.226 5.257 ( 4.552 -7.853 -8.637) 12.530 5.303 ( 1.515 0.811 -8.525) 8.697 5.419 ( 1.125 0.228 -0.348) 1.200 5.521 ( -3.944 1.116 2.266) 4.683 5.659 ( -3.609 4.054 -4.349) 6.955 5.869 ( 0.095 9.797 -1.999) 9.999 5.925 ( -1.786 -4.530 -2.405) 5.431 6.097 ( 8.270 -0.196 -4.276) 9.312 6.291 ( -2.228 4.832 -2.016) 5.690 6.321 ( 0.842 -5.377 6.694) 8.627 6.391 ( -3.676 -8.254 1.937) 9.240 6.576 ( 1.350 1.112 3.057) 3.522 6.776 ( -7.310 10.716 0.544) 12.983 6.798 ( -0.831 13.588 4.287) 14.272 7.118 ( -2.871 -6.239 -2.846) 7.435 7.274 ( 4.699 -0.066 1.166) 4.842 7.676 ( -10.458 1.920 -4.276) 11.461 7.843 ( 2.242 -4.530 0.713) 5.105 8.177 ( -1.566 -1.937 2.850) 3.785 8.254 ( 0.591 -0.955 -5.983) 6.087 8.432 ( -10.048 -4.540 6.051) 12.577 8.677 ( 1.042 4.408 6.710) 8.096 8.867 ( -3.841 4.078 -5.462) 7.824 9.608 ( 4.543 -3.834 -2.923) 6.624 9.826 ( 1.552 1.263 9.386) 9.597 9.945 ( 5.165 0.066 -10.545) 11.742 10.109 ( 4.424 -4.395 4.134) 7.482 10.315 ( 4.774 3.710 -2.796) 6.661 10.574 ( 1.647 0.004 6.861) 7.056 10.848 ( -1.687 -1.729 -5.863) 6.341 10.951 ( -1.034 -1.978 1.225) 2.546 11.099 ( 2.029 -3.146 -1.676) 4.101 11.750 ( 9.334 1.345 1.533) 9.554 12.275 ( 11.550 0.939 -0.368) 11.594 12.441 ( 7.241 -3.142 0.797) 7.933 12.618 ( -2.778 2.498 -0.823) 3.825 12.694 ( -4.089 4.702 0.745) 6.275 12.818 ( -14.474 -0.857 -1.658) 14.594 12.840 ( -8.391 -6.728 -0.020) 10.755 14.227 ( 1.444 -0.521 1.239) 1.972 14.352 ( -0.078 4.284 0.827) 4.363 14.381 ( -1.731 -1.475 -2.590) 3.447 14.501 ( -6.191 0.121 1.164) 6.301 15.178 ( -0.065 -0.193 -0.242) 0.317 15.378 ( -0.969 0.446 -0.929) 1.415 15.963 ( -0.671 2.454 0.902) 2.700 16.672 ( 2.762 -1.968 0.497) 3.427 17.073 ( 2.960 -1.086 0.324) 3.170 17.104 ( 2.688 -0.818 -0.284) 2.824 20.729 ( 2.447 4.119 0.094) 4.792 20.871 ( -1.410 -2.817 -0.228) 3.158 21.019 ( 0.094 -1.403 1.084) 1.775 21.037 ( -1.041 1.358 -1.946) 2.591 26.749 ( 0.300 0.067 3.631) 3.644 26.971 ( 0.977 2.908 -3.425) 4.598 27.226 ( -6.040 -1.722 -3.690) 7.285 27.331 ( -0.129 -0.190 0.016) 0.230 27.341 ( 0.097 0.074 -0.072) 0.142 27.639 ( 2.236 -1.618 0.630) 2.831 28.768 ( 1.337 -1.160 0.488) 1.836 29.043 ( 6.092 1.735 -3.777) 7.375 29.142 ( 1.173 -4.927 1.539) 5.293 29.282 ( 0.122 3.444 -0.229) 3.454 29.364 ( 3.268 1.352 0.604) 3.588 29.794 ( -4.837 -9.010 -3.533) 10.820 31.322 ( -0.577 2.247 -5.740) 6.191 31.708 ( -0.907 5.231 8.064) 9.655 31.837 ( 5.818 -0.945 4.323) 7.310 32.048 ( -0.256 4.334 6.060) 7.455 32.280 ( -2.310 -2.043 -0.041) 3.084 32.893 ( -8.809 0.600 -4.442) 9.884 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -7.606 6.708 -9.683) 14.022 2.129 ( 3.190 -1.728 -1.840) 4.068 2.583 ( -7.107 -9.674 1.285) 12.073 2.733 ( 2.803 1.101 1.614) 3.416 2.885 ( 7.905 -6.722 18.758) 21.437 3.120 ( 5.693 3.153 -5.142) 8.294 3.279 ( 4.229 12.752 6.408) 14.885 3.369 ( -4.983 -8.470 -2.300) 10.092 3.642 ( -0.642 -5.801 3.300) 6.705 3.720 ( -1.707 -1.923 -2.769) 3.779 3.825 ( -1.951 3.291 -6.224) 7.306 3.915 ( 5.183 4.428 -0.786) 6.863 4.107 ( 6.519 1.486 -1.961) 6.967 4.189 ( 1.271 -1.573 1.202) 2.353 4.326 ( 4.926 6.247 8.579) 11.700 4.501 ( -7.700 -3.506 -11.054) 13.920 4.528 ( -15.787 -0.424 -0.179) 15.794 4.857 ( 4.918 -1.561 2.523) 5.744 5.094 ( 2.812 8.767 -2.137) 9.452 5.181 ( -5.465 5.701 -2.545) 8.297 5.375 ( -2.479 0.870 -1.180) 2.880 5.426 ( 3.297 -7.188 0.905) 7.960 5.450 ( -4.362 4.820 0.120) 6.502 5.627 ( 2.368 -1.955 -0.067) 3.072 5.758 ( 3.684 4.147 -1.528) 5.754 5.945 ( -3.978 1.010 0.002) 4.104 6.045 ( -0.503 4.584 -3.857) 6.012 6.243 ( 3.920 7.957 -3.289) 9.460 6.326 ( 3.595 -1.469 2.052) 4.393 6.499 ( -6.198 9.965 5.543) 12.979 6.641 ( 2.639 -5.279 -7.077) 9.215 6.657 ( -1.572 -11.337 1.541) 11.549 6.708 ( -3.634 -4.772 10.068) 11.719 7.248 ( 6.175 -6.756 3.059) 9.650 7.342 ( 3.376 -2.753 -3.576) 5.636 7.628 ( -4.478 -7.096 -2.986) 8.906 7.877 ( 1.344 1.718 -0.503) 2.238 8.248 ( 0.341 -6.254 1.469) 6.433 8.282 ( 0.533 -3.744 -4.095) 5.574 8.491 ( -2.665 -7.562 2.658) 8.447 8.601 ( -0.752 5.606 6.533) 8.641 8.816 ( -3.847 -2.877 -3.719) 6.075 9.686 ( 2.627 -2.298 -1.678) 3.873 9.834 ( 0.240 3.840 11.884) 12.492 9.906 ( 2.047 3.927 -11.410) 12.239 10.201 ( 2.510 -0.015 6.596) 7.058 10.273 ( 3.051 4.428 -4.835) 7.231 10.616 ( 0.887 -0.331 7.256) 7.318 10.798 ( -4.208 1.638 -7.097) 8.412 10.931 ( -1.462 2.421 -0.427) 2.860 11.125 ( 0.455 1.224 -0.757) 1.509 11.711 ( 4.092 11.060 0.384) 11.799 12.250 ( 4.252 10.299 -0.007) 11.142 12.391 ( -0.481 9.956 -0.777) 9.998 12.632 ( 2.467 -4.759 -0.286) 5.368 12.729 ( 2.717 -5.979 0.272) 6.573 12.756 ( -10.160 -5.108 -0.199) 11.373 12.947 ( -4.205 -13.978 0.241) 14.599 14.266 ( 1.520 -1.263 0.865) 2.157 14.285 ( 0.630 2.631 -0.013) 2.706 14.425 ( -0.638 -4.435 -0.221) 4.487 14.485 ( -2.744 -3.501 0.130) 4.450 15.191 ( 0.334 -1.289 0.019) 1.331 15.376 ( -0.230 -1.154 -0.226) 1.198 15.921 ( -0.824 1.867 -0.243) 2.055 16.692 ( 0.998 1.959 0.230) 2.211 17.071 ( 0.457 3.411 0.165) 3.446 17.111 ( 0.941 2.042 -0.074) 2.249 20.710 ( 3.300 1.437 0.139) 3.602 20.876 ( -3.498 -0.586 -0.730) 3.621 20.979 ( -0.574 2.526 -0.070) 2.591 21.088 ( 1.230 -4.318 0.721) 4.547 26.789 ( 1.959 -1.623 3.317) 4.180 26.938 ( 0.236 0.389 -1.872) 1.926 27.178 ( -4.473 -0.343 -3.021) 5.408 27.334 ( -0.016 -0.237 0.018) 0.238 27.339 ( 0.007 0.157 -0.049) 0.164 27.707 ( 1.199 -3.974 1.875) 4.555 28.800 ( 1.724 -0.691 0.401) 1.901 29.037 ( 6.394 4.092 -3.910) 8.539 29.134 ( -4.936 4.126 2.499) 6.902 29.261 ( 2.775 5.193 0.901) 5.956 29.324 ( -2.104 -0.728 -1.679) 2.788 29.955 ( -1.314 -13.364 2.285) 13.621 31.260 ( -0.667 1.901 -6.006) 6.335 31.640 ( -0.246 5.142 4.253) 6.677 31.904 ( 6.929 2.362 4.808) 8.758 31.999 ( 0.442 3.637 2.434) 4.398 32.150 ( -9.153 6.675 -6.699) 13.161 32.990 ( 0.802 -14.871 0.381) 14.898 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 3.583 -0.000) 3.583 2.123 ( 0.000 3.793 -0.000) 3.793 2.708 ( -0.000 -8.212 0.000) 8.212 2.722 ( 0.000 12.027 -0.000) 12.027 2.774 ( 0.000 12.319 -0.000) 12.319 3.009 ( 0.000 18.650 -0.000) 18.650 3.371 ( -0.000 -3.884 0.000) 3.884 3.425 ( -0.000 -8.712 0.000) 8.712 3.492 ( 0.000 7.073 -0.000) 7.073 3.720 ( -0.000 -3.654 0.000) 3.654 3.826 ( 0.000 30.456 -0.000) 30.456 3.984 ( -0.000 -13.207 0.000) 13.207 4.003 ( -0.000 -10.629 0.000) 10.629 4.244 ( -0.000 -1.325 0.000) 1.325 4.298 ( -0.000 -3.251 0.000) 3.251 4.489 ( -0.000 -3.932 0.000) 3.932 4.604 ( -0.000 -7.270 0.000) 7.270 4.935 ( 0.000 2.668 -0.000) 2.668 4.962 ( 0.000 3.059 -0.000) 3.059 5.032 ( 0.000 4.129 -0.000) 4.129 5.346 ( 0.000 1.397 -0.000) 1.397 5.358 ( 0.000 2.242 -0.000) 2.242 5.561 ( -0.000 -7.530 0.000) 7.530 5.628 ( 0.000 2.615 -0.000) 2.615 5.769 ( -0.000 -1.436 0.000) 1.436 5.917 ( -0.000 -3.706 0.000) 3.706 5.998 ( 0.000 15.871 -0.000) 15.871 6.088 ( -0.000 -3.545 0.000) 3.545 6.377 ( -0.000 -1.344 0.000) 1.344 6.391 ( 0.000 0.488 -0.000) 0.488 6.689 ( -0.000 -6.092 0.000) 6.092 6.824 ( -0.000 -6.893 0.000) 6.893 6.870 ( -0.000 -10.745 0.000) 10.745 7.298 ( 0.000 4.576 -0.000) 4.576 7.503 ( -0.000 -13.120 0.000) 13.120 7.794 ( -0.000 -14.970 0.000) 14.970 7.810 ( 0.000 6.812 -0.000) 6.812 8.340 ( -0.000 -3.600 0.000) 3.600 8.380 ( -0.000 -9.172 0.000) 9.172 8.584 ( -0.000 -4.017 0.000) 4.017 8.646 ( -0.000 -10.231 0.000) 10.231 8.833 ( -0.000 -2.687 0.000) 2.687 9.711 ( 0.000 0.671 -0.000) 0.671 9.762 ( 0.000 8.933 -0.000) 8.933 9.812 ( 0.000 3.985 -0.000) 3.985 10.188 ( 0.000 6.004 -0.000) 6.004 10.201 ( 0.000 3.804 -0.000) 3.804 10.645 ( 0.000 0.043 -0.000) 0.043 10.680 ( 0.000 7.089 -0.000) 7.089 10.869 ( 0.000 3.644 -0.000) 3.644 11.057 ( 0.000 7.059 -0.000) 7.059 11.490 ( 0.000 17.588 -0.000) 17.588 12.097 ( 0.000 9.702 -0.000) 9.702 12.223 ( 0.000 9.011 -0.000) 9.011 12.710 ( 0.000 2.443 -0.000) 2.443 12.803 ( -0.000 -9.802 0.000) 9.802 12.861 ( -0.000 -8.833 0.000) 8.833 13.167 ( -0.000 -13.731 0.000) 13.731 14.269 ( -0.000 -1.188 0.000) 1.188 14.310 ( -0.000 -2.131 0.000) 2.131 14.502 ( -0.000 -5.510 0.000) 5.510 14.553 ( -0.000 -5.233 0.000) 5.233 15.226 ( -0.000 -2.902 0.000) 2.902 15.410 ( -0.000 -3.136 0.000) 3.136 15.891 ( 0.000 0.949 -0.000) 0.949 16.632 ( 0.000 5.851 -0.000) 5.851 16.989 ( 0.000 6.138 -0.000) 6.138 17.059 ( 0.000 4.520 -0.000) 4.520 20.730 ( -0.000 -0.891 0.000) 0.891 20.840 ( 0.000 1.558 -0.000) 1.558 20.929 ( 0.000 3.292 -0.000) 3.292 21.190 ( -0.000 -6.948 0.000) 6.948 26.835 ( -0.000 -1.680 0.000) 1.680 26.959 ( -0.000 -2.939 0.000) 2.939 27.145 ( 0.000 0.509 -0.000) 0.509 27.336 ( 0.000 0.103 -0.000) 0.103 27.339 ( -0.000 -0.135 0.000) 0.135 27.796 ( -0.000 -5.478 0.000) 5.478 28.818 ( -0.000 -0.019 0.000) 0.019 29.004 ( 0.000 4.618 -0.000) 4.618 29.019 ( 0.000 4.768 -0.000) 4.768 29.139 ( 0.000 8.258 -0.000) 8.258 29.337 ( 0.000 0.513 -0.000) 0.513 30.177 ( -0.000 -12.825 0.000) 12.825 31.212 ( 0.000 1.761 -0.000) 1.761 31.568 ( 0.000 4.501 -0.000) 4.501 31.918 ( 0.000 8.497 -0.000) 8.497 31.928 ( 0.000 2.571 -0.000) 2.571 31.968 ( 0.000 3.148 -0.000) 3.148 33.295 ( -0.000 -20.289 0.000) 20.289 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 8.677 0.000 -7.244) 11.303 2.212 ( 8.421 0.000 -1.362) 8.531 2.332 ( 17.619 0.000 16.003) 23.802 2.401 ( 28.194 0.000 7.322) 29.129 2.523 ( -8.952 -0.000 -8.670) 12.462 2.847 ( -14.589 -0.000 -9.849) 17.603 3.082 ( -7.265 -0.000 -3.165) 7.925 3.436 ( 4.590 0.000 -11.778) 12.640 3.647 ( -4.547 -0.000 -15.002) 15.676 3.684 ( 13.369 0.000 5.466) 14.444 3.925 ( -16.417 -0.000 17.871) 24.267 3.961 ( 24.228 0.000 29.692) 38.323 4.103 ( -2.813 -0.000 13.396) 13.688 4.326 ( -4.923 -0.000 -5.635) 7.482 4.469 ( -7.353 -0.000 -4.342) 8.539 4.643 ( 12.840 0.000 3.631) 13.343 4.744 ( -12.755 -0.000 -9.926) 16.162 4.788 ( -1.795 -0.000 -2.919) 3.427 4.868 ( 1.114 0.000 -0.330) 1.162 5.035 ( -6.525 -0.000 -6.340) 9.098 5.325 ( -5.256 -0.000 -0.443) 5.274 5.366 ( 5.210 0.000 7.074) 8.786 5.570 ( -2.313 -0.000 -2.898) 3.708 5.646 ( 3.422 0.000 -6.674) 7.500 5.735 ( 18.894 0.000 -4.023) 19.317 5.904 ( 0.149 0.000 -10.140) 10.141 6.138 ( 2.481 0.000 -6.872) 7.306 6.307 ( -7.360 -0.000 -11.213) 13.413 6.329 ( 11.221 0.000 3.038) 11.625 6.742 ( -9.955 -0.000 2.428) 10.247 6.794 ( -1.186 -0.000 -1.682) 2.058 7.004 ( -15.356 -0.000 8.834) 17.716 7.199 ( -25.516 -0.000 9.693) 27.295 7.201 ( -1.962 -0.000 2.078) 2.858 7.280 ( 8.914 0.000 9.951) 13.360 7.398 ( -9.272 -0.000 0.763) 9.303 8.062 ( -4.818 -0.000 2.383) 5.375 8.120 ( -13.685 -0.000 -1.554) 13.773 8.489 ( -4.268 -0.000 -5.237) 6.756 8.501 ( -13.519 -0.000 0.452) 13.526 8.627 ( -0.791 -0.000 -5.662) 5.717 9.248 ( -0.058 -0.000 -0.877) 0.879 9.564 ( 8.882 0.000 -1.634) 9.031 9.706 ( 3.789 0.000 1.640) 4.129 9.817 ( 3.961 0.000 5.685) 6.929 9.853 ( 8.935 0.000 -9.290) 12.890 10.471 ( 4.814 0.000 -5.768) 7.513 10.639 ( 3.502 0.000 8.706) 9.384 10.740 ( 3.765 0.000 3.083) 4.866 10.746 ( 4.949 0.000 -2.472) 5.532 10.954 ( 5.178 0.000 -1.730) 5.460 11.152 ( 13.586 0.000 6.931) 15.252 12.063 ( 5.299 0.000 0.946) 5.383 12.199 ( 8.903 0.000 -0.414) 8.913 12.733 ( 3.250 0.000 3.375) 4.686 12.808 ( -12.406 -0.000 0.923) 12.440 12.960 ( -4.642 -0.000 0.731) 4.700 13.142 ( -4.405 -0.000 -8.435) 9.516 14.225 ( -1.749 -0.000 3.200) 3.647 14.362 ( -0.128 -0.000 -11.900) 11.901 14.591 ( -11.067 -0.000 2.050) 11.255 14.609 ( -2.471 -0.000 5.089) 5.658 15.224 ( -3.542 -0.000 -1.134) 3.719 15.437 ( -2.953 -0.000 -1.935) 3.530 16.093 ( 1.352 0.000 5.093) 5.270 16.445 ( 5.931 0.000 -0.573) 5.959 16.931 ( 5.751 0.000 0.527) 5.776 16.978 ( 5.097 0.000 -1.150) 5.226 20.768 ( -1.373 -0.000 0.549) 1.479 20.860 ( 2.525 0.000 -0.261) 2.539 20.953 ( 4.711 0.000 0.695) 4.762 21.134 ( -5.177 -0.000 -5.924) 7.868 26.788 ( -5.188 -0.000 0.459) 5.208 27.142 ( -0.585 -0.000 -0.627) 0.858 27.245 ( -1.428 -0.000 -6.972) 7.116 27.335 ( 0.035 0.000 0.052) 0.062 27.336 ( -0.046 -0.000 -0.121) 0.130 27.607 ( 4.374 0.000 -5.880) 7.329 28.675 ( -1.006 -0.000 -0.096) 1.010 28.761 ( 0.198 0.000 -0.365) 0.415 29.099 ( 3.484 0.000 -0.021) 3.484 29.172 ( 8.371 0.000 -1.364) 8.482 29.390 ( 3.109 0.000 2.925) 4.269 29.721 ( 5.073 0.000 -15.656) 16.458 31.514 ( 2.716 0.000 1.869) 3.297 31.559 ( 0.385 0.000 -2.108) 2.143 31.844 ( -0.066 -0.000 2.190) 2.191 32.085 ( 8.123 0.000 8.202) 11.544 32.246 ( -11.868 -0.000 27.791) 30.219 33.325 ( -23.435 -0.000 -7.542) 24.619 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.471 -1.152 -2.868) 3.423 2.196 ( 7.109 6.676 7.526) 12.319 2.410 ( -5.143 -1.683 -3.437) 6.411 2.552 ( -0.007 3.207 -12.262) 12.675 2.674 ( 0.592 -14.920 -4.665) 15.643 2.799 ( 16.536 -4.821 1.745) 17.313 3.138 ( 5.726 -3.597 13.522) 15.118 3.367 ( -5.417 0.945 -23.199) 23.842 3.541 ( 0.342 5.620 -0.528) 5.655 3.756 ( 4.056 2.476 4.044) 6.240 3.838 ( -6.592 2.196 13.013) 14.752 4.017 ( -8.087 -0.644 6.057) 10.124 4.210 ( -1.117 3.429 0.698) 3.673 4.265 ( -3.459 3.931 -5.484) 7.582 4.482 ( 17.872 -1.723 23.050) 29.218 4.561 ( -15.228 0.952 -8.554) 17.493 4.765 ( 4.855 2.644 -0.694) 5.571 4.841 ( 5.726 -4.027 3.020) 7.624 4.982 ( -1.308 -4.020 -2.917) 5.136 5.022 ( 8.624 -7.253 4.956) 12.310 5.267 ( -2.189 -0.202 0.199) 2.208 5.383 ( -0.577 -0.088 -2.569) 2.634 5.600 ( 2.833 -0.324 -1.821) 3.384 5.669 ( -1.286 -2.097 -4.064) 4.751 5.804 ( 0.837 2.467 -3.430) 4.307 5.960 ( 11.577 -5.690 -4.232) 13.577 6.130 ( 3.160 1.425 -14.904) 15.302 6.230 ( -3.547 -2.137 -2.285) 4.730 6.378 ( 3.871 1.838 -3.224) 5.362 6.485 ( -7.696 16.160 4.762) 18.522 6.754 ( -10.595 -0.160 5.255) 11.828 6.867 ( -16.856 6.551 3.583) 18.436 7.007 ( -1.235 -2.417 0.828) 2.838 7.244 ( -17.281 -5.964 2.160) 18.408 7.285 ( 8.076 8.867 6.906) 13.839 7.508 ( 2.779 -11.281 0.695) 11.639 7.898 ( -10.919 8.687 -2.103) 14.111 8.092 ( -1.575 -3.528 3.145) 4.982 8.318 ( -7.082 4.743 -3.764) 9.318 8.440 ( -7.094 1.104 -0.634) 7.207 8.634 ( 0.287 -2.253 -2.891) 3.676 9.197 ( 0.793 6.719 0.298) 6.772 9.584 ( 6.386 4.247 -0.946) 7.728 9.775 ( 2.618 -3.006 1.078) 4.129 9.909 ( 4.735 -3.552 1.572) 6.125 9.917 ( 5.353 -2.888 -4.376) 7.493 10.448 ( 3.357 4.184 -3.353) 6.326 10.634 ( 3.359 4.030 7.244) 8.944 10.792 ( 0.170 -2.030 -5.502) 5.867 10.841 ( 5.518 -3.451 3.022) 7.176 10.972 ( 2.670 -1.178 0.361) 2.941 11.450 ( 9.318 -15.332 3.473) 18.275 12.158 ( 6.624 -4.659 0.707) 8.129 12.294 ( 8.157 -1.771 0.038) 8.347 12.701 ( -10.824 0.010 0.756) 10.850 12.732 ( -6.067 -1.024 1.029) 6.238 12.897 ( 0.266 6.624 1.119) 6.723 13.017 ( -5.738 6.207 -5.006) 9.824 14.225 ( -1.109 -0.193 2.835) 3.050 14.329 ( 1.572 -0.208 -9.750) 9.878 14.484 ( -9.003 1.716 2.445) 9.485 14.579 ( -2.834 2.815 3.470) 5.291 15.191 ( -1.391 0.625 -0.613) 1.643 15.401 ( -1.989 0.571 -1.450) 2.526 16.081 ( 0.866 4.052 2.845) 5.026 16.537 ( 3.946 -4.764 0.079) 6.187 17.001 ( 4.802 -1.926 0.525) 5.200 17.036 ( 3.940 -2.048 -0.762) 4.505 20.774 ( -1.291 -1.950 0.628) 2.422 20.865 ( 1.885 2.130 -0.106) 2.846 20.992 ( 3.459 0.375 0.558) 3.523 21.067 ( -4.192 0.158 -3.722) 5.608 26.750 ( -3.129 -0.122 1.299) 3.390 27.118 ( 1.431 3.327 -3.340) 4.926 27.186 ( -3.176 0.969 -2.499) 4.156 27.331 ( -0.041 0.217 -0.028) 0.223 27.340 ( 0.084 -0.192 0.019) 0.211 27.625 ( 2.568 -0.052 -3.489) 4.333 28.687 ( -0.487 -2.597 0.249) 2.654 28.836 ( 0.129 -7.946 -0.619) 7.971 29.121 ( 5.003 0.748 -0.617) 5.097 29.270 ( 4.876 -3.051 -0.503) 5.774 29.403 ( 1.936 1.712 2.221) 3.408 29.700 ( 0.699 0.952 -9.461) 9.535 31.448 ( 0.553 5.480 -1.233) 5.644 31.671 ( 2.569 -7.550 1.167) 8.060 31.835 ( -0.328 1.942 2.399) 3.104 32.193 ( 1.784 2.444 12.574) 12.933 32.219 ( 1.065 0.727 11.857) 11.927 33.043 ( -20.778 4.122 -8.727) 22.910 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.523 -2.831 0.144) 2.883 2.196 ( 2.769 5.200 6.583) 8.835 2.380 ( -4.996 -0.411 -6.825) 8.468 2.524 ( 6.792 -6.564 -0.301) 9.450 2.825 ( -11.956 -14.003 -15.505) 24.071 2.951 ( 8.690 6.587 3.612) 11.487 3.255 ( -0.847 -4.267 -0.831) 4.429 3.321 ( 3.610 -5.205 3.619) 7.296 3.444 ( -2.629 6.211 1.144) 6.841 3.807 ( 9.578 0.844 8.701) 12.967 3.866 ( 3.742 -4.372 3.438) 6.703 4.010 ( -3.338 -2.680 2.026) 4.736 4.140 ( 1.958 3.540 -5.467) 6.801 4.204 ( -0.930 1.768 1.508) 2.503 4.366 ( -11.377 3.362 -3.770) 12.448 4.565 ( -2.303 4.553 2.446) 5.658 4.765 ( 3.387 3.812 2.548) 5.701 4.842 ( -2.831 4.285 -1.644) 5.393 5.133 ( 3.821 -9.113 1.428) 9.984 5.194 ( 7.304 -0.533 4.885) 8.803 5.291 ( 1.388 -0.933 -2.404) 2.929 5.432 ( -0.065 -5.987 2.984) 6.690 5.541 ( -1.588 3.829 -8.481) 9.440 5.605 ( -4.754 4.226 -2.575) 6.862 5.841 ( 1.683 -5.660 2.730) 6.505 6.074 ( 6.050 6.364 -7.500) 11.548 6.146 ( 6.024 -1.892 3.067) 7.020 6.240 ( 4.823 3.354 1.505) 6.064 6.282 ( -2.205 -4.101 -1.680) 4.950 6.347 ( -5.364 1.390 -1.730) 5.805 6.621 ( -1.245 4.775 0.254) 4.942 6.726 ( -12.150 -3.124 2.971) 12.892 6.993 ( -5.698 7.167 -1.881) 9.347 7.174 ( 5.614 12.257 2.824) 13.774 7.221 ( -3.602 -7.029 1.067) 7.970 7.656 ( -6.783 7.719 -1.909) 10.452 7.716 ( 0.437 -10.480 0.313) 10.494 8.155 ( -0.799 -1.271 3.083) 3.429 8.231 ( 0.533 -1.854 -4.147) 4.574 8.337 ( -6.776 2.570 1.677) 7.438 8.678 ( 0.364 -3.262 0.291) 3.295 9.032 ( 0.336 13.936 0.063) 13.940 9.592 ( 2.920 -0.857 -0.913) 3.177 9.850 ( 0.815 -3.116 3.506) 4.761 9.952 ( 3.590 0.169 -6.186) 7.154 10.059 ( 2.621 -7.163 2.427) 8.004 10.403 ( 2.280 3.651 -1.424) 4.534 10.635 ( 1.990 2.376 6.255) 6.981 10.783 ( -1.461 -1.304 -6.315) 6.611 10.947 ( 3.223 -1.517 3.809) 5.215 11.033 ( -0.071 -4.870 -2.192) 5.341 11.754 ( 5.076 -10.466 1.311) 11.705 12.332 ( 9.072 -6.661 0.131) 11.255 12.430 ( 7.138 -6.962 0.552) 9.987 12.617 ( -7.542 -0.536 0.354) 7.569 12.686 ( -7.239 -0.606 -0.039) 7.264 12.739 ( -3.445 10.171 -1.076) 10.792 12.818 ( -4.260 10.222 -0.643) 11.093 14.232 ( -0.147 -0.526 1.917) 1.993 14.334 ( 3.356 -1.295 -6.401) 7.343 14.399 ( -5.759 0.874 2.287) 6.258 14.495 ( -2.755 5.252 2.051) 6.276 15.176 ( -0.190 0.219 -0.200) 0.353 15.375 ( -0.805 0.524 -0.662) 1.167 16.020 ( 0.112 4.337 0.923) 4.435 16.644 ( 1.823 -4.326 0.267) 4.702 17.073 ( 2.365 -2.119 0.279) 3.187 17.100 ( 1.980 -2.224 -0.296) 2.992 20.802 ( 0.391 -0.504 0.722) 0.963 20.827 ( -0.302 1.944 -0.637) 2.068 21.012 ( 0.564 -0.237 0.337) 0.698 21.032 ( -0.832 0.060 -1.310) 1.553 26.748 ( -0.772 -1.090 1.851) 2.282 27.037 ( 1.008 5.445 -3.255) 6.424 27.156 ( -2.769 -0.753 -0.687) 2.950 27.329 ( -0.041 0.011 -0.007) 0.044 27.343 ( 0.069 -0.043 0.002) 0.081 27.637 ( 1.194 -0.530 -0.776) 1.519 28.738 ( 0.073 -3.231 0.077) 3.233 28.984 ( 0.328 -9.246 -0.207) 9.255 29.164 ( 6.311 0.538 -1.551) 6.521 29.288 ( -4.252 1.787 1.124) 4.747 29.460 ( 8.463 -1.833 1.658) 8.817 29.631 ( -5.819 0.108 -4.792) 7.539 31.362 ( -0.051 4.466 -1.668) 4.767 31.792 ( -0.434 3.548 2.769) 4.521 31.829 ( 2.947 -7.091 1.619) 7.848 32.142 ( -1.124 4.493 6.066) 7.632 32.292 ( 4.054 2.685 4.144) 6.389 32.795 ( -11.338 1.530 -6.014) 12.925 ======================= Grid point 33 (23/115) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 9.753 -0.000) 9.753 2.082 ( -0.000 -1.699 0.000) 1.699 2.403 ( -0.000 -7.011 0.000) 7.011 2.838 ( 0.000 8.005 -0.000) 8.005 2.845 ( -0.000 -15.510 0.000) 15.510 2.893 ( -0.000 -14.768 0.000) 14.768 3.274 ( 0.000 9.037 -0.000) 9.037 3.416 ( -0.000 -4.722 0.000) 4.722 3.457 ( -0.000 -13.451 0.000) 13.451 3.863 ( 0.000 4.649 -0.000) 4.649 3.885 ( 0.000 9.120 -0.000) 9.120 4.011 ( 0.000 4.010 -0.000) 4.010 4.184 ( 0.000 0.052 -0.000) 0.052 4.201 ( -0.000 -12.387 0.000) 12.387 4.288 ( 0.000 1.493 -0.000) 1.493 4.390 ( 0.000 6.190 -0.000) 6.190 4.609 ( 0.000 13.697 -0.000) 13.697 4.839 ( -0.000 -2.541 0.000) 2.541 5.205 ( 0.000 3.524 -0.000) 3.524 5.257 ( 0.000 0.931 -0.000) 0.931 5.305 ( -0.000 -3.683 0.000) 3.683 5.443 ( 0.000 5.694 -0.000) 5.694 5.473 ( 0.000 1.080 -0.000) 1.080 5.576 ( -0.000 -5.530 0.000) 5.530 5.881 ( 0.000 9.072 -0.000) 9.072 5.973 ( -0.000 -2.717 0.000) 2.717 6.102 ( 0.000 10.540 -0.000) 10.540 6.279 ( -0.000 -5.366 0.000) 5.366 6.358 ( 0.000 0.888 -0.000) 0.888 6.416 ( -0.000 -12.738 0.000) 12.738 6.645 ( -0.000 -3.271 0.000) 3.271 6.651 ( 0.000 4.091 -0.000) 4.091 6.741 ( 0.000 16.697 -0.000) 16.697 7.120 ( -0.000 -4.852 0.000) 4.852 7.328 ( -0.000 -4.540 0.000) 4.540 7.545 ( 0.000 1.002 -0.000) 1.002 7.846 ( -0.000 -5.287 0.000) 5.287 8.174 ( -0.000 -2.946 0.000) 2.946 8.250 ( 0.000 0.889 -0.000) 0.889 8.344 ( -0.000 -7.544 0.000) 7.544 8.739 ( -0.000 -3.418 0.000) 3.418 8.793 ( 0.000 13.933 -0.000) 13.933 9.645 ( -0.000 -3.440 0.000) 3.440 9.904 ( -0.000 -0.944 0.000) 0.944 9.929 ( 0.000 2.604 -0.000) 2.604 10.182 ( -0.000 -4.985 0.000) 4.985 10.351 ( 0.000 4.010 -0.000) 4.010 10.634 ( 0.000 0.480 -0.000) 0.480 10.774 ( -0.000 -0.242 0.000) 0.242 10.962 ( 0.000 1.521 -0.000) 1.521 11.105 ( -0.000 -3.521 0.000) 3.521 11.849 ( 0.000 2.175 -0.000) 2.175 12.480 ( 0.000 13.430 -0.000) 13.430 12.542 ( -0.000 -10.087 0.000) 10.087 12.566 ( 0.000 7.762 -0.000) 7.762 12.607 ( 0.000 0.926 -0.000) 0.926 12.674 ( -0.000 -14.654 0.000) 14.654 12.694 ( -0.000 -0.497 0.000) 0.497 14.252 ( -0.000 -1.272 0.000) 1.272 14.350 ( 0.000 2.221 -0.000) 2.221 14.397 ( 0.000 2.559 -0.000) 2.559 14.400 ( -0.000 -3.675 0.000) 3.675 15.177 ( -0.000 -0.551 0.000) 0.551 15.365 ( 0.000 0.018 -0.000) 0.018 15.959 ( 0.000 3.243 -0.000) 3.243 16.702 ( -0.000 -1.470 0.000) 1.470 17.104 ( 0.000 0.072 -0.000) 0.072 17.131 ( -0.000 -0.292 0.000) 0.292 20.762 ( 0.000 3.139 -0.000) 3.139 20.843 ( -0.000 -1.649 0.000) 1.649 21.005 ( 0.000 1.026 -0.000) 1.026 21.044 ( -0.000 -1.838 0.000) 1.838 26.776 ( -0.000 -1.852 0.000) 1.852 26.961 ( 0.000 3.199 -0.000) 3.199 27.148 ( -0.000 -0.300 0.000) 0.300 27.330 ( -0.000 -0.200 0.000) 0.200 27.342 ( 0.000 0.127 -0.000) 0.127 27.664 ( -0.000 -2.268 0.000) 2.268 28.784 ( -0.000 -2.174 0.000) 2.174 29.096 ( -0.000 -2.326 0.000) 2.326 29.188 ( 0.000 5.045 -0.000) 5.045 29.226 ( -0.000 -3.765 0.000) 3.765 29.435 ( 0.000 9.123 -0.000) 9.123 29.719 ( -0.000 -13.802 0.000) 13.802 31.293 ( 0.000 3.428 -0.000) 3.428 31.727 ( 0.000 4.691 -0.000) 4.691 31.944 ( -0.000 -3.376 0.000) 3.376 32.083 ( 0.000 3.757 -0.000) 3.757 32.202 ( 0.000 8.278 -0.000) 8.278 32.797 ( -0.000 -8.112 0.000) 8.112 ======================= Grid point 40 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.647 0.000 -2.189) 2.283 2.309 ( 2.868 0.000 0.289) 2.882 2.345 ( -3.460 -0.000 -2.346) 4.180 2.387 ( -10.050 -0.000 -11.134) 14.999 2.711 ( 8.260 0.000 1.349) 8.369 2.858 ( 7.227 0.000 5.570) 9.124 3.199 ( 5.676 0.000 10.697) 12.110 3.369 ( 9.924 0.000 -15.543) 18.441 3.582 ( 0.135 0.000 -1.190) 1.198 3.761 ( -5.942 -0.000 11.979) 13.372 3.841 ( -1.692 -0.000 -4.178) 4.508 3.953 ( -7.909 -0.000 2.659) 8.344 4.217 ( -3.806 -0.000 11.872) 12.467 4.252 ( -5.189 -0.000 -6.279) 8.146 4.380 ( -7.615 -0.000 -15.869) 17.601 4.671 ( 6.013 0.000 10.214) 11.852 4.863 ( 5.880 0.000 2.588) 6.424 4.894 ( 3.001 0.000 2.116) 3.672 4.908 ( 0.709 0.000 0.790) 1.062 5.097 ( 11.982 0.000 12.835) 17.559 5.281 ( 8.387 0.000 0.564) 8.406 5.343 ( -3.098 -0.000 -2.354) 3.891 5.590 ( -5.043 -0.000 -2.060) 5.448 5.612 ( -3.947 -0.000 -7.498) 8.474 5.829 ( 4.422 0.000 2.203) 4.941 6.058 ( 15.361 0.000 -3.000) 15.651 6.088 ( -0.710 -0.000 -11.343) 11.365 6.191 ( -1.768 -0.000 -1.528) 2.337 6.340 ( -7.681 -0.000 -8.178) 11.220 6.628 ( -3.254 -0.000 2.664) 4.205 6.654 ( -11.611 -0.000 7.577) 13.865 6.742 ( -9.540 -0.000 -0.971) 9.589 7.027 ( -1.184 -0.000 4.652) 4.800 7.106 ( -4.816 -0.000 1.317) 4.993 7.374 ( 1.325 0.000 -0.253) 1.349 7.455 ( 3.555 0.000 3.849) 5.239 7.891 ( -6.835 -0.000 -2.340) 7.224 8.075 ( 2.908 0.000 4.144) 5.062 8.268 ( -9.231 -0.000 -3.257) 9.789 8.400 ( -1.935 -0.000 -1.309) 2.336 8.614 ( 1.156 0.000 -2.147) 2.438 9.248 ( 0.182 0.000 -0.198) 0.269 9.692 ( 4.244 0.000 -0.368) 4.260 9.772 ( 1.657 0.000 1.063) 1.969 9.900 ( 1.603 0.000 1.868) 2.462 9.931 ( 3.704 0.000 -3.708) 5.242 10.495 ( 1.191 0.000 -2.059) 2.379 10.719 ( -0.310 -0.000 5.764) 5.772 10.804 ( 2.870 0.000 -2.847) 4.043 10.805 ( 2.205 0.000 -0.871) 2.371 11.018 ( 1.732 0.000 0.583) 1.828 11.368 ( 5.009 0.000 2.493) 5.595 12.158 ( 3.259 0.000 0.658) 3.324 12.355 ( 6.330 0.000 0.042) 6.330 12.620 ( -6.985 -0.000 0.866) 7.038 12.672 ( -4.747 -0.000 0.072) 4.748 12.974 ( 1.148 0.000 1.289) 1.726 13.012 ( -3.537 -0.000 -3.271) 4.818 14.222 ( -0.538 -0.000 1.514) 1.607 14.315 ( 2.533 0.000 -7.535) 7.949 14.428 ( -7.198 -0.000 3.631) 8.062 14.596 ( -1.170 -0.000 1.571) 1.959 15.185 ( -0.570 -0.000 -0.277) 0.634 15.386 ( -1.141 -0.000 -0.829) 1.411 16.138 ( 0.596 0.000 1.756) 1.855 16.520 ( 2.138 0.000 -0.173) 2.145 17.024 ( 2.856 0.000 0.350) 2.877 17.045 ( 2.235 0.000 -0.429) 2.275 20.747 ( -0.902 -0.000 0.294) 0.949 20.904 ( 1.786 0.000 0.494) 1.853 21.019 ( -3.117 -0.000 -2.455) 3.968 21.025 ( 2.032 0.000 0.328) 2.058 26.726 ( -1.770 -0.000 0.554) 1.854 27.133 ( -0.157 -0.000 -0.121) 0.198 27.184 ( -0.647 -0.000 -3.188) 3.253 27.335 ( -0.016 -0.000 -0.015) 0.022 27.336 ( 0.023 0.000 0.025) 0.033 27.633 ( 1.450 0.000 -1.849) 2.350 28.661 ( -0.358 -0.000 0.014) 0.358 28.761 ( 0.038 0.000 -0.106) 0.113 29.149 ( 1.534 0.000 0.023) 1.535 29.302 ( 5.471 0.000 -1.284) 5.619 29.421 ( -1.189 -0.000 1.848) 2.198 29.702 ( 1.139 0.000 -4.733) 4.868 31.553 ( 0.138 0.000 -0.816) 0.827 31.567 ( 1.375 0.000 0.842) 1.612 31.855 ( 0.118 0.000 0.542) 0.555 32.232 ( -3.832 -0.000 8.816) 9.613 32.343 ( 11.387 0.000 8.727) 14.346 32.854 ( -17.741 -0.000 -8.686) 19.753 ======================= Grid point 41 (25/115) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.000 -0.843 0.000) 0.843 2.290 ( 0.000 0.896 -0.000) 0.896 2.331 ( -0.000 -0.456 0.000) 0.456 2.427 ( -0.000 -9.366 0.000) 9.366 2.652 ( 0.000 5.473 -0.000) 5.473 3.036 ( -0.000 -11.863 0.000) 11.863 3.186 ( 0.000 8.711 -0.000) 8.711 3.362 ( 0.000 2.815 -0.000) 2.815 3.543 ( 0.000 4.610 -0.000) 4.610 3.819 ( -0.000 -5.615 0.000) 5.615 3.834 ( -0.000 -2.912 0.000) 2.912 3.930 ( -0.000 -2.313 0.000) 2.313 4.179 ( 0.000 3.561 -0.000) 3.561 4.217 ( 0.000 2.037 -0.000) 2.037 4.311 ( -0.000 -1.381 0.000) 1.381 4.680 ( 0.000 4.536 -0.000) 4.536 4.855 ( 0.000 5.696 -0.000) 5.696 4.898 ( 0.000 3.001 -0.000) 3.001 4.981 ( -0.000 -10.465 0.000) 10.465 5.247 ( -0.000 -6.045 0.000) 6.045 5.323 ( 0.000 5.095 -0.000) 5.095 5.334 ( -0.000 -2.244 0.000) 2.244 5.495 ( 0.000 2.414 -0.000) 2.414 5.652 ( -0.000 -6.309 0.000) 6.309 5.822 ( 0.000 4.646 -0.000) 4.646 6.137 ( -0.000 -8.817 0.000) 8.817 6.154 ( 0.000 2.661 -0.000) 2.661 6.157 ( -0.000 -2.575 0.000) 2.575 6.281 ( -0.000 -0.312 0.000) 0.312 6.454 ( 0.000 11.647 -0.000) 11.647 6.605 ( -0.000 -1.245 0.000) 1.245 6.737 ( 0.000 7.313 -0.000) 7.313 7.030 ( -0.000 -8.248 0.000) 8.248 7.059 ( 0.000 3.383 -0.000) 3.383 7.406 ( 0.000 8.973 -0.000) 8.973 7.528 ( -0.000 -12.773 0.000) 12.773 7.771 ( 0.000 8.959 -0.000) 8.959 8.146 ( -0.000 -4.102 0.000) 4.102 8.179 ( 0.000 2.249 -0.000) 2.249 8.370 ( 0.000 2.696 -0.000) 2.696 8.633 ( -0.000 -2.117 0.000) 2.117 9.207 ( 0.000 6.033 -0.000) 6.033 9.647 ( 0.000 5.469 -0.000) 5.469 9.804 ( -0.000 -2.690 0.000) 2.690 9.955 ( -0.000 -0.910 0.000) 0.910 9.962 ( -0.000 -5.841 0.000) 5.841 10.466 ( 0.000 3.131 -0.000) 3.131 10.723 ( 0.000 4.841 -0.000) 4.841 10.740 ( -0.000 -1.160 0.000) 1.160 10.918 ( -0.000 -6.646 0.000) 6.646 10.990 ( 0.000 2.159 -0.000) 2.159 11.553 ( -0.000 -15.096 0.000) 15.096 12.238 ( -0.000 -7.294 0.000) 7.294 12.399 ( -0.000 -1.662 0.000) 1.662 12.580 ( 0.000 0.572 -0.000) 0.572 12.648 ( 0.000 0.044 -0.000) 0.044 12.899 ( 0.000 8.843 -0.000) 8.843 12.943 ( 0.000 6.256 -0.000) 6.256 14.226 ( -0.000 -0.389 0.000) 0.389 14.323 ( -0.000 -1.099 0.000) 1.099 14.385 ( 0.000 1.478 -0.000) 1.478 14.565 ( 0.000 3.449 -0.000) 3.449 15.179 ( 0.000 0.327 -0.000) 0.327 15.376 ( 0.000 0.329 -0.000) 0.329 16.100 ( 0.000 4.558 -0.000) 4.558 16.575 ( -0.000 -4.699 0.000) 4.699 17.053 ( -0.000 -1.680 0.000) 1.680 17.073 ( -0.000 -1.952 0.000) 1.952 20.762 ( -0.000 -2.190 0.000) 2.190 20.888 ( 0.000 3.126 -0.000) 3.126 21.003 ( -0.000 -0.561 0.000) 0.561 21.033 ( 0.000 0.271 -0.000) 0.271 26.727 ( -0.000 -0.924 0.000) 0.924 27.128 ( 0.000 5.134 -0.000) 5.134 27.135 ( -0.000 -0.317 0.000) 0.317 27.331 ( 0.000 0.243 -0.000) 0.243 27.341 ( -0.000 -0.235 0.000) 0.235 27.637 ( -0.000 -0.035 0.000) 0.035 28.683 ( -0.000 -2.823 0.000) 2.823 28.835 ( -0.000 -8.017 0.000) 8.017 29.174 ( -0.000 -1.834 0.000) 1.834 29.311 ( 0.000 2.087 -0.000) 2.087 29.435 ( -0.000 -2.738 0.000) 2.738 29.665 ( 0.000 4.047 -0.000) 4.047 31.448 ( 0.000 6.224 -0.000) 6.224 31.704 ( -0.000 -9.011 0.000) 9.011 31.840 ( 0.000 1.935 -0.000) 1.935 32.206 ( 0.000 2.748 -0.000) 2.748 32.407 ( 0.000 3.565 -0.000) 3.565 32.723 ( 0.000 0.606 -0.000) 0.606 ======================= Grid point 83 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -11.107 -0.000 45.798) 47.126 0.961 ( 1.426 0.000 46.032) 46.054 1.569 ( 7.245 0.000 75.413) 75.761 2.081 ( -0.577 -0.000 6.517) 6.543 2.229 ( -8.419 -0.000 -6.433) 10.596 2.709 ( 10.590 0.000 8.339) 13.480 3.151 ( 12.595 0.000 3.973) 13.207 3.300 ( -7.138 -0.000 -22.285) 23.400 3.562 ( -4.665 -0.000 -12.573) 13.410 3.577 ( -5.325 -0.000 -5.382) 7.571 3.748 ( -2.166 -0.000 -4.267) 4.785 3.911 ( -2.140 -0.000 -10.950) 11.157 4.474 ( 3.912 0.000 9.507) 10.280 4.477 ( 6.007 0.000 5.634) 8.235 4.557 ( -7.016 -0.000 -1.017) 7.090 4.630 ( 5.336 0.000 4.023) 6.683 4.720 ( -3.985 -0.000 -1.221) 4.168 4.986 ( 0.127 0.000 -1.337) 1.343 5.165 ( -6.549 -0.000 -8.543) 10.764 5.243 ( -8.165 -0.000 -5.175) 9.667 5.267 ( 0.250 0.000 -5.912) 5.918 5.367 ( -2.343 -0.000 -2.565) 3.474 5.442 ( -1.647 -0.000 -1.861) 2.485 5.647 ( 0.068 0.000 -36.353) 36.353 5.679 ( 0.346 0.000 2.996) 3.016 5.983 ( 9.980 0.000 -9.324) 13.658 6.034 ( -10.995 -0.000 11.781) 16.115 6.216 ( 2.582 0.000 1.643) 3.061 6.380 ( -16.810 -0.000 3.348) 17.140 6.402 ( 10.691 0.000 -4.468) 11.587 6.587 ( 9.086 0.000 10.638) 13.990 6.914 ( 0.649 0.000 -2.246) 2.338 6.970 ( 16.985 0.000 -2.036) 17.107 7.175 ( -1.820 -0.000 -4.268) 4.640 8.495 ( 1.444 0.000 2.358) 2.765 8.626 ( -1.481 -0.000 6.133) 6.309 8.781 ( -5.646 -0.000 29.445) 29.981 8.833 ( 8.225 0.000 -0.662) 8.252 8.870 ( -0.856 -0.000 0.944) 1.274 8.964 ( -6.701 -0.000 2.033) 7.003 9.217 ( -0.920 -0.000 -5.367) 5.445 9.363 ( 1.066 0.000 -4.162) 4.296 9.425 ( 4.081 0.000 -0.066) 4.081 9.630 ( -1.436 -0.000 -2.138) 2.576 9.643 ( -9.306 -0.000 -17.203) 19.558 9.778 ( 6.155 0.000 17.373) 18.431 10.252 ( 5.008 0.000 6.151) 7.932 10.347 ( 0.948 0.000 0.504) 1.074 10.412 ( 25.678 0.000 -11.395) 28.093 10.461 ( 3.701 0.000 3.007) 4.769 10.588 ( 1.902 0.000 -2.913) 3.479 10.656 ( -18.940 -0.000 -3.051) 19.184 11.769 ( -15.697 -0.000 1.343) 15.754 11.843 ( 2.146 0.000 -1.590) 2.671 11.915 ( -1.033 -0.000 0.316) 1.080 11.944 ( 0.535 0.000 1.586) 1.674 13.328 ( 0.144 0.000 0.658) 0.674 13.336 ( -0.492 -0.000 0.123) 0.508 14.276 ( 2.356 0.000 -4.963) 5.494 14.603 ( -6.614 -0.000 -9.873) 11.884 14.665 ( 3.317 0.000 9.651) 10.206 14.908 ( 0.257 0.000 2.205) 2.220 15.542 ( -1.221 -0.000 0.608) 1.364 15.601 ( 0.942 0.000 -0.499) 1.066 16.142 ( -1.644 -0.000 1.056) 1.954 16.219 ( 0.098 0.000 -0.606) 0.614 16.787 ( -0.154 -0.000 0.218) 0.267 16.803 ( 0.254 0.000 -0.132) 0.286 20.750 ( -0.763 -0.000 0.124) 0.773 20.753 ( 0.779 0.000 0.239) 0.814 20.765 ( -0.729 -0.000 -0.186) 0.753 20.773 ( -0.206 -0.000 -0.171) 0.268 26.925 ( -9.511 -0.000 0.775) 9.543 27.077 ( 0.121 0.000 -2.807) 2.809 27.250 ( 4.161 0.000 2.220) 4.716 27.334 ( -0.008 -0.000 0.008) 0.011 27.335 ( 0.044 0.000 -0.116) 0.124 27.405 ( -3.858 -0.000 -0.887) 3.959 28.744 ( 3.133 0.000 0.670) 3.204 28.800 ( -3.686 -0.000 -1.127) 3.854 28.865 ( -1.523 -0.000 0.999) 1.822 28.879 ( 2.397 0.000 0.784) 2.522 28.962 ( -0.884 -0.000 0.688) 1.120 28.998 ( 2.322 0.000 0.259) 2.337 31.441 ( -0.318 -0.000 0.553) 0.638 31.549 ( -0.745 -0.000 -2.028) 2.161 31.773 ( 3.426 0.000 0.858) 3.532 31.838 ( -2.065 -0.000 -0.415) 2.107 34.219 ( 8.063 0.000 0.284) 8.068 34.248 ( -0.643 -0.000 -0.373) 0.744 ======================= Grid point 84 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 3.594 -14.753 29.873) 33.511 1.256 ( 10.671 -9.789 39.251) 41.837 2.066 ( -3.495 -2.576 -3.219) 5.404 2.196 ( 2.665 -17.678 33.283) 37.781 2.458 ( 14.520 -21.444 27.430) 37.724 2.895 ( 17.160 -6.221 9.050) 20.373 3.085 ( -10.319 1.851 -27.505) 29.436 3.249 ( -8.125 3.032 3.706) 9.431 3.386 ( 6.587 6.595 -4.869) 10.516 3.667 ( -1.981 -4.860 -20.744) 21.398 3.815 ( 7.587 3.007 -19.385) 21.033 3.846 ( -4.272 -7.322 11.490) 14.279 4.361 ( -11.126 3.718 -11.162) 16.192 4.491 ( -3.448 5.776 1.539) 6.900 4.534 ( -2.733 7.111 3.773) 8.501 4.634 ( 14.218 1.082 -3.031) 14.578 4.746 ( 1.873 0.154 -1.917) 2.685 4.961 ( -0.182 7.655 3.961) 8.621 5.009 ( 9.119 -1.087 4.858) 10.389 5.186 ( -6.083 5.941 -7.913) 11.615 5.306 ( -8.177 -4.473 -6.374) 11.291 5.312 ( -4.455 -4.455 -6.516) 9.063 5.442 ( 1.333 -2.203 -1.541) 3.001 5.528 ( -0.855 -2.523 -17.121) 17.327 5.777 ( 4.033 -3.424 -0.590) 5.323 5.961 ( -3.112 -2.887 0.015) 4.245 6.088 ( -1.396 3.414 -6.555) 7.521 6.140 ( 0.608 4.914 -1.074) 5.066 6.240 ( -8.391 -5.692 3.113) 10.607 6.579 ( 10.370 -0.717 5.262) 11.651 6.747 ( 7.835 -6.863 4.467) 11.333 6.880 ( 8.093 3.696 -1.597) 9.039 7.098 ( -2.384 3.246 -5.273) 6.635 7.170 ( 4.361 -6.260 -9.136) 11.903 8.375 ( -11.174 18.761 14.741) 26.347 8.487 ( -6.321 21.088 13.198) 25.668 8.600 ( -8.367 9.471 11.730) 17.242 8.694 ( -13.397 11.090 5.356) 18.198 8.778 ( -10.218 6.925 -3.293) 12.776 8.929 ( -5.659 -2.756 1.675) 6.513 9.150 ( -4.696 17.492 1.357) 18.162 9.238 ( -4.445 19.117 3.722) 19.977 9.306 ( -7.966 3.416 -1.013) 8.726 9.553 ( 4.211 -3.679 -4.421) 7.128 9.607 ( -1.972 -4.439 -9.057) 10.277 9.809 ( -3.250 -4.944 3.076) 6.668 9.924 ( 10.775 -0.404 9.753) 14.539 10.378 ( -0.021 -3.930 9.815) 10.573 10.427 ( 8.017 -6.878 -0.433) 10.572 10.608 ( 6.948 -3.336 -1.657) 7.883 10.671 ( 5.177 -8.471 1.539) 10.047 10.703 ( 0.471 -7.030 -1.204) 7.148 11.801 ( 2.455 -1.983 0.870) 3.274 11.956 ( 4.776 -1.597 -0.033) 5.036 12.131 ( 11.170 -15.776 2.738) 19.523 12.668 ( 15.019 -37.298 -32.967) 51.996 13.275 ( -2.508 5.046 0.826) 5.695 13.282 ( -3.524 4.374 -0.272) 5.624 14.290 ( 1.279 -0.797 -2.137) 2.615 14.482 ( -4.310 2.117 -9.791) 10.904 14.710 ( -0.306 2.044 8.511) 8.758 14.861 ( -1.485 4.982 0.496) 5.222 15.479 ( -4.012 4.577 0.113) 6.088 15.551 ( -1.263 4.649 -0.842) 4.891 16.152 ( -2.472 3.781 6.960) 8.297 16.208 ( 1.998 -6.743 0.295) 7.039 16.792 ( 0.289 -0.880 0.207) 0.949 16.818 ( 0.791 -2.035 -0.528) 2.247 20.745 ( -0.711 0.312 0.598) 0.980 20.772 ( 0.233 -1.136 -0.510) 1.267 20.810 ( 2.875 -2.319 0.360) 3.711 21.009 ( 8.051 -13.546 -15.049) 21.790 26.908 ( 2.408 1.493 -0.226) 2.843 27.044 ( -3.257 1.450 -2.419) 4.308 27.278 ( 4.702 2.011 3.308) 6.091 27.335 ( 0.000 -0.056 -0.028) 0.063 27.339 ( 0.312 -0.198 0.297) 0.474 27.489 ( -3.853 -9.937 -14.605) 18.080 28.772 ( -1.997 -2.087 1.426) 3.221 28.788 ( -1.093 -2.730 -1.940) 3.523 28.895 ( 2.408 -1.372 0.469) 2.811 28.940 ( 5.169 0.400 0.503) 5.209 29.063 ( 4.337 -8.354 0.528) 9.427 29.204 ( 8.409 -18.251 -10.973) 22.895 31.435 ( -0.790 0.725 0.303) 1.114 31.555 ( 0.302 -2.003 -2.536) 3.246 31.819 ( -1.620 -0.375 -1.078) 1.982 31.837 ( 4.593 -2.533 2.083) 5.643 33.559 ( -22.656 47.464 39.116) 65.545 34.112 ( -7.450 11.124 -2.405) 13.603 ======================= Grid point 85 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 16.847 -23.635 12.126) 31.456 1.697 ( 13.340 -14.817 20.581) 28.655 2.081 ( -3.578 -6.662 -7.294) 10.507 2.447 ( -0.150 -9.183 6.034) 10.989 2.837 ( -5.447 2.929 -21.379) 22.255 2.989 ( 9.939 -5.635 17.023) 20.502 3.087 ( -13.295 -2.133 4.929) 14.339 3.244 ( 14.072 11.961 -8.540) 20.348 3.366 ( 6.828 0.543 2.490) 7.288 3.639 ( -1.684 -10.328 -10.697) 14.964 3.729 ( 9.803 -8.662 9.190) 15.987 4.009 ( -7.485 -1.143 10.597) 13.024 4.205 ( -1.585 -0.375 -11.221) 11.338 4.271 ( -1.323 13.899 0.399) 13.968 4.394 ( -5.584 5.618 -8.202) 11.402 4.669 ( 5.249 5.390 -0.693) 7.555 4.812 ( 11.755 -1.395 -5.952) 13.250 4.948 ( 5.344 2.116 1.630) 5.975 4.977 ( -15.006 2.408 9.349) 17.843 5.117 ( -2.364 0.747 0.362) 2.505 5.207 ( -1.218 0.845 -2.672) 3.056 5.372 ( -7.550 -8.233 -1.825) 11.319 5.483 ( -0.717 -4.965 -5.147) 7.187 5.581 ( 3.992 -6.267 -13.746) 15.625 5.785 ( 1.382 5.046 -3.521) 6.307 5.914 ( -1.495 1.528 5.541) 5.939 6.099 ( 2.430 -3.628 -1.701) 4.686 6.139 ( 6.869 -1.028 1.043) 7.023 6.285 ( -5.614 -3.960 2.348) 7.261 6.646 ( 3.331 1.889 5.372) 6.598 6.787 ( -2.437 3.446 -4.243) 5.985 6.975 ( 9.179 7.187 -2.903) 12.014 7.049 ( 3.225 -5.598 -6.325) 9.041 7.217 ( 1.426 -2.926 -8.306) 8.921 7.837 ( -11.193 31.745 18.922) 38.614 7.973 ( -25.211 24.011 11.417) 36.640 8.391 ( -8.671 10.146 0.333) 13.351 8.468 ( -7.816 9.418 2.356) 12.463 8.541 ( -7.080 7.499 0.636) 10.333 8.766 ( -2.203 7.434 -3.936) 8.696 8.914 ( -6.077 5.424 1.987) 8.384 9.146 ( -1.010 2.933 5.454) 6.275 9.327 ( 0.145 -5.779 -1.797) 6.054 9.618 ( 3.150 -5.287 -12.511) 13.943 9.693 ( 1.451 -4.898 3.633) 6.269 9.941 ( -2.418 -9.122 3.724) 10.146 10.027 ( 6.936 0.622 3.754) 7.912 10.477 ( -1.399 -4.174 6.861) 8.152 10.618 ( 6.120 -9.334 -4.791) 12.146 10.778 ( 8.190 -7.594 0.554) 11.182 10.836 ( 5.568 -6.684 3.227) 9.279 10.923 ( 9.740 -11.705 -4.769) 15.956 11.888 ( 2.292 -5.160 1.413) 5.820 12.048 ( 4.907 -4.253 -0.368) 6.504 12.524 ( 9.986 -14.381 5.486) 18.348 12.977 ( 2.155 -6.016 -17.528) 18.657 13.135 ( -4.081 7.440 0.880) 8.532 13.160 ( -3.360 3.657 -4.294) 6.565 14.269 ( -1.824 2.491 -3.596) 4.740 14.423 ( -0.073 -1.092 -3.804) 3.958 14.652 ( -3.044 6.345 6.599) 9.648 14.745 ( -2.581 6.094 -0.415) 6.632 15.343 ( -4.723 5.943 -0.394) 7.601 15.449 ( -0.926 5.188 -2.983) 6.056 16.122 ( -2.165 1.471 9.722) 10.069 16.368 ( 3.830 -8.416 -1.022) 9.302 16.837 ( 1.803 -3.485 0.347) 3.939 16.886 ( 2.166 -4.721 -1.066) 5.302 20.729 ( -0.510 1.661 1.540) 2.322 20.803 ( 0.585 -2.423 -0.621) 2.569 20.892 ( 3.123 -3.645 1.041) 4.912 21.118 ( 1.821 -2.014 -12.286) 12.582 26.882 ( -0.015 3.727 -0.143) 3.729 26.973 ( -3.007 1.497 0.052) 3.359 27.308 ( 3.270 0.417 1.536) 3.637 27.335 ( -0.083 -0.023 -0.233) 0.248 27.356 ( 2.102 -0.418 1.292) 2.503 27.495 ( -3.040 -3.113 -16.379) 16.947 28.781 ( -0.789 -0.152 0.866) 1.182 28.830 ( -1.081 -3.501 -1.977) 4.163 28.961 ( 3.653 -2.537 -0.097) 4.449 29.014 ( 3.049 -4.971 2.473) 6.334 29.245 ( 4.561 -7.285 2.319) 8.902 29.514 ( 7.154 -15.206 -16.074) 23.255 31.403 ( -1.798 1.386 -0.798) 2.407 31.592 ( 1.918 -1.978 -2.434) 3.676 31.808 ( -1.898 -0.803 -0.836) 2.223 31.964 ( 6.081 -5.762 2.597) 8.771 32.886 ( -15.771 31.943 42.912) 55.772 33.755 ( -11.745 18.253 -7.002) 22.807 ======================= Grid point 86 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -1.770 -9.508 -0.950) 9.718 2.158 ( 9.150 -12.864 7.848) 17.630 2.231 ( 10.559 -13.609 -8.010) 18.996 2.572 ( 8.988 1.014 -0.523) 9.060 2.637 ( -10.202 -2.154 -10.694) 14.936 3.012 ( 5.555 6.079 -2.181) 8.518 3.112 ( -3.790 -3.178 0.506) 4.972 3.266 ( 5.663 6.443 7.169) 11.179 3.340 ( 8.900 -10.487 -1.895) 13.885 3.688 ( 4.551 -0.069 -11.523) 12.389 3.877 ( -12.876 1.722 -0.536) 13.001 4.008 ( -0.153 11.107 3.540) 11.658 4.102 ( -4.215 8.228 -2.351) 9.539 4.277 ( 3.634 2.277 -15.585) 16.164 4.329 ( 5.317 -15.248 17.394) 23.735 4.615 ( 5.732 3.977 5.254) 8.734 4.824 ( -9.650 -0.071 5.155) 10.940 4.929 ( -0.660 -0.224 6.403) 6.441 5.015 ( 4.412 -1.856 -2.934) 5.614 5.063 ( 2.091 -1.962 4.481) 5.320 5.210 ( -5.776 -4.363 0.640) 7.267 5.378 ( -5.232 -1.034 -4.784) 7.164 5.577 ( 0.415 -5.199 1.875) 5.542 5.629 ( 1.492 -3.903 -16.078) 16.612 5.750 ( 4.027 -0.222 0.548) 4.070 5.952 ( 2.248 -0.150 4.290) 4.846 6.168 ( 2.892 -3.288 2.202) 4.901 6.240 ( 7.577 2.348 -1.869) 8.149 6.278 ( -4.560 -1.414 8.607) 9.843 6.597 ( -1.681 3.783 -11.455) 12.180 6.692 ( -4.857 2.836 -1.576) 5.841 6.809 ( -4.891 11.013 -0.056) 12.050 7.074 ( -3.297 0.245 1.207) 3.520 7.156 ( 6.154 20.356 2.036) 21.363 7.491 ( -5.605 12.429 7.614) 15.616 7.556 ( -9.206 -3.181 -0.899) 9.782 8.121 ( -10.667 9.288 -4.959) 14.988 8.279 ( -5.828 4.659 -2.097) 7.750 8.378 ( -2.951 8.969 4.273) 10.364 8.669 ( 1.247 5.874 1.523) 6.195 8.754 ( -4.035 5.910 -0.514) 7.175 9.133 ( -3.443 -0.882 7.457) 8.261 9.448 ( 1.291 -7.417 0.092) 7.529 9.697 ( 3.149 -5.344 -9.979) 11.750 9.785 ( 1.423 -2.187 7.161) 7.622 10.052 ( -1.261 -5.930 -5.284) 8.042 10.097 ( 2.927 -1.702 9.746) 10.317 10.548 ( 0.514 -2.556 6.657) 7.149 10.798 ( 2.715 -8.238 -4.119) 9.602 10.926 ( 3.397 -6.035 -3.911) 7.953 11.000 ( 2.455 -5.166 1.489) 5.910 11.194 ( 14.375 -8.407 -7.353) 18.204 12.007 ( 2.265 -5.571 1.620) 6.228 12.186 ( 5.707 -6.734 -1.069) 8.891 12.717 ( -0.171 0.468 2.895) 2.937 12.889 ( -4.295 6.253 -2.600) 8.019 13.008 ( 0.005 2.735 0.935) 2.890 13.110 ( -1.425 -0.319 -8.043) 8.174 14.191 ( -1.728 2.034 -3.712) 4.571 14.450 ( 1.363 -1.114 0.615) 1.865 14.508 ( -4.947 7.991 3.564) 10.051 14.634 ( -1.908 4.654 0.153) 5.032 15.226 ( -2.795 3.235 -0.532) 4.308 15.359 ( 0.332 3.453 -4.684) 5.829 16.119 ( -3.334 0.732 10.715) 11.246 16.517 ( 3.596 -5.835 -2.111) 7.172 16.933 ( 2.813 -4.825 0.421) 5.602 16.988 ( 2.365 -4.856 -0.688) 5.444 20.691 ( -1.009 2.784 1.897) 3.517 20.855 ( 0.760 -3.537 -0.650) 3.676 20.980 ( 2.261 -3.175 1.028) 4.031 21.075 ( -0.152 2.697 -6.998) 7.501 26.802 ( -1.818 4.099 1.914) 4.875 26.954 ( -0.795 -0.293 2.002) 2.174 27.327 ( 0.540 -0.215 -0.165) 0.604 27.332 ( -0.048 0.030 -0.725) 0.727 27.383 ( -0.869 -0.957 -5.780) 5.923 27.471 ( 3.620 -1.326 -6.710) 7.739 28.770 ( -0.625 0.896 0.895) 1.412 28.858 ( -1.630 -2.450 -2.055) 3.589 29.044 ( 5.034 -2.623 -1.345) 5.834 29.150 ( 0.975 -6.802 3.428) 7.679 29.381 ( 2.235 -3.677 3.627) 5.627 29.719 ( 5.285 -10.048 -12.344) 16.771 31.354 ( -2.334 1.598 -1.392) 3.153 31.626 ( 2.971 -0.046 -1.776) 3.462 31.800 ( -2.430 -0.665 0.175) 2.525 32.148 ( 6.385 -7.586 2.087) 10.133 32.494 ( -9.951 19.219 32.596) 39.127 33.299 ( -11.608 18.250 -10.919) 24.228 ======================= Grid point 87 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -5.897 -5.594 -4.292) 9.192 2.291 ( -9.276 -0.472 -18.764) 20.937 2.441 ( 7.857 -13.902 3.257) 16.297 2.673 ( 11.066 4.551 14.088) 18.483 2.686 ( 4.944 -4.609 -3.651) 7.682 2.948 ( 13.118 10.759 -1.705) 17.051 3.176 ( -6.308 -9.417 -0.534) 11.347 3.317 ( 6.408 1.621 16.520) 17.794 3.598 ( 4.153 -0.576 -4.773) 6.353 3.624 ( 5.678 -4.327 -6.555) 9.692 3.685 ( -4.885 9.792 -10.767) 15.351 3.924 ( -2.257 -6.866 -4.467) 8.497 4.014 ( -0.809 1.574 4.794) 5.110 4.180 ( -0.852 1.236 -14.077) 14.156 4.405 ( -5.614 3.784 6.448) 9.350 4.616 ( 1.434 2.677 3.983) 5.008 4.760 ( -6.411 5.057 2.673) 8.592 4.936 ( -2.969 0.619 0.084) 3.034 5.099 ( 3.408 -0.097 2.795) 4.409 5.195 ( 7.094 -3.002 -5.801) 9.643 5.242 ( -2.990 -8.054 0.866) 8.634 5.412 ( -0.392 -6.280 5.676) 8.474 5.622 ( 1.353 -0.443 1.337) 1.953 5.680 ( -0.020 -1.353 -5.310) 5.480 5.764 ( -4.337 -3.779 -1.705) 6.000 5.929 ( -3.612 2.164 -0.990) 4.325 6.178 ( 4.826 7.136 4.612) 9.772 6.278 ( -2.115 -2.616 -1.964) 3.895 6.318 ( -0.033 -6.396 1.920) 6.678 6.431 ( -10.203 10.271 1.188) 14.526 6.566 ( 5.212 0.206 0.810) 5.278 6.690 ( -7.372 2.244 -0.215) 7.709 6.939 ( 8.961 13.881 9.340) 18.980 7.042 ( 0.730 0.677 0.497) 1.113 7.365 ( -1.305 -0.268 -0.196) 1.346 7.625 ( -0.870 -4.307 -3.250) 5.465 7.884 ( -8.662 4.736 -6.321) 11.722 8.194 ( 0.684 1.343 -5.798) 5.990 8.260 ( -0.661 3.513 2.275) 4.237 8.563 ( -1.002 6.622 5.121) 8.430 8.697 ( 2.134 1.538 -1.241) 2.908 9.156 ( -4.671 -2.406 9.542) 10.893 9.568 ( 0.569 -5.604 0.371) 5.645 9.755 ( 3.079 -1.462 -7.480) 8.220 9.845 ( 0.929 0.023 10.185) 10.228 10.086 ( 0.639 -1.984 -6.566) 6.889 10.190 ( -1.218 -3.055 11.112) 11.588 10.619 ( 1.297 -1.572 7.980) 8.236 10.887 ( -0.887 -3.526 -4.106) 5.484 11.009 ( 1.927 -2.244 -6.732) 7.354 11.052 ( -1.128 -1.224 -2.297) 2.837 11.357 ( 8.848 -1.212 -9.200) 12.821 12.099 ( 0.414 -2.743 1.526) 3.166 12.336 ( 4.129 -4.327 -2.674) 6.552 12.648 ( -1.861 2.409 0.309) 3.060 12.728 ( -3.355 5.744 -0.952) 6.720 13.040 ( 1.565 -1.731 0.581) 2.405 13.058 ( -1.240 1.186 -2.829) 3.308 14.165 ( 0.754 -0.843 -2.287) 2.552 14.353 ( -3.379 6.358 3.244) 7.897 14.488 ( 1.811 -1.266 -0.008) 2.209 14.564 ( -1.794 1.511 0.674) 2.441 15.182 ( -0.548 0.403 -0.309) 0.747 15.313 ( 1.504 0.859 -5.458) 5.727 16.107 ( -4.811 1.015 10.987) 12.037 16.600 ( 2.367 -1.856 -2.714) 4.052 17.022 ( 1.730 -2.538 0.150) 3.075 17.060 ( 0.769 -1.840 -0.034) 1.995 20.644 ( -1.198 1.872 1.340) 2.595 20.926 ( 0.968 -4.172 -0.899) 4.376 21.002 ( -0.359 3.071 -3.266) 4.497 21.039 ( 1.532 -1.450 0.999) 2.334 26.753 ( 0.261 1.922 3.742) 4.215 26.970 ( -1.234 -1.307 3.580) 4.006 27.309 ( -2.305 -0.179 -8.395) 8.708 27.334 ( 0.132 0.055 0.038) 0.148 27.347 ( -1.170 -0.155 -3.017) 3.239 27.552 ( 7.142 -2.757 -1.347) 7.773 28.751 ( -0.046 1.285 0.637) 1.435 28.868 ( -2.219 -2.125 -2.084) 3.712 29.111 ( 3.279 -0.868 -1.985) 3.930 29.248 ( -0.935 -3.262 3.110) 4.603 29.428 ( -0.622 0.297 3.770) 3.833 29.883 ( 5.748 -8.845 -7.586) 12.993 31.302 ( -2.392 1.623 0.109) 2.893 31.630 ( 2.448 2.362 -0.359) 3.421 31.784 ( -1.933 0.343 1.298) 2.354 32.221 ( -4.290 7.746 16.593) 18.808 32.343 ( -1.210 2.018 1.852) 2.994 32.964 ( -2.867 4.863 -8.605) 10.292 ======================= Grid point 88 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -4.344 -4.759 -6.860) 9.411 2.102 ( -13.405 1.971 -14.884) 20.128 2.493 ( 8.071 20.736 -8.405) 23.786 2.743 ( 3.887 -0.249 8.022) 8.918 2.817 ( 5.871 10.282 12.436) 17.171 2.912 ( 1.589 -8.873 8.662) 12.502 3.278 ( -2.535 0.722 1.223) 2.906 3.326 ( 0.892 -0.417 -1.368) 1.685 3.533 ( 2.271 -0.745 -1.127) 2.643 3.641 ( 7.745 -6.065 -1.267) 9.918 3.763 ( 3.244 -3.419 -1.813) 5.049 3.986 ( -5.541 1.449 -1.939) 6.046 4.053 ( 3.745 -6.254 -10.344) 12.655 4.122 ( -5.250 0.638 -7.182) 8.920 4.320 ( 1.026 -0.117 0.727) 1.263 4.528 ( -0.961 16.100 3.707) 16.549 4.670 ( 4.045 -4.110 5.679) 8.094 4.884 ( -5.481 -1.690 -6.242) 8.477 5.113 ( -0.225 1.039 -1.546) 1.876 5.283 ( -9.017 -3.528 1.747) 9.839 5.315 ( 4.926 -5.870 -1.692) 7.847 5.450 ( -5.650 0.695 2.482) 6.210 5.523 ( -2.549 4.628 -1.543) 5.504 5.688 ( 1.589 -2.083 -6.581) 7.083 5.748 ( 1.109 2.387 1.644) 3.103 5.964 ( -11.538 -2.454 3.887) 12.420 6.119 ( -2.799 7.557 5.089) 9.531 6.228 ( -9.411 -0.403 2.309) 9.698 6.298 ( 4.228 -5.167 1.565) 6.858 6.449 ( 1.311 -7.271 1.039) 7.461 6.629 ( 4.011 1.917 -2.535) 5.118 6.702 ( 7.442 -7.098 3.815) 10.969 6.905 ( 12.537 7.314 4.941) 15.332 7.087 ( 0.892 -4.507 1.164) 4.739 7.408 ( -0.135 -3.857 0.627) 3.910 7.600 ( -2.586 3.346 -3.674) 5.602 7.816 ( -1.801 -6.387 -7.372) 9.919 8.222 ( 7.149 -0.791 1.654) 7.380 8.265 ( 2.198 -4.540 -6.704) 8.389 8.520 ( 1.687 1.222 6.582) 6.904 8.700 ( 2.541 0.426 -1.180) 2.834 9.177 ( -5.228 -1.303 9.105) 10.580 9.634 ( -0.859 -2.555 -0.643) 2.771 9.736 ( 1.835 3.539 -5.556) 6.838 9.870 ( 0.422 2.877 11.012) 11.390 10.078 ( -0.170 1.303 -3.453) 3.695 10.249 ( -3.268 -1.752 11.979) 12.540 10.674 ( 0.896 0.280 9.309) 9.356 10.872 ( -3.602 0.712 -5.203) 6.368 10.949 ( -6.194 2.695 -7.300) 9.945 11.027 ( 1.453 3.686 -4.347) 5.881 11.324 ( 2.182 7.110 -11.491) 13.688 12.099 ( -2.933 2.049 1.666) 3.946 12.301 ( -3.343 6.099 -3.077) 7.605 12.652 ( 1.130 -2.063 0.269) 2.368 12.733 ( 4.266 -5.904 -0.811) 7.329 12.987 ( -2.633 2.083 -0.805) 3.453 13.143 ( 4.820 -5.231 -1.094) 7.197 14.186 ( 2.564 0.285 -2.735) 3.760 14.293 ( -0.969 -0.763 2.692) 2.962 14.522 ( 2.259 -0.938 0.970) 2.631 14.578 ( -0.166 -3.779 0.949) 3.900 15.192 ( 0.968 -1.428 0.096) 1.728 15.318 ( 2.425 -1.708 -6.098) 6.781 16.076 ( -5.656 1.473 10.849) 12.323 16.601 ( 0.686 2.312 -2.585) 3.535 17.026 ( -1.280 2.647 0.245) 2.950 17.060 ( -0.914 1.439 -0.052) 1.706 20.631 ( -0.060 -0.600 0.889) 1.074 20.938 ( -0.291 2.979 -0.598) 3.052 20.974 ( -1.547 -0.729 -1.429) 2.228 21.101 ( 3.230 -4.377 -0.078) 5.440 26.775 ( 3.249 -0.772 4.247) 5.403 26.996 ( -2.605 -2.162 4.653) 5.754 27.247 ( -3.158 0.048 -9.392) 9.909 27.333 ( 0.043 0.071 -0.017) 0.085 27.342 ( -0.144 -0.065 -0.070) 0.173 27.664 ( 6.861 -3.613 -3.303) 8.428 28.735 ( 0.875 1.236 0.278) 1.539 28.871 ( -2.524 -1.950 -2.173) 3.859 29.105 ( -0.489 2.393 -1.815) 3.043 29.254 ( -2.071 2.255 3.375) 4.557 29.401 ( -2.356 2.357 2.695) 4.286 30.058 ( 6.191 -8.623 -8.627) 13.678 31.270 ( -1.599 0.987 7.342) 7.578 31.594 ( 0.457 3.760 1.376) 4.030 31.763 ( 0.169 1.853 1.535) 2.412 32.112 ( -4.668 5.783 11.254) 13.486 32.174 ( -6.800 9.420 -7.445) 13.799 33.087 ( 9.141 -14.145 -2.896) 17.089 ======================= Grid point 89 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -13.555 13.825 0.769) 19.377 2.076 ( -0.293 6.021 -12.077) 13.498 2.154 ( -0.095 10.896 -4.545) 11.806 2.496 ( -1.717 24.456 9.925) 26.449 2.798 ( -7.185 2.492 3.316) 8.297 3.039 ( 1.075 13.145 -14.991) 19.967 3.135 ( 2.495 -12.589 -8.490) 15.388 3.365 ( -5.371 5.706 4.896) 9.240 3.609 ( -1.271 7.065 2.347) 7.552 3.749 ( -6.314 -1.827 1.318) 6.704 3.842 ( 2.583 -8.896 9.025) 12.933 3.930 ( 15.667 -3.097 -2.010) 16.096 4.081 ( 2.398 -4.290 1.672) 5.191 4.181 ( -3.208 -7.225 -1.653) 8.076 4.327 ( 5.307 11.684 -0.452) 12.841 4.431 ( 2.459 -7.895 4.078) 9.219 4.825 ( -3.704 -0.833 -4.190) 5.654 4.869 ( 4.976 -8.638 2.186) 10.206 5.071 ( -3.640 -3.062 -3.064) 5.658 5.228 ( -13.758 -4.467 -0.691) 14.481 5.388 ( -5.887 0.294 -1.840) 6.175 5.443 ( -3.006 -4.390 -6.911) 8.722 5.465 ( 8.069 1.739 -1.176) 8.338 5.615 ( -3.855 8.762 9.655) 13.596 5.839 ( 4.157 -3.732 4.431) 7.131 5.875 ( -3.876 -1.263 -1.040) 4.207 5.990 ( -0.995 2.663 0.764) 2.944 6.204 ( -6.186 -4.580 4.614) 8.974 6.296 ( 0.734 7.736 -5.078) 9.283 6.566 ( -0.304 2.728 -7.988) 8.446 6.805 ( 2.219 -23.148 2.365) 23.374 6.890 ( 8.928 0.731 1.397) 9.066 6.951 ( 5.928 -3.357 -1.035) 6.891 7.257 ( 12.828 -9.496 7.363) 17.577 7.395 ( -10.144 4.140 -0.627) 10.974 7.544 ( 6.868 -0.366 -0.563) 6.901 7.973 ( 3.620 -13.340 -5.516) 14.883 8.313 ( 5.106 -3.775 0.365) 6.360 8.443 ( 9.628 -11.110 -3.193) 15.044 8.598 ( 4.700 -3.666 6.127) 8.548 8.725 ( 2.963 -0.972 -1.621) 3.514 9.158 ( -5.318 1.020 6.343) 8.341 9.602 ( -2.186 3.761 -6.807) 8.079 9.674 ( 0.130 2.824 1.222) 3.079 9.835 ( -0.002 6.210 9.752) 11.561 10.011 ( -1.654 4.621 -1.335) 5.086 10.279 ( -4.467 -0.670 13.947) 14.661 10.674 ( -3.093 5.300 8.549) 10.523 10.726 ( -9.433 4.281 -7.847) 12.996 10.827 ( -3.345 3.224 -5.482) 7.186 10.920 ( -0.572 7.724 -3.367) 8.445 11.095 ( -1.652 14.755 -11.731) 18.922 12.009 ( -4.677 4.531 1.906) 6.786 12.147 ( -4.058 6.302 -1.700) 7.686 12.661 ( -2.290 4.888 0.621) 5.434 12.906 ( 5.214 -8.637 -1.430) 10.190 12.980 ( 1.524 -5.039 0.410) 5.280 13.274 ( 5.463 -5.314 -5.323) 9.296 14.201 ( 4.991 -0.002 -4.128) 6.477 14.341 ( -0.780 -4.140 0.914) 4.311 14.596 ( 2.944 -4.053 3.235) 5.964 14.659 ( 0.590 -4.588 1.249) 4.792 15.254 ( 2.434 -4.246 0.574) 4.927 15.365 ( 3.273 -3.480 -6.621) 8.165 16.039 ( -5.140 1.384 10.565) 11.830 16.522 ( -1.252 5.984 -1.743) 6.357 16.937 ( -2.836 5.088 0.461) 5.843 17.000 ( -2.119 3.871 -0.416) 4.433 20.664 ( 1.313 -1.973 0.845) 2.516 20.884 ( -1.285 2.641 0.396) 2.964 20.930 ( -3.070 2.157 -1.151) 3.925 21.226 ( 4.070 -6.349 -3.238) 8.207 26.866 ( 5.823 -3.041 3.594) 7.488 27.022 ( -4.580 -2.986 4.691) 7.204 27.187 ( -2.962 -0.083 -7.187) 7.774 27.333 ( 0.046 -0.039 -0.066) 0.089 27.341 ( -0.068 0.083 0.111) 0.155 27.765 ( 5.717 -3.524 -7.411) 10.001 28.730 ( 1.917 1.211 -0.052) 2.268 28.868 ( -2.475 -1.514 -2.168) 3.621 29.027 ( -2.624 3.969 -0.684) 4.807 29.169 ( -3.832 5.892 3.592) 7.894 29.329 ( -2.883 4.649 1.261) 5.614 30.162 ( 2.942 -3.553 -23.364) 23.815 31.338 ( 2.233 -3.283 26.842) 27.134 31.536 ( -0.835 3.528 1.803) 4.049 31.735 ( 1.425 3.325 1.404) 3.880 31.928 ( -4.695 7.236 -8.698) 12.250 32.061 ( -4.006 2.233 11.442) 12.327 33.452 ( 11.367 -18.308 -2.579) 21.704 ======================= Grid point 90 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -12.776 24.315 15.175) 31.381 1.546 ( -16.056 33.995 -5.377) 37.979 2.167 ( 2.734 8.356 3.199) 9.356 2.247 ( -1.864 0.133 -7.811) 8.031 2.485 ( -8.040 22.002 19.817) 30.683 2.959 ( -5.413 12.137 -1.217) 13.345 3.013 ( -2.419 6.404 8.396) 10.833 3.312 ( 2.389 -7.673 -19.802) 21.371 3.610 ( 8.135 -2.932 -5.061) 10.020 3.723 ( -5.061 -1.963 -1.464) 5.622 4.022 ( 6.154 -2.269 6.154) 8.994 4.071 ( -5.821 5.310 2.788) 8.358 4.168 ( -1.120 -5.624 1.011) 5.823 4.214 ( 5.216 -3.530 -2.326) 6.714 4.315 ( 9.198 -3.803 -5.384) 11.316 4.650 ( 0.883 -14.981 1.787) 15.113 4.773 ( -4.513 -1.091 -4.145) 6.224 5.019 ( 3.617 -4.362 -0.108) 5.668 5.136 ( -9.246 3.687 -0.928) 9.997 5.224 ( -10.021 -16.229 -4.907) 19.695 5.290 ( -0.765 0.210 -1.239) 1.471 5.426 ( -1.831 1.473 3.098) 3.889 5.510 ( 0.527 -2.333 1.079) 2.624 5.581 ( 5.934 -1.254 4.777) 7.720 5.765 ( -3.916 7.171 2.041) 8.422 5.949 ( 4.027 -1.992 0.881) 4.578 6.096 ( 3.714 -6.833 -4.735) 9.105 6.143 ( 3.062 6.930 -8.478) 11.370 6.286 ( -2.563 -8.429 4.020) 9.684 6.443 ( -4.536 4.319 -6.236) 8.839 6.804 ( -0.803 10.488 -6.703) 12.473 7.036 ( 3.626 -5.925 -6.932) 9.813 7.150 ( -5.119 5.404 -4.798) 8.856 7.173 ( 1.656 -0.026 1.439) 2.194 7.700 ( 21.005 -16.222 18.214) 32.189 7.775 ( 5.825 -22.744 11.964) 26.350 8.236 ( 5.968 -14.044 -1.585) 15.341 8.460 ( 5.903 -7.564 1.846) 9.771 8.726 ( 11.942 -7.588 0.761) 14.169 8.749 ( 8.486 -3.721 1.767) 9.433 8.785 ( 0.719 -9.017 -1.879) 9.239 9.099 ( -5.180 1.591 2.837) 6.116 9.477 ( -0.933 5.419 -7.294) 9.134 9.630 ( -1.270 3.120 2.410) 4.142 9.751 ( 0.075 7.713 8.581) 11.539 9.895 ( -3.864 5.476 -1.576) 6.885 10.288 ( -4.251 0.961 14.213) 14.867 10.410 ( -17.638 9.386 -6.543) 21.024 10.619 ( -3.737 7.056 1.141) 8.065 10.660 ( 0.057 12.302 -8.473) 14.937 10.768 ( -1.868 8.107 -2.594) 8.715 10.844 ( -2.174 7.012 0.805) 7.385 11.902 ( -4.637 3.642 1.951) 6.210 12.018 ( -3.211 4.595 -1.027) 5.699 12.427 ( -8.316 15.861 0.741) 17.924 13.090 ( 4.400 -9.079 -1.246) 10.165 13.144 ( 4.381 -7.863 0.206) 9.003 13.334 ( 2.631 0.055 -15.289) 15.514 14.242 ( 6.012 -0.445 -6.429) 8.813 14.421 ( 0.385 -5.879 0.957) 5.969 14.716 ( 1.920 -5.071 4.467) 7.025 14.725 ( -0.189 -2.824 1.049) 3.019 15.374 ( 3.136 -6.348 0.852) 7.131 15.441 ( 3.870 -4.295 -5.571) 8.028 16.025 ( -2.711 -0.056 10.445) 10.791 16.380 ( -2.986 8.032 -0.422) 8.579 16.840 ( -1.986 3.543 0.444) 4.086 16.906 ( -2.400 4.264 -0.904) 4.976 20.711 ( 1.819 -1.193 0.659) 2.273 20.832 ( -1.731 2.137 0.544) 2.803 20.857 ( -3.489 2.218 -0.634) 4.182 21.317 ( 1.675 -2.859 -10.958) 11.448 26.994 ( 5.163 -3.916 2.529) 6.956 27.039 ( -6.100 -3.632 2.815) 7.637 27.147 ( -2.151 -1.176 -4.687) 5.289 27.334 ( -0.002 -0.045 -0.034) 0.056 27.339 ( -0.020 0.121 0.102) 0.160 27.815 ( 3.920 -1.070 -14.452) 15.012 28.727 ( 2.889 1.931 -0.324) 3.490 28.858 ( -2.203 -0.973 -1.960) 3.106 28.945 ( -2.787 2.506 0.560) 3.789 29.038 ( -4.377 6.140 2.683) 8.004 29.200 ( -3.743 7.503 0.362) 8.393 29.974 ( -6.431 11.487 -43.253) 45.212 31.482 ( -1.280 2.213 1.358) 2.895 31.603 ( 3.538 -3.165 15.598) 16.305 31.729 ( 3.762 -3.083 17.187) 17.862 31.800 ( -0.386 2.714 -1.323) 3.044 32.122 ( 4.153 -7.766 33.119) 34.270 33.838 ( 10.033 -16.741 -2.256) 19.647 ======================= Grid point 91 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -10.300 20.951 23.912) 33.419 1.040 ( -10.795 18.239 33.671) 39.786 1.830 ( -17.779 35.440 50.908) 64.526 2.086 ( 0.483 2.916 0.461) 2.991 2.464 ( -7.475 0.232 -0.819) 7.523 2.615 ( 5.635 11.578 7.291) 14.797 3.115 ( 14.279 2.155 -5.496) 15.451 3.335 ( -2.669 -3.958 -9.613) 10.733 3.634 ( -5.266 0.033 -15.300) 16.181 3.729 ( 6.749 -0.661 -20.638) 21.724 3.854 ( -7.774 7.015 -1.461) 10.572 4.012 ( -11.693 -0.097 -9.720) 15.206 4.283 ( 12.285 -3.756 16.269) 20.729 4.386 ( 9.608 -2.235 4.216) 10.728 4.486 ( 5.568 -7.639 0.877) 9.494 4.715 ( -9.717 -1.308 -8.752) 13.143 4.857 ( -12.024 -0.181 -3.551) 12.539 4.947 ( -3.502 -4.147 -1.630) 5.668 5.061 ( -6.018 -7.443 -7.744) 12.312 5.265 ( -2.646 -4.225 0.914) 5.068 5.375 ( 0.061 2.555 -0.503) 2.604 5.417 ( -5.234 -9.713 -4.897) 12.071 5.522 ( -6.151 7.201 -3.821) 10.213 5.649 ( 1.682 3.005 1.819) 3.895 5.715 ( 7.334 -5.031 -5.441) 10.426 5.969 ( 5.719 3.881 -8.113) 10.658 6.062 ( 0.565 -2.713 -8.914) 9.335 6.198 ( 2.736 0.300 0.143) 2.756 6.360 ( -1.992 -0.717 -0.497) 2.174 6.434 ( -1.761 -8.016 4.965) 9.592 6.552 ( 0.260 12.531 -1.792) 12.662 6.892 ( -5.873 7.976 1.711) 10.052 7.101 ( 6.328 11.449 -8.184) 15.430 7.156 ( 3.032 -2.387 -5.459) 6.685 8.284 ( 18.107 -16.629 14.687) 28.637 8.372 ( 3.491 -30.626 25.645) 40.097 8.503 ( 7.608 -9.353 8.566) 14.790 8.696 ( 10.233 -7.152 10.398) 16.248 8.812 ( 2.652 -2.178 -2.025) 3.985 8.924 ( 8.830 -6.074 6.710) 12.645 9.075 ( -2.974 -13.338 -1.397) 13.736 9.134 ( 17.167 -19.725 3.600) 26.396 9.369 ( -0.622 4.185 -5.157) 6.670 9.546 ( 0.354 7.435 -2.520) 7.858 9.690 ( 2.170 3.786 9.040) 10.038 9.767 ( -6.308 2.278 -1.389) 6.849 10.037 ( -20.278 8.463 -8.311) 23.492 10.263 ( -0.207 4.995 9.314) 10.571 10.418 ( -2.610 6.880 0.598) 7.383 10.515 ( 3.372 9.130 1.647) 9.871 10.638 ( -2.497 3.504 -2.298) 4.878 10.757 ( -3.994 2.885 3.252) 5.904 11.824 ( -5.230 0.784 1.509) 5.499 11.936 ( -1.931 2.018 -0.326) 2.812 12.076 ( -7.381 15.199 -0.008) 16.897 12.990 ( -15.427 28.969 -40.281) 51.959 13.259 ( 3.429 -5.464 0.566) 6.476 13.299 ( 1.913 -3.779 -0.887) 4.327 14.271 ( 4.402 0.112 -6.772) 8.078 14.537 ( 2.123 -5.788 1.417) 6.325 14.719 ( -3.410 1.316 -0.583) 3.701 14.839 ( 1.814 -4.831 4.041) 6.555 15.497 ( 1.756 -4.632 0.824) 5.022 15.535 ( 3.767 -4.348 -1.751) 6.013 16.095 ( 2.449 -5.166 9.352) 10.961 16.224 ( -3.516 6.484 0.866) 7.427 16.794 ( -0.644 0.962 0.303) 1.197 16.825 ( -1.385 2.491 -0.977) 3.013 20.737 ( 1.729 0.036 0.182) 1.738 20.789 ( -1.374 1.480 0.131) 2.024 20.798 ( -3.067 0.838 -0.092) 3.181 21.161 ( -8.964 14.480 -23.419) 28.956 27.022 ( -15.099 -6.261 -0.114) 16.346 27.076 ( 3.153 0.134 -2.093) 3.787 27.180 ( 2.751 -3.316 -0.017) 4.308 27.334 ( 0.018 0.013 0.019) 0.029 27.338 ( -0.053 0.070 0.015) 0.089 27.695 ( -1.595 12.368 -22.857) 26.038 28.724 ( 3.639 1.743 -0.195) 4.039 28.840 ( -1.105 0.650 -1.742) 2.163 28.897 ( -2.538 0.982 0.829) 2.845 28.929 ( -5.048 2.091 1.269) 5.609 29.041 ( -2.722 7.044 0.156) 7.553 29.360 ( -14.845 28.659 -30.325) 44.287 31.450 ( -0.849 0.822 0.608) 1.329 31.581 ( -0.895 1.972 -2.027) 2.966 31.760 ( 2.337 1.668 -0.594) 2.932 31.851 ( -1.731 -0.838 3.060) 3.614 33.051 ( 38.403 -54.210 72.957) 98.672 34.136 ( 5.848 -10.377 -1.053) 11.958 ======================= Grid point 93 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 10.701 0.000 35.682) 37.252 1.393 ( 9.609 0.000 31.609) 33.037 2.120 ( 0.193 0.000 3.499) 3.504 2.146 ( 2.177 0.000 9.222) 9.475 2.611 ( 34.861 0.000 60.201) 69.566 2.868 ( -12.616 -0.000 -28.151) 30.848 3.036 ( 18.018 0.000 3.840) 18.422 3.257 ( -5.613 -0.000 6.135) 8.315 3.447 ( -5.795 -0.000 -18.293) 19.189 3.562 ( 3.738 0.000 -0.190) 3.743 3.810 ( -1.407 -0.000 -24.636) 24.676 3.855 ( 14.456 0.000 15.078) 20.889 4.241 ( -8.136 -0.000 -13.303) 15.594 4.574 ( -9.040 -0.000 4.098) 9.925 4.582 ( -1.670 -0.000 9.677) 9.820 4.735 ( -2.940 -0.000 2.885) 4.119 4.796 ( 16.776 0.000 -14.843) 22.399 4.950 ( 0.706 0.000 -10.455) 10.479 5.046 ( -3.298 -0.000 3.677) 4.939 5.156 ( -0.970 -0.000 5.238) 5.327 5.163 ( -2.888 -0.000 -15.429) 15.696 5.235 ( -6.021 -0.000 -12.372) 13.759 5.423 ( 0.697 0.000 -4.094) 4.152 5.512 ( 6.800 0.000 -16.535) 17.878 5.752 ( 2.027 0.000 5.049) 5.441 5.923 ( -2.996 -0.000 9.926) 10.368 5.977 ( -2.221 -0.000 -6.305) 6.685 6.064 ( -14.506 -0.000 -2.160) 14.666 6.329 ( 5.705 0.000 -2.733) 6.326 6.580 ( 10.190 0.000 -5.941) 11.796 6.893 ( 12.480 0.000 10.854) 16.540 6.960 ( 3.191 0.000 -3.071) 4.428 7.069 ( -2.716 -0.000 -4.481) 5.239 7.157 ( 6.755 0.000 -3.719) 7.711 8.480 ( -7.118 -0.000 8.559) 11.133 8.496 ( -30.140 -0.000 11.834) 32.380 8.614 ( -11.397 -0.000 9.454) 14.807 8.662 ( -30.448 -0.000 14.054) 33.535 8.738 ( -12.968 -0.000 1.837) 13.097 8.801 ( -8.381 -0.000 -3.933) 9.258 9.196 ( -4.126 -0.000 -4.566) 6.154 9.234 ( -6.345 -0.000 -4.226) 7.624 9.414 ( -27.953 -0.000 5.580) 28.504 9.475 ( 2.889 0.000 -14.489) 14.774 9.549 ( 6.337 0.000 3.469) 7.224 9.745 ( -3.074 -0.000 3.631) 4.757 10.091 ( 13.828 0.000 6.667) 15.351 10.437 ( 6.541 0.000 9.197) 11.286 10.470 ( 7.771 0.000 3.766) 8.636 10.599 ( 8.550 0.000 1.621) 8.702 10.664 ( 7.389 0.000 -3.370) 8.122 10.682 ( 6.489 0.000 -3.068) 7.177 11.904 ( 3.200 0.000 0.448) 3.231 11.928 ( 3.961 0.000 -1.294) 4.167 12.163 ( 19.962 0.000 4.040) 20.367 12.474 ( 41.443 0.000 -26.890) 49.403 13.273 ( -6.149 -0.000 0.219) 6.153 13.277 ( -6.119 -0.000 0.654) 6.154 14.285 ( 0.388 0.000 0.802) 0.891 14.398 ( -5.679 -0.000 -12.220) 13.475 14.768 ( -0.503 -0.000 9.492) 9.506 14.880 ( -3.638 -0.000 -1.193) 3.828 15.465 ( -6.764 -0.000 -0.076) 6.765 15.562 ( -3.933 -0.000 -0.481) 3.962 16.174 ( 4.581 0.000 -0.350) 4.595 16.184 ( -2.932 -0.000 6.155) 6.818 16.791 ( 0.817 0.000 0.157) 0.832 16.811 ( 1.412 0.000 -0.393) 1.465 20.762 ( 1.419 0.000 0.484) 1.500 20.771 ( 1.238 0.000 -0.798) 1.473 20.801 ( 2.783 0.000 0.401) 2.812 20.971 ( 14.239 0.000 -11.100) 18.054 26.974 ( 6.783 0.000 -6.674) 9.516 27.015 ( -4.344 -0.000 -1.591) 4.626 27.307 ( -4.173 -0.000 -4.071) 5.830 27.333 ( 0.201 0.000 0.062) 0.210 27.335 ( 0.041 0.000 -0.121) 0.128 27.378 ( 6.052 0.000 3.890) 7.194 28.728 ( -2.171 -0.000 0.912) 2.355 28.740 ( -0.704 -0.000 -1.250) 1.434 28.940 ( 3.058 0.000 0.006) 3.058 28.978 ( 2.020 0.000 0.195) 2.029 29.093 ( 18.892 0.000 -8.196) 20.593 29.128 ( 9.355 0.000 1.746) 9.517 31.451 ( 0.813 0.000 1.321) 1.551 31.527 ( 0.168 0.000 -2.300) 2.306 31.794 ( -1.217 -0.000 -3.074) 3.306 31.870 ( 5.317 0.000 2.766) 5.994 33.723 ( -44.467 -0.000 28.448) 52.788 34.090 ( -14.857 -0.000 -3.141) 15.185 ======================= Grid point 94 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 25.365 -14.235 16.953) 33.666 1.708 ( 8.240 -13.805 20.010) 25.669 2.020 ( 2.848 7.990 6.369) 10.607 2.358 ( 3.665 -8.675 13.608) 16.549 2.640 ( -10.655 -0.468 -29.004) 30.903 3.056 ( -8.927 5.234 -10.392) 14.666 3.141 ( 18.082 -0.436 23.290) 29.489 3.378 ( -11.026 -3.730 -0.299) 11.644 3.458 ( 24.499 -14.375 22.151) 36.021 3.586 ( 15.147 10.143 -3.144) 18.498 3.625 ( -7.257 -4.657 -16.357) 18.490 4.016 ( -2.019 3.601 10.632) 11.406 4.217 ( 12.532 -3.261 -4.884) 13.840 4.367 ( -8.951 7.843 -1.367) 11.979 4.487 ( -7.251 9.967 6.641) 14.001 4.717 ( -4.550 -2.215 -4.449) 6.738 4.857 ( 10.804 2.180 -13.241) 17.228 4.973 ( -8.689 4.712 9.464) 13.684 5.007 ( 0.169 -0.506 -2.990) 3.037 5.083 ( -3.777 0.014 -7.539) 8.432 5.146 ( -5.148 -4.605 1.503) 7.068 5.217 ( 6.581 -2.843 -12.326) 14.260 5.414 ( -0.296 -0.659 -3.109) 3.192 5.531 ( 9.339 -1.848 -8.665) 12.873 5.800 ( -7.955 -1.770 -1.789) 8.344 5.928 ( -8.808 -5.114 2.101) 10.399 5.965 ( 2.369 -3.280 -1.874) 4.459 6.074 ( 6.247 -4.875 -1.195) 8.014 6.287 ( 2.662 5.227 -4.127) 7.172 6.675 ( 0.471 -4.007 -5.107) 6.508 6.945 ( 6.452 5.625 5.308) 10.072 6.969 ( 0.225 1.483 -2.214) 2.674 7.130 ( 12.493 -4.356 -3.868) 13.784 7.158 ( -0.432 4.260 -2.202) 4.814 8.037 ( -34.273 17.103 15.361) 41.269 8.227 ( -28.827 18.979 14.247) 37.338 8.422 ( -14.733 6.751 1.833) 16.309 8.492 ( -11.509 0.525 5.032) 12.572 8.561 ( -10.327 6.524 0.871) 12.246 8.728 ( -8.094 -1.659 -4.738) 9.524 8.970 ( -14.615 6.228 0.969) 15.916 9.142 ( -2.258 5.087 -3.150) 6.395 9.293 ( 5.126 -1.514 0.128) 5.346 9.535 ( 3.491 -4.975 -11.600) 13.096 9.670 ( 6.446 -3.945 4.922) 9.019 9.820 ( 2.024 -5.752 2.003) 6.418 10.181 ( 9.778 4.935 3.942) 11.640 10.467 ( 4.707 0.680 6.016) 7.669 10.605 ( 7.945 -2.454 2.146) 8.588 10.700 ( 3.680 -3.621 -6.376) 8.204 10.809 ( 6.320 -7.510 4.830) 10.939 10.869 ( 17.238 -10.158 -1.325) 20.052 11.888 ( 5.965 0.580 0.300) 6.001 12.043 ( 4.514 -3.494 -0.134) 5.710 12.467 ( 17.850 -9.558 6.375) 21.227 12.807 ( 15.510 -10.792 -21.757) 28.817 13.158 ( -8.980 4.512 0.138) 10.051 13.186 ( -7.387 3.568 0.265) 8.207 14.268 ( -2.169 1.861 -6.186) 6.814 14.348 ( -2.357 -3.689 -2.635) 5.109 14.746 ( -3.542 4.646 7.794) 9.741 14.796 ( -4.331 3.953 -1.505) 6.054 15.363 ( -7.274 3.470 -0.417) 8.070 15.490 ( -3.743 3.227 -1.633) 5.205 16.156 ( -1.891 1.902 6.783) 7.294 16.294 ( 6.291 -6.311 0.027) 8.911 16.819 ( 2.808 -1.632 0.325) 3.264 16.849 ( 3.287 -2.468 -0.913) 4.211 20.774 ( 2.326 1.394 0.374) 2.737 20.786 ( 1.778 -0.615 0.765) 2.031 20.857 ( 2.204 -3.097 0.363) 3.818 21.064 ( 5.333 -2.768 -11.001) 12.535 26.948 ( -3.452 2.823 -0.356) 4.474 26.973 ( 2.499 2.081 -3.518) 4.790 27.289 ( -4.312 -3.426 -6.650) 8.634 27.332 ( 0.222 0.240 -0.004) 0.327 27.334 ( -0.024 -0.057 0.024) 0.067 27.451 ( 5.613 -0.165 0.476) 5.636 28.739 ( -2.153 -2.767 1.215) 3.710 28.780 ( 1.969 -4.065 -2.042) 4.957 28.940 ( 2.490 0.136 0.432) 2.531 29.050 ( 5.564 -1.007 0.024) 5.654 29.199 ( 8.975 -3.537 -0.530) 9.662 29.356 ( 12.308 -9.566 -7.864) 17.460 31.430 ( -0.061 2.986 0.593) 3.045 31.565 ( 2.295 -3.380 -1.065) 4.222 31.774 ( -1.015 -0.456 -3.994) 4.146 31.958 ( 6.145 -2.832 2.997) 7.400 33.254 ( -32.250 20.388 35.151) 51.878 33.819 ( -19.402 10.198 -7.276) 23.095 ======================= Grid point 95 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.970 1.752 1.991) 2.824 2.031 ( 6.598 -10.078 1.313) 12.117 2.137 ( 26.361 -15.042 5.610) 30.865 2.486 ( -7.902 -1.357 -5.382) 9.656 2.558 ( -0.511 -10.269 -4.579) 11.255 2.887 ( -4.642 -1.762 -1.878) 5.308 3.270 ( 4.005 7.907 3.707) 9.607 3.356 ( 4.336 0.023 8.165) 9.245 3.459 ( -1.210 -7.674 -17.276) 18.942 3.577 ( 11.398 8.767 -4.833) 15.170 3.900 ( -6.596 4.493 11.448) 13.955 4.110 ( 0.436 -3.149 2.852) 4.271 4.182 ( 3.308 1.600 10.765) 11.375 4.260 ( -2.385 5.238 -5.142) 7.718 4.375 ( 9.720 2.860 7.172) 12.414 4.695 ( -6.550 -3.995 0.540) 7.691 4.769 ( 3.648 7.247 -1.814) 8.313 4.941 ( -2.720 -1.274 8.635) 9.143 4.991 ( -4.276 -0.819 -4.311) 6.127 5.054 ( 3.424 -2.863 -2.981) 5.367 5.150 ( -4.458 1.121 2.244) 5.115 5.279 ( 2.623 -4.441 -3.718) 6.358 5.510 ( 4.882 -5.599 0.666) 7.459 5.575 ( 4.017 0.046 -12.645) 13.268 5.781 ( 1.806 -2.477 -2.223) 3.787 5.964 ( 2.781 -1.021 0.993) 3.125 6.025 ( -4.897 -5.312 -10.387) 12.653 6.170 ( -6.064 -7.115 -2.083) 9.578 6.271 ( 3.777 -1.350 2.440) 4.695 6.685 ( -0.218 -0.373 -5.412) 5.429 6.845 ( 2.565 15.162 7.305) 17.024 6.950 ( -6.081 12.072 -0.418) 13.524 6.981 ( -2.796 -1.370 0.005) 3.114 7.288 ( 2.926 -3.722 -9.043) 10.208 7.568 ( -16.861 15.367 10.345) 25.050 7.745 ( -9.647 15.531 9.255) 20.493 8.134 ( -13.455 8.839 -4.902) 16.829 8.297 ( -9.600 7.004 -0.740) 11.906 8.447 ( -8.500 2.990 5.652) 10.636 8.685 ( -4.644 -1.674 -1.771) 5.244 8.802 ( -7.396 3.872 2.174) 8.627 9.052 ( -6.808 0.531 0.260) 6.834 9.389 ( 4.901 -3.632 2.292) 6.517 9.624 ( 6.282 -5.088 -9.769) 12.680 9.805 ( 5.043 -2.632 7.794) 9.649 9.937 ( 1.455 -5.863 -1.213) 6.162 10.199 ( 7.308 3.352 4.728) 9.327 10.548 ( 3.195 -2.015 7.423) 8.329 10.722 ( 5.450 -3.700 -2.771) 7.146 10.803 ( 3.003 -7.853 -6.279) 10.494 10.964 ( 3.654 -4.189 2.538) 6.111 11.214 ( 19.565 -9.195 -4.305) 22.042 11.979 ( 6.467 -3.442 0.864) 7.377 12.152 ( 6.370 -4.272 -0.473) 7.684 12.731 ( 5.637 -3.099 5.174) 8.255 12.905 ( -0.146 0.928 -8.294) 8.347 13.020 ( -7.357 -0.449 -2.297) 7.721 13.038 ( -7.087 4.273 -1.656) 8.439 14.190 ( -1.264 1.639 -7.037) 7.335 14.393 ( -2.541 -3.849 1.349) 4.805 14.614 ( -5.955 7.611 4.527) 10.672 14.688 ( -3.050 4.794 -0.006) 5.682 15.244 ( -4.521 3.229 -0.375) 5.569 15.396 ( -1.805 3.480 -3.428) 5.207 16.136 ( -3.116 1.215 8.450) 9.088 16.460 ( 6.186 -6.178 -1.214) 8.827 16.901 ( 4.655 -3.610 0.562) 5.918 16.941 ( 4.263 -4.272 -0.907) 6.103 20.757 ( 1.615 3.576 0.830) 4.010 20.823 ( 1.738 -1.588 1.053) 2.579 20.935 ( 1.260 -3.942 0.081) 4.139 21.074 ( 0.395 0.078 -6.946) 6.958 26.867 ( -2.119 3.903 2.909) 5.309 26.955 ( 0.427 0.796 -0.689) 1.136 27.266 ( -4.538 -2.500 -9.869) 11.146 27.332 ( 0.091 -0.071 -0.165) 0.201 27.336 ( -0.003 -0.091 0.055) 0.106 27.503 ( 5.551 -0.125 0.216) 5.557 28.763 ( -1.546 -1.540 1.409) 2.597 28.850 ( 4.868 -0.723 -3.057) 5.794 29.012 ( 1.365 -6.170 1.376) 6.467 29.117 ( 7.218 -0.107 -0.505) 7.237 29.343 ( 2.909 -5.451 2.919) 6.834 29.567 ( 6.766 -9.050 -9.162) 14.547 31.376 ( -0.974 3.059 0.789) 3.306 31.645 ( 4.599 -2.099 -0.611) 5.092 31.760 ( -1.214 -1.004 -3.687) 4.010 32.097 ( 6.127 -5.693 1.936) 8.585 32.802 ( -20.290 19.228 32.230) 42.663 33.386 ( -18.835 14.620 -12.156) 26.763 ======================= Grid point 96 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.549 0.581 1.183) 1.427 2.195 ( -7.455 5.461 -11.383) 14.662 2.300 ( 11.252 -13.501 -1.562) 17.644 2.622 ( 7.486 -8.385 -5.695) 12.601 2.790 ( 0.293 -16.047 12.317) 20.231 2.980 ( 4.029 -1.069 5.764) 7.114 3.241 ( 12.493 2.447 1.718) 12.846 3.433 ( 1.266 -0.175 -0.597) 1.411 3.451 ( -5.568 -5.681 -9.833) 12.648 3.650 ( 14.303 -1.705 1.796) 14.516 3.736 ( -4.060 9.844 0.094) 10.649 3.955 ( -0.430 12.612 -6.760) 14.316 4.066 ( -8.498 0.540 4.544) 9.652 4.179 ( 0.791 5.739 -7.721) 9.653 4.450 ( -1.292 4.955 7.955) 9.460 4.678 ( -3.467 3.722 -0.516) 5.113 4.736 ( -3.200 -2.110 0.939) 3.947 4.945 ( -1.650 2.895 0.032) 3.333 5.059 ( -3.966 -5.859 -0.299) 7.082 5.139 ( 5.460 -3.396 -4.223) 7.693 5.184 ( 6.721 -7.745 12.990) 16.550 5.365 ( 3.781 -2.724 -0.569) 4.694 5.581 ( 0.888 -3.077 -6.108) 6.897 5.620 ( 4.769 -1.721 0.226) 5.075 5.793 ( -1.967 4.997 -3.500) 6.410 5.918 ( -7.422 0.780 -11.919) 14.063 6.041 ( -2.086 -6.287 5.559) 8.647 6.294 ( -0.833 -6.107 3.806) 7.244 6.313 ( 2.667 -3.550 -5.928) 7.407 6.546 ( -9.779 12.124 3.298) 15.922 6.647 ( 0.366 4.818 -0.560) 4.864 6.759 ( 5.167 11.874 7.140) 14.787 6.981 ( -5.665 -0.124 -0.141) 5.668 7.222 ( -13.352 -5.382 -2.272) 14.574 7.273 ( 2.144 13.898 5.885) 15.244 7.697 ( 10.125 1.860 -0.373) 10.301 7.863 ( -11.771 7.045 -4.097) 14.317 8.165 ( -2.273 0.861 -4.518) 5.131 8.322 ( -5.840 4.285 2.855) 7.786 8.659 ( -6.346 0.119 -0.271) 6.353 8.699 ( 1.116 4.588 1.767) 5.041 9.012 ( -12.957 -5.901 5.893) 15.409 9.509 ( 4.114 -4.386 2.202) 6.404 9.726 ( 5.466 -3.594 -6.979) 9.566 9.906 ( 4.364 -0.405 9.570) 10.525 10.024 ( 2.118 -3.900 -3.692) 5.773 10.251 ( 5.860 1.245 8.165) 10.127 10.637 ( 2.259 -1.972 8.175) 8.708 10.790 ( -0.568 -4.066 -6.533) 7.716 10.927 ( 2.575 -4.580 -5.294) 7.459 11.036 ( 2.039 -1.810 -0.921) 2.878 11.449 ( 16.094 -0.878 -8.312) 18.135 12.099 ( 6.646 -2.309 0.946) 7.100 12.301 ( 7.390 -5.574 -1.313) 9.349 12.683 ( -3.873 5.269 0.480) 6.557 12.791 ( -4.854 7.114 -0.554) 8.630 12.976 ( -5.509 -3.477 0.144) 6.517 12.989 ( -6.515 -3.020 -3.066) 7.808 14.158 ( 1.637 -0.289 -3.919) 4.258 14.419 ( -3.161 0.019 -0.380) 3.184 14.461 ( -4.894 3.630 5.223) 8.025 14.586 ( -3.029 3.631 -0.645) 4.772 15.184 ( -1.188 0.914 -0.156) 1.507 15.328 ( 0.206 2.042 -4.676) 5.106 16.115 ( -4.655 1.066 9.800) 10.902 16.585 ( 4.766 -3.245 -2.270) 6.197 17.006 ( 4.276 -3.029 0.385) 5.255 17.040 ( 3.297 -3.008 -0.335) 4.475 20.701 ( 0.859 4.368 0.747) 4.514 20.877 ( 1.246 -2.778 0.792) 3.146 20.993 ( 0.344 -1.960 -2.308) 3.048 21.044 ( -0.497 0.636 -1.205) 1.450 26.817 ( 0.498 2.902 5.505) 6.243 26.950 ( -1.489 -0.594 1.297) 2.062 27.218 ( -4.078 -1.521 -10.544) 11.407 27.334 ( -0.163 -0.268 -0.125) 0.337 27.337 ( 0.164 0.075 0.045) 0.186 27.568 ( 5.060 -1.797 -0.803) 5.430 28.773 ( -0.018 0.004 1.867) 1.867 28.874 ( 5.207 1.795 -3.702) 6.636 29.140 ( 4.955 -3.411 0.789) 6.067 29.178 ( 1.683 -2.515 -0.136) 3.029 29.427 ( -1.083 -1.595 4.848) 5.217 29.730 ( 2.794 -10.132 -8.066) 13.249 31.326 ( -1.200 2.497 3.233) 4.258 31.682 ( 1.962 1.239 -2.966) 3.765 31.775 ( 2.492 -1.253 -0.005) 2.789 32.241 ( 2.238 -4.417 -1.103) 5.073 32.482 ( -12.775 13.856 23.975) 30.496 32.976 ( -11.509 8.980 -12.533) 19.240 ======================= Grid point 97 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -6.840 3.374 -11.149) 13.508 2.071 ( 0.549 -0.147 -0.519) 0.770 2.686 ( 2.992 -5.752 -1.932) 6.765 2.742 ( 10.031 -11.471 6.418) 16.534 2.917 ( 4.162 9.887 1.079) 10.781 3.091 ( -4.745 -13.198 12.634) 18.877 3.219 ( 7.120 12.913 7.233) 16.424 3.419 ( -4.311 4.125 -6.855) 9.088 3.509 ( 0.009 -2.269 -9.714) 9.975 3.604 ( -0.605 -0.971 -5.545) 5.662 3.714 ( 10.569 4.258 -8.789) 14.390 3.910 ( 5.049 -5.917 6.759) 10.305 4.015 ( -3.302 -2.129 -1.086) 4.076 4.109 ( 2.920 4.763 -5.940) 8.154 4.366 ( 1.044 2.496 2.271) 3.532 4.581 ( -10.903 0.881 -0.428) 10.947 4.689 ( -3.403 -0.119 -5.307) 6.305 4.878 ( 3.039 4.492 1.016) 5.518 5.067 ( -7.067 -1.128 0.607) 7.182 5.234 ( 4.348 -2.624 -3.724) 6.298 5.329 ( 4.315 5.142 2.407) 7.131 5.418 ( -4.125 -1.395 2.247) 4.901 5.564 ( -6.909 4.268 -2.638) 8.539 5.626 ( -0.847 -4.739 0.317) 4.825 5.753 ( 1.304 -8.963 1.001) 9.113 5.851 ( 3.552 3.568 -0.842) 5.104 6.112 ( -5.476 -1.723 6.272) 8.503 6.219 ( -5.191 6.516 3.007) 8.857 6.348 ( -1.068 5.429 1.324) 5.690 6.497 ( 7.654 -0.818 -0.804) 7.739 6.579 ( -2.786 -0.598 -1.657) 3.296 6.692 ( 1.728 -0.743 2.411) 3.058 6.965 ( -6.560 -5.752 2.343) 9.034 7.161 ( 5.116 4.688 5.237) 8.694 7.280 ( -1.227 -5.761 -0.182) 5.893 7.693 ( -5.636 -1.218 -3.316) 6.651 7.733 ( 10.221 6.234 -4.595) 12.823 8.177 ( 1.781 -4.176 -4.487) 6.383 8.262 ( -0.369 -0.269 -0.222) 0.507 8.576 ( -2.607 2.441 1.407) 3.839 8.690 ( 0.320 -0.441 0.821) 0.985 9.028 ( -15.092 -8.299 8.965) 19.417 9.605 ( 3.200 -2.130 0.285) 3.855 9.769 ( 2.203 0.416 -4.694) 5.202 9.963 ( 4.220 2.136 5.952) 7.603 10.077 ( 0.976 -1.082 1.369) 2.000 10.309 ( 4.107 1.928 9.981) 10.963 10.699 ( -1.537 -1.445 4.265) 4.758 10.801 ( -1.621 -1.292 -3.607) 4.160 10.918 ( -2.377 2.358 -5.787) 6.686 11.073 ( 2.963 0.282 -2.866) 4.132 11.483 ( 11.008 7.677 -10.691) 17.158 12.153 ( 4.438 3.201 1.032) 5.569 12.372 ( 1.623 4.526 -2.275) 5.319 12.624 ( -0.734 -1.446 -0.145) 1.628 12.689 ( 0.145 -1.371 -0.346) 1.422 12.935 ( -8.234 -1.788 -0.862) 8.470 13.033 ( -4.002 -7.861 -0.452) 8.833 14.193 ( 3.580 -1.444 -1.880) 4.294 14.322 ( -1.832 4.108 2.137) 4.979 14.483 ( -3.765 -5.277 1.888) 6.752 14.525 ( -1.532 0.242 -1.015) 1.853 15.181 ( 0.457 -0.750 -0.093) 0.884 15.301 ( 1.545 -0.031 -5.520) 5.733 16.085 ( -5.558 1.323 10.910) 12.315 16.634 ( 3.007 0.575 -2.750) 4.116 17.059 ( 1.620 0.844 0.290) 1.850 17.080 ( 1.370 0.614 -0.128) 1.507 20.660 ( 2.056 2.252 1.023) 3.216 20.926 ( -1.658 -2.212 -0.398) 2.793 20.974 ( 0.111 2.036 -1.982) 2.843 21.064 ( 0.878 -2.724 0.154) 2.866 26.826 ( 3.112 0.763 6.673) 7.402 26.953 ( -3.159 -1.578 2.320) 4.225 27.166 ( -3.469 -1.007 -9.226) 9.908 27.335 ( 0.005 0.047 0.011) 0.049 27.338 ( -0.030 -0.152 0.002) 0.154 27.645 ( 3.986 -3.199 -3.877) 6.415 28.780 ( 1.985 1.068 1.828) 2.902 28.873 ( 4.521 2.128 -3.449) 6.072 29.154 ( 2.372 3.791 -1.652) 4.768 29.258 ( 0.432 -2.642 3.055) 4.062 29.411 ( -4.367 1.661 4.225) 6.299 29.897 ( 1.777 -11.144 -9.217) 14.571 31.309 ( -0.541 0.926 9.930) 9.988 31.641 ( -1.301 2.249 -2.970) 3.946 31.821 ( 5.847 1.508 1.852) 6.316 32.182 ( -6.601 6.222 -7.237) 11.604 32.259 ( -9.036 9.952 14.256) 19.594 32.920 ( 2.770 -10.757 -5.573) 12.428 ======================= Grid point 98 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -5.081 -0.696 -4.628) 6.909 2.096 ( 4.357 1.659 0.890) 4.746 2.576 ( 8.581 25.412 -12.974) 29.795 2.737 ( -6.602 -0.788 2.708) 7.179 2.913 ( -4.069 14.897 1.249) 15.493 2.974 ( -5.228 4.953 -2.483) 7.618 3.256 ( 6.245 7.624 -0.463) 9.866 3.360 ( 3.290 -3.267 1.943) 5.027 3.529 ( -14.462 -5.867 -14.341) 21.195 3.610 ( 6.211 -14.419 5.423) 16.610 3.830 ( 3.073 4.044 1.566) 5.315 3.958 ( 8.001 -0.562 -3.171) 8.624 4.060 ( 1.736 -5.033 0.001) 5.324 4.116 ( 4.789 -1.453 -3.090) 5.882 4.421 ( 7.428 0.020 -0.131) 7.429 4.474 ( -8.107 -0.009 0.376) 8.116 4.700 ( -9.242 -8.225 4.314) 13.103 4.840 ( 5.189 5.438 0.139) 7.517 5.001 ( -4.962 1.440 4.214) 6.667 5.157 ( -2.684 3.110 4.885) 6.383 5.306 ( -4.308 1.948 -8.584) 9.800 5.385 ( 0.157 -2.924 -0.658) 3.001 5.542 ( 5.460 0.718 -4.475) 7.096 5.716 ( 0.188 -4.972 1.973) 5.353 5.783 ( -9.328 6.505 11.385) 16.092 5.917 ( 12.035 -1.223 3.020) 12.468 6.032 ( -7.330 1.783 3.172) 8.184 6.125 ( -4.185 2.107 6.271) 7.828 6.349 ( -0.119 -2.875 -3.200) 4.304 6.446 ( -3.123 0.019 -0.091) 3.124 6.616 ( -0.750 -6.688 -5.422) 8.642 6.806 ( 1.471 -7.095 -3.604) 8.092 7.003 ( -5.793 -3.308 2.195) 7.023 7.273 ( 12.735 -1.531 8.805) 15.558 7.343 ( 0.827 -5.886 -5.094) 7.828 7.680 ( 8.041 7.409 -5.830) 12.391 7.784 ( 2.916 -10.728 0.159) 11.118 8.277 ( 3.604 -5.384 -4.552) 7.918 8.331 ( 3.036 -7.636 0.115) 8.218 8.574 ( -1.990 -4.161 2.495) 5.244 8.722 ( 3.264 -1.462 0.439) 3.603 9.043 ( -15.138 -6.636 8.817) 18.734 9.623 ( 1.359 2.566 -3.944) 4.897 9.734 ( 0.248 2.995 -0.427) 3.035 9.955 ( 3.570 4.782 0.494) 5.988 10.074 ( -2.769 2.907 7.855) 8.822 10.330 ( 1.163 3.178 9.111) 9.719 10.649 ( -7.823 1.497 -7.762) 11.121 10.768 ( -2.339 5.543 5.199) 7.952 10.835 ( 0.767 1.895 -3.062) 3.682 11.035 ( 1.547 5.925 -2.702) 6.693 11.339 ( 6.957 15.132 -10.986) 19.952 12.090 ( 0.549 7.197 1.430) 7.358 12.233 ( -1.860 8.401 -1.397) 8.717 12.681 ( 1.937 -2.768 0.622) 3.435 12.808 ( 3.937 -7.802 -0.977) 8.793 12.893 ( -6.118 -3.086 0.194) 6.855 13.152 ( -1.216 -9.812 -3.727) 10.566 14.231 ( 4.109 -0.074 -2.824) 4.986 14.294 ( -1.119 -0.866 1.981) 2.435 14.550 ( 0.085 -4.991 -0.510) 5.017 14.562 ( -2.130 -5.922 2.431) 6.746 15.213 ( 1.036 -2.605 -0.087) 2.804 15.318 ( 2.417 -2.420 -6.186) 7.069 16.053 ( -5.191 1.315 11.712) 12.878 16.602 ( 1.201 4.532 -2.560) 5.342 17.007 ( -1.099 5.242 0.600) 5.389 17.051 ( 0.109 3.644 -0.533) 3.685 20.679 ( 4.009 -0.231 1.583) 4.317 20.897 ( -4.107 1.048 -0.802) 4.314 20.934 ( -0.791 2.444 -0.739) 2.673 21.146 ( 2.075 -5.489 -2.569) 6.406 26.892 ( 3.092 -1.495 6.792) 7.611 26.960 ( -2.758 -2.193 2.004) 4.054 27.120 ( -2.656 -0.638 -7.245) 7.742 27.334 ( 0.102 0.089 -0.021) 0.137 27.340 ( -0.111 -0.117 0.049) 0.168 27.712 ( 2.576 -3.808 -8.575) 9.729 28.789 ( 3.726 1.809 1.117) 4.290 28.867 ( 3.311 1.788 -2.444) 4.487 29.081 ( -0.413 5.108 -0.780) 5.184 29.234 ( -4.020 5.277 4.685) 8.121 29.364 ( -2.316 1.370 2.023) 3.366 30.018 ( 0.439 -6.761 -17.791) 19.038 31.388 ( 1.498 -3.773 22.325) 22.691 31.573 ( -2.423 2.531 -1.449) 3.791 31.840 ( 6.352 4.541 2.072) 8.079 31.956 ( -6.416 6.677 -10.152) 13.742 32.125 ( -5.355 4.980 13.795) 15.613 33.208 ( 5.886 -19.270 -4.574) 20.662 ======================= Grid point 99 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.658 12.327 7.271) 14.556 2.019 ( -0.728 32.185 -9.823) 33.658 2.165 ( 0.790 0.973 2.143) 2.483 2.445 ( 5.445 19.699 -10.005) 22.755 2.754 ( -0.490 1.207 4.006) 4.212 3.025 ( -7.095 -6.540 3.774) 10.361 3.142 ( 4.869 13.111 -4.550) 14.707 3.362 ( 6.476 14.483 -1.247) 15.914 3.445 ( -8.267 -11.811 -14.457) 20.417 3.613 ( -8.340 6.023 7.865) 12.949 3.942 ( -2.613 -10.549 1.615) 10.987 4.066 ( -1.372 0.032 -3.507) 3.766 4.110 ( 0.743 -1.690 1.838) 2.605 4.253 ( 12.995 -9.501 -2.466) 16.285 4.423 ( 6.620 4.256 -4.689) 9.161 4.476 ( -2.000 -4.272 1.010) 4.824 4.726 ( -13.417 -4.697 2.163) 14.379 4.833 ( 3.110 -1.352 -2.066) 3.971 5.011 ( -1.007 -2.994 10.292) 10.766 5.179 ( -1.814 2.267 -10.446) 10.842 5.288 ( 5.637 -5.653 12.742) 15.036 5.387 ( -2.143 -0.520 -3.354) 4.014 5.557 ( 1.967 2.506 -3.764) 4.931 5.648 ( 0.384 3.082 9.005) 9.526 5.793 ( -3.903 -3.974 1.349) 5.731 5.875 ( -5.126 5.509 1.846) 7.748 6.091 ( 7.198 -1.142 -2.677) 7.764 6.129 ( -5.133 -5.761 5.287) 9.354 6.272 ( 1.153 4.186 -6.051) 7.448 6.452 ( -0.214 0.887 1.369) 1.645 6.849 ( 1.889 -13.084 -5.797) 14.435 6.901 ( -1.937 -3.158 -2.713) 4.592 7.006 ( -1.061 -10.789 2.985) 11.245 7.233 ( -5.206 6.490 -1.431) 8.442 7.616 ( 2.916 -3.405 -4.059) 6.047 7.673 ( 15.518 -11.953 5.138) 20.251 8.056 ( 6.650 -14.961 2.999) 16.644 8.387 ( 2.800 -6.446 -0.818) 7.076 8.539 ( 1.495 -13.506 -1.165) 13.638 8.678 ( -1.001 -9.039 -0.375) 9.102 8.811 ( 8.124 -2.448 2.004) 8.719 9.021 ( -12.913 -3.554 7.375) 15.289 9.524 ( -1.551 5.826 -5.845) 8.397 9.693 ( 0.706 3.592 2.510) 4.439 9.882 ( 2.422 6.518 -4.792) 8.445 9.989 ( -6.250 6.197 11.440) 14.434 10.262 ( -8.161 5.191 0.541) 9.687 10.499 ( 0.016 7.714 0.700) 7.746 10.663 ( -2.606 4.368 -0.221) 5.091 10.792 ( 1.121 6.322 -0.944) 6.489 10.903 ( 0.085 9.091 -0.990) 9.145 11.077 ( 4.882 17.927 -6.888) 19.815 11.972 ( -0.953 7.099 1.690) 7.360 12.090 ( -0.858 6.910 -0.807) 7.010 12.620 ( -1.902 11.249 2.218) 11.622 12.959 ( 1.905 -9.838 -0.982) 10.069 13.014 ( 1.301 -10.577 0.001) 10.657 13.258 ( -0.067 -5.471 -10.215) 11.588 14.266 ( 4.032 -0.337 -3.843) 5.580 14.334 ( 0.228 -4.713 0.224) 4.723 14.640 ( -2.598 -5.371 1.317) 6.110 14.656 ( 0.219 -6.233 2.686) 6.791 15.290 ( 0.818 -5.727 0.018) 5.785 15.377 ( 2.787 -4.401 -5.931) 7.894 16.039 ( -3.333 0.389 11.845) 12.311 16.496 ( -0.188 7.912 -1.795) 8.115 16.902 ( -1.276 5.657 0.659) 5.836 16.969 ( -0.578 5.411 -0.995) 5.532 20.738 ( 4.690 -0.599 1.709) 5.027 20.832 ( -4.522 1.413 -0.315) 4.748 20.875 ( -0.870 3.286 -0.374) 3.420 21.232 ( 0.726 -4.683 -7.852) 9.171 26.926 ( -5.507 -1.724 3.958) 6.997 27.030 ( 2.718 -4.275 2.074) 5.474 27.090 ( 1.067 0.141 -4.333) 4.465 27.334 ( 0.102 0.027 0.017) 0.107 27.340 ( -0.067 0.007 0.008) 0.068 27.745 ( 0.897 -3.042 -14.548) 14.890 28.796 ( 3.768 2.112 0.225) 4.325 28.856 ( 1.801 1.739 -1.799) 3.083 28.995 ( 0.283 4.824 0.950) 4.925 29.096 ( -6.623 6.282 3.933) 9.940 29.300 ( -0.824 5.955 1.331) 6.157 29.945 ( -2.191 5.150 -28.800) 29.338 31.495 ( -2.826 1.438 -0.625) 3.232 31.618 ( 1.615 -5.198 16.609) 17.478 31.782 ( -0.057 1.770 5.257) 5.547 31.860 ( 4.036 3.886 0.708) 5.647 32.130 ( -1.133 -5.097 24.811) 25.355 33.576 ( 4.105 -21.233 -4.704) 22.132 ======================= Grid point 100 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.809 30.674 8.964) 32.080 1.403 ( -1.888 25.825 16.080) 30.481 2.177 ( 1.454 5.867 -8.934) 10.786 2.396 ( 4.708 -2.698 10.667) 11.968 2.573 ( 1.021 30.471 30.806) 43.342 2.920 ( 7.595 14.120 4.354) 16.614 3.080 ( -1.181 -5.758 -0.510) 5.900 3.275 ( 3.914 1.535 -1.772) 4.562 3.420 ( -14.969 -3.258 -18.140) 23.744 3.634 ( 2.831 -10.688 -14.156) 17.962 3.872 ( -5.660 0.879 -16.318) 17.294 3.996 ( -2.249 9.052 5.474) 10.814 4.262 ( 2.081 -11.654 0.385) 11.845 4.468 ( 13.691 -0.243 -0.360) 13.698 4.479 ( -2.853 -2.872 -1.949) 4.493 4.539 ( -3.982 -10.732 -4.384) 12.258 4.674 ( -4.522 -2.833 -0.139) 5.338 4.892 ( -0.097 -2.272 -0.997) 2.483 4.993 ( 2.882 5.403 -2.264) 6.529 5.165 ( -4.942 -2.595 6.402) 8.493 5.274 ( -4.459 -2.312 -0.676) 5.068 5.472 ( 2.449 2.625 2.790) 4.546 5.530 ( -1.704 1.601 -7.396) 7.757 5.691 ( -4.490 6.187 -3.229) 8.299 5.738 ( 5.951 -2.919 8.895) 11.092 5.879 ( -0.127 -9.491 -8.854) 12.981 6.047 ( 0.955 4.701 -7.482) 8.888 6.178 ( -8.408 -1.445 1.897) 8.740 6.301 ( 1.814 -8.647 4.958) 10.132 6.484 ( 11.163 7.370 3.241) 13.764 6.772 ( 4.740 6.659 -3.698) 8.971 6.939 ( -7.861 1.457 -2.432) 8.356 7.069 ( 2.464 2.319 -6.592) 7.410 7.242 ( 3.720 -1.882 -8.176) 9.178 7.858 ( -5.893 -32.511 19.456) 38.343 8.115 ( 3.288 -21.860 10.872) 24.635 8.378 ( 4.696 -14.310 6.597) 16.442 8.546 ( -0.200 -11.365 1.775) 11.504 8.725 ( -4.786 -11.028 -4.176) 12.727 8.842 ( -0.157 -14.041 -4.208) 14.659 8.962 ( 4.249 -2.657 7.068) 8.664 8.998 ( -0.423 -3.143 5.702) 6.524 9.399 ( -3.257 3.871 -4.721) 6.920 9.632 ( 0.645 5.527 -0.564) 5.593 9.759 ( -2.277 5.487 -9.828) 11.484 9.877 ( -1.987 6.281 14.267) 15.714 10.025 ( -7.423 10.813 -5.241) 14.124 10.427 ( 3.641 7.460 10.313) 13.239 10.567 ( -0.229 9.232 -0.520) 9.250 10.626 ( 3.069 7.401 -7.052) 10.674 10.780 ( 1.357 8.213 2.288) 8.633 10.852 ( 2.150 11.953 -0.725) 12.166 11.864 ( -0.941 5.614 1.928) 6.010 11.990 ( 1.092 5.015 -0.694) 5.179 12.363 ( 1.633 19.270 3.173) 19.597 13.092 ( -0.090 0.821 -14.061) 14.085 13.172 ( -0.524 -7.895 -0.832) 7.956 13.230 ( 0.148 -0.908 -9.771) 9.814 14.287 ( 2.262 -0.300 -3.075) 3.829 14.440 ( 1.850 -6.337 -3.644) 7.540 14.679 ( -4.365 -2.689 3.782) 6.371 14.769 ( -0.093 -6.156 1.906) 6.445 15.401 ( -0.934 -7.140 0.128) 7.202 15.465 ( 1.782 -5.667 -3.470) 6.879 16.073 ( -1.043 -2.148 10.890) 11.148 16.343 ( -0.310 9.394 -0.741) 9.428 16.822 ( -0.373 3.226 0.462) 3.280 16.874 ( -0.006 4.812 -1.242) 4.970 20.771 ( -4.236 0.146 0.363) 4.254 20.784 ( 3.565 1.470 0.458) 3.884 20.821 ( 1.066 2.853 0.248) 3.055 21.210 ( -0.660 3.548 -15.610) 16.022 26.905 ( -4.730 -0.914 1.985) 5.210 27.056 ( -3.695 -2.209 -3.173) 5.348 27.171 ( 7.537 -2.491 2.553) 8.339 27.335 ( 0.138 0.019 0.065) 0.154 27.339 ( -0.000 0.089 0.004) 0.089 27.695 ( -2.084 1.736 -20.277) 20.458 28.790 ( 1.548 1.489 -0.024) 2.148 28.834 ( 1.468 2.070 -1.953) 3.202 28.943 ( 1.428 3.563 2.352) 4.501 28.959 ( -4.474 4.923 2.461) 7.093 29.175 ( 0.889 8.962 0.897) 9.050 29.603 ( -1.274 20.135 -28.206) 34.679 31.448 ( -2.206 0.612 -0.544) 2.353 31.605 ( -0.446 2.717 -3.807) 4.699 31.834 ( -0.449 0.228 3.382) 3.419 31.842 ( 3.587 3.308 2.198) 5.351 32.659 ( 3.024 -38.278 57.123) 68.829 33.911 ( -0.502 -18.654 -3.748) 19.033 ======================= Grid point 103 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.232 0.000 6.864) 9.970 1.791 ( 29.642 0.000 18.534) 34.959 2.266 ( 3.661 0.000 4.745) 5.993 2.337 ( 11.152 0.000 20.104) 22.990 2.478 ( -5.708 -0.000 -17.808) 18.700 2.857 ( -15.676 -0.000 -33.877) 37.327 3.320 ( -7.943 -0.000 17.619) 19.327 3.327 ( -10.954 -0.000 -14.912) 18.503 3.483 ( 17.316 0.000 5.724) 18.238 3.564 ( 9.732 0.000 6.641) 11.782 3.900 ( 26.668 0.000 32.482) 42.027 4.105 ( 0.882 0.000 -11.951) 11.983 4.263 ( 9.383 0.000 9.750) 13.531 4.370 ( -11.567 -0.000 0.383) 11.574 4.520 ( -7.317 -0.000 8.695) 11.364 4.603 ( -1.797 -0.000 -6.629) 6.868 4.890 ( -2.155 -0.000 -3.598) 4.194 4.912 ( -10.137 -0.000 2.120) 10.356 5.009 ( -1.375 -0.000 -9.904) 9.999 5.025 ( -10.009 -0.000 4.367) 10.920 5.145 ( 13.772 0.000 -8.091) 15.973 5.217 ( 16.169 0.000 -7.982) 18.032 5.428 ( -1.916 -0.000 -1.340) 2.338 5.584 ( 8.406 0.000 -8.486) 11.945 5.676 ( -16.493 -0.000 -3.491) 16.859 5.705 ( -2.792 -0.000 3.973) 4.856 6.007 ( 3.607 0.000 -8.377) 9.120 6.161 ( 13.053 0.000 6.128) 14.420 6.285 ( -6.548 -0.000 -9.327) 11.396 6.652 ( 3.980 0.000 -11.023) 11.719 6.862 ( -4.942 -0.000 -4.756) 6.859 7.157 ( 8.383 0.000 0.975) 8.440 7.179 ( 9.910 0.000 6.633) 11.925 7.223 ( 1.871 0.000 1.382) 2.326 7.928 ( -33.842 -0.000 10.152) 35.332 8.015 ( -42.432 -0.000 11.514) 43.966 8.357 ( -13.544 -0.000 12.273) 18.278 8.372 ( -15.198 -0.000 -5.168) 16.053 8.528 ( -10.188 -0.000 -1.246) 10.264 8.633 ( -4.938 -0.000 -1.590) 5.188 8.825 ( -18.826 -0.000 0.439) 18.831 9.203 ( 0.597 0.000 -7.786) 7.808 9.348 ( 7.688 0.000 0.195) 7.690 9.489 ( 7.747 0.000 -9.194) 12.022 9.723 ( 7.412 0.000 6.439) 9.818 9.811 ( 3.722 0.000 1.347) 3.958 10.329 ( 7.860 0.000 3.557) 8.628 10.620 ( 6.924 0.000 6.263) 9.336 10.630 ( 6.291 0.000 0.655) 6.325 10.667 ( 3.396 0.000 -9.108) 9.720 10.851 ( 8.320 0.000 5.685) 10.077 10.901 ( 16.428 0.000 0.295) 16.431 11.983 ( 4.628 0.000 1.129) 4.764 12.026 ( 7.300 0.000 -1.326) 7.420 12.601 ( 17.708 0.000 7.540) 19.246 12.809 ( 14.404 0.000 -17.039) 22.311 13.120 ( -9.875 -0.000 -0.275) 9.879 13.121 ( -9.494 -0.000 0.314) 9.499 14.226 ( -2.747 -0.000 -12.098) 12.406 14.297 ( -1.289 -0.000 4.001) 4.203 14.763 ( -6.941 -0.000 -1.945) 7.208 14.778 ( -4.736 -0.000 7.440) 8.820 15.317 ( -7.478 -0.000 -0.482) 7.494 15.469 ( -4.602 -0.000 -1.738) 4.920 16.200 ( -1.226 -0.000 7.258) 7.361 16.291 ( 7.737 0.000 -1.551) 7.891 16.839 ( 4.254 0.000 0.631) 4.300 16.862 ( 4.517 0.000 -1.066) 4.641 20.804 ( 2.638 0.000 -0.354) 2.662 20.804 ( 0.715 0.000 2.561) 2.659 20.868 ( 4.489 0.000 0.275) 4.497 21.049 ( 3.330 0.000 -9.324) 9.901 26.912 ( -6.001 -0.000 1.260) 6.132 27.015 ( 3.793 0.000 -7.741) 8.620 27.209 ( -2.387 -0.000 -4.210) 4.839 27.335 ( 0.060 0.000 0.028) 0.066 27.335 ( 0.030 0.000 -0.057) 0.065 27.515 ( 5.053 0.000 3.747) 6.291 28.699 ( -1.403 -0.000 0.553) 1.508 28.740 ( 0.968 0.000 -1.060) 1.436 29.024 ( 6.143 0.000 0.200) 6.147 29.032 ( 3.450 0.000 0.220) 3.457 29.317 ( 8.109 0.000 1.969) 8.345 29.351 ( 14.637 0.000 -8.642) 16.998 31.494 ( 2.230 0.000 2.332) 3.227 31.522 ( 0.827 0.000 -1.584) 1.787 31.746 ( -0.325 -0.000 -6.048) 6.057 32.013 ( 7.437 0.000 3.603) 8.264 33.206 ( -34.111 -0.000 31.070) 46.140 33.660 ( -24.432 -0.000 -10.037) 26.413 ======================= Grid point 104 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 5.070 -8.074 -1.633) 9.673 2.186 ( 16.863 -4.776 14.366) 22.662 2.290 ( 16.769 -1.281 3.040) 17.091 2.327 ( 1.798 4.379 -13.282) 14.101 2.513 ( 0.727 3.482 3.904) 5.282 2.691 ( -9.893 -10.306 -12.548) 19.014 3.181 ( -7.595 -6.115 -21.345) 23.466 3.353 ( -5.620 -1.912 14.075) 15.276 3.531 ( 9.273 7.413 3.821) 12.471 3.732 ( 5.953 -5.786 5.288) 9.842 3.989 ( 1.537 8.505 -2.191) 8.916 4.168 ( -10.096 7.963 -2.267) 13.057 4.258 ( -8.665 2.470 0.481) 9.023 4.303 ( 17.725 1.379 21.629) 27.998 4.531 ( -2.928 0.455 4.110) 5.067 4.633 ( 12.615 -1.362 9.497) 15.849 4.801 ( -11.694 1.365 -4.358) 12.554 4.891 ( -2.167 -3.051 12.401) 12.953 4.988 ( 0.605 -1.856 -7.970) 8.206 5.033 ( -0.058 -2.707 7.398) 7.878 5.139 ( 10.071 4.986 -8.409) 14.036 5.305 ( 0.871 3.298 -2.243) 4.082 5.481 ( 12.089 -7.813 -2.843) 14.672 5.558 ( -7.396 -0.487 -6.135) 9.622 5.732 ( 7.165 -9.021 -2.648) 11.821 5.749 ( -1.663 -5.812 -2.228) 6.443 5.994 ( -3.468 -0.587 -10.105) 10.700 6.129 ( -1.210 5.388 -8.579) 10.203 6.298 ( 4.886 -1.212 2.011) 5.420 6.599 ( -2.099 0.818 -7.528) 7.858 6.875 ( -3.375 -5.148 -7.201) 9.473 7.070 ( -4.457 11.776 7.817) 14.820 7.215 ( 7.834 9.710 6.479) 14.058 7.257 ( -2.848 3.465 -5.873) 7.389 7.588 ( -17.720 1.375 13.470) 22.301 7.731 ( -26.729 0.808 2.623) 26.869 8.122 ( -14.256 7.659 -4.405) 16.772 8.297 ( -11.922 1.546 6.565) 13.698 8.391 ( -8.093 2.510 -0.075) 8.474 8.602 ( -3.801 -1.404 -0.573) 4.092 8.682 ( -15.326 -2.447 0.373) 15.525 9.122 ( 2.842 7.103 -6.187) 9.839 9.430 ( 7.601 -0.169 2.116) 7.892 9.578 ( 8.076 -4.197 -7.672) 11.904 9.844 ( 6.347 -2.747 8.167) 10.702 9.878 ( 3.051 -3.648 -0.601) 4.793 10.353 ( 6.295 5.132 2.974) 8.649 10.624 ( 6.341 2.683 6.132) 9.220 10.681 ( 1.409 -2.531 -10.462) 10.855 10.765 ( 7.191 -3.291 2.773) 8.381 10.951 ( 4.247 -2.589 4.433) 6.663 11.192 ( 16.670 -12.392 -3.282) 21.029 12.024 ( 7.842 -0.175 0.531) 7.862 12.143 ( 6.586 -4.177 -0.557) 7.819 12.775 ( 7.321 -1.963 5.453) 9.337 12.868 ( 2.261 -2.294 -9.432) 9.967 12.965 ( -10.165 5.396 0.046) 11.509 13.027 ( -7.500 2.919 -0.896) 8.098 14.164 ( -0.466 0.219 -10.057) 10.070 14.318 ( -2.916 -2.587 3.279) 5.094 14.654 ( -7.280 3.989 0.365) 8.309 14.726 ( -5.186 3.244 4.144) 7.388 15.239 ( -4.742 1.659 -0.198) 5.028 15.405 ( -3.076 1.831 -2.685) 4.475 16.177 ( -1.545 3.070 6.842) 7.657 16.418 ( 6.735 -5.816 -1.354) 9.001 16.907 ( 5.647 -2.045 0.877) 6.069 16.927 ( 5.367 -2.504 -1.050) 6.015 20.814 ( 2.128 0.807 -0.058) 2.276 20.830 ( -0.223 -0.522 3.046) 3.098 20.917 ( 4.455 -0.511 0.131) 4.486 21.041 ( -0.103 -0.741 -6.741) 6.783 26.865 ( -5.479 -0.259 2.825) 6.170 26.999 ( 3.141 2.428 -5.480) 6.767 27.180 ( -1.960 -0.201 -4.187) 4.628 27.332 ( -0.058 0.163 0.012) 0.173 27.337 ( 0.154 -0.062 0.039) 0.170 27.563 ( 4.320 0.934 2.674) 5.166 28.715 ( -1.158 -2.681 0.836) 3.038 28.807 ( 1.567 -6.585 -1.054) 6.850 29.015 ( 5.094 2.500 0.436) 5.691 29.163 ( 6.352 -4.643 0.130) 7.869 29.347 ( 6.288 2.124 0.121) 6.638 29.504 ( 8.022 -4.673 -5.051) 10.568 31.440 ( 0.391 4.686 1.410) 4.909 31.621 ( 3.582 -5.594 0.044) 6.643 31.722 ( -0.253 -0.357 -6.940) 6.954 32.115 ( 8.215 -1.511 3.221) 8.953 32.931 ( -26.451 9.893 28.253) 39.947 33.315 ( -23.974 7.394 -14.138) 28.798 ======================= Grid point 105 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 2.477 -4.864 0.429) 5.475 2.264 ( 10.978 4.178 10.843) 15.986 2.273 ( -0.023 5.017 -11.092) 12.174 2.436 ( -5.618 -10.333 -3.494) 12.270 2.676 ( 16.759 -8.401 3.448) 19.061 2.837 ( -0.769 -16.618 -7.597) 18.288 3.181 ( -3.278 -5.702 -8.993) 11.142 3.368 ( 1.900 3.944 -0.707) 4.435 3.555 ( 4.274 -1.863 13.879) 14.641 3.855 ( 8.993 5.206 0.084) 10.391 3.872 ( -2.841 8.949 4.798) 10.544 3.961 ( -8.427 -1.332 6.750) 10.879 4.087 ( -4.038 8.161 -7.026) 11.501 4.266 ( -2.922 4.206 -0.974) 5.213 4.589 ( 1.818 6.083 7.186) 9.589 4.645 ( -10.900 2.069 -2.613) 11.399 4.710 ( 2.124 3.570 0.027) 4.154 4.972 ( 1.149 -2.561 3.300) 4.332 5.005 ( 3.470 4.284 -4.415) 7.063 5.137 ( 9.509 -3.916 1.911) 10.460 5.159 ( 2.681 -4.138 3.377) 5.977 5.399 ( 8.439 -3.656 8.444) 12.486 5.509 ( -3.397 -3.096 -5.523) 7.185 5.637 ( -0.082 -2.550 -0.209) 2.560 5.771 ( -3.098 -1.906 -9.365) 10.047 5.849 ( 3.424 4.794 -6.664) 8.895 6.027 ( 3.397 -15.554 -3.680) 16.340 6.070 ( 3.324 -0.203 -0.570) 3.379 6.333 ( 0.714 0.250 -1.075) 1.314 6.543 ( -9.446 0.230 3.689) 10.143 6.736 ( -4.943 8.618 -4.407) 10.868 6.987 ( -9.227 7.156 1.007) 11.721 7.019 ( -6.530 -1.517 -0.783) 6.749 7.109 ( 6.557 13.606 4.550) 15.774 7.433 ( -10.246 7.306 1.866) 12.722 7.712 ( 0.457 -6.955 2.757) 7.496 7.858 ( -12.009 7.196 -0.243) 14.002 8.169 ( -1.932 3.510 -2.965) 4.984 8.305 ( -9.028 1.296 3.264) 9.687 8.569 ( -8.589 -1.451 4.061) 9.611 8.653 ( -6.630 -6.641 -2.316) 9.665 8.981 ( 0.545 9.731 -4.145) 10.591 9.516 ( 5.522 -1.909 3.169) 6.647 9.697 ( 6.732 -3.956 -5.496) 9.549 9.960 ( 4.650 -3.045 -1.667) 5.803 9.983 ( 3.847 -3.412 8.972) 10.341 10.359 ( 5.499 2.291 4.848) 7.681 10.654 ( -0.001 -0.078 -0.826) 0.830 10.719 ( 3.374 -2.709 -0.849) 4.410 10.904 ( 6.727 -3.586 1.586) 7.786 11.017 ( 0.606 -1.682 0.258) 1.806 11.503 ( 15.020 -8.157 -8.384) 19.038 12.138 ( 9.690 -2.981 0.303) 10.143 12.284 ( 7.910 -5.364 -0.268) 9.561 12.762 ( -3.765 8.711 0.171) 9.492 12.829 ( -8.335 -1.900 0.957) 8.603 12.859 ( -7.820 -2.817 -0.613) 8.335 12.881 ( -4.663 6.641 -2.558) 8.508 14.149 ( 2.700 -1.084 -6.746) 7.347 14.339 ( -4.505 -3.020 1.942) 5.760 14.516 ( -5.878 5.358 1.778) 8.150 14.619 ( -4.910 4.817 1.516) 7.044 15.187 ( -1.483 1.016 0.171) 1.806 15.343 ( -0.702 1.928 -3.705) 4.235 16.137 ( -3.317 2.350 8.286) 9.229 16.559 ( 5.215 -4.817 -2.296) 7.462 17.006 ( 5.251 -2.843 0.646) 6.005 17.023 ( 4.684 -3.310 -0.610) 5.768 20.789 ( 1.743 4.319 -0.234) 4.663 20.853 ( -1.126 -1.910 2.448) 3.303 20.968 ( 3.063 -1.346 -0.613) 3.401 21.028 ( -1.172 -0.553 -2.890) 3.167 26.844 ( -4.175 -1.093 4.521) 6.250 26.967 ( 2.620 2.940 -1.821) 4.338 27.144 ( -1.958 0.206 -5.115) 5.481 27.330 ( -0.092 -0.031 0.030) 0.102 27.340 ( 0.167 0.011 0.010) 0.168 27.594 ( 3.559 0.305 0.506) 3.607 28.757 ( -0.338 -2.532 1.443) 2.934 28.930 ( 4.354 -3.604 -1.899) 5.962 29.057 ( 3.170 -3.313 1.332) 4.775 29.276 ( 10.119 1.598 -1.261) 10.322 29.382 ( -1.292 -3.409 3.577) 5.107 29.600 ( 1.844 -4.194 -5.058) 6.824 31.381 ( -0.216 3.551 3.800) 5.205 31.678 ( 0.224 0.274 -8.147) 8.155 31.770 ( 4.541 -5.268 0.840) 7.006 32.220 ( 5.781 -1.144 0.333) 5.902 32.634 ( -18.722 11.485 23.365) 32.067 32.927 ( -16.920 7.366 -15.066) 23.823 ======================= Grid point 106 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 1.614 11.993 0.273) 12.104 2.083 ( 1.434 0.110 2.543) 2.922 2.521 ( -7.457 -9.328 1.497) 12.036 2.646 ( 18.419 -15.861 6.899) 25.267 2.883 ( -4.179 -13.781 -6.538) 15.815 3.010 ( -1.848 -1.088 1.992) 2.927 3.229 ( 2.344 -2.289 3.218) 4.592 3.309 ( -1.921 -0.267 -9.876) 10.065 3.625 ( -2.150 3.385 3.102) 5.070 3.685 ( -1.624 6.568 -8.348) 10.745 3.878 ( 8.802 6.991 -11.181) 15.854 3.904 ( 3.004 -1.380 3.803) 5.039 4.071 ( 8.772 2.064 19.208) 21.216 4.209 ( 1.992 2.733 0.819) 3.479 4.458 ( -2.497 6.302 -0.119) 6.780 4.462 ( -15.169 4.180 -4.771) 16.442 4.611 ( -2.942 2.944 -7.305) 8.407 4.982 ( -2.970 -0.593 6.810) 7.453 4.987 ( 3.713 2.691 -9.807) 10.826 5.225 ( 6.565 -3.451 -3.650) 8.266 5.348 ( 1.982 -5.067 6.375) 8.381 5.461 ( -3.125 3.714 6.826) 8.376 5.528 ( -5.953 2.530 -4.246) 7.738 5.544 ( 2.206 -3.553 -3.132) 5.225 5.787 ( 7.898 3.959 -0.451) 8.846 5.838 ( 0.309 -5.411 -4.803) 7.242 6.143 ( 6.103 -1.440 5.738) 8.500 6.270 ( -4.925 2.350 -3.393) 6.426 6.346 ( 5.371 -8.020 3.923) 10.419 6.469 ( -1.883 1.195 3.755) 4.367 6.531 ( -10.215 3.802 -5.679) 12.291 6.828 ( -3.680 4.598 1.659) 6.118 6.927 ( -1.195 11.878 4.424) 12.732 7.050 ( -2.320 -6.515 -3.224) 7.631 7.347 ( 1.520 0.025 5.785) 5.982 7.645 ( -7.592 3.372 1.295) 8.408 7.839 ( 3.589 -1.832 -1.427) 4.275 8.145 ( 2.838 -0.539 -2.927) 4.112 8.218 ( -5.246 -0.370 -0.755) 5.313 8.534 ( -6.435 -0.859 1.633) 6.694 8.710 ( -4.108 -6.906 -1.741) 8.222 8.820 ( -5.187 5.383 1.971) 7.731 9.611 ( 4.169 -2.480 1.711) 5.144 9.770 ( 3.110 -1.077 -3.883) 5.090 10.028 ( 5.451 -1.220 -7.245) 9.148 10.095 ( 1.809 -1.107 14.207) 14.364 10.403 ( 2.988 0.840 7.232) 7.870 10.629 ( -4.150 -1.059 -5.722) 7.147 10.802 ( 3.324 -1.773 5.843) 6.952 10.946 ( 0.634 3.133 -1.609) 3.579 11.070 ( 3.102 -3.088 -1.099) 4.512 11.643 ( 11.820 2.052 -11.766) 16.803 12.274 ( 11.351 0.492 0.238) 11.364 12.446 ( 8.424 -1.680 -0.382) 8.598 12.608 ( -3.595 3.442 0.035) 4.977 12.705 ( -3.718 5.884 0.177) 6.962 12.783 ( -11.570 -3.833 -0.959) 12.226 12.840 ( -9.810 -6.288 -0.122) 11.652 14.198 ( 5.157 -2.035 -3.138) 6.371 14.351 ( -4.566 -3.263 0.127) 5.613 14.398 ( -3.173 4.037 2.366) 5.654 14.511 ( -4.417 2.386 -0.202) 5.024 15.176 ( 0.064 -0.164 0.143) 0.227 15.305 ( 1.104 1.154 -4.536) 4.809 16.100 ( -4.636 1.725 10.291) 11.419 16.646 ( 3.468 -1.852 -3.141) 5.032 17.082 ( 2.846 -0.931 0.447) 3.028 17.096 ( 2.777 -1.099 -0.395) 3.013 20.735 ( 2.266 3.759 0.443) 4.411 20.878 ( -2.105 -1.779 0.931) 2.909 20.994 ( 1.077 0.798 -1.901) 2.326 21.029 ( -0.073 -1.881 -0.080) 1.884 26.851 ( -4.149 -2.266 4.422) 6.473 26.949 ( 3.307 2.528 2.464) 4.837 27.104 ( -1.415 -0.022 -6.058) 6.221 27.332 ( -0.096 -0.209 0.054) 0.236 27.340 ( 0.116 0.114 -0.047) 0.169 27.624 ( 2.346 -1.007 -2.795) 3.786 28.798 ( 0.601 -1.443 2.286) 2.769 28.969 ( 6.780 2.935 -3.148) 8.031 29.175 ( 0.468 -5.618 1.356) 5.798 29.285 ( 5.717 4.174 1.055) 7.157 29.420 ( -1.911 1.547 5.008) 5.579 29.686 ( -1.273 -10.280 -7.443) 12.755 31.359 ( -0.099 1.423 8.804) 8.919 31.631 ( -1.335 1.046 -7.859) 8.040 31.894 ( 6.050 -2.655 1.078) 6.694 32.187 ( -3.446 6.000 -8.081) 10.639 32.384 ( -12.780 9.863 17.425) 23.754 32.764 ( -2.072 -5.451 -7.747) 9.696 ======================= Grid point 107 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 6.866 9.030 6.872) 13.264 2.153 ( 4.141 -1.176 3.083) 5.295 2.591 ( -5.483 -7.010 -0.058) 8.900 2.807 ( -7.888 -0.794 -11.437) 13.916 2.914 ( -6.293 3.996 5.334) 9.166 3.176 ( 4.853 3.146 -0.528) 5.807 3.215 ( -6.889 0.650 -15.218) 16.717 3.339 ( 6.798 -10.487 13.612) 18.479 3.413 ( 2.244 10.181 -19.668) 22.260 3.571 ( -0.739 5.172 -2.532) 5.806 3.845 ( 2.707 -4.502 0.263) 5.260 4.014 ( 2.936 -2.188 -2.465) 4.414 4.102 ( 5.336 3.656 -13.244) 14.739 4.224 ( 13.657 9.278 13.953) 21.616 4.307 ( -12.588 -6.272 5.016) 14.932 4.491 ( 7.052 -1.356 4.696) 8.580 4.532 ( -8.571 -3.454 0.487) 9.254 4.910 ( -3.216 1.579 -7.087) 7.941 5.010 ( 1.898 -0.628 5.074) 5.453 5.282 ( 0.073 7.669 5.036) 9.175 5.293 ( -2.680 3.707 -4.019) 6.089 5.373 ( 1.849 0.530 -1.621) 2.515 5.563 ( 3.045 -2.391 -1.166) 4.044 5.608 ( -1.934 -3.655 3.832) 5.638 5.865 ( 4.558 -2.245 12.265) 13.275 5.926 ( 4.089 -2.908 -3.329) 6.022 6.067 ( -9.117 6.977 4.735) 12.419 6.207 ( 4.181 2.893 2.938) 5.872 6.349 ( 0.904 4.642 0.197) 4.734 6.447 ( -2.208 -5.313 -10.832) 12.266 6.492 ( -5.760 5.204 -2.830) 8.262 6.712 ( -0.376 -0.779 1.277) 1.543 6.867 ( -7.447 -3.548 3.990) 9.164 7.196 ( 2.772 -10.600 -6.017) 12.500 7.406 ( 4.618 0.601 7.153) 8.535 7.636 ( -0.019 -5.689 3.667) 6.769 7.857 ( 4.586 2.675 -1.981) 5.667 8.191 ( 1.736 -4.925 -4.017) 6.588 8.253 ( 1.553 -5.087 -1.142) 5.440 8.483 ( -3.529 -0.372 -4.434) 5.680 8.754 ( -8.317 -2.651 8.882) 12.454 8.779 ( -3.686 -6.342 0.195) 7.338 9.666 ( 3.035 0.694 -2.536) 4.015 9.767 ( -0.252 1.373 0.336) 1.436 10.039 ( 4.091 1.864 -10.168) 11.118 10.135 ( -2.060 3.064 15.085) 15.530 10.409 ( -1.560 2.801 3.860) 5.018 10.583 ( -3.611 -0.483 -2.402) 4.364 10.854 ( 0.401 4.171 4.906) 6.452 10.875 ( 1.908 1.371 -1.190) 2.634 11.111 ( 2.662 1.731 -0.876) 3.294 11.586 ( 7.918 10.550 -12.010) 17.839 12.262 ( 4.520 10.283 1.115) 11.288 12.373 ( 0.344 10.052 -0.793) 10.090 12.631 ( 2.517 -5.192 0.142) 5.772 12.727 ( 2.963 -5.583 -0.402) 6.333 12.759 ( -8.895 -4.873 0.596) 10.160 12.922 ( -4.869 -12.926 -2.351) 14.011 14.253 ( 2.998 -0.457 -1.141) 3.240 14.306 ( -1.542 2.846 0.895) 3.359 14.420 ( -1.826 -6.792 0.026) 7.034 14.484 ( -2.095 -3.112 -0.342) 3.767 15.189 ( 0.325 -1.184 -0.159) 1.238 15.295 ( 2.111 -0.365 -5.299) 5.715 16.071 ( -4.728 1.303 12.076) 13.034 16.660 ( 1.816 1.751 -3.413) 4.244 17.077 ( 0.087 3.312 0.457) 3.344 17.105 ( 1.158 2.099 -0.431) 2.435 20.727 ( 2.997 0.900 1.422) 3.437 20.868 ( -2.762 0.204 -0.126) 2.772 20.969 ( 0.191 2.067 -0.805) 2.226 21.074 ( 0.404 -3.522 -1.892) 4.018 26.857 ( -5.881 -2.668 2.067) 6.781 26.970 ( 3.078 1.166 6.206) 7.024 27.084 ( 2.074 -0.548 -5.781) 6.166 27.335 ( -0.048 -0.226 0.057) 0.238 27.338 ( 0.044 0.133 -0.075) 0.159 27.647 ( 0.923 -2.030 -7.276) 7.610 28.828 ( 0.396 -0.422 2.212) 2.287 28.961 ( 6.754 4.136 -3.379) 8.611 29.171 ( 0.028 4.786 1.463) 5.005 29.322 ( 0.989 6.128 4.138) 7.460 29.338 ( -3.933 -1.759 3.160) 5.343 29.827 ( 0.248 -9.996 -11.823) 15.484 31.413 ( 0.474 -2.599 15.425) 15.650 31.567 ( -2.399 1.293 -5.013) 5.706 31.934 ( -4.450 2.045 -7.705) 9.130 32.015 ( 6.124 7.166 -0.259) 9.430 32.211 ( -7.525 6.542 13.566) 16.836 32.934 ( 2.376 -15.634 -5.890) 16.875 ======================= Grid point 108 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 13.061 5.108 11.096) 17.883 2.172 ( 0.610 3.335 3.543) 4.904 2.505 ( -5.134 22.735 -11.902) 26.170 2.656 ( -0.352 -0.678 -7.925) 7.961 2.855 ( -0.175 8.777 -1.428) 8.895 2.888 ( -2.102 1.707 -1.979) 3.354 3.060 ( -9.181 -0.297 -15.126) 17.697 3.345 ( 2.499 7.355 -15.876) 17.674 3.415 ( 2.952 -2.898 -2.057) 4.620 3.708 ( -2.939 -13.606 2.786) 14.196 3.958 ( 3.970 -0.341 -9.892) 10.664 4.020 ( 0.617 9.478 5.363) 10.908 4.122 ( 2.487 -4.822 6.362) 8.361 4.217 ( -0.270 -0.037 4.038) 4.047 4.326 ( 3.817 -0.360 -1.628) 4.165 4.501 ( -12.360 -3.440 17.234) 21.485 4.632 ( 12.129 1.370 -2.593) 12.478 4.865 ( -3.482 -2.011 1.073) 4.161 4.995 ( -3.100 1.064 -0.838) 3.383 5.221 ( 4.249 4.397 -2.797) 6.724 5.302 ( 8.996 -5.390 5.516) 11.849 5.376 ( -1.753 2.575 6.931) 7.599 5.575 ( 0.044 0.591 -6.293) 6.321 5.639 ( -4.660 -2.861 3.996) 6.773 5.794 ( -4.542 6.266 6.656) 10.208 5.982 ( 0.836 0.803 4.830) 4.967 6.021 ( -6.376 4.855 1.324) 8.123 6.189 ( 5.235 3.897 4.469) 7.910 6.289 ( 1.126 2.187 -7.572) 7.961 6.453 ( 5.888 -7.036 8.139) 12.264 6.583 ( 1.916 -15.200 -4.758) 16.042 6.762 ( -1.459 -5.392 -6.272) 8.399 6.888 ( -5.622 -6.087 -0.111) 8.287 7.217 ( -7.262 1.972 -7.441) 10.582 7.532 ( 2.670 -7.593 2.053) 8.306 7.723 ( 2.434 1.337 -3.419) 4.405 7.936 ( 6.938 -8.792 8.083) 13.812 8.297 ( 0.547 -6.331 -3.556) 7.282 8.362 ( -0.125 -7.862 -1.087) 7.937 8.495 ( -1.126 -7.065 -6.064) 9.379 8.785 ( -13.403 -8.937 9.160) 18.531 8.869 ( 6.229 -3.207 3.379) 7.779 9.604 ( 0.029 6.237 -4.953) 7.965 9.755 ( 0.299 1.594 3.873) 4.199 9.958 ( -1.356 5.067 -11.236) 12.400 10.075 ( -3.904 6.143 12.912) 14.822 10.305 ( -4.514 6.104 -1.853) 7.815 10.563 ( -1.542 0.967 3.255) 3.729 10.780 ( 5.563 6.527 -0.043) 8.576 10.877 ( 0.762 2.715 2.752) 3.940 11.051 ( 1.522 7.516 -0.797) 7.710 11.377 ( 4.214 16.206 -10.154) 19.583 12.113 ( -0.157 9.561 1.495) 9.679 12.218 ( 1.279 8.967 -0.641) 9.081 12.731 ( -0.275 1.518 1.923) 2.465 12.804 ( 1.102 -9.586 0.109) 9.650 12.858 ( 0.059 -8.696 -0.170) 8.698 13.092 ( 0.289 -10.553 -6.366) 12.328 14.257 ( -2.285 -0.448 -0.600) 2.405 14.304 ( 3.850 -1.536 -0.773) 4.216 14.513 ( -3.167 -6.588 0.970) 7.374 14.559 ( 0.272 -6.103 0.276) 6.116 15.221 ( -0.161 -2.889 -0.454) 2.929 15.320 ( 2.389 -2.589 -5.728) 6.725 16.061 ( -3.508 0.593 12.865) 13.348 16.601 ( 0.773 5.309 -3.047) 6.170 16.996 ( -0.495 6.025 0.584) 6.073 17.051 ( 0.277 4.795 -0.703) 4.854 20.746 ( -2.090 -0.815 1.591) 2.750 20.845 ( 2.623 1.533 0.356) 3.059 20.926 ( 0.431 3.106 -0.174) 3.141 21.128 ( -0.761 -4.616 -5.441) 7.176 26.849 ( -5.924 -2.666 1.400) 6.645 26.983 ( -1.847 -0.328 1.739) 2.558 27.138 ( 8.530 -0.687 -0.114) 8.559 27.337 ( 0.144 0.092 -0.021) 0.172 27.338 ( -0.077 -0.166 -0.008) 0.183 27.649 ( -0.483 -2.279 -12.418) 12.635 28.827 ( -1.675 0.562 0.836) 1.955 28.942 ( 6.084 4.190 -3.068) 7.999 29.092 ( -1.763 5.205 4.241) 6.942 29.173 ( -2.608 7.900 2.615) 8.720 29.366 ( 0.177 1.387 2.729) 3.066 29.880 ( 0.926 -1.592 -18.104) 18.198 31.472 ( -2.926 0.258 -3.591) 4.639 31.596 ( -0.216 -5.108 14.670) 15.536 31.804 ( -3.156 1.885 -0.583) 3.721 32.010 ( 7.409 5.429 3.729) 9.914 32.143 ( -3.025 0.756 15.529) 15.839 33.224 ( 0.157 -20.538 -7.027) 21.707 ======================= Grid point 109 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 9.036 20.357 11.834) 25.221 1.979 ( 4.914 30.324 -3.205) 30.887 2.172 ( 0.197 -0.710 -1.849) 1.991 2.570 ( 4.030 7.944 -5.930) 10.701 2.826 ( 11.163 1.995 -5.971) 12.815 2.936 ( -7.178 -4.783 8.083) 11.821 3.012 ( -5.024 -11.956 -16.648) 21.103 3.236 ( 4.767 2.943 -6.842) 8.843 3.445 ( -9.760 2.958 0.097) 10.198 3.673 ( 3.111 8.451 -1.301) 9.099 3.883 ( 7.535 14.526 8.059) 18.241 4.038 ( 0.162 -10.245 2.182) 10.476 4.099 ( -7.995 0.455 4.778) 9.325 4.295 ( -5.741 -0.816 -10.608) 12.089 4.351 ( -1.394 -7.164 -2.517) 7.720 4.531 ( 0.050 -5.426 2.509) 5.978 4.710 ( 14.885 1.801 -2.323) 15.172 4.878 ( 0.538 -1.015 2.278) 2.551 5.054 ( -6.066 -7.181 8.784) 12.866 5.146 ( -1.785 7.076 -4.259) 8.450 5.247 ( -4.536 3.954 4.307) 7.400 5.504 ( 1.040 1.774 -1.179) 2.371 5.544 ( 0.621 0.954 0.745) 1.361 5.700 ( 0.754 -6.094 -0.243) 6.145 5.741 ( -1.604 1.964 -5.615) 6.161 5.820 ( 2.035 4.001 6.971) 8.291 6.052 ( -1.393 -4.860 4.492) 6.763 6.155 ( 2.944 5.310 -2.436) 6.542 6.264 ( 0.419 0.260 4.181) 4.210 6.683 ( 12.963 -1.679 3.769) 13.603 6.772 ( -4.316 -7.896 -6.285) 10.976 6.827 ( -1.332 2.416 -9.069) 9.479 7.045 ( 2.483 -22.820 3.984) 23.297 7.111 ( -4.391 -1.119 -3.350) 5.635 7.561 ( -6.445 -1.857 2.424) 7.132 7.792 ( -6.351 -13.427 0.835) 14.877 8.217 ( 2.288 -13.086 7.682) 15.345 8.377 ( -3.404 -7.014 0.019) 7.796 8.468 ( -7.441 -10.586 -5.759) 14.164 8.628 ( 2.380 -9.165 -3.472) 10.086 8.854 ( -8.442 -8.707 5.056) 13.140 9.021 ( 7.834 -3.771 7.186) 11.279 9.462 ( -1.141 7.919 -3.362) 8.679 9.729 ( 0.739 4.244 2.212) 4.843 9.787 ( -3.770 6.318 -9.735) 12.203 9.997 ( -0.584 4.948 10.577) 11.692 10.133 ( -3.459 8.848 -3.029) 9.971 10.529 ( -2.263 2.530 4.192) 5.394 10.752 ( 8.894 7.908 1.715) 12.024 10.807 ( 3.891 7.982 -2.127) 9.131 10.919 ( 1.726 8.600 1.330) 8.871 11.111 ( 3.822 15.624 -7.494) 17.745 11.978 ( -0.028 7.527 1.812) 7.742 12.106 ( 3.086 7.019 -0.638) 7.694 12.654 ( 2.638 9.672 3.900) 10.757 12.971 ( -0.671 -8.373 -2.183) 8.679 13.004 ( -1.388 -10.119 0.354) 10.220 13.178 ( 1.034 -2.612 -11.663) 11.996 14.255 ( -2.218 -2.364 -1.774) 3.695 14.386 ( 4.748 -2.974 -1.432) 5.783 14.580 ( -4.732 -5.495 2.583) 7.698 14.660 ( -1.140 -6.350 0.808) 6.502 15.278 ( -1.832 -5.365 -0.480) 5.690 15.378 ( 1.483 -4.512 -5.018) 6.909 16.082 ( -1.986 -0.578 12.082) 12.258 16.489 ( 1.186 7.977 -2.182) 8.354 16.899 ( 0.502 5.603 0.546) 5.651 16.964 ( 0.870 5.761 -1.037) 5.918 20.727 ( -4.176 -0.885 1.352) 4.478 20.843 ( 1.726 2.911 -0.220) 3.391 20.899 ( 4.177 2.602 1.291) 5.088 21.154 ( -1.217 -2.707 -9.803) 10.243 26.848 ( -3.939 -2.718 0.985) 4.886 26.976 ( -2.809 -1.339 0.051) 3.112 27.236 ( 8.359 -0.456 1.980) 8.603 27.337 ( 0.012 0.004 -0.173) 0.174 27.341 ( 0.525 -0.057 0.303) 0.609 27.610 ( -2.345 -0.579 -16.796) 16.969 28.795 ( -2.190 0.562 -0.063) 2.262 28.910 ( 1.936 4.191 -2.095) 5.069 28.990 ( -2.524 4.159 2.171) 5.327 29.079 ( 3.235 6.609 3.795) 8.279 29.318 ( 1.456 5.824 2.166) 6.382 29.756 ( 2.380 9.427 -20.449) 22.643 31.423 ( -2.977 0.070 -2.803) 4.089 31.623 ( -0.200 1.288 -3.756) 3.976 31.827 ( -2.180 -0.804 6.025) 6.457 31.995 ( 7.154 6.551 3.059) 10.171 32.358 ( -3.269 -20.138 38.513) 43.583 33.527 ( -4.727 -21.640 -7.449) 23.370 ======================= Grid point 113 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 6.846 0.000 2.215) 7.196 2.190 ( 0.635 0.000 -10.271) 10.291 2.359 ( -8.715 -0.000 -24.456) 25.962 2.363 ( 10.800 0.000 4.776) 11.809 2.664 ( 25.070 0.000 13.630) 28.536 2.669 ( 5.847 0.000 16.133) 17.160 2.948 ( -6.124 -0.000 -24.325) 25.084 3.329 ( -4.043 -0.000 12.778) 13.402 3.674 ( 0.042 0.000 7.043) 7.043 3.690 ( 0.807 0.000 -6.577) 6.626 4.025 ( -2.841 -0.000 -8.940) 9.380 4.161 ( -6.838 -0.000 2.565) 7.303 4.179 ( -5.673 -0.000 -4.703) 7.369 4.438 ( -9.655 -0.000 5.438) 11.081 4.598 ( -3.022 -0.000 10.335) 10.768 4.777 ( 8.981 0.000 7.015) 11.396 4.795 ( 6.259 0.000 20.981) 21.895 4.895 ( 1.571 0.000 -4.258) 4.539 4.933 ( -0.313 -0.000 13.914) 13.917 5.043 ( 9.668 0.000 15.083) 17.916 5.287 ( -8.387 -0.000 -5.145) 9.839 5.354 ( 13.125 0.000 -9.818) 16.391 5.361 ( -8.204 -0.000 -4.684) 9.446 5.512 ( 14.547 0.000 -6.438) 15.908 5.690 ( 4.342 0.000 -7.480) 8.648 5.790 ( 8.423 0.000 1.435) 8.544 5.890 ( -5.102 -0.000 -12.595) 13.590 6.127 ( 0.040 0.000 -6.049) 6.050 6.328 ( -0.053 -0.000 -2.314) 2.315 6.609 ( 2.913 0.000 -14.880) 15.162 6.749 ( -4.532 -0.000 -2.399) 5.128 7.151 ( -15.173 -0.000 3.668) 15.610 7.310 ( 4.762 0.000 3.141) 5.705 7.325 ( -9.143 -0.000 4.508) 10.194 7.445 ( -8.841 -0.000 5.325) 10.321 7.462 ( -21.076 -0.000 7.006) 22.210 8.050 ( -12.524 -0.000 -4.830) 13.423 8.208 ( -9.380 -0.000 10.137) 13.811 8.380 ( -2.822 -0.000 -5.727) 6.385 8.493 ( -16.271 -0.000 -1.363) 16.328 8.577 ( -1.234 -0.000 2.149) 2.479 9.188 ( 2.805 0.000 -6.453) 7.036 9.524 ( 9.366 0.000 1.078) 9.428 9.595 ( 8.274 0.000 -6.305) 10.402 9.871 ( 2.544 0.000 -1.453) 2.930 9.909 ( 5.983 0.000 9.122) 10.909 10.466 ( 3.962 0.000 4.356) 5.889 10.634 ( 1.945 0.000 -11.730) 11.890 10.750 ( 5.388 0.000 2.531) 5.953 10.789 ( 5.923 0.000 5.728) 8.240 11.001 ( 3.310 0.000 4.004) 5.194 11.182 ( 12.742 0.000 -3.731) 13.277 12.089 ( 5.201 0.000 1.489) 5.410 12.175 ( 9.253 0.000 -1.902) 9.446 12.794 ( -4.034 -0.000 2.112) 4.554 12.806 ( -6.827 -0.000 -2.498) 7.270 12.973 ( -1.246 -0.000 -5.313) 5.458 13.002 ( -1.211 -0.000 3.578) 3.777 14.129 ( 1.420 0.000 -10.204) 10.302 14.282 ( -3.140 -0.000 2.975) 4.326 14.618 ( -7.103 -0.000 0.403) 7.115 14.716 ( -5.941 -0.000 4.552) 7.484 15.213 ( -3.094 -0.000 0.124) 3.096 15.383 ( -2.430 -0.000 -2.593) 3.554 16.225 ( -1.875 -0.000 6.502) 6.767 16.416 ( 6.548 0.000 -2.373) 6.965 16.948 ( 5.678 0.000 1.111) 5.786 16.954 ( 5.567 0.000 -1.075) 5.670 20.806 ( -2.380 -0.000 3.133) 3.934 20.861 ( 3.186 0.000 0.322) 3.202 20.966 ( 4.655 0.000 0.735) 4.712 21.006 ( -0.968 -0.000 -5.829) 5.908 26.814 ( -5.531 -0.000 1.766) 5.806 27.020 ( 3.019 0.000 -7.792) 8.357 27.178 ( 0.402 0.000 1.516) 1.569 27.335 ( 0.005 0.000 0.008) 0.009 27.336 ( 0.037 0.000 0.037) 0.052 27.622 ( 3.228 0.000 4.212) 5.306 28.682 ( -1.042 -0.000 0.944) 1.406 28.749 ( 0.673 0.000 -0.834) 1.071 29.103 ( 3.488 0.000 0.462) 3.518 29.164 ( 7.793 0.000 0.460) 7.806 29.437 ( 2.800 0.000 2.004) 3.443 29.527 ( 9.748 0.000 -4.805) 10.868 31.534 ( 1.104 0.000 -0.583) 1.249 31.556 ( 2.001 0.000 2.244) 3.006 31.691 ( 0.418 0.000 -9.304) 9.313 32.211 ( 10.690 0.000 3.714) 11.317 32.854 ( -25.550 -0.000 24.422) 35.344 33.085 ( -24.120 -0.000 -16.565) 29.261 ======================= Grid point 114 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 4.464 -3.760 1.142) 5.947 2.230 ( 2.257 -6.708 -3.799) 8.033 2.317 ( -0.690 -2.396 -8.444) 8.804 2.418 ( -0.736 -0.736 -0.979) 1.429 2.614 ( 5.620 6.759 5.973) 10.627 2.945 ( 27.987 2.311 4.342) 28.416 2.995 ( -1.745 -10.100 -4.254) 11.097 3.362 ( -4.717 -3.719 1.319) 6.149 3.618 ( -1.319 3.284 2.836) 4.536 3.764 ( -2.675 -10.153 -6.567) 12.385 3.928 ( -7.443 2.287 -3.514) 8.542 4.005 ( -2.800 7.572 1.186) 8.160 4.160 ( -3.664 3.845 4.647) 7.057 4.305 ( -6.217 5.803 7.700) 11.472 4.554 ( -8.730 0.756 6.255) 10.766 4.722 ( 3.246 5.471 -0.360) 6.371 4.853 ( 2.655 4.553 0.846) 5.338 4.966 ( -7.326 1.975 7.466) 10.645 5.020 ( 1.218 -6.402 4.969) 8.196 5.196 ( 4.546 1.912 -8.188) 9.558 5.252 ( 10.672 1.703 10.123) 14.808 5.380 ( -0.526 -4.210 -0.567) 4.281 5.400 ( 4.092 -4.711 2.225) 6.625 5.568 ( -0.226 -0.620 -7.521) 7.550 5.747 ( 2.748 -0.648 -4.820) 5.586 5.862 ( 11.492 -5.828 -3.089) 13.250 5.939 ( 9.840 -2.152 -3.382) 10.625 6.111 ( 3.820 0.011 -5.003) 6.294 6.294 ( -4.505 -1.946 -3.778) 6.193 6.513 ( -3.445 3.964 -4.325) 6.804 6.744 ( -2.527 -1.625 -5.818) 6.548 6.914 ( -18.973 9.007 -0.635) 21.012 7.084 ( -3.526 5.882 7.632) 10.261 7.322 ( -10.323 2.013 3.490) 11.081 7.387 ( -2.594 5.768 2.266) 6.718 7.544 ( -1.851 -12.907 2.588) 13.293 7.882 ( -8.301 6.630 1.843) 10.782 8.186 ( -3.908 0.491 2.410) 4.618 8.256 ( -5.782 2.800 0.287) 6.431 8.429 ( -9.100 -4.262 -2.186) 10.283 8.578 ( 1.155 0.244 -0.094) 1.184 9.135 ( 3.211 7.047 -6.969) 10.418 9.573 ( 5.535 1.796 0.719) 5.863 9.691 ( 6.789 -3.286 -2.206) 7.858 9.911 ( 2.079 -3.380 -4.007) 5.640 10.020 ( 4.202 -2.670 11.300) 12.348 10.468 ( 3.426 4.003 3.144) 6.135 10.617 ( 0.409 -0.519 -9.545) 9.567 10.780 ( 4.605 1.723 6.859) 8.439 10.906 ( 4.951 -4.366 2.983) 7.244 11.011 ( -0.561 0.831 1.959) 2.200 11.404 ( 9.537 -13.073 -7.822) 17.973 12.171 ( 6.603 -3.423 0.518) 7.456 12.276 ( 7.685 -3.201 -1.674) 8.491 12.712 ( -9.855 0.337 0.098) 9.861 12.746 ( -8.662 -1.109 0.107) 8.733 12.892 ( 0.507 7.380 -2.295) 7.745 12.968 ( -1.315 5.509 1.990) 6.003 14.131 ( 4.433 -1.353 -8.173) 9.395 14.269 ( -3.977 -1.279 1.359) 4.393 14.535 ( -5.601 2.979 2.118) 6.688 14.649 ( -5.254 3.316 2.830) 6.827 15.189 ( -1.095 0.574 0.466) 1.321 15.349 ( -0.537 0.994 -2.944) 3.153 16.188 ( -2.683 3.553 6.531) 7.904 16.512 ( 4.490 -5.013 -2.573) 7.205 17.016 ( 4.384 -1.828 0.738) 4.807 17.019 ( 4.514 -2.186 -0.669) 5.060 20.809 ( -2.694 -1.833 2.586) 4.160 20.867 ( 2.177 2.887 0.093) 3.617 20.984 ( 0.466 -0.626 -2.609) 2.723 21.006 ( 2.208 -0.038 -0.225) 2.220 26.783 ( -4.625 -1.355 1.492) 5.045 27.017 ( 3.429 0.539 -6.720) 7.563 27.168 ( 0.506 3.267 4.347) 5.462 27.332 ( -0.039 0.214 0.055) 0.224 27.340 ( 0.063 -0.154 -0.001) 0.166 27.648 ( 2.498 1.666 3.095) 4.312 28.705 ( -0.828 -3.136 1.486) 3.567 28.821 ( 0.737 -7.680 -0.743) 7.751 29.121 ( 4.921 1.506 0.638) 5.186 29.277 ( 4.905 -4.810 0.438) 6.884 29.431 ( 1.657 3.018 1.568) 3.783 29.594 ( 5.263 0.657 -1.951) 5.651 31.463 ( 0.364 4.900 2.436) 5.485 31.647 ( 0.961 -0.836 -10.484) 10.561 31.691 ( 1.438 -6.681 -0.543) 6.855 32.311 ( 9.183 1.891 1.049) 9.434 32.664 ( -20.947 5.555 20.279) 29.680 32.790 ( -16.421 2.878 -15.469) 22.743 ======================= Grid point 115 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -0.091 -4.399 4.163) 6.057 2.181 ( -2.175 6.993 -2.883) 7.871 2.356 ( -0.197 -7.621 -2.398) 7.992 2.588 ( -0.415 -10.184 -0.526) 10.206 2.714 ( 19.532 -4.025 16.090) 25.624 3.059 ( 0.707 -0.693 -2.490) 2.680 3.174 ( 8.046 -2.994 5.696) 10.303 3.305 ( -4.299 1.834 -9.031) 10.169 3.555 ( -8.169 1.722 5.485) 9.989 3.779 ( -3.140 4.686 -7.258) 9.192 3.860 ( -0.139 -6.359 -7.696) 9.984 3.988 ( -6.826 -1.000 0.033) 6.899 4.076 ( 4.039 -1.872 1.651) 4.748 4.252 ( 0.414 3.783 9.308) 10.056 4.447 ( -5.395 6.969 3.612) 9.524 4.582 ( -6.082 9.087 -1.796) 11.081 4.729 ( 3.748 7.938 -6.828) 11.121 4.933 ( -4.608 0.158 9.066) 10.171 5.089 ( 5.093 3.474 -7.639) 9.817 5.212 ( 6.779 -3.996 -3.126) 8.468 5.334 ( 0.424 -2.339 3.290) 4.059 5.401 ( -9.046 -6.062 -8.130) 13.589 5.489 ( 3.132 -1.891 4.778) 6.018 5.566 ( 3.870 3.949 4.296) 7.002 5.774 ( 4.998 -2.120 -4.488) 7.044 5.920 ( 4.095 4.094 -6.611) 8.788 6.134 ( 1.199 -4.487 -7.523) 8.841 6.190 ( 8.123 -4.406 2.747) 9.641 6.351 ( 6.694 -5.965 9.149) 12.810 6.462 ( -3.805 -1.244 4.496) 6.020 6.531 ( -10.497 11.578 -6.129) 16.787 6.770 ( -3.837 -4.413 -2.664) 6.426 7.025 ( -1.767 6.251 2.828) 7.084 7.194 ( -0.573 14.641 -1.155) 14.698 7.275 ( -7.788 -6.746 6.451) 12.156 7.656 ( -3.246 1.636 1.007) 3.772 7.776 ( -2.423 -3.513 5.240) 6.758 8.141 ( -0.486 -0.506 -3.084) 3.163 8.212 ( -0.434 2.702 0.653) 2.813 8.417 ( -9.249 -4.846 5.748) 11.919 8.587 ( 2.116 -0.588 -7.425) 7.743 8.978 ( 2.191 11.204 -5.205) 12.547 9.613 ( 2.690 -1.577 1.456) 3.441 9.772 ( 2.906 -1.222 -0.641) 3.217 9.981 ( 1.901 -4.710 -7.575) 9.120 10.141 ( 1.547 -2.602 14.130) 14.451 10.455 ( 1.218 1.701 2.116) 2.975 10.583 ( -1.210 0.901 -4.434) 4.683 10.836 ( 3.104 -0.648 6.818) 7.519 10.978 ( -3.075 1.393 -0.476) 3.410 11.035 ( 3.690 -4.831 2.034) 6.410 11.639 ( 7.191 -8.773 -12.085) 16.575 12.326 ( 8.852 -6.414 -0.434) 10.940 12.429 ( 6.275 -8.478 -0.721) 10.572 12.628 ( -8.086 -0.739 0.608) 8.142 12.683 ( -7.712 -0.603 -0.176) 7.737 12.728 ( -1.233 11.195 0.327) 11.267 12.817 ( -2.963 10.218 0.397) 10.647 14.199 ( 7.309 -2.993 -5.366) 9.549 14.256 ( -4.706 -1.900 -0.172) 5.078 14.447 ( -2.661 3.493 2.304) 4.959 14.537 ( -4.548 5.377 1.531) 7.207 15.178 ( -0.087 0.325 0.523) 0.622 15.321 ( 1.244 1.277 -3.591) 4.009 16.131 ( -3.970 2.715 8.530) 9.792 16.613 ( 2.507 -4.141 -3.395) 5.913 17.081 ( 1.689 -2.009 0.480) 2.668 17.092 ( 2.639 -2.364 -0.499) 3.577 20.820 ( 1.441 3.939 0.240) 4.201 20.829 ( -2.198 -2.066 1.330) 3.296 21.000 ( 0.080 -0.689 -0.783) 1.046 21.017 ( 1.756 0.152 -0.484) 1.828 26.776 ( -4.151 -2.036 0.997) 4.729 27.030 ( 5.062 -0.076 -4.014) 6.461 27.117 ( -0.534 4.722 4.996) 6.895 27.329 ( -0.047 0.011 0.085) 0.098 27.341 ( 0.059 -0.014 -0.070) 0.093 27.644 ( 1.698 1.774 -0.073) 2.456 28.764 ( -0.577 -3.513 2.444) 4.318 28.966 ( 1.256 -7.855 -1.593) 8.112 29.157 ( 5.445 0.217 0.939) 5.530 29.350 ( -4.786 0.941 4.890) 6.907 29.460 ( 7.564 -5.641 -2.714) 9.819 29.574 ( 0.614 4.659 -0.020) 4.699 31.417 ( -0.047 2.483 5.650) 6.172 31.602 ( -0.347 0.781 -11.302) 11.334 31.827 ( 0.383 -7.513 -2.317) 7.872 32.260 ( -1.544 6.426 -8.417) 10.702 32.452 ( -15.172 7.016 16.038) 23.165 32.671 ( 2.170 -1.456 -4.923) 5.573 ======================= Grid point 116 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.788 1.448 4.904) 5.174 2.157 ( 2.541 -2.396 5.571) 6.575 2.469 ( 1.487 -5.506 2.040) 6.058 2.640 ( -1.952 -0.124 1.330) 2.365 2.948 ( -9.619 6.225 5.219) 12.590 3.114 ( -9.106 1.393 -15.691) 18.196 3.135 ( 13.880 -13.692 7.053) 20.733 3.370 ( 7.251 -1.400 5.181) 9.021 3.449 ( -10.449 2.105 -5.113) 11.822 3.659 ( 7.531 5.452 -12.802) 15.822 3.883 ( -2.158 5.210 1.638) 5.873 3.946 ( -3.247 -5.739 -5.181) 8.386 4.096 ( -10.116 -1.965 0.454) 10.315 4.218 ( 0.496 6.035 -6.618) 8.970 4.375 ( 5.519 -5.505 8.058) 11.212 4.532 ( 6.915 2.106 6.015) 9.404 4.606 ( 1.845 8.018 1.732) 8.408 4.885 ( -2.654 2.083 -2.581) 4.248 5.033 ( 0.039 2.828 -4.757) 5.534 5.321 ( -0.584 -0.962 -5.866) 5.973 5.350 ( 6.195 -2.839 1.900) 7.075 5.420 ( -1.546 5.217 3.032) 6.229 5.499 ( -1.385 -8.564 0.110) 8.676 5.622 ( 5.929 4.524 5.580) 9.314 5.888 ( 5.357 -8.890 -0.547) 10.394 5.911 ( 6.222 -0.066 -0.624) 6.253 6.038 ( -11.043 4.413 -2.907) 12.242 6.275 ( 2.941 1.949 -4.769) 5.932 6.317 ( -3.098 -2.389 -4.085) 5.656 6.440 ( -5.959 1.005 2.026) 6.374 6.541 ( 5.723 5.443 5.855) 9.832 6.779 ( -3.928 0.353 2.718) 4.790 6.877 ( -3.895 14.793 6.465) 16.607 7.044 ( 2.880 -6.889 -6.217) 9.717 7.382 ( -2.972 -6.745 5.320) 9.090 7.622 ( 2.264 0.293 7.105) 7.463 7.853 ( -0.214 -4.044 0.141) 4.052 8.128 ( -2.137 -0.141 -4.548) 5.027 8.219 ( 6.317 -2.329 -2.129) 7.061 8.449 ( -7.354 -4.423 9.087) 12.499 8.549 ( -2.116 1.078 -12.654) 12.874 8.856 ( 3.940 4.300 1.563) 6.038 9.672 ( 1.866 -2.031 -0.127) 2.761 9.780 ( -1.228 0.781 1.149) 1.854 10.016 ( -0.438 -1.957 -10.074) 10.272 10.212 ( -0.903 0.859 11.636) 11.703 10.430 ( -3.091 1.782 1.610) 3.915 10.554 ( -1.082 0.055 2.219) 2.470 10.885 ( -0.001 -0.549 -0.510) 0.749 10.931 ( 0.309 1.673 4.003) 4.350 11.130 ( 1.772 -2.376 1.387) 3.273 11.704 ( 4.023 1.600 -13.444) 14.124 12.485 ( -6.889 10.740 0.507) 12.770 12.532 ( 12.882 -2.878 -0.693) 13.218 12.583 ( -4.051 3.565 1.051) 5.497 12.613 ( -1.431 -0.664 0.767) 1.754 12.656 ( -3.650 -10.565 -1.334) 11.257 12.694 ( 4.056 -2.487 -0.265) 4.765 14.240 ( -3.463 -1.706 -0.855) 3.954 14.314 ( 6.314 -3.105 -3.148) 7.708 14.387 ( -0.022 3.603 1.144) 3.781 14.436 ( -2.845 0.805 1.096) 3.153 15.179 ( 0.077 -0.244 0.230) 0.344 15.304 ( 2.287 1.026 -4.400) 5.064 16.092 ( -4.534 1.395 11.016) 11.994 16.662 ( 0.927 -1.481 -3.940) 4.310 17.106 ( -0.519 0.039 0.216) 0.564 17.128 ( 0.450 -0.280 -0.271) 0.595 20.773 ( -0.318 2.738 1.045) 2.948 20.849 ( 0.116 -1.291 0.343) 1.341 20.993 ( 0.393 0.821 -0.817) 1.223 21.036 ( 0.583 -0.838 -0.765) 1.275 26.771 ( -4.357 -1.835 0.539) 4.758 27.052 ( -1.399 3.973 3.857) 5.711 27.094 ( 7.624 -1.497 -1.050) 7.841 27.331 ( -0.047 -0.174 0.058) 0.189 27.341 ( 0.049 0.105 -0.092) 0.147 27.624 ( 0.646 1.133 -4.205) 4.402 28.811 ( -1.399 -1.836 2.516) 3.414 29.045 ( 3.412 -0.409 -3.741) 5.080 29.229 ( 3.743 -0.726 2.718) 4.682 29.278 ( -6.911 0.814 5.477) 8.856 29.465 ( -2.805 6.720 0.835) 7.330 29.650 ( 7.748 -8.532 -4.502) 12.373 31.428 ( -0.263 -0.804 7.006) 7.056 31.542 ( -1.662 0.734 -6.453) 6.704 31.863 ( -5.284 -1.099 -8.009) 9.658 32.154 ( 2.688 2.862 -1.847) 4.339 32.285 ( -8.109 5.299 10.926) 14.602 32.762 ( 5.856 -5.457 -3.392) 8.694 ======================= Grid point 117 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 4.884 -0.512 8.868) 10.137 2.252 ( 8.386 1.572 7.944) 11.657 2.565 ( 0.962 -3.580 -4.491) 5.823 2.586 ( -2.422 3.139 0.196) 3.970 2.816 ( -6.446 2.422 -4.879) 8.440 2.860 ( -13.153 7.108 -9.567) 17.750 3.194 ( -4.891 7.727 0.517) 9.159 3.377 ( 5.099 -2.441 -9.004) 10.631 3.489 ( 2.459 -2.244 -1.881) 3.824 3.624 ( 10.666 11.555 -10.054) 18.665 3.758 ( -5.299 -6.717 -15.757) 17.930 4.005 ( -9.759 -7.220 4.756) 13.038 4.154 ( 4.761 1.477 -2.500) 5.576 4.166 ( 6.472 -2.121 4.134) 7.967 4.424 ( -8.128 2.165 15.400) 17.548 4.554 ( 2.194 0.973 0.654) 2.488 4.673 ( 4.815 -6.273 9.314) 12.219 4.849 ( 5.310 3.024 -3.105) 6.854 4.974 ( -3.600 -1.128 -3.997) 5.496 5.311 ( 0.336 2.537 -7.291) 7.728 5.373 ( 5.682 4.408 1.343) 7.316 5.435 ( 4.932 -2.343 8.281) 9.920 5.536 ( 0.405 2.380 -4.448) 5.061 5.619 ( -2.600 1.015 11.858) 12.182 5.835 ( -9.247 4.135 2.917) 10.541 5.975 ( 5.543 -0.506 -3.287) 6.464 6.149 ( 5.980 0.425 5.959) 8.453 6.267 ( 1.619 -5.865 1.293) 6.221 6.306 ( -4.548 3.766 -1.254) 6.037 6.354 ( 0.208 -1.390 -6.097) 6.257 6.508 ( 6.965 -1.343 0.947) 7.157 6.677 ( -4.450 1.516 0.650) 4.746 6.749 ( -6.222 -1.083 1.710) 6.543 7.136 ( -3.870 -0.560 -7.595) 8.543 7.446 ( -4.897 -4.188 5.184) 8.270 7.722 ( 4.458 -2.699 4.658) 6.990 7.911 ( 0.653 -3.637 3.262) 4.929 8.140 ( -1.489 -6.506 -7.917) 10.355 8.314 ( 3.244 -1.182 -3.865) 5.182 8.440 ( 4.891 0.371 -7.131) 8.655 8.536 ( -10.361 -8.869 7.820) 15.721 8.916 ( 7.531 -2.142 5.410) 9.517 9.669 ( 0.361 3.414 -3.770) 5.099 9.774 ( -1.804 -0.733 6.276) 6.571 9.950 ( -4.396 2.351 -10.191) 11.345 10.178 ( -1.840 4.602 4.608) 6.767 10.349 ( -4.994 4.516 3.551) 7.612 10.567 ( -1.318 -0.346 5.447) 5.615 10.877 ( 3.176 -0.015 -4.747) 5.711 10.943 ( 2.128 2.292 5.103) 5.985 11.144 ( 0.021 2.329 0.766) 2.452 11.577 ( 0.153 9.921 -12.049) 15.608 12.262 ( -4.493 9.555 1.037) 10.610 12.395 ( 1.293 10.335 -0.482) 10.426 12.644 ( -2.995 -4.400 0.808) 5.383 12.716 ( -3.155 -6.827 -0.980) 7.584 12.764 ( 10.540 -6.033 0.632) 12.161 12.913 ( 5.361 -11.063 -2.668) 12.580 14.229 ( -2.747 -0.355 -1.704) 3.252 14.312 ( -0.190 0.375 1.779) 1.828 14.416 ( 1.214 -2.759 -1.115) 3.214 14.484 ( 2.762 -4.404 0.055) 5.199 15.188 ( -0.232 -0.899 -0.250) 0.961 15.302 ( 2.586 -0.113 -5.147) 5.762 16.081 ( -4.011 0.324 12.570) 13.199 16.651 ( 0.161 1.615 -3.829) 4.159 17.071 ( -0.925 3.243 0.236) 3.381 17.109 ( -0.568 2.245 -0.267) 2.331 20.723 ( -3.839 1.389 1.403) 4.317 20.891 ( 4.122 -1.203 0.303) 4.305 20.973 ( 0.690 2.179 -0.443) 2.328 21.049 ( -0.740 -1.677 -2.692) 3.257 26.761 ( -4.327 -1.929 0.831) 4.810 26.997 ( -1.476 2.473 2.765) 3.993 27.205 ( 9.346 -2.009 0.351) 9.566 27.333 ( -0.074 -0.190 -0.103) 0.229 27.340 ( 0.175 0.048 0.012) 0.182 27.588 ( -0.462 0.541 -8.724) 8.753 28.810 ( -3.230 0.002 1.219) 3.452 29.040 ( 3.194 2.962 -3.653) 5.685 29.158 ( -5.367 5.311 4.968) 9.039 29.278 ( -0.545 3.424 2.065) 4.036 29.382 ( -0.489 0.025 2.944) 2.985 29.807 ( 7.017 -4.101 -8.523) 11.777 31.428 ( -2.489 -0.016 -7.039) 7.466 31.561 ( -1.352 -3.795 10.362) 11.117 31.785 ( -3.389 0.332 -2.057) 3.978 32.118 ( -3.642 2.554 8.545) 9.633 32.243 ( 5.470 3.146 3.556) 7.243 32.920 ( 1.620 -11.747 -6.381) 13.466 ======================= Grid point 118 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -1.336 1.777 1.513) 2.689 2.275 ( 12.076 14.158 9.314) 20.810 2.380 ( 0.982 15.906 -6.565) 17.236 2.524 ( -1.686 -1.280 -10.462) 10.674 2.747 ( 1.970 -6.481 -14.379) 15.894 2.833 ( -3.701 -3.390 3.203) 5.954 3.073 ( 3.344 4.004 8.957) 10.365 3.312 ( 2.503 7.433 -10.690) 13.259 3.475 ( 8.175 7.177 -6.360) 12.601 3.624 ( -1.135 -7.219 -5.142) 8.935 3.866 ( 2.794 -10.093 -13.447) 17.044 3.929 ( -14.654 -1.277 5.157) 15.587 4.101 ( -1.278 3.565 1.690) 4.147 4.280 ( 2.356 -2.251 -10.199) 10.707 4.405 ( -8.413 -0.954 18.003) 19.894 4.552 ( 7.442 5.907 3.031) 9.973 4.804 ( -4.735 -4.358 10.586) 12.389 4.875 ( 11.725 2.065 -1.502) 12.000 5.001 ( 2.530 -1.580 7.463) 8.037 5.163 ( -4.571 7.134 -9.976) 13.088 5.326 ( -1.837 5.221 4.000) 6.829 5.450 ( -5.940 1.059 -4.601) 7.588 5.578 ( 1.878 -3.273 0.426) 3.798 5.703 ( 9.326 -1.112 14.133) 16.969 5.745 ( -1.645 0.841 -0.421) 1.894 5.921 ( -4.391 8.031 -1.021) 9.210 6.044 ( 4.384 0.072 -0.510) 4.414 6.260 ( 2.412 3.267 0.516) 4.094 6.325 ( 2.931 2.909 3.097) 5.162 6.577 ( -3.406 -7.844 0.979) 8.608 6.615 ( -2.177 -9.636 -5.959) 11.537 6.724 ( 3.349 -15.538 4.627) 16.555 6.890 ( 9.349 -10.640 0.395) 14.169 6.949 ( -13.006 4.627 -6.283) 15.167 7.448 ( -8.705 -2.514 1.140) 9.132 7.716 ( -2.462 4.940 -2.132) 5.917 8.042 ( -3.556 -9.694 3.713) 10.973 8.231 ( -2.100 -9.651 -5.405) 11.259 8.286 ( -1.634 -0.342 -3.958) 4.296 8.542 ( 3.005 -5.821 1.809) 6.796 8.650 ( -2.097 -9.122 2.104) 9.594 9.062 ( 6.380 -2.861 8.451) 10.969 9.571 ( -0.391 6.766 -1.849) 7.025 9.787 ( -0.860 0.972 6.897) 7.018 9.813 ( -2.729 4.565 -10.036) 11.358 10.099 ( 0.088 4.297 1.576) 4.578 10.216 ( -5.734 6.990 3.693) 9.766 10.564 ( -0.914 1.683 5.455) 5.782 10.897 ( 1.170 2.710 -0.734) 3.041 10.934 ( 8.388 2.961 -2.676) 9.289 11.072 ( 0.389 6.112 1.309) 6.263 11.341 ( 1.337 12.747 -10.709) 16.702 12.103 ( -1.565 7.253 1.683) 7.608 12.267 ( 4.102 8.369 -1.120) 9.388 12.688 ( -2.936 -3.880 0.998) 4.966 12.810 ( -3.923 -8.496 -0.907) 9.402 12.927 ( 7.659 -2.711 1.187) 8.211 13.083 ( 2.372 -6.444 -5.845) 9.017 14.197 ( -2.203 -0.390 -1.983) 2.990 14.368 ( 0.667 -4.846 3.345) 5.926 14.466 ( -0.435 -3.168 -1.812) 3.676 14.571 ( 0.159 -4.016 1.035) 4.151 15.203 ( -1.100 -1.958 -0.560) 2.314 15.321 ( 1.955 -1.965 -5.420) 6.087 16.096 ( -3.200 -0.466 12.388) 12.803 16.592 ( 0.923 4.331 -3.144) 5.431 16.999 ( 0.530 5.071 0.343) 5.110 17.052 ( 0.334 4.097 -0.429) 4.133 20.681 ( -3.846 -0.500 1.740) 4.251 20.913 ( 1.684 3.841 -0.626) 4.241 20.969 ( 3.718 -0.216 1.343) 3.959 21.058 ( -1.469 -2.735 -5.612) 6.414 26.765 ( -3.422 -2.743 1.394) 4.603 26.965 ( -1.079 1.091 2.389) 2.839 27.309 ( 5.580 -0.246 0.390) 5.599 27.334 ( -0.077 -0.094 -0.367) 0.386 27.353 ( 3.146 -0.698 0.228) 3.230 27.531 ( -1.346 0.645 -12.403) 12.493 28.776 ( -2.839 0.149 0.283) 2.857 28.962 ( -4.689 4.709 -0.722) 6.684 29.064 ( 2.109 3.933 -0.646) 4.510 29.221 ( 1.380 5.161 4.388) 6.914 29.396 ( 0.812 1.142 2.888) 3.210 29.833 ( 5.736 3.829 -11.884) 13.741 31.377 ( -3.115 -0.341 -4.921) 5.834 31.613 ( -0.119 -1.158 -1.380) 1.805 31.805 ( -2.715 -2.114 7.438) 8.195 32.143 ( 0.211 -2.506 13.906) 14.132 32.260 ( 3.417 0.904 10.496) 11.075 33.117 ( -4.571 -17.112 -9.255) 19.984 ======================= Grid point 123 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 2.322 0.000 2.189) 3.191 2.187 ( 5.688 0.000 -5.292) 7.769 2.324 ( 11.829 0.000 6.731) 13.610 2.418 ( -3.937 -0.000 -1.788) 4.324 2.773 ( -1.209 -0.000 4.541) 4.700 2.867 ( 5.505 0.000 1.692) 5.760 3.204 ( -11.190 -0.000 -14.104) 18.004 3.273 ( 28.158 0.000 1.507) 28.199 3.568 ( -1.194 -0.000 -6.129) 6.244 3.719 ( -1.836 -0.000 10.952) 11.105 3.838 ( -9.291 -0.000 -6.741) 11.478 4.032 ( -3.833 -0.000 -9.281) 10.041 4.134 ( -11.300 -0.000 13.100) 17.300 4.351 ( -2.610 -0.000 10.555) 10.873 4.576 ( 0.328 0.000 15.102) 15.106 4.777 ( -13.869 -0.000 -3.961) 14.424 4.858 ( 2.055 0.000 -1.298) 2.431 4.910 ( 1.723 0.000 -0.498) 1.793 5.018 ( -6.916 -0.000 5.997) 9.154 5.125 ( -2.666 -0.000 -3.676) 4.541 5.253 ( 1.238 0.000 -5.873) 6.002 5.431 ( -0.774 -0.000 -3.627) 3.709 5.522 ( 1.476 0.000 -2.996) 3.340 5.553 ( 12.154 0.000 13.442) 18.122 5.756 ( 5.934 0.000 -6.783) 9.012 5.951 ( 11.587 0.000 -1.563) 11.692 5.971 ( 10.324 0.000 -4.226) 11.155 6.139 ( 5.314 0.000 -0.584) 5.346 6.229 ( 3.162 0.000 -3.214) 4.509 6.511 ( -2.941 -0.000 -11.293) 11.669 6.652 ( -5.479 -0.000 -0.351) 5.490 6.861 ( -10.451 -0.000 -0.018) 10.451 7.146 ( -13.081 -0.000 10.616) 16.846 7.223 ( -8.784 -0.000 5.671) 10.456 7.375 ( 0.998 0.000 -0.054) 0.999 7.441 ( -1.613 -0.000 -4.976) 5.231 7.902 ( -2.656 -0.000 4.721) 5.417 8.147 ( -6.207 -0.000 1.816) 6.467 8.253 ( -4.048 -0.000 1.873) 4.460 8.332 ( 2.539 0.000 -5.795) 6.327 8.609 ( 1.961 0.000 2.595) 3.252 9.194 ( 2.580 0.000 -6.546) 7.036 9.675 ( 4.218 0.000 2.492) 4.899 9.677 ( 4.344 0.000 -4.667) 6.376 9.882 ( 0.620 0.000 -3.885) 3.934 10.069 ( 2.371 0.000 11.476) 11.718 10.556 ( 1.661 0.000 6.455) 6.665 10.580 ( 1.475 0.000 -11.682) 11.775 10.851 ( 1.898 0.000 4.422) 4.812 10.910 ( 1.115 0.000 6.070) 6.172 11.032 ( -0.832 -0.000 0.011) 0.832 11.296 ( 4.029 0.000 -8.991) 9.853 12.174 ( 1.938 0.000 0.918) 2.144 12.313 ( 6.365 0.000 -3.706) 7.366 12.640 ( -7.368 -0.000 0.864) 7.419 12.669 ( -4.948 -0.000 -0.368) 4.961 12.966 ( 2.766 0.000 -0.852) 2.894 13.013 ( -2.109 -0.000 2.303) 3.123 14.145 ( 7.406 0.000 -7.316) 10.411 14.227 ( -3.396 -0.000 -0.590) 3.446 14.524 ( -4.272 -0.000 4.303) 6.063 14.640 ( -4.414 -0.000 2.296) 4.975 15.189 ( -0.387 -0.000 0.699) 0.799 15.347 ( 0.681 0.000 -2.595) 2.683 16.216 ( -3.662 -0.000 5.249) 6.400 16.492 ( 3.317 0.000 -2.617) 4.226 17.033 ( 1.995 0.000 0.562) 2.073 17.035 ( 3.123 0.000 -0.543) 3.170 20.777 ( -2.463 -0.000 2.534) 3.534 20.909 ( 0.701 0.000 -0.474) 0.846 20.973 ( 2.021 0.000 -1.446) 2.484 21.029 ( 1.328 0.000 0.166) 1.338 26.740 ( -2.959 -0.000 0.879) 3.087 27.020 ( 3.203 0.000 -8.102) 8.712 27.239 ( 1.689 0.000 8.350) 8.519 27.335 ( -0.020 -0.000 0.050) 0.054 27.336 ( -0.019 -0.000 0.007) 0.020 27.700 ( 1.476 0.000 4.899) 5.116 28.673 ( -0.775 -0.000 1.185) 1.416 28.754 ( 0.467 0.000 -0.650) 0.800 29.156 ( 1.309 0.000 0.775) 1.521 29.301 ( 5.947 0.000 -0.047) 5.947 29.448 ( -3.286 -0.000 2.362) 4.046 29.673 ( 7.907 0.000 0.920) 7.960 31.544 ( 1.035 0.000 -4.103) 4.232 31.584 ( -0.475 -0.000 0.579) 0.749 31.630 ( 0.715 0.000 -8.770) 8.799 32.373 ( -2.729 -0.000 -9.191) 9.588 32.582 ( -19.623 -0.000 16.970) 25.944 32.674 ( 1.902 0.000 -5.492) 5.812 ======================= Grid point 124 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.164 -2.246 3.490) 4.153 2.225 ( -2.427 4.508 -5.069) 7.205 2.311 ( 5.420 -0.034 -0.811) 5.480 2.545 ( 11.525 -5.404 12.710) 17.988 2.832 ( 2.173 -5.044 10.235) 11.616 2.945 ( -3.365 -3.022 -2.728) 5.282 3.126 ( -5.730 -8.605 -9.694) 14.172 3.450 ( 15.556 8.231 4.728) 18.224 3.532 ( -3.581 1.195 -4.207) 5.652 3.718 ( -2.608 -0.533 5.332) 5.960 3.756 ( -2.275 0.007 -5.006) 5.499 3.926 ( -6.699 2.627 -3.226) 7.886 4.105 ( -1.683 -3.148 1.930) 4.059 4.342 ( -2.683 4.739 5.394) 7.664 4.537 ( -15.329 2.424 -11.483) 19.306 4.587 ( 2.457 6.852 12.290) 14.284 4.828 ( 1.516 5.372 -2.905) 6.292 4.935 ( -1.685 -3.356 3.866) 5.389 5.024 ( -7.352 -4.861 -1.819) 9.000 5.175 ( 0.176 -6.538 3.187) 7.276 5.270 ( -0.200 1.112 -4.476) 4.616 5.314 ( -0.747 1.009 -0.566) 1.377 5.547 ( 4.175 0.947 -5.703) 7.131 5.669 ( -0.583 -3.794 2.551) 4.609 5.761 ( 5.293 2.714 2.563) 6.477 5.998 ( 7.198 4.881 -4.998) 10.030 6.106 ( 6.349 -1.466 -6.169) 8.973 6.238 ( 9.532 -1.726 3.500) 10.300 6.340 ( 9.800 -6.870 0.223) 11.971 6.441 ( 0.447 0.786 2.645) 2.795 6.600 ( -10.475 4.599 -2.293) 11.668 6.700 ( -0.110 4.754 -4.437) 6.504 7.088 ( -4.230 -6.049 7.335) 10.406 7.143 ( -5.867 5.182 5.654) 9.656 7.330 ( -5.479 6.597 -6.578) 10.807 7.521 ( -0.442 -12.209 -1.449) 12.302 7.852 ( 0.314 7.214 7.917) 10.716 8.102 ( -3.785 -1.571 -0.528) 4.132 8.252 ( 2.782 1.176 2.687) 4.043 8.358 ( 3.315 -0.086 -2.105) 3.928 8.615 ( 2.177 2.119 -0.167) 3.043 9.133 ( 2.294 7.251 -7.760) 10.866 9.638 ( 1.192 2.175 0.505) 2.531 9.766 ( 0.751 -2.763 1.330) 3.157 9.886 ( -0.959 -3.013 -6.294) 7.044 10.145 ( -1.001 -2.783 12.544) 12.887 10.504 ( 0.356 3.816 -5.054) 6.343 10.594 ( 0.590 0.771 2.864) 3.024 10.879 ( 0.319 0.281 5.523) 5.539 10.930 ( -5.662 -1.342 1.351) 5.974 11.005 ( 0.616 -1.325 0.710) 1.625 11.431 ( 0.839 -14.323 -11.245) 18.229 12.236 ( -1.160 -6.676 0.015) 6.777 12.361 ( 1.414 -2.981 -3.138) 4.554 12.591 ( -1.554 0.584 0.932) 1.904 12.644 ( 0.202 0.104 -0.336) 0.405 12.918 ( 0.449 8.554 1.447) 8.688 12.950 ( 1.486 6.786 0.601) 6.972 14.194 ( -2.076 -0.512 -2.846) 3.560 14.222 ( 9.164 -1.742 -4.923) 10.548 14.488 ( -2.143 2.620 5.327) 6.312 14.582 ( -3.359 3.470 1.280) 4.996 15.187 ( 0.178 0.397 0.873) 0.975 15.343 ( 2.094 0.869 -2.900) 3.681 16.167 ( -4.459 2.840 5.967) 7.972 16.545 ( 1.105 -4.190 -2.968) 5.252 17.055 ( -0.814 -1.688 0.180) 1.882 17.070 ( 0.891 -1.930 -0.213) 2.136 20.782 ( -1.492 -1.796 1.841) 2.973 20.884 ( -0.105 2.508 -0.434) 2.547 21.004 ( 3.147 -0.062 0.112) 3.149 21.029 ( -0.057 0.239 -0.374) 0.447 26.729 ( -1.491 -0.690 0.744) 1.804 27.030 ( 3.815 -1.065 -7.764) 8.716 27.243 ( 1.048 5.099 10.071) 11.337 27.332 ( -0.000 0.210 0.078) 0.224 27.340 ( -0.026 -0.183 -0.049) 0.191 27.704 ( 0.931 2.651 3.431) 4.435 28.702 ( -0.886 -3.564 1.866) 4.120 28.828 ( 0.730 -7.869 -0.689) 7.933 29.179 ( 0.143 -1.594 0.670) 1.735 29.346 ( 2.042 0.208 0.824) 2.212 29.411 ( -4.612 -0.287 0.750) 4.681 29.724 ( 8.054 3.960 4.415) 10.002 31.476 ( -0.146 3.489 -1.481) 3.793 31.568 ( 0.002 0.559 -11.572) 11.586 31.691 ( -1.083 -6.878 -1.385) 7.099 32.227 ( -9.025 1.675 -14.815) 17.428 32.438 ( -16.276 3.113 13.409) 21.317 32.765 ( 15.834 1.805 1.934) 16.053 ======================= Grid point 125 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -3.593 -1.782 2.869) 4.931 2.129 ( -2.090 -2.282 1.526) 3.450 2.444 ( 7.728 -3.370 3.453) 9.110 2.741 ( 5.966 -1.957 12.356) 13.859 2.844 ( -14.366 -2.618 -16.928) 22.356 3.000 ( -1.790 -5.584 4.166) 7.193 3.138 ( -7.488 1.848 6.375) 10.006 3.438 ( 12.214 3.809 4.856) 13.685 3.495 ( -1.783 7.048 0.681) 7.302 3.663 ( -0.592 0.269 -6.152) 6.186 3.789 ( -1.844 -5.724 0.511) 6.036 3.866 ( -1.638 -3.321 -4.897) 6.140 4.127 ( 1.564 7.526 -0.091) 7.688 4.230 ( 1.003 -0.014 5.508) 5.599 4.433 ( -12.107 -9.700 -11.936) 19.574 4.559 ( 6.810 6.385 4.540) 10.380 4.700 ( -2.500 9.048 -1.914) 9.580 4.926 ( -2.867 2.555 1.241) 4.036 5.018 ( -2.689 -0.529 -2.143) 3.480 5.220 ( -2.737 -3.246 -3.455) 5.474 5.325 ( 0.753 -5.887 7.523) 9.582 5.413 ( 6.437 -7.226 -2.963) 10.121 5.522 ( 4.479 3.276 -1.308) 5.701 5.746 ( -1.969 -5.169 -3.206) 6.393 5.805 ( 8.073 2.284 8.856) 12.199 5.969 ( 6.596 2.173 -4.255) 8.144 6.039 ( 0.796 4.890 -10.439) 11.555 6.292 ( -7.440 8.538 -1.403) 11.412 6.322 ( 1.783 1.242 0.633) 2.263 6.405 ( -6.480 -0.884 2.999) 7.195 6.631 ( 3.896 0.597 6.582) 7.672 6.769 ( 8.464 -6.576 2.594) 11.028 7.027 ( -1.235 5.673 -6.756) 8.907 7.107 ( -1.697 11.598 3.079) 12.120 7.224 ( -2.458 -9.248 2.856) 9.986 7.688 ( 2.182 -7.371 -0.150) 7.689 7.789 ( 2.224 3.824 7.777) 8.947 8.106 ( -0.846 -0.501 -1.783) 2.036 8.258 ( 3.774 1.311 -1.970) 4.454 8.383 ( 2.385 0.734 5.297) 5.856 8.582 ( 2.929 3.668 -6.924) 8.365 8.987 ( 2.685 7.943 -4.000) 9.289 9.649 ( -0.187 -1.965 2.934) 3.536 9.777 ( -2.773 0.429 1.356) 3.116 9.907 ( -3.160 -4.382 -9.074) 10.560 10.216 ( -3.403 -2.538 9.793) 10.674 10.430 ( -3.541 2.054 0.361) 4.110 10.584 ( -0.278 2.069 5.530) 5.911 10.851 ( -3.958 -0.550 -3.501) 5.313 10.938 ( -1.546 -1.970 6.092) 6.587 11.073 ( -1.317 -5.094 0.795) 5.321 11.593 ( -2.039 -10.003 -13.627) 17.027 12.326 ( -8.232 -7.643 -0.072) 11.233 12.411 ( -6.638 -6.589 -1.178) 9.427 12.619 ( 6.683 -0.700 0.545) 6.741 12.682 ( 6.639 -1.289 -0.369) 6.773 12.757 ( 0.662 9.599 0.538) 9.637 12.836 ( 7.969 11.725 0.751) 14.197 14.172 ( -2.284 -1.232 -3.414) 4.289 14.341 ( 10.711 -2.346 -3.200) 11.423 14.449 ( 0.247 2.892 3.939) 4.893 14.480 ( -2.416 5.740 1.037) 6.313 15.186 ( 0.442 0.545 0.802) 1.066 15.336 ( 2.993 1.497 -3.777) 5.046 16.109 ( -5.025 1.662 8.607) 10.104 16.603 ( -0.635 -3.860 -3.683) 5.373 17.070 ( -2.874 -2.199 0.008) 3.619 17.103 ( -1.300 -2.060 -0.025) 2.436 20.798 ( -1.740 0.344 0.309) 1.800 20.848 ( 0.914 0.974 1.190) 1.789 20.995 ( -1.250 0.291 -1.027) 1.644 21.053 ( 3.631 0.493 0.384) 3.685 26.730 ( -0.984 -0.257 0.651) 1.208 27.067 ( 3.533 -1.238 -6.029) 7.097 27.194 ( 1.611 4.924 9.030) 10.411 27.330 ( 0.031 0.049 0.135) 0.147 27.341 ( -0.032 -0.049 -0.108) 0.123 27.665 ( 0.929 3.679 -0.025) 3.794 28.763 ( -1.681 -3.431 2.452) 4.540 28.973 ( 0.940 -7.927 -1.432) 8.109 29.204 ( -3.483 -2.229 2.081) 4.629 29.319 ( -0.466 3.315 4.269) 5.425 29.391 ( -6.499 -2.711 -4.691) 8.461 29.762 ( 11.685 3.823 6.349) 13.837 31.429 ( -0.638 0.862 -5.534) 5.637 31.518 ( -1.360 0.481 -3.893) 4.152 31.752 ( -3.561 -3.936 -4.849) 7.189 32.122 ( -3.346 -2.574 -9.114) 10.044 32.290 ( -12.016 3.223 9.524) 15.668 32.877 ( 16.591 4.562 1.580) 17.279 ======================= Grid point 126 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -2.259 -5.729 5.965) 8.574 2.245 ( 1.659 -9.572 0.911) 9.757 2.551 ( 3.340 -0.670 1.826) 3.865 2.650 ( -14.752 -1.989 -20.962) 25.710 2.835 ( 1.187 0.859 7.053) 7.204 2.862 ( -0.970 13.517 19.478) 23.728 3.178 ( -8.803 -1.807 -3.602) 9.681 3.351 ( 4.807 1.586 3.310) 6.048 3.500 ( 7.453 -0.455 -6.437) 9.859 3.664 ( -9.864 8.955 -11.328) 17.488 3.740 ( 4.756 -5.721 -5.438) 9.215 3.920 ( 1.948 1.605 -1.304) 2.841 4.141 ( 3.922 -4.769 4.783) 7.811 4.308 ( 6.560 2.064 7.913) 10.484 4.471 ( -5.667 -4.703 -0.513) 7.382 4.505 ( -9.114 3.113 -1.507) 9.748 4.537 ( -1.456 -2.912 -8.019) 8.655 4.899 ( 2.412 2.019 6.562) 7.277 4.962 ( 1.800 1.928 -2.892) 3.914 5.251 ( -0.968 -3.145 -8.657) 9.261 5.439 ( 1.202 -2.403 7.176) 7.662 5.527 ( 4.735 1.100 -0.228) 4.866 5.587 ( 6.760 -3.768 2.216) 8.050 5.700 ( -0.738 4.890 7.739) 9.184 5.811 ( -6.098 4.721 -4.958) 9.168 5.992 ( 1.587 -0.754 -3.260) 3.703 6.084 ( 9.395 -9.688 1.248) 13.552 6.279 ( 7.706 -5.171 -7.870) 12.168 6.285 ( -3.327 0.104 2.604) 4.226 6.326 ( -3.878 2.917 1.209) 5.001 6.535 ( -8.577 6.655 4.048) 11.586 6.792 ( -3.768 13.880 2.026) 14.525 6.810 ( 2.680 8.042 0.342) 8.484 7.118 ( 5.474 0.561 -2.925) 6.232 7.331 ( -4.739 -6.876 6.704) 10.709 7.804 ( 6.209 2.719 6.038) 9.078 7.823 ( -0.934 -6.795 0.453) 6.874 8.067 ( 0.832 1.646 -7.481) 7.705 8.305 ( 4.332 -2.483 -6.548) 8.235 8.416 ( -1.071 -1.090 8.217) 8.358 8.509 ( 5.762 4.126 -6.901) 9.892 8.976 ( 6.387 -0.965 4.585) 7.921 9.693 ( 0.659 -0.094 -1.234) 1.402 9.745 ( -4.581 -1.733 7.046) 8.581 9.877 ( -5.299 -1.086 -9.504) 10.935 10.206 ( -3.515 1.359 -1.554) 4.076 10.374 ( -7.625 1.936 11.432) 13.878 10.580 ( -0.499 0.440 6.925) 6.957 10.845 ( 0.189 -3.153 -5.127) 6.022 10.977 ( -0.143 -1.392 2.809) 3.138 11.123 ( -3.370 -3.059 0.264) 4.559 11.588 ( -5.493 -0.189 -13.780) 14.836 12.286 ( -10.469 0.917 0.526) 10.523 12.421 ( -8.907 -4.075 -0.867) 9.833 12.636 ( 2.128 2.986 0.710) 3.735 12.680 ( 4.605 4.521 -0.408) 6.466 12.821 ( 11.254 -3.958 -0.724) 11.952 12.848 ( 12.885 -1.790 0.028) 13.009 14.171 ( -1.290 -2.182 -3.063) 3.976 14.359 ( -1.404 5.553 1.280) 5.869 14.434 ( 3.568 1.241 1.113) 3.938 14.474 ( 6.503 -2.144 -0.592) 6.873 15.184 ( 0.363 0.394 0.397) 0.667 15.324 ( 3.190 1.555 -4.781) 5.954 16.085 ( -4.913 -0.030 10.957) 12.008 16.628 ( -1.268 -1.955 -3.835) 4.487 17.070 ( -3.160 -1.177 0.012) 3.372 17.107 ( -2.352 -0.608 0.008) 2.429 20.734 ( -3.328 3.376 0.513) 4.768 20.881 ( 1.368 -2.298 0.548) 2.730 20.992 ( -0.011 -0.937 -1.187) 1.513 21.061 ( 3.079 2.577 0.137) 4.018 26.724 ( -0.933 0.110 1.136) 1.474 27.046 ( -0.775 3.448 2.183) 4.153 27.239 ( 6.166 -2.695 -0.366) 6.739 27.331 ( 0.040 -0.050 0.046) 0.078 27.341 ( 0.057 -0.039 -0.035) 0.077 27.607 ( 1.500 3.909 -3.268) 5.311 28.780 ( -3.215 -0.593 1.539) 3.613 29.057 ( 0.437 -1.625 -2.934) 3.382 29.169 ( -7.834 1.233 4.205) 8.976 29.304 ( -2.165 0.908 1.651) 2.871 29.347 ( -2.390 -2.502 -0.951) 3.588 29.867 ( 12.849 0.977 2.221) 13.076 31.375 ( -2.253 0.186 -10.813) 11.047 31.525 ( -1.777 -2.429 5.664) 6.414 31.741 ( -2.633 -1.396 -1.346) 3.270 32.123 ( -5.415 -0.070 4.155) 6.826 32.229 ( -3.284 -5.241 -2.146) 6.546 32.935 ( 13.270 5.711 -0.398) 14.452 ======================= Grid point 127 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -2.409 -2.018 2.356) 3.928 2.410 ( 3.741 -4.714 -14.536) 15.733 2.454 ( -9.139 -4.508 -4.565) 11.166 2.596 ( 6.089 6.968 5.546) 10.788 2.769 ( -3.298 -0.775 -0.386) 3.410 2.799 ( 3.421 10.583 8.619) 14.071 3.130 ( 5.482 -0.122 6.288) 8.343 3.384 ( -6.064 6.467 -1.244) 8.953 3.461 ( 3.976 -7.432 -4.487) 9.548 3.620 ( 3.652 -5.829 -9.904) 12.059 3.789 ( -2.046 9.973 -4.738) 11.229 3.862 ( 8.764 -2.711 -3.326) 9.758 4.195 ( -3.868 10.304 -0.004) 11.006 4.243 ( 0.801 -1.215 -9.454) 9.565 4.374 ( -9.053 0.558 13.773) 16.492 4.556 ( 3.433 -1.349 2.315) 4.355 4.641 ( -9.509 -17.942 -7.149) 21.527 4.954 ( 1.867 0.416 8.862) 9.067 4.997 ( 7.243 -1.396 0.618) 7.402 5.221 ( 2.024 1.385 -12.167) 12.412 5.415 ( -1.125 9.262 2.882) 9.765 5.511 ( -3.997 0.864 5.614) 6.945 5.594 ( 1.719 5.277 -2.842) 6.235 5.717 ( 0.282 -0.797 -2.079) 2.244 5.765 ( -2.765 -5.399 10.362) 12.007 6.005 ( 6.823 0.843 -4.030) 7.968 6.106 ( -5.020 10.925 1.387) 12.103 6.276 ( -0.294 -1.427 -1.888) 2.385 6.379 ( -6.598 -9.276 -1.305) 11.457 6.391 ( 5.021 -1.985 6.479) 8.434 6.537 ( 1.012 2.246 10.507) 10.792 6.647 ( -0.656 -11.416 -3.744) 12.032 6.702 ( 4.916 5.834 -3.309) 8.315 7.043 ( 0.402 6.526 -0.321) 6.546 7.386 ( -2.238 -0.404 2.809) 3.614 7.758 ( -5.695 3.194 -1.120) 6.624 7.904 ( -2.091 -2.201 -1.457) 3.367 8.092 ( 4.336 -5.319 -3.929) 7.908 8.287 ( 1.260 2.577 -8.015) 8.513 8.468 ( -2.043 -3.869 7.323) 8.531 8.591 ( 9.036 -4.076 -1.126) 9.976 9.105 ( 5.124 -2.733 8.899) 10.626 9.648 ( -0.374 3.552 -0.931) 3.691 9.793 ( -3.302 -0.091 -1.029) 3.460 9.802 ( -1.073 -1.202 1.847) 2.451 10.134 ( -1.698 1.841 -5.291) 5.854 10.282 ( -8.123 5.171 11.859) 15.276 10.602 ( -0.116 0.352 7.743) 7.752 10.904 ( 2.472 -2.770 -3.812) 5.321 10.998 ( 2.604 -0.353 -3.412) 4.306 11.107 ( -4.120 0.316 -0.565) 4.170 11.439 ( -3.847 4.976 -12.237) 13.759 12.169 ( -5.389 3.425 1.470) 6.552 12.381 ( -2.003 1.264 -2.455) 3.412 12.633 ( 0.574 -0.162 0.180) 0.623 12.679 ( 1.097 -1.548 -0.699) 2.021 12.987 ( 8.178 -3.737 -0.885) 9.035 12.991 ( 6.132 -3.235 -0.492) 6.951 14.182 ( -0.157 -0.374 -2.641) 2.672 14.301 ( -2.069 -0.596 2.993) 3.687 14.461 ( 3.484 -0.313 -0.119) 3.500 14.547 ( 2.813 -0.845 0.340) 2.957 15.183 ( -0.002 0.056 -0.091) 0.107 15.313 ( 2.646 0.714 -5.478) 6.125 16.092 ( -4.578 -0.960 11.665) 12.568 16.620 ( -0.267 0.184 -3.382) 3.397 17.050 ( -1.301 0.933 0.047) 1.601 17.085 ( -1.565 0.719 0.040) 1.722 20.659 ( -3.275 1.530 1.020) 3.756 20.942 ( 0.635 -3.715 -0.681) 3.830 20.987 ( 1.233 2.638 -1.339) 3.205 21.044 ( 1.995 1.591 -0.033) 2.552 26.724 ( -0.554 -0.508 2.286) 2.406 26.997 ( -1.188 2.483 3.845) 4.728 27.322 ( 1.740 -1.594 -3.707) 4.394 27.332 ( 0.089 -0.027 -0.031) 0.098 27.352 ( 1.265 -1.485 -2.413) 3.103 27.554 ( 4.429 3.800 -3.724) 6.923 28.753 ( -2.736 0.061 0.543) 2.791 28.980 ( -6.417 4.551 -1.148) 7.951 29.117 ( 0.168 0.998 -1.345) 1.683 29.276 ( -2.539 0.219 3.195) 4.087 29.398 ( 0.389 -2.286 2.430) 3.359 29.938 ( 9.827 4.097 -3.800) 11.305 31.320 ( -3.073 -0.636 -5.663) 6.475 31.576 ( -0.330 -2.977 1.436) 3.322 31.766 ( -2.183 -2.652 5.683) 6.640 32.105 ( -4.762 -2.468 12.245) 13.368 32.306 ( -0.301 -5.494 -5.033) 7.456 32.950 ( 6.517 2.436 -3.888) 7.970 ======================= Grid point 133 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.012 0.000 3.413) 3.962 2.257 ( -1.276 -0.000 -3.181) 3.428 2.380 ( 8.292 0.000 -1.463) 8.420 2.518 ( -12.342 -0.000 -5.958) 13.705 2.840 ( 5.600 0.000 13.120) 14.265 2.905 ( -14.383 -0.000 13.839) 19.960 2.950 ( 4.359 0.000 -4.675) 6.392 3.548 ( 5.034 0.000 -3.112) 5.918 3.617 ( 10.502 0.000 -10.036) 14.526 3.729 ( -0.150 -0.000 8.789) 8.791 3.808 ( 5.052 0.000 4.012) 6.451 3.915 ( -15.647 -0.000 0.491) 15.655 3.952 ( -2.422 -0.000 -9.341) 9.650 4.310 ( -16.883 -0.000 -16.476) 23.590 4.402 ( 2.707 0.000 2.295) 3.549 4.789 ( 6.972 0.000 18.920) 20.164 4.812 ( -7.897 -0.000 -4.448) 9.064 4.857 ( -2.681 -0.000 1.000) 2.862 5.018 ( 3.237 0.000 9.408) 9.949 5.063 ( -8.412 -0.000 7.402) 11.205 5.288 ( -4.256 -0.000 -0.750) 4.321 5.300 ( 3.114 0.000 -6.634) 7.328 5.517 ( 0.839 0.000 -3.760) 3.852 5.649 ( 0.963 0.000 -1.816) 2.055 5.874 ( 8.183 0.000 3.110) 8.754 6.081 ( -5.513 -0.000 -4.228) 6.947 6.144 ( 10.718 0.000 0.107) 10.719 6.311 ( 4.992 0.000 7.603) 9.096 6.389 ( 12.661 0.000 -13.129) 18.239 6.479 ( 3.272 0.000 2.875) 4.356 6.551 ( 0.308 0.000 -3.849) 3.862 6.771 ( 7.335 0.000 -4.098) 8.403 6.994 ( -9.776 -0.000 7.550) 12.352 7.195 ( 0.616 0.000 6.100) 6.131 7.274 ( -8.116 -0.000 -12.748) 15.112 7.383 ( -0.570 -0.000 0.902) 1.067 7.978 ( 5.051 0.000 5.917) 7.779 8.050 ( -1.833 -0.000 1.522) 2.383 8.321 ( 6.140 0.000 0.677) 6.177 8.414 ( 8.720 0.000 0.100) 8.721 8.662 ( 1.376 0.000 2.745) 3.070 9.187 ( 2.339 0.000 -7.737) 8.083 9.692 ( 0.379 0.000 -2.876) 2.901 9.701 ( -3.563 -0.000 3.544) 5.025 9.833 ( -3.029 -0.000 -3.668) 4.757 10.137 ( -4.336 -0.000 10.667) 11.514 10.524 ( 0.929 0.000 -9.254) 9.300 10.627 ( -0.308 -0.000 8.857) 8.863 10.853 ( -8.834 -0.000 0.232) 8.837 10.873 ( -2.894 -0.000 4.546) 5.389 11.033 ( -0.282 -0.000 1.647) 1.671 11.202 ( -5.432 -0.000 -12.708) 13.820 12.152 ( -4.221 -0.000 0.190) 4.225 12.316 ( -3.422 -0.000 -3.163) 4.660 12.615 ( 5.091 0.000 0.431) 5.110 12.668 ( 4.155 0.000 -0.297) 4.165 12.962 ( -3.601 -0.000 -0.036) 3.601 13.072 ( 7.421 0.000 2.057) 7.701 14.159 ( -1.435 -0.000 -4.416) 4.644 14.297 ( 12.657 0.000 -4.173) 13.327 14.522 ( -0.709 -0.000 7.534) 7.567 14.586 ( -2.559 -0.000 0.414) 2.592 15.200 ( 0.992 0.000 1.249) 1.595 15.365 ( 3.179 0.000 -2.865) 4.279 16.164 ( -5.481 -0.000 4.204) 6.908 16.500 ( -0.598 -0.000 -2.093) 2.177 17.019 ( -3.457 -0.000 -0.091) 3.458 17.051 ( -1.296 -0.000 0.140) 1.303 20.764 ( -0.506 -0.000 1.832) 1.900 20.895 ( -0.906 -0.000 -0.420) 0.998 21.014 ( -2.556 -0.000 -0.760) 2.667 21.056 ( 6.124 0.000 0.971) 6.200 26.728 ( 1.141 0.000 0.994) 1.514 27.027 ( 3.848 0.000 -7.886) 8.774 27.335 ( -0.176 -0.000 1.547) 1.557 27.335 ( -0.063 -0.000 -0.033) 0.071 27.341 ( 1.239 0.000 9.374) 9.456 27.749 ( -0.259 -0.000 5.170) 5.176 28.671 ( -0.187 -0.000 1.044) 1.060 28.758 ( 0.424 0.000 -0.471) 0.634 29.156 ( -1.876 -0.000 0.885) 2.075 29.348 ( -4.056 -0.000 -2.983) 5.035 29.379 ( -2.221 -0.000 4.363) 4.896 29.858 ( 8.386 0.000 8.124) 11.675 31.475 ( 0.633 0.000 -18.330) 18.341 31.543 ( -2.916 -0.000 -1.947) 3.507 31.617 ( 0.049 0.000 1.533) 1.534 32.094 ( -8.255 -0.000 -14.520) 16.703 32.357 ( -14.957 -0.000 10.573) 18.317 32.973 ( 20.936 0.000 2.857) 21.130 ======================= Grid point 134 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.375 2.495 1.760) 3.076 2.097 ( -8.980 4.203 -0.452) 9.925 2.425 ( -8.961 -7.555 -8.067) 14.229 2.574 ( 5.515 -7.638 -3.858) 10.181 2.718 ( -19.262 1.842 4.299) 19.822 2.931 ( -3.714 -6.635 9.768) 12.379 3.104 ( 7.186 -2.099 5.713) 9.417 3.580 ( -13.525 5.191 -2.810) 14.757 3.601 ( 12.185 4.076 -1.004) 12.888 3.665 ( -2.011 1.988 -8.861) 9.301 3.780 ( 2.604 -3.369 -6.832) 8.050 3.894 ( 5.016 3.616 13.922) 15.234 3.931 ( -14.999 -12.082 -10.928) 22.145 4.258 ( 10.390 -0.598 5.157) 11.615 4.360 ( -1.900 11.168 3.810) 11.952 4.683 ( -0.998 0.365 -2.282) 2.517 4.798 ( -1.839 6.330 3.544) 7.484 4.955 ( 2.082 2.910 0.597) 3.627 5.006 ( 1.480 -2.499 10.694) 11.081 5.125 ( -3.760 -4.659 2.040) 6.325 5.269 ( 1.232 -2.846 4.011) 5.070 5.315 ( -2.345 -4.003 -5.698) 7.347 5.565 ( 5.225 -1.890 -1.344) 5.717 5.666 ( 0.961 -3.562 -0.756) 3.766 5.921 ( 1.473 3.629 0.973) 4.036 5.974 ( -3.629 0.748 -5.004) 6.226 6.237 ( 15.309 3.569 -0.614) 15.731 6.276 ( -8.491 3.186 -10.962) 14.227 6.344 ( -5.448 2.651 2.435) 6.530 6.461 ( 3.372 10.402 5.854) 12.403 6.702 ( 13.580 -6.809 0.366) 15.196 6.815 ( 11.107 3.689 -2.666) 12.003 7.017 ( -3.878 -6.765 3.750) 8.653 7.091 ( -5.859 4.368 -10.779) 13.023 7.255 ( 6.947 0.118 2.537) 7.397 7.488 ( -3.217 -11.238 -0.410) 11.697 7.986 ( 7.839 6.023 6.516) 11.840 8.089 ( 2.263 -1.270 1.559) 3.027 8.346 ( 6.623 4.106 -2.083) 8.066 8.497 ( 8.452 2.283 4.821) 9.994 8.656 ( 3.133 3.109 -0.458) 4.438 9.116 ( 2.308 7.103 -7.814) 10.808 9.636 ( -2.929 0.683 4.216) 5.179 9.736 ( -4.212 -3.070 0.975) 5.302 9.783 ( -4.821 -0.966 -6.113) 7.845 10.152 ( -6.071 -3.407 8.370) 10.887 10.447 ( -2.964 4.544 -2.927) 6.165 10.635 ( -1.893 1.737 8.609) 8.984 10.763 ( -8.856 -1.105 -3.374) 9.541 10.892 ( -3.781 -3.189 4.773) 6.873 10.981 ( -3.709 -1.446 -1.272) 4.179 11.282 ( -7.225 -15.388 -11.477) 20.511 12.150 ( -6.418 -4.930 0.102) 8.094 12.277 ( -6.583 -2.183 -1.490) 7.094 12.692 ( 9.906 -0.373 -0.062) 9.913 12.711 ( 3.118 -1.033 -0.757) 3.371 12.885 ( 0.145 5.714 -0.138) 5.717 13.090 ( 9.213 7.601 1.559) 12.045 14.136 ( 0.272 -0.210 -5.385) 5.396 14.416 ( 13.001 -0.869 -2.913) 13.352 14.523 ( 0.376 3.089 5.013) 5.900 14.542 ( -1.261 3.036 2.267) 3.993 15.213 ( 1.937 0.883 1.463) 2.583 15.378 ( 3.909 1.195 -3.706) 5.517 16.110 ( -5.888 1.371 5.604) 8.243 16.512 ( -2.455 -3.638 -2.320) 4.964 16.994 ( -5.037 -1.992 -0.129) 5.418 17.047 ( -3.151 -1.864 0.326) 3.676 20.781 ( -0.019 -1.082 1.120) 1.557 20.874 ( -1.023 1.202 0.654) 1.709 20.974 ( -3.645 0.506 -1.134) 3.851 21.119 ( 7.189 0.783 0.847) 7.281 26.746 ( 2.606 0.725 1.014) 2.889 27.053 ( 4.443 -1.826 -6.946) 8.445 27.323 ( -0.441 3.956 6.017) 7.215 27.338 ( -0.073 1.437 3.005) 3.332 27.338 ( 0.119 0.666 0.852) 1.088 27.738 ( 0.194 2.828 3.395) 4.423 28.697 ( -0.912 -3.021 1.207) 3.379 28.842 ( 1.038 -8.129 -0.143) 8.196 29.141 ( -4.360 -0.807 1.238) 4.603 29.289 ( -7.450 -0.830 -1.172) 7.587 29.361 ( -1.718 1.324 1.180) 2.469 29.952 ( 9.971 2.652 10.532) 14.744 31.395 ( -0.679 0.921 -17.939) 17.976 31.501 ( -2.287 0.422 -1.617) 2.832 31.656 ( -1.445 -3.327 0.502) 3.662 31.997 ( -4.846 -2.284 -10.999) 12.235 32.247 ( -12.325 1.616 8.085) 14.829 33.151 ( 21.672 4.526 2.051) 22.235 ======================= Grid point 135 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -9.709 -6.316 2.524) 11.855 2.096 ( -2.639 -5.373 4.184) 7.303 2.357 ( -16.126 -2.045 -19.652) 25.504 2.523 ( -12.970 -6.343 4.259) 15.053 2.786 ( 5.754 -2.878 2.246) 6.815 3.014 ( -5.374 -4.100 2.694) 7.276 3.192 ( 9.980 2.678 8.457) 13.353 3.429 ( -4.586 -1.898 1.625) 5.223 3.580 ( -2.004 4.471 -4.501) 6.653 3.655 ( 1.976 -0.980 -0.566) 2.277 3.800 ( 5.690 7.247 -7.714) 12.017 3.886 ( -12.180 -14.053 -13.014) 22.698 3.969 ( 1.768 1.490 3.453) 4.156 4.184 ( -2.025 4.564 6.164) 7.933 4.446 ( 6.347 -0.601 13.598) 15.019 4.609 ( -6.279 8.408 4.331) 11.352 4.664 ( 4.843 7.721 -3.290) 9.689 4.940 ( 5.063 0.367 -3.110) 5.953 5.058 ( 6.499 1.253 6.233) 9.092 5.161 ( -2.044 -0.739 -5.919) 6.305 5.378 ( -1.140 -8.669 9.129) 12.641 5.402 ( -1.814 -8.785 -1.610) 9.114 5.648 ( 5.501 -2.370 0.712) 6.032 5.715 ( -7.486 1.363 2.335) 7.959 5.854 ( 2.155 0.841 -7.766) 8.104 5.958 ( -1.120 0.907 -2.755) 3.109 6.133 ( -4.105 -1.759 -7.376) 8.623 6.211 ( 3.340 7.270 3.396) 8.691 6.312 ( 6.774 -0.089 -4.691) 8.240 6.396 ( 5.506 5.773 5.016) 9.424 6.640 ( -5.312 11.531 -2.247) 12.893 6.878 ( -0.304 0.967 -1.794) 2.060 7.011 ( 11.455 4.275 -0.217) 12.228 7.176 ( -3.892 -6.845 2.127) 8.157 7.280 ( 11.263 6.315 2.306) 13.116 7.619 ( -7.332 -10.112 -1.565) 12.588 8.013 ( 11.370 5.815 8.073) 15.109 8.118 ( 4.486 2.455 -1.860) 5.442 8.324 ( 6.859 2.752 -5.580) 9.261 8.502 ( 3.357 5.210 5.291) 8.149 8.629 ( 7.352 5.634 -4.659) 10.368 9.037 ( 4.006 1.408 0.302) 4.257 9.661 ( -2.388 -3.930 7.873) 9.118 9.702 ( -4.761 0.436 -0.864) 4.858 9.755 ( -5.602 -3.404 -6.713) 9.383 10.156 ( -5.266 -1.036 -2.448) 5.899 10.354 ( -8.967 0.597 11.856) 14.877 10.615 ( -2.302 1.354 8.504) 8.913 10.742 ( -3.533 -5.406 -4.589) 7.922 10.924 ( -3.444 -3.529 1.819) 5.256 11.001 ( -5.490 -5.524 -1.587) 7.949 11.369 ( -10.718 -10.187 -13.786) 20.216 12.155 ( -9.190 -3.903 0.860) 10.021 12.257 ( -7.741 -4.265 -0.938) 8.888 12.705 ( -2.680 0.868 -0.963) 2.977 12.797 ( 9.847 1.649 0.339) 9.990 12.858 ( 8.761 1.860 -0.067) 8.957 13.059 ( 13.248 7.202 -0.315) 15.082 14.134 ( 1.751 -0.754 -4.909) 5.266 14.445 ( -1.061 5.375 -0.684) 5.521 14.515 ( 2.491 3.572 5.546) 7.052 14.533 ( 10.253 -0.221 -1.098) 10.314 15.216 ( 2.246 1.794 1.251) 3.135 15.372 ( 4.016 2.176 -4.952) 6.737 16.069 ( -5.716 -0.114 8.511) 10.253 16.542 ( -3.147 -4.238 -2.784) 5.968 16.988 ( -5.211 -3.210 -0.010) 6.120 17.050 ( -3.970 -2.403 0.234) 4.647 20.762 ( -2.304 3.016 -0.258) 3.805 20.865 ( -0.350 -0.825 1.593) 1.828 20.950 ( -2.053 -2.033 -0.967) 3.047 21.159 ( 6.818 3.076 0.243) 7.484 26.755 ( 2.934 1.841 1.137) 3.646 27.093 ( 2.287 0.715 -1.984) 3.111 27.260 ( -0.188 2.397 3.105) 3.927 27.333 ( 0.074 0.142 0.273) 0.317 27.339 ( -0.054 -0.127 -0.016) 0.139 27.698 ( 2.820 4.328 0.466) 5.187 28.737 ( -2.204 -2.219 1.052) 3.300 28.980 ( 0.399 -6.588 -0.683) 6.635 29.111 ( -7.054 -1.034 3.315) 7.862 29.219 ( -7.581 -0.951 -3.690) 8.485 29.336 ( -1.409 -0.315 1.812) 2.317 30.047 ( 12.521 3.030 6.990) 14.657 31.311 ( -2.551 0.122 -12.885) 13.136 31.490 ( -1.685 -1.504 1.561) 2.745 31.687 ( -1.675 -2.391 0.965) 3.075 32.002 ( -3.170 -6.633 -7.904) 10.794 32.145 ( -9.146 1.079 6.155) 11.077 33.237 ( 19.449 9.676 0.817) 21.738 ======================= Grid point 136 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -5.000 -16.848 4.399) 18.117 2.144 ( -8.647 -1.527 -6.689) 11.039 2.241 ( -2.392 -8.705 -12.374) 15.317 2.567 ( -12.786 -10.727 1.597) 16.767 2.818 ( 2.613 4.483 7.208) 8.882 3.014 ( 3.017 4.044 1.339) 5.220 3.210 ( 2.418 3.967 1.674) 4.939 3.423 ( -3.132 4.723 0.256) 5.672 3.495 ( 6.781 1.458 2.207) 7.278 3.672 ( 9.375 5.325 0.297) 10.785 3.768 ( 1.157 -0.663 1.208) 1.799 3.957 ( -6.146 -7.038 -4.452) 10.350 4.013 ( -0.840 -10.085 -15.472) 18.488 4.240 ( -0.750 -9.217 0.167) 9.249 4.325 ( -6.262 8.546 2.415) 10.866 4.429 ( -5.750 8.345 4.952) 11.279 4.671 ( 9.624 5.126 4.369) 11.746 4.965 ( -2.407 -0.353 -2.798) 3.708 5.086 ( 4.790 1.608 -0.071) 5.053 5.216 ( 8.403 -2.990 2.005) 9.142 5.459 ( -4.144 -3.107 5.310) 7.418 5.511 ( -8.523 3.694 -0.010) 9.289 5.596 ( -5.169 -1.398 -1.191) 5.486 5.677 ( -5.748 3.301 -2.757) 7.179 5.744 ( 4.276 0.989 -2.243) 4.928 5.981 ( -0.088 -3.317 -0.113) 3.321 6.103 ( -12.250 -2.637 -4.944) 13.471 6.232 ( -1.061 -3.509 7.973) 8.776 6.322 ( 2.056 5.098 -5.330) 7.656 6.460 ( 13.337 -5.256 -6.519) 15.748 6.555 ( 11.736 -1.311 9.185) 14.960 6.777 ( -0.055 18.023 5.192) 18.757 6.884 ( 4.622 11.622 -6.201) 13.960 7.128 ( 0.669 3.268 0.672) 3.403 7.393 ( 4.040 -1.491 7.315) 8.489 7.642 ( -11.335 -4.827 -2.544) 12.580 7.968 ( 2.666 8.984 -4.818) 10.538 8.142 ( 10.454 1.919 2.983) 11.039 8.332 ( 6.109 3.388 -9.118) 11.487 8.481 ( 2.284 2.169 6.206) 6.960 8.635 ( 8.075 0.034 -1.629) 8.238 9.125 ( 3.239 -3.437 6.802) 8.281 9.670 ( -0.527 -0.193 -0.931) 1.087 9.718 ( -4.524 -1.780 -7.408) 8.861 9.763 ( -1.412 -5.461 11.497) 12.806 10.095 ( -3.708 -0.470 -6.554) 7.545 10.308 ( -9.619 2.050 16.005) 18.785 10.627 ( -0.919 -0.688 9.458) 9.528 10.825 ( 1.235 -7.175 -5.281) 8.994 10.950 ( -2.806 -3.470 -3.216) 5.500 11.018 ( -6.359 -3.823 -2.139) 7.721 11.325 ( -9.969 -4.890 -14.538) 18.294 12.118 ( -8.110 -1.832 1.659) 8.478 12.263 ( -6.588 -5.568 -2.162) 8.892 12.671 ( 0.938 1.918 0.151) 2.140 12.793 ( 6.798 7.104 -0.281) 9.836 12.937 ( 3.902 -2.902 -0.644) 4.905 13.120 ( 12.951 2.568 -1.421) 13.280 14.157 ( 2.345 -1.409 -3.563) 4.492 14.347 ( -0.718 5.119 0.897) 5.246 14.511 ( 3.223 2.144 3.089) 4.952 14.596 ( 5.466 1.623 -0.049) 5.702 15.207 ( 1.717 2.011 0.688) 2.732 15.348 ( 3.440 2.466 -5.892) 7.254 16.065 ( -5.432 -1.350 10.322) 11.742 16.570 ( -1.999 -3.514 -2.726) 4.876 17.000 ( -3.906 -3.438 0.142) 5.206 17.052 ( -3.138 -1.977 0.033) 3.709 20.676 ( -2.480 3.398 0.109) 4.209 20.894 ( -0.249 -2.441 0.728) 2.559 20.976 ( -1.045 -2.313 -1.008) 2.731 21.145 ( 5.224 5.325 -0.365) 7.468 26.757 ( 3.044 1.900 2.291) 4.258 27.048 ( -1.981 3.720 4.538) 6.193 27.272 ( 0.065 -2.236 -6.274) 6.661 27.332 ( 0.048 0.055 0.017) 0.075 27.342 ( -0.021 -0.203 -0.079) 0.219 27.668 ( 6.474 4.128 -1.723) 7.869 28.732 ( -2.009 -0.122 0.459) 2.064 28.979 ( -6.260 3.310 -2.300) 7.445 29.083 ( -2.984 -2.759 0.186) 4.068 29.213 ( -3.915 -4.561 1.492) 6.193 29.361 ( -1.050 -2.879 1.847) 3.578 30.110 ( 11.145 5.122 -2.315) 12.482 31.263 ( -2.914 -0.843 -1.492) 3.381 31.527 ( -0.463 -3.244 2.228) 3.962 31.723 ( -1.287 -2.674 3.386) 4.503 32.056 ( -4.179 -4.297 1.564) 6.195 32.113 ( -6.071 -6.184 -2.209) 8.944 33.209 ( 14.977 13.488 -0.776) 20.170 ======================= Grid point 143 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -28.547 -0.000 -12.001) 30.967 2.076 ( 2.480 0.000 3.231) 4.073 2.143 ( -6.385 -0.000 -5.800) 8.626 2.505 ( -31.415 -0.000 7.106) 32.208 2.653 ( 14.351 0.000 5.815) 15.484 2.832 ( -5.310 -0.000 3.602) 6.417 3.190 ( 12.267 0.000 -11.416) 16.757 3.242 ( -40.729 -0.000 -15.181) 43.467 3.586 ( -13.549 -0.000 -5.152) 14.495 3.720 ( 0.188 0.000 4.264) 4.268 3.752 ( 6.499 0.000 -15.311) 16.633 3.850 ( 16.446 0.000 17.009) 23.660 4.115 ( 14.177 0.000 18.105) 22.995 4.412 ( 14.654 0.000 6.669) 16.100 4.511 ( -5.936 -0.000 2.559) 6.465 4.618 ( 3.054 0.000 -0.195) 3.060 4.880 ( 2.782 0.000 3.166) 4.214 4.954 ( -4.919 -0.000 7.262) 8.771 5.069 ( -2.111 -0.000 -12.895) 13.067 5.070 ( 6.092 0.000 14.460) 15.691 5.246 ( 0.619 0.000 5.983) 6.015 5.285 ( 2.386 0.000 -3.603) 4.321 5.590 ( 5.455 0.000 -2.198) 5.882 5.610 ( -4.124 -0.000 -1.171) 4.287 5.888 ( -8.353 -0.000 -1.222) 8.442 6.009 ( 5.822 0.000 -0.555) 5.849 6.178 ( -12.135 -0.000 -10.909) 16.318 6.206 ( -6.801 -0.000 2.296) 7.178 6.519 ( 14.464 0.000 8.359) 16.706 6.690 ( 11.545 0.000 -1.051) 11.593 6.755 ( 14.538 0.000 -7.604) 16.407 6.882 ( -5.366 -0.000 -0.579) 5.397 6.909 ( -0.732 -0.000 -15.257) 15.274 7.091 ( 8.552 0.000 -3.449) 9.221 7.297 ( -0.042 -0.000 9.032) 9.032 7.378 ( 4.928 0.000 -1.223) 5.077 8.112 ( 5.504 0.000 4.904) 7.371 8.154 ( 10.172 0.000 2.884) 10.573 8.457 ( 9.608 0.000 -4.311) 10.531 8.613 ( 6.007 0.000 6.772) 9.052 8.723 ( 5.153 0.000 2.236) 5.617 9.178 ( 3.658 0.000 -9.208) 9.908 9.624 ( -6.793 -0.000 4.513) 8.156 9.658 ( -2.314 -0.000 -0.949) 2.501 9.716 ( -7.156 -0.000 -0.837) 7.204 10.083 ( -6.502 -0.000 6.816) 9.420 10.467 ( -2.052 -0.000 -5.329) 5.710 10.645 ( -11.133 -0.000 -2.402) 11.389 10.652 ( -4.892 -0.000 8.773) 10.045 10.829 ( -4.874 -0.000 4.652) 6.738 10.919 ( -13.248 -0.000 -13.762) 19.102 10.996 ( -5.057 -0.000 0.748) 5.112 12.055 ( -5.525 -0.000 0.355) 5.537 12.191 ( -7.049 -0.000 -1.168) 7.145 12.676 ( -7.248 -0.000 -1.908) 7.495 12.795 ( 12.346 0.000 -0.169) 12.347 12.960 ( 6.369 0.000 0.350) 6.379 13.245 ( 8.901 0.000 1.082) 8.967 14.128 ( 2.760 0.000 -6.350) 6.924 14.526 ( 12.942 0.000 -2.426) 13.167 14.545 ( -1.703 -0.000 -0.773) 1.870 14.599 ( 2.213 0.000 8.663) 8.941 15.257 ( 4.019 0.000 1.925) 4.456 15.414 ( 4.553 0.000 -4.410) 6.339 16.080 ( -6.266 -0.000 4.280) 7.588 16.441 ( -4.339 -0.000 -0.919) 4.435 16.925 ( -5.669 -0.000 -0.104) 5.670 16.996 ( -4.409 -0.000 0.540) 4.442 20.779 ( 0.482 0.000 1.434) 1.513 20.871 ( -1.894 -0.000 0.702) 2.020 20.935 ( -4.619 -0.000 -1.088) 4.746 21.206 ( 8.818 0.000 0.191) 8.820 26.797 ( 5.155 0.000 1.244) 5.303 27.053 ( 4.649 0.000 -6.688) 8.145 27.334 ( -0.050 -0.000 -0.057) 0.076 27.335 ( -0.062 -0.000 0.150) 0.162 27.425 ( -0.252 -0.000 9.253) 9.256 27.764 ( -1.638 -0.000 3.682) 4.030 28.682 ( 0.660 0.000 0.634) 0.915 28.763 ( 0.325 0.000 -0.266) 0.420 29.107 ( -3.789 -0.000 0.898) 3.894 29.203 ( -8.551 -0.000 0.466) 8.564 29.340 ( -4.587 -0.000 -0.446) 4.608 30.109 ( 10.002 0.000 11.702) 15.394 31.318 ( -1.918 -0.000 -19.139) 19.235 31.473 ( -2.171 -0.000 -2.292) 3.157 31.628 ( -0.969 -0.000 3.246) 3.388 31.897 ( -3.915 -0.000 -9.520) 10.294 32.175 ( -10.830 -0.000 6.347) 12.553 33.412 ( 23.034 0.000 1.251) 23.068 ======================= Grid point 144 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -28.113 -3.076 -5.276) 28.769 2.040 ( -14.911 -2.579 3.517) 15.535 2.165 ( -4.879 -5.115 -4.628) 8.449 2.236 ( -16.939 -1.290 -3.163) 17.280 2.802 ( -10.898 -6.495 -1.090) 12.734 2.912 ( 10.909 -3.030 -2.481) 11.591 2.984 ( -27.621 -18.755 8.140) 34.364 3.229 ( 0.797 -4.750 -10.284) 11.356 3.496 ( -1.986 1.712 -8.635) 9.025 3.708 ( -1.560 2.042 7.275) 7.716 3.804 ( 11.627 -2.915 -17.585) 21.282 3.951 ( 12.434 8.791 14.229) 20.841 4.254 ( -5.591 13.067 11.308) 18.162 4.307 ( 2.941 4.477 11.847) 13.002 4.559 ( 9.426 4.217 6.273) 12.082 4.637 ( -3.625 1.893 1.398) 4.322 4.834 ( 2.835 8.001 2.325) 8.801 5.013 ( 8.952 0.031 -8.532) 12.367 5.046 ( 3.804 -5.956 1.479) 7.220 5.219 ( 3.374 -0.070 9.052) 9.661 5.232 ( -0.095 -2.892 -4.295) 5.179 5.327 ( 0.543 -2.453 7.385) 7.801 5.598 ( -0.730 -3.886 -2.879) 4.891 5.675 ( -0.160 -3.250 0.077) 3.255 5.798 ( -5.790 0.298 -5.654) 8.098 5.993 ( -5.632 3.898 -4.600) 8.251 6.057 ( 3.208 0.743 -1.770) 3.738 6.201 ( -4.623 -4.499 2.020) 6.760 6.509 ( -3.464 16.251 -1.146) 16.656 6.655 ( 21.604 4.877 -3.612) 22.441 6.726 ( -7.595 8.401 -10.489) 15.437 6.852 ( 3.961 -3.053 -5.157) 7.184 7.014 ( 0.500 -11.121 1.473) 11.230 7.188 ( 13.832 3.145 0.826) 14.209 7.383 ( -6.804 -8.381 1.652) 10.921 7.498 ( 17.015 1.405 2.959) 17.328 8.190 ( 7.953 1.277 4.660) 9.306 8.243 ( 11.583 2.871 4.961) 12.924 8.470 ( 10.049 6.631 -6.703) 13.780 8.635 ( 2.661 4.188 4.124) 6.452 8.778 ( 8.253 3.141 1.073) 8.895 9.116 ( 3.027 5.991 -5.873) 8.919 9.601 ( -5.400 -2.980 4.939) 7.902 9.630 ( -6.011 -0.467 -0.841) 6.088 9.657 ( -4.823 -1.450 0.497) 5.061 10.078 ( -4.115 -1.687 0.235) 4.454 10.334 ( -10.005 4.698 5.490) 12.342 10.572 ( -6.582 -5.416 -5.579) 10.187 10.624 ( -7.057 -0.311 9.161) 11.568 10.828 ( -8.682 -6.108 -7.159) 12.803 10.842 ( -4.761 -4.081 3.046) 6.971 11.023 ( -11.763 -10.194 -6.901) 17.027 12.028 ( -6.529 -2.445 0.705) 7.007 12.136 ( -6.980 -1.907 -0.802) 7.280 12.596 ( -11.669 -3.699 -1.906) 12.389 12.919 ( 12.556 -0.034 -0.156) 12.557 13.008 ( 9.689 3.740 0.548) 10.400 13.276 ( 9.429 5.716 -1.319) 11.105 14.140 ( 4.801 0.038 -6.221) 7.858 14.501 ( -1.103 3.076 -0.984) 3.413 14.626 ( 3.454 2.504 8.600) 9.600 14.630 ( 9.635 1.087 -2.498) 10.013 15.291 ( 5.042 2.158 1.880) 5.798 15.427 ( 4.713 1.649 -5.553) 7.468 16.039 ( -5.727 -0.088 6.368) 8.565 16.425 ( -5.270 -3.821 -0.904) 6.572 16.891 ( -5.159 -2.148 0.037) 5.589 16.971 ( -4.800 -1.979 0.386) 5.206 20.781 ( -1.091 1.269 0.440) 1.730 20.852 ( -2.053 -0.114 1.345) 2.457 20.894 ( -3.322 -1.135 -0.825) 3.607 21.275 ( 8.623 1.879 -1.330) 8.925 26.837 ( 5.970 2.178 0.919) 6.421 27.096 ( 4.619 -2.001 -5.055) 7.134 27.328 ( -0.578 1.537 0.787) 1.821 27.336 ( -0.077 -0.095 -0.055) 0.134 27.362 ( -2.849 7.010 5.857) 9.569 27.767 ( 1.336 0.265 0.937) 1.653 28.687 ( -0.480 -1.409 0.068) 1.490 28.861 ( 0.707 -8.368 0.363) 8.406 29.053 ( -5.677 1.003 1.741) 6.022 29.136 ( -7.056 -0.128 -1.660) 7.250 29.292 ( -5.971 -1.165 0.054) 6.084 30.220 ( 11.002 1.728 0.093) 11.137 31.246 ( -3.072 -0.225 -3.354) 4.553 31.458 ( -1.073 -0.929 -0.501) 1.505 31.644 ( -1.460 -1.787 2.850) 3.668 31.860 ( -2.931 -3.269 -7.718) 8.879 32.099 ( -8.401 0.572 5.745) 10.193 33.573 ( 21.323 6.728 0.282) 22.361 ======================= Grid point 145 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -20.106 -20.199 5.521) 29.030 1.957 ( -18.796 -12.059 -6.965) 23.393 2.192 ( 3.305 -4.388 6.023) 8.152 2.239 ( -7.409 -5.319 -4.091) 9.997 2.774 ( -16.390 -13.081 -10.845) 23.609 2.963 ( 0.992 -1.307 -4.199) 4.508 3.207 ( -12.434 -19.686 4.947) 23.804 3.344 ( -1.372 5.174 -9.113) 10.569 3.448 ( 12.255 -7.349 -1.141) 14.336 3.695 ( -0.999 0.599 9.649) 9.719 3.857 ( 3.735 2.748 -0.656) 4.683 3.949 ( 10.698 10.440 7.203) 16.593 4.117 ( 5.873 -1.687 -0.660) 6.147 4.227 ( -1.434 11.763 11.157) 16.276 4.398 ( -8.284 8.776 -5.580) 13.296 4.565 ( 1.072 9.762 5.592) 11.301 4.827 ( 5.583 -0.134 2.447) 6.097 4.979 ( -0.794 7.807 -5.167) 9.396 5.084 ( 4.673 -0.019 -8.407) 9.619 5.337 ( 12.442 -1.228 8.880) 15.335 5.372 ( -1.303 -6.914 -3.010) 7.653 5.401 ( -4.586 -5.581 10.415) 12.675 5.552 ( -10.466 6.567 1.949) 12.508 5.654 ( -8.609 2.761 -5.451) 10.557 5.751 ( 3.631 -4.647 0.682) 5.937 5.921 ( -6.434 -3.229 -8.285) 10.976 6.050 ( 3.828 6.311 -0.635) 7.408 6.241 ( -2.196 4.484 -0.600) 5.029 6.301 ( -1.100 -3.485 -4.111) 5.501 6.509 ( 0.503 4.110 -4.253) 5.936 6.750 ( 16.585 2.611 -6.106) 17.865 6.948 ( 7.734 -0.694 0.384) 7.775 7.095 ( -2.474 4.547 -2.407) 5.709 7.234 ( 12.352 6.746 3.690) 14.549 7.412 ( -10.437 -6.798 -0.671) 12.474 7.551 ( 9.055 10.242 11.151) 17.642 8.164 ( 4.800 11.290 -3.079) 12.649 8.305 ( 9.088 4.314 4.622) 11.071 8.469 ( 13.800 4.132 -4.880) 15.209 8.601 ( 5.142 5.068 3.074) 7.847 8.744 ( 5.866 6.643 -2.577) 9.229 9.107 ( 1.263 -2.966 2.719) 4.217 9.583 ( -4.046 -3.921 -7.837) 9.652 9.651 ( -3.599 -2.046 3.317) 5.305 9.690 ( -1.571 -6.322 10.195) 12.098 10.017 ( -4.746 -0.363 -7.324) 8.735 10.286 ( -8.722 -1.575 16.797) 18.991 10.616 ( -5.593 -2.301 10.299) 11.943 10.654 ( -1.530 -10.405 -5.583) 11.907 10.833 ( -6.094 -4.929 -5.244) 9.430 10.872 ( -5.847 -4.935 -1.022) 7.720 11.020 ( -13.707 -10.001 -12.620) 21.146 12.005 ( -7.562 -2.758 1.746) 8.236 12.117 ( -6.061 -3.980 -1.356) 7.376 12.594 ( -7.978 -7.869 -0.704) 11.228 12.976 ( 8.294 6.075 -0.501) 10.293 13.020 ( 7.804 5.396 0.709) 9.514 13.277 ( 10.632 3.630 -5.134) 12.352 14.168 ( 5.573 0.060 -5.271) 7.671 14.424 ( -0.711 4.800 -0.391) 4.868 14.616 ( 3.476 4.429 5.813) 8.092 14.682 ( 5.404 1.988 -0.258) 5.764 15.290 ( 4.243 4.129 1.371) 6.076 15.409 ( 4.254 3.038 -6.395) 8.260 16.029 ( -5.015 -1.156 9.015) 10.380 16.455 ( -4.115 -5.754 -1.261) 7.186 16.896 ( -4.218 -3.804 0.216) 5.684 16.972 ( -4.067 -3.225 -0.045) 5.191 20.714 ( -1.982 3.557 -0.106) 4.074 20.857 ( -1.463 -1.701 1.255) 2.570 20.910 ( -1.880 -3.189 -0.635) 3.756 21.284 ( 6.457 4.891 -2.959) 8.624 26.852 ( 6.171 3.234 1.426) 7.112 27.109 ( -1.545 3.877 2.545) 4.889 27.227 ( -2.861 1.131 -2.883) 4.216 27.334 ( -0.000 0.121 -0.004) 0.121 27.339 ( -0.076 -0.151 0.169) 0.239 27.776 ( 5.826 2.427 -3.529) 7.231 28.709 ( -0.643 -1.354 -0.119) 1.503 28.947 ( -3.852 -0.615 -2.088) 4.424 29.009 ( -5.038 -1.289 1.824) 5.511 29.092 ( -3.755 -5.071 -0.087) 6.311 29.285 ( -4.724 -3.989 0.874) 6.244 30.241 ( 7.735 2.212 -19.776) 21.350 31.265 ( 0.190 0.743 20.739) 20.753 31.482 ( -0.339 -2.549 1.567) 3.011 31.679 ( -0.998 -2.696 2.698) 3.943 31.883 ( -3.260 -6.125 -7.486) 10.207 32.052 ( -5.540 -0.181 7.448) 9.285 33.588 ( 17.034 13.584 -0.903) 21.806 ======================= Grid point 153 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -31.976 -0.000 -2.752) 32.094 1.608 ( -42.028 -0.000 -20.107) 46.590 2.110 ( -9.216 -0.000 0.683) 9.241 2.206 ( 6.169 0.000 9.483) 11.313 2.403 ( -46.972 -0.000 26.843) 54.101 2.732 ( -5.123 -0.000 -5.145) 7.261 3.065 ( 18.892 0.000 6.255) 19.900 3.072 ( -11.026 -0.000 -8.061) 13.659 3.572 ( 17.120 0.000 -19.334) 25.824 3.716 ( 0.911 0.000 -1.387) 1.660 3.849 ( 11.292 0.000 -7.267) 13.429 4.163 ( 1.453 0.000 12.840) 12.922 4.240 ( -17.864 -0.000 10.436) 20.688 4.419 ( 1.380 0.000 5.903) 6.062 4.670 ( -5.959 -0.000 -5.684) 8.235 4.717 ( 11.200 0.000 7.491) 13.475 4.947 ( 0.185 0.000 2.587) 2.594 5.013 ( 7.351 0.000 0.103) 7.352 5.109 ( 18.272 0.000 0.532) 18.280 5.203 ( 1.002 0.000 -1.959) 2.200 5.304 ( 2.601 0.000 2.892) 3.890 5.355 ( 4.414 0.000 3.902) 5.891 5.542 ( -2.515 -0.000 1.473) 2.914 5.615 ( 2.042 0.000 -8.473) 8.716 5.742 ( -4.335 -0.000 -4.129) 5.987 6.008 ( -1.415 -0.000 6.905) 7.049 6.089 ( -4.595 -0.000 -2.843) 5.403 6.116 ( 5.589 0.000 -1.657) 5.830 6.626 ( -7.966 -0.000 -17.201) 18.956 6.717 ( -10.254 -0.000 2.886) 10.653 6.747 ( 0.321 0.000 7.684) 7.691 6.840 ( 3.489 0.000 -31.085) 31.280 6.883 ( 8.414 0.000 -0.650) 8.439 7.239 ( -5.437 -0.000 1.526) 5.648 7.449 ( 20.292 0.000 14.406) 24.886 7.712 ( 24.971 0.000 7.932) 26.200 8.307 ( 9.763 0.000 6.108) 11.516 8.388 ( 10.540 0.000 5.171) 11.740 8.624 ( 13.802 0.000 -8.811) 16.375 8.701 ( 2.022 0.000 4.103) 4.575 8.873 ( 5.075 0.000 3.677) 6.267 9.206 ( 6.697 0.000 -9.115) 11.311 9.517 ( -5.675 -0.000 -3.791) 6.825 9.591 ( -4.611 -0.000 0.144) 4.613 9.596 ( -7.798 -0.000 11.891) 14.220 10.050 ( -0.546 -0.000 2.709) 2.764 10.343 ( -8.291 -0.000 -2.378) 8.626 10.438 ( -8.117 -0.000 -1.145) 8.198 10.498 ( -17.942 -0.000 -13.871) 22.679 10.563 ( -10.495 -0.000 7.585) 12.949 10.801 ( -3.852 -0.000 5.822) 6.981 10.856 ( -8.869 -0.000 -1.692) 9.029 11.961 ( -4.662 -0.000 0.334) 4.674 12.055 ( -6.443 -0.000 -0.397) 6.455 12.403 ( -17.768 -0.000 -1.752) 17.854 13.030 ( 11.750 0.000 -0.818) 11.779 13.136 ( 9.563 0.000 0.659) 9.586 13.389 ( 6.353 0.000 -5.517) 8.414 14.173 ( 6.918 0.000 -7.045) 9.873 14.515 ( -1.092 -0.000 1.009) 1.487 14.705 ( 6.570 0.000 -1.092) 6.660 14.720 ( 4.529 0.000 5.744) 7.315 15.376 ( 6.546 0.000 1.964) 6.834 15.466 ( 5.047 0.000 -5.920) 7.779 16.013 ( -4.350 -0.000 6.690) 7.980 16.332 ( -6.743 -0.000 0.488) 6.761 16.832 ( -3.684 -0.000 0.110) 3.685 16.909 ( -4.753 -0.000 0.153) 4.756 20.785 ( -1.223 -0.000 0.738) 1.428 20.835 ( -2.459 -0.000 0.923) 2.627 20.847 ( -3.441 -0.000 -0.383) 3.462 21.357 ( 7.685 0.000 -5.938) 9.711 26.924 ( 7.048 0.000 0.445) 7.062 27.103 ( 5.030 0.000 -4.687) 6.875 27.333 ( -0.017 -0.000 -0.084) 0.086 27.335 ( -0.030 -0.000 0.073) 0.079 27.464 ( -1.477 -0.000 6.053) 6.231 27.734 ( -2.397 -0.000 -3.179) 3.981 28.701 ( 1.058 0.000 -0.320) 1.105 28.765 ( 0.166 0.000 -0.110) 0.199 29.038 ( -3.875 -0.000 0.670) 3.932 29.060 ( -6.638 -0.000 0.974) 6.709 29.204 ( -8.572 -0.000 -1.748) 8.749 30.244 ( 2.010 0.000 -36.092) 36.148 31.293 ( 3.978 0.000 37.551) 37.761 31.441 ( -0.322 -0.000 -0.260) 0.413 31.626 ( -1.779 -0.000 4.251) 4.608 31.786 ( -1.914 -0.000 -6.125) 6.417 32.055 ( -6.099 -0.000 7.126) 9.379 33.830 ( 20.095 0.000 -0.216) 20.096 ======================= Grid point 154 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -24.398 -14.750 13.787) 31.669 1.348 ( -36.628 -21.819 -10.460) 43.899 2.058 ( -9.999 -5.406 7.823) 13.798 2.211 ( -31.660 -13.997 12.706) 36.874 2.336 ( 9.168 0.469 7.950) 12.144 2.773 ( -13.587 -15.706 0.519) 20.774 2.979 ( -0.682 -0.214 -1.659) 1.806 3.322 ( 11.937 -7.381 -1.570) 14.123 3.588 ( 15.812 6.663 -22.102) 27.981 3.733 ( 1.467 0.631 3.879) 4.195 3.946 ( 11.932 0.588 -3.748) 12.521 4.053 ( -14.521 -0.921 9.360) 17.300 4.208 ( 4.484 5.890 10.365) 12.737 4.360 ( -9.269 2.295 -6.224) 11.398 4.478 ( -3.385 12.215 -3.865) 13.251 4.801 ( 8.671 7.470 4.922) 12.458 4.853 ( -1.634 4.504 -0.250) 4.798 5.074 ( 2.777 4.491 -6.015) 8.004 5.154 ( -0.333 2.588 -2.719) 3.768 5.244 ( 2.441 -2.613 0.417) 3.600 5.369 ( 0.370 -0.781 3.281) 3.393 5.438 ( 10.226 -3.684 10.636) 15.207 5.574 ( 0.766 0.969 -2.962) 3.209 5.634 ( -4.489 -5.184 -2.988) 7.480 5.713 ( 0.194 8.219 1.243) 8.314 5.855 ( -0.453 3.778 -5.890) 7.012 6.117 ( 2.109 -0.513 -8.183) 8.466 6.207 ( 1.043 -5.098 1.392) 5.386 6.349 ( -3.794 10.444 -4.954) 12.166 6.545 ( -8.141 6.180 -2.019) 10.419 6.750 ( -2.133 -3.451 -21.357) 21.739 6.966 ( 10.255 -13.093 -2.314) 16.791 7.008 ( -2.261 -8.060 -1.584) 8.519 7.201 ( -6.115 -0.525 -1.172) 6.248 7.630 ( 22.610 10.175 20.770) 32.345 7.941 ( 20.817 11.251 15.219) 28.135 8.364 ( 6.056 6.355 3.391) 9.411 8.483 ( 7.975 3.492 6.441) 10.830 8.663 ( 16.114 6.045 -5.645) 18.112 8.728 ( 5.730 2.460 1.011) 6.317 8.909 ( 5.742 3.714 0.532) 6.859 9.129 ( 1.270 7.610 -3.601) 8.514 9.461 ( -4.598 -2.065 -7.082) 8.693 9.583 ( -3.522 -3.625 1.551) 5.287 9.613 ( -3.665 -4.332 13.222) 14.388 9.966 ( -6.423 4.842 -8.691) 11.842 10.219 ( -7.103 -3.710 12.545) 14.886 10.451 ( -3.146 -7.801 -1.296) 8.511 10.504 ( -15.998 -11.584 -4.864) 20.342 10.537 ( -6.857 -7.557 -2.115) 10.421 10.773 ( -8.094 -1.381 -1.970) 8.444 10.805 ( -5.141 -2.611 3.225) 6.606 11.919 ( -5.681 -0.421 1.105) 5.803 12.011 ( -5.418 -1.851 -0.799) 5.781 12.316 ( -15.272 -10.126 -0.952) 18.349 13.129 ( 9.366 1.295 -0.651) 9.477 13.181 ( 7.344 4.418 -0.222) 8.573 13.366 ( 3.243 1.974 -14.111) 14.613 14.212 ( 7.202 0.332 -7.385) 10.321 14.490 ( 0.068 3.307 2.202) 3.973 14.740 ( 3.424 0.555 -3.231) 4.741 14.746 ( 3.137 4.061 7.547) 9.127 15.412 ( 5.657 3.684 1.562) 6.930 15.474 ( 4.888 2.317 -5.545) 7.747 16.012 ( -2.381 -0.092 9.060) 9.368 16.313 ( -5.993 -4.971 0.475) 7.801 16.818 ( -2.499 -1.690 0.216) 3.025 16.885 ( -3.996 -2.262 -0.436) 4.612 20.745 ( -2.023 2.468 -0.089) 3.192 20.820 ( -2.163 -1.146 0.965) 2.631 20.845 ( -2.057 -2.184 -0.014) 3.000 21.368 ( 3.783 1.203 -11.454) 12.122 26.969 ( 7.130 2.303 0.098) 7.493 27.142 ( 2.968 -0.185 -3.026) 4.242 27.274 ( -8.334 11.529 2.064) 14.375 27.335 ( -0.055 -0.024 -0.031) 0.067 27.340 ( -0.604 0.761 0.576) 1.129 27.791 ( 3.520 -5.130 -9.526) 11.378 28.687 ( 0.879 -0.446 -0.480) 1.096 28.863 ( -0.670 -6.509 -0.362) 6.553 28.966 ( -4.579 1.436 1.470) 5.019 29.014 ( -4.572 0.618 -1.440) 4.833 29.153 ( -7.841 -4.603 -0.210) 9.094 30.063 ( -10.125 -8.207 -55.994) 57.491 31.451 ( -0.153 -1.356 1.023) 1.705 31.520 ( 11.139 5.058 40.232) 42.051 31.660 ( 2.078 0.498 18.863) 18.983 31.773 ( -1.058 -2.308 -4.236) 4.938 32.061 ( 0.811 1.649 20.099) 20.183 33.930 ( 15.981 8.732 -0.810) 18.229 ======================= Grid point 163 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -27.926 -0.000 16.637) 32.506 0.868 ( -22.867 -0.000 25.960) 34.595 1.692 ( -48.120 -0.000 48.553) 68.359 2.088 ( -5.161 -0.000 6.326) 8.164 2.406 ( 1.688 0.000 8.031) 8.206 2.543 ( -4.506 -0.000 -4.942) 6.688 2.951 ( 4.401 0.000 -3.012) 5.333 3.363 ( 7.830 0.000 -1.637) 7.999 3.712 ( 12.961 0.000 -27.722) 30.602 3.746 ( 5.429 0.000 -15.113) 16.058 3.882 ( -22.129 -0.000 14.662) 26.546 4.098 ( 13.406 0.000 6.538) 14.915 4.221 ( -11.158 -0.000 -10.980) 15.654 4.326 ( 3.399 0.000 10.844) 11.364 4.563 ( -0.065 -0.000 -2.377) 2.378 4.829 ( -4.797 -0.000 1.866) 5.147 4.969 ( -5.710 -0.000 -14.000) 15.119 5.055 ( -4.537 -0.000 -4.939) 6.707 5.152 ( 6.831 0.000 -1.043) 6.910 5.331 ( 1.675 0.000 -2.424) 2.946 5.390 ( -2.482 -0.000 -5.113) 5.683 5.421 ( -2.318 -0.000 1.568) 2.798 5.537 ( 4.240 0.000 8.098) 9.141 5.692 ( 17.302 0.000 -11.861) 20.977 5.730 ( -3.699 -0.000 -6.279) 7.287 5.957 ( -2.155 -0.000 -18.134) 18.262 6.105 ( -0.896 -0.000 3.476) 3.590 6.180 ( 2.572 0.000 -0.966) 2.747 6.363 ( -5.117 -0.000 -21.187) 21.796 6.527 ( -6.400 -0.000 1.301) 6.531 6.647 ( -13.831 -0.000 5.415) 14.853 6.656 ( 3.330 0.000 2.674) 4.270 6.953 ( -0.700 -0.000 -1.605) 1.751 7.191 ( 1.094 0.000 -2.312) 2.558 8.114 ( 33.902 0.000 30.525) 45.619 8.337 ( 25.651 0.000 20.679) 32.948 8.508 ( 6.797 0.000 8.099) 10.573 8.577 ( 3.765 0.000 7.207) 8.131 8.799 ( 5.456 0.000 2.730) 6.101 8.951 ( 30.226 0.000 -0.152) 30.226 8.953 ( 1.739 0.000 3.435) 3.850 9.280 ( 4.879 0.000 -5.192) 7.124 9.395 ( 0.865 0.000 -7.628) 7.677 9.481 ( -6.627 -0.000 -0.523) 6.648 9.611 ( -2.596 -0.000 18.290) 18.473 9.972 ( -8.278 -0.000 -14.004) 16.268 10.067 ( -17.199 -0.000 -5.796) 18.149 10.198 ( -4.629 -0.000 6.629) 8.085 10.377 ( 0.992 0.000 3.785) 3.913 10.424 ( -7.890 -0.000 3.920) 8.811 10.674 ( -7.465 -0.000 -2.813) 7.977 10.763 ( -4.308 -0.000 5.026) 6.619 11.885 ( -3.419 -0.000 -0.576) 3.467 11.952 ( -4.009 -0.000 -0.355) 4.024 12.067 ( -14.326 -0.000 -0.136) 14.326 13.070 ( -18.451 -0.000 -31.643) 36.629 13.287 ( 5.488 0.000 0.360) 5.500 13.302 ( -1.135 -0.000 -8.664) 8.738 14.250 ( 6.194 0.000 -8.484) 10.505 14.544 ( 1.709 0.000 6.869) 7.079 14.738 ( -0.297 -0.000 -6.176) 6.183 14.843 ( 3.131 0.000 6.366) 7.094 15.501 ( 4.516 0.000 1.369) 4.719 15.532 ( 5.670 0.000 -2.464) 6.182 16.064 ( 4.989 0.000 10.260) 11.409 16.212 ( -6.154 -0.000 1.405) 6.313 16.792 ( -0.873 -0.000 0.215) 0.899 16.829 ( -3.108 -0.000 -0.930) 3.244 20.753 ( -1.237 -0.000 -0.200) 1.253 20.796 ( -1.967 -0.000 0.387) 2.005 20.800 ( -2.292 -0.000 0.482) 2.342 21.253 ( -13.509 -0.000 -26.918) 30.118 27.042 ( 5.092 0.000 -1.483) 5.303 27.168 ( 4.367 0.000 -2.166) 4.875 27.331 ( -0.206 -0.000 -0.433) 0.479 27.335 ( 0.020 0.000 -0.031) 0.037 27.459 ( -2.528 -0.000 2.665) 3.673 27.518 ( -16.167 -0.000 -26.517) 31.057 28.710 ( 0.627 0.000 -1.714) 1.825 28.780 ( 1.898 0.000 0.258) 1.915 28.963 ( -6.091 -0.000 1.133) 6.195 28.978 ( -2.537 -0.000 -0.113) 2.540 29.030 ( -5.977 -0.000 -2.080) 6.329 29.463 ( -38.946 -0.000 -50.241) 63.569 31.443 ( -0.100 -0.000 0.707) 0.714 31.579 ( -0.975 -0.000 -0.463) 1.079 31.739 ( 0.623 0.000 -2.680) 2.752 31.857 ( 0.289 0.000 8.595) 8.600 32.665 ( 65.862 0.000 94.229) 114.965 34.138 ( 11.998 0.000 -0.417) 12.006 ======================= Grid point 164 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -7.902 -0.000 39.088) 39.879 1.842 ( -1.573 -0.000 37.335) 37.368 2.187 ( 4.732 0.000 2.202) 5.219 2.203 ( -4.690 -0.000 4.045) 6.193 2.620 ( 15.235 0.000 -20.167) 25.275 2.711 ( -16.990 -0.000 -25.715) 30.821 3.066 ( 11.045 0.000 53.180) 54.315 3.161 ( 0.455 0.000 -12.477) 12.485 3.234 ( 0.730 0.000 -3.823) 3.892 3.400 ( 14.443 0.000 18.219) 23.249 3.769 ( -8.936 -0.000 -10.029) 13.433 4.055 ( -5.445 -0.000 16.763) 17.625 4.350 ( -9.745 -0.000 -11.864) 15.353 4.416 ( -2.272 -0.000 -52.924) 52.973 4.516 ( -0.149 -0.000 2.188) 2.193 4.583 ( 3.756 0.000 0.234) 3.763 4.770 ( -8.892 -0.000 1.533) 9.024 4.802 ( 6.080 0.000 -0.969) 6.157 5.049 ( -3.925 -0.000 -5.127) 6.457 5.053 ( 10.212 0.000 4.419) 11.127 5.177 ( 1.420 0.000 -0.746) 1.604 5.264 ( -6.691 -0.000 -5.050) 8.383 5.313 ( 4.009 0.000 -1.118) 4.162 5.368 ( -1.135 -0.000 -4.769) 4.902 5.746 ( 0.122 0.000 2.898) 2.901 5.826 ( 1.327 0.000 -5.691) 5.843 6.223 ( -10.662 -0.000 2.814) 11.027 6.223 ( 4.958 0.000 -0.434) 4.977 6.318 ( 10.345 0.000 1.682) 10.481 6.405 ( -11.390 -0.000 -1.998) 11.564 6.783 ( 10.174 0.000 6.248) 11.939 6.859 ( -3.850 -0.000 -2.678) 4.690 6.999 ( 8.985 0.000 4.971) 10.268 7.102 ( -4.554 -0.000 -3.885) 5.986 8.613 ( 6.155 0.000 9.164) 11.039 8.734 ( -4.160 -0.000 3.930) 5.722 8.804 ( 6.727 0.000 -2.247) 7.092 8.815 ( -4.993 -0.000 -7.148) 8.719 9.049 ( -10.093 -0.000 6.217) 11.854 9.146 ( 2.227 0.000 -2.307) 3.207 9.253 ( 2.544 0.000 -5.349) 5.923 9.276 ( 1.952 0.000 -8.393) 8.617 9.420 ( -7.659 -0.000 26.802) 27.875 9.539 ( -6.517 -0.000 6.136) 8.951 9.577 ( -1.951 -0.000 -2.917) 3.509 9.996 ( 23.049 0.000 -20.612) 30.921 10.138 ( -6.504 -0.000 11.510) 13.221 10.301 ( 13.982 0.000 -1.494) 14.061 10.429 ( -3.485 -0.000 3.293) 4.795 10.498 ( 3.556 0.000 -3.319) 4.864 10.515 ( -2.184 -0.000 0.139) 2.188 10.567 ( -10.353 -0.000 -4.521) 11.297 11.797 ( -6.856 -0.000 1.166) 6.955 11.817 ( 3.837 0.000 -0.981) 3.960 11.930 ( -1.680 -0.000 1.214) 2.073 11.954 ( 1.443 0.000 -0.656) 1.585 13.342 ( 0.333 0.000 0.443) 0.555 13.342 ( -0.440 -0.000 0.306) 0.536 14.255 ( 5.721 0.000 3.234) 6.572 14.394 ( -7.500 -0.000 -9.515) 12.115 14.831 ( 3.984 0.000 6.232) 7.396 14.913 ( -2.602 -0.000 -1.813) 3.171 15.560 ( -1.857 -0.000 1.137) 2.178 15.585 ( 1.657 0.000 -1.094) 1.985 16.170 ( -2.758 -0.000 1.543) 3.160 16.200 ( 2.567 0.000 -1.267) 2.863 16.793 ( -0.296 -0.000 0.315) 0.433 16.799 ( 0.358 0.000 -0.262) 0.444 20.753 ( -0.156 -0.000 0.236) 0.283 20.758 ( 1.610 0.000 -0.012) 1.610 20.762 ( -1.498 -0.000 0.092) 1.501 20.768 ( -0.140 -0.000 -0.312) 0.342 26.954 ( -3.406 -0.000 2.114) 4.009 27.011 ( 1.047 0.000 -3.267) 3.430 27.307 ( 6.038 0.000 2.946) 6.718 27.333 ( -0.159 -0.000 -0.165) 0.229 27.336 ( 0.552 0.000 0.255) 0.608 27.371 ( -6.230 -0.000 -2.383) 6.670 28.761 ( 4.450 0.000 0.875) 4.535 28.779 ( -4.445 -0.000 -0.948) 4.545 28.884 ( -2.805 -0.000 0.662) 2.882 28.889 ( 2.422 0.000 0.124) 2.425 28.982 ( -2.746 -0.000 1.090) 2.954 28.998 ( 3.589 0.000 -0.392) 3.610 31.462 ( -0.003 -0.000 1.472) 1.472 31.501 ( -0.655 -0.000 -2.347) 2.437 31.796 ( 5.027 0.000 1.332) 5.200 31.822 ( -4.337 -0.000 -1.099) 4.474 34.227 ( 3.375 0.000 0.506) 3.413 34.238 ( -1.604 -0.000 -0.561) 1.699 ======================= Grid point 165 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -6.907 5.176 25.252) 26.686 2.017 ( 7.856 8.959 19.079) 22.494 2.073 ( -9.075 -6.256 12.134) 16.393 2.418 ( -3.274 3.729 -15.871) 16.628 2.485 ( -0.881 -14.062 -0.105) 14.090 2.799 ( 12.800 -8.622 -19.670) 25.002 3.117 ( 1.193 1.758 -3.426) 4.031 3.173 ( 1.951 5.422 -15.008) 16.076 3.457 ( 11.096 -0.268 27.677) 29.819 3.519 ( -6.139 1.477 -5.286) 8.235 3.768 ( 6.380 -16.446 33.005) 37.423 4.077 ( 2.531 1.687 10.741) 11.164 4.224 ( -3.591 1.891 -9.206) 10.061 4.320 ( 6.963 -4.378 -31.454) 32.511 4.498 ( -7.133 9.755 -3.422) 12.560 4.579 ( -5.630 1.630 -2.741) 6.471 4.651 ( 13.291 -1.287 -1.249) 13.412 4.758 ( 3.328 6.782 -0.114) 7.556 5.080 ( -7.647 4.175 -9.099) 12.598 5.111 ( -3.085 -1.204 -1.437) 3.610 5.216 ( 2.624 -3.504 4.949) 6.608 5.226 ( 0.380 -10.463 3.956) 11.192 5.370 ( -0.441 -3.527 -2.104) 4.131 5.396 ( 0.643 -4.745 -2.268) 5.298 5.805 ( 0.841 -1.818 0.615) 2.096 5.880 ( 4.798 -6.192 -4.105) 8.843 6.091 ( -7.960 4.099 0.701) 8.981 6.163 ( -0.644 6.087 3.346) 6.976 6.290 ( -10.749 -4.717 1.716) 11.863 6.582 ( 8.968 -12.450 -1.988) 15.472 6.796 ( -0.399 4.684 -5.615) 7.323 6.901 ( 10.888 3.320 6.734) 13.226 7.002 ( -3.472 3.309 -4.074) 6.292 7.060 ( 4.594 1.338 -2.314) 5.315 8.573 ( -11.404 7.807 -0.758) 13.841 8.664 ( -1.644 8.201 1.714) 8.538 8.690 ( -2.242 6.146 6.293) 9.077 8.726 ( -2.528 10.339 -1.315) 10.724 8.879 ( -19.047 25.340 9.874) 33.202 8.976 ( -18.739 11.007 2.785) 21.911 9.138 ( -7.593 14.488 -0.912) 16.382 9.233 ( 0.551 4.270 -3.985) 5.866 9.276 ( -4.656 -2.853 0.500) 5.484 9.431 ( -1.060 13.900 -3.584) 14.394 9.633 ( 3.668 -7.532 5.563) 10.056 9.712 ( 2.468 -7.374 -7.047) 10.494 10.170 ( 2.093 0.559 8.533) 8.804 10.336 ( 8.429 -0.132 -5.771) 10.216 10.561 ( -0.512 -4.491 -4.596) 6.446 10.575 ( 0.590 -7.237 -0.985) 7.327 10.615 ( 7.774 -7.057 6.625) 12.415 10.722 ( 6.201 -9.818 -0.407) 11.619 11.827 ( 0.124 -3.860 1.440) 4.122 11.946 ( 6.895 -0.416 -0.790) 6.952 12.204 ( 11.701 -24.098 1.544) 26.833 12.257 ( 12.277 -24.591 -6.852) 28.327 13.279 ( -3.706 5.285 -0.069) 6.455 13.290 ( -2.333 4.981 0.457) 5.519 14.265 ( -6.056 1.797 -4.340) 7.664 14.339 ( 3.527 -1.396 0.935) 3.907 14.836 ( -2.088 4.034 0.172) 4.546 14.855 ( -0.047 3.600 2.179) 4.208 15.489 ( -4.740 5.011 0.838) 6.949 15.535 ( -1.217 5.316 -0.849) 5.520 16.200 ( -0.687 -4.209 0.032) 4.265 16.237 ( 2.768 -2.269 1.225) 3.782 16.798 ( 0.136 -1.061 0.402) 1.143 16.810 ( 0.693 -1.400 -0.352) 1.601 20.754 ( -0.534 -0.504 -0.229) 0.769 20.770 ( 0.751 -1.115 0.753) 1.541 20.820 ( 2.437 -3.852 0.657) 4.605 20.845 ( 4.852 -5.408 -3.245) 7.957 26.939 ( -1.614 0.496 2.722) 3.203 27.002 ( 0.103 0.481 -1.318) 1.407 27.297 ( -5.265 0.100 -5.256) 7.440 27.326 ( 1.173 0.940 0.830) 1.717 27.337 ( -0.551 -0.313 -0.274) 0.691 27.370 ( 5.388 1.362 2.581) 6.128 28.752 ( -2.375 -1.620 -1.301) 3.156 28.800 ( 0.139 -1.594 0.913) 1.842 28.908 ( 1.268 -2.351 0.595) 2.737 28.948 ( 3.217 -2.373 0.299) 4.008 29.063 ( 2.366 -10.526 -0.377) 10.795 29.122 ( 8.010 -7.414 -0.791) 10.943 31.456 ( -0.955 1.184 1.767) 2.331 31.507 ( 1.736 -1.236 -1.854) 2.825 31.791 ( -4.118 -1.605 -1.498) 4.667 31.871 ( 5.648 -2.386 1.112) 6.231 33.975 ( -10.854 23.200 9.625) 27.363 34.033 ( -11.072 15.952 -5.913) 20.298 ======================= Grid point 166 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 5.228 -8.567 4.557) 11.022 1.955 ( 0.590 3.354 -5.149) 6.173 2.065 ( -3.481 -2.353 0.436) 4.224 2.494 ( 2.757 -7.389 0.129) 7.888 2.627 ( 1.818 -0.333 12.152) 12.292 2.848 ( 1.852 4.532 -19.665) 20.265 3.006 ( 9.769 3.423 -8.358) 13.304 3.235 ( 1.696 -10.213 4.485) 11.283 3.404 ( -3.559 -1.587 -4.968) 6.314 3.605 ( 0.802 2.490 16.638) 16.842 4.032 ( 4.245 3.580 -2.722) 6.184 4.151 ( -0.229 2.803 -8.253) 8.719 4.210 ( -8.549 7.137 6.145) 12.720 4.264 ( 0.932 6.588 2.130) 6.987 4.403 ( 10.963 -4.906 24.204) 27.020 4.550 ( 4.725 -11.893 -14.677) 19.473 4.707 ( 2.210 2.900 0.591) 3.694 4.834 ( 5.771 -2.268 -12.741) 14.170 4.925 ( 5.556 0.134 -0.027) 5.558 5.080 ( -3.850 -1.106 -0.725) 4.071 5.285 ( -3.694 -2.531 2.893) 5.331 5.366 ( -4.507 -5.418 1.160) 7.142 5.449 ( 0.749 -2.693 -2.603) 3.820 5.519 ( 0.829 -8.904 10.128) 13.511 5.775 ( -5.934 0.273 4.488) 7.445 5.959 ( 0.388 -2.794 -4.325) 5.163 6.023 ( -3.440 -1.994 -3.635) 5.388 6.167 ( -0.243 -5.589 0.669) 5.634 6.316 ( -2.916 -5.241 0.094) 5.998 6.617 ( -2.800 9.703 -8.345) 13.100 6.817 ( 7.136 9.085 4.007) 12.228 6.884 ( 9.304 -4.203 -7.436) 12.630 6.942 ( -1.034 1.822 1.730) 2.717 7.116 ( 4.460 -3.679 -0.996) 5.866 8.094 ( -20.332 33.575 -0.076) 39.251 8.146 ( -18.297 32.448 8.055) 38.112 8.296 ( -13.383 12.097 -5.367) 18.822 8.505 ( -8.262 10.561 0.399) 13.415 8.614 ( -2.201 7.938 2.415) 8.585 8.727 ( 1.598 5.193 1.852) 5.740 8.907 ( -9.393 5.245 -2.477) 11.040 9.227 ( -2.186 -3.252 1.340) 4.141 9.389 ( 2.541 -5.938 7.708) 10.057 9.426 ( 3.321 -5.597 -5.568) 8.565 9.796 ( 1.726 -5.627 0.129) 5.887 9.873 ( 4.058 -7.529 3.614) 9.285 10.226 ( -0.137 -3.585 7.918) 8.693 10.486 ( 11.223 -7.730 -6.482) 15.090 10.605 ( 0.122 -2.909 1.337) 3.204 10.687 ( -2.066 -8.932 -6.410) 11.186 10.839 ( 11.698 -5.346 -1.343) 12.932 10.892 ( 6.225 -5.771 0.284) 8.493 11.923 ( 1.624 -5.850 1.714) 6.309 12.027 ( 5.374 -3.356 -1.502) 6.512 12.640 ( 6.118 -15.369 -7.004) 17.964 12.690 ( 10.131 -14.185 4.844) 18.092 13.125 ( -4.978 7.028 -0.543) 8.630 13.151 ( -3.765 8.135 0.317) 8.970 14.170 ( -5.547 0.506 -4.004) 6.860 14.397 ( 3.634 -0.592 0.128) 3.684 14.740 ( -2.887 4.153 0.538) 5.086 14.756 ( -2.561 8.051 2.832) 8.910 15.343 ( -5.102 6.307 0.462) 8.125 15.409 ( -1.950 6.915 -1.178) 7.281 16.257 ( -1.098 -3.231 2.674) 4.336 16.342 ( 4.126 -5.345 -0.816) 6.802 16.848 ( 1.693 -3.804 0.664) 4.216 16.870 ( 2.285 -4.397 -0.451) 4.976 20.752 ( -0.943 0.266 -0.066) 0.982 20.807 ( 1.407 -1.674 1.470) 2.635 20.908 ( 1.628 -3.481 -2.047) 4.354 20.953 ( 4.431 -3.349 -0.532) 5.580 26.915 ( -1.752 1.950 3.145) 4.094 27.003 ( 0.313 -0.345 2.927) 2.964 27.221 ( -4.367 0.281 -8.440) 9.507 27.326 ( 0.772 0.411 0.619) 1.071 27.338 ( -0.183 -0.165 -0.117) 0.273 27.404 ( 5.625 1.592 1.892) 6.145 28.766 ( 0.188 -1.281 -1.658) 2.104 28.818 ( -2.012 -1.612 0.281) 2.593 28.962 ( 3.102 -1.718 0.065) 3.547 29.058 ( 1.304 -7.811 1.593) 8.077 29.298 ( 4.659 -12.204 0.462) 13.071 29.329 ( 8.121 -8.082 -2.053) 11.640 31.431 ( -1.493 1.265 3.512) 4.020 31.548 ( 3.939 -0.930 -1.699) 4.389 31.783 ( -4.311 -2.800 -1.317) 5.306 31.987 ( 6.156 -4.803 -0.373) 7.818 33.486 ( -13.696 26.406 18.251) 34.899 33.529 ( -14.974 23.041 -15.839) 31.718 ======================= Grid point 167 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 1.007 0.709 -3.544) 3.752 2.080 ( 3.235 -2.211 -8.213) 9.100 2.127 ( 5.241 -18.835 -0.725) 19.564 2.528 ( -3.688 -6.043 2.889) 7.646 2.647 ( 6.381 1.474 -17.824) 18.989 2.903 ( 17.959 -0.442 19.335) 26.393 3.101 ( 9.674 -1.746 -1.513) 9.946 3.364 ( -1.392 -4.948 -12.559) 13.571 3.445 ( -4.907 -7.304 6.979) 11.231 3.645 ( 1.340 -0.109 17.467) 17.518 3.868 ( -7.899 10.143 -6.823) 14.554 4.003 ( 2.934 6.312 1.192) 7.062 4.026 ( -4.395 13.397 2.196) 14.269 4.158 ( 0.666 4.448 0.540) 4.530 4.520 ( -1.266 0.867 -6.220) 6.406 4.684 ( 1.696 1.601 0.469) 2.379 4.752 ( 1.902 -6.485 -5.446) 8.679 4.906 ( 2.056 -0.796 -2.828) 3.586 5.013 ( 0.783 -1.741 -8.859) 9.062 5.148 ( 3.743 -2.148 7.859) 8.965 5.273 ( -5.625 -1.992 4.052) 7.212 5.374 ( 4.459 -1.501 -2.222) 5.203 5.443 ( -6.958 -4.456 5.053) 9.685 5.650 ( -0.500 -5.027 6.636) 8.340 5.877 ( -1.055 -7.823 9.346) 12.234 5.947 ( -6.211 -0.343 -6.494) 8.993 6.083 ( 0.808 -9.172 -3.215) 9.753 6.221 ( -2.145 -2.885 -1.863) 4.049 6.393 ( 0.307 -5.218 -1.670) 5.487 6.419 ( 6.465 12.667 -4.839) 15.022 6.648 ( 3.688 10.067 1.279) 10.798 6.860 ( -4.276 7.096 3.314) 8.923 7.055 ( 6.186 -2.200 -4.580) 8.005 7.201 ( 1.164 -1.297 5.599) 5.864 7.493 ( -15.282 14.389 -2.992) 21.203 7.635 ( -2.890 18.580 2.001) 18.909 7.984 ( -10.880 9.512 -6.437) 15.821 8.261 ( -8.661 8.248 0.026) 11.960 8.445 ( -3.505 9.340 1.415) 10.076 8.696 ( 2.939 3.366 1.717) 4.787 8.734 ( -6.206 4.865 -2.139) 8.171 9.283 ( -2.262 -4.061 4.821) 6.697 9.520 ( 0.868 -6.018 3.326) 6.931 9.565 ( 4.691 -5.670 -0.038) 7.359 9.852 ( 0.368 -2.695 -4.992) 5.685 10.064 ( 5.537 -5.492 14.506) 16.469 10.324 ( -3.121 -5.574 9.501) 11.449 10.650 ( 7.084 -1.739 -1.700) 7.490 10.715 ( 3.943 -8.792 -2.850) 10.048 10.769 ( -4.202 -7.622 -8.051) 11.856 10.941 ( 7.303 -0.069 -6.024) 9.467 11.065 ( 8.035 -5.182 -4.265) 10.469 12.045 ( 1.915 -5.721 1.761) 6.285 12.147 ( 5.793 -5.540 -2.324) 8.346 12.746 ( -2.177 2.010 -1.569) 3.353 12.843 ( -1.717 2.852 0.226) 3.337 13.013 ( -0.304 2.955 -1.144) 3.184 13.043 ( -0.394 -0.791 2.017) 2.203 14.122 ( -2.850 -1.014 -2.064) 3.662 14.423 ( 1.882 0.158 -2.462) 3.103 14.592 ( -2.806 9.048 3.351) 10.049 14.655 ( -3.350 3.428 1.621) 5.059 15.224 ( -2.736 3.437 0.548) 4.427 15.291 ( -0.936 4.726 -2.010) 5.220 16.301 ( -2.666 -2.183 5.722) 6.679 16.453 ( 4.330 -3.942 -3.473) 6.809 16.945 ( 2.418 -4.736 0.550) 5.346 16.977 ( 2.846 -5.111 -0.211) 5.854 20.718 ( -2.044 2.025 0.029) 2.878 20.859 ( 1.499 -2.266 1.363) 3.039 20.943 ( 1.467 -0.891 -3.583) 3.973 21.029 ( 2.064 -1.517 2.384) 3.499 26.876 ( -1.178 2.528 4.758) 5.515 27.036 ( 0.028 -1.278 5.409) 5.558 27.152 ( -3.099 -0.195 -8.901) 9.427 27.332 ( 0.402 -0.131 0.191) 0.464 27.338 ( -0.101 -0.007 0.032) 0.106 27.442 ( 5.697 0.643 -0.441) 5.750 28.771 ( 1.011 0.740 -0.921) 1.555 28.823 ( -3.231 -2.184 -0.875) 3.997 29.030 ( 4.155 -2.158 -0.237) 4.688 29.203 ( -0.225 -7.628 1.704) 7.819 29.482 ( 3.803 -3.459 5.302) 7.385 29.530 ( 5.563 -10.418 -5.910) 13.207 31.425 ( -0.926 0.222 7.680) 7.738 31.590 ( 4.694 0.236 -1.336) 4.886 31.786 ( -4.161 -2.784 -0.907) 5.088 32.125 ( 5.089 -5.325 -4.288) 8.523 32.971 ( -11.757 18.634 -17.948) 28.418 33.042 ( -11.650 21.305 16.900) 29.585 ======================= Grid point 168 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -5.656 1.093 -11.705) 13.046 2.043 ( -1.492 1.399 -5.548) 5.913 2.497 ( -0.474 2.399 -7.681) 8.061 2.611 ( 11.600 -20.349 11.345) 26.026 2.884 ( 18.399 -9.217 -0.067) 20.578 3.079 ( 5.936 3.332 16.620) 17.960 3.211 ( 9.730 -2.763 1.104) 10.175 3.348 ( -2.829 2.146 -10.052) 10.661 3.484 ( -5.803 -2.524 2.328) 6.742 3.620 ( -10.957 1.029 -3.801) 11.643 3.745 ( 0.771 0.480 9.561) 9.604 3.860 ( 4.056 2.311 -1.251) 4.833 3.977 ( 1.248 2.669 -1.325) 3.231 4.105 ( -1.067 4.319 5.267) 6.894 4.363 ( -7.677 6.187 -9.124) 13.433 4.680 ( -3.897 -0.815 -5.725) 6.973 4.696 ( 1.510 7.380 -2.887) 8.067 4.858 ( -2.393 -0.113 -0.159) 2.401 5.006 ( 0.010 0.306 -10.178) 10.183 5.131 ( 1.727 0.546 -0.271) 1.832 5.292 ( -1.276 -1.513 -0.526) 2.048 5.438 ( 2.587 -1.295 0.072) 2.894 5.619 ( 0.555 -8.683 -2.091) 8.948 5.670 ( -2.580 6.153 0.578) 6.697 5.857 ( -4.282 -0.917 5.361) 6.923 6.002 ( -6.472 -11.440 15.430) 20.270 6.251 ( 0.467 0.063 -4.105) 4.132 6.257 ( -0.401 -8.018 -0.276) 8.032 6.335 ( 10.894 4.493 2.665) 12.082 6.434 ( -3.690 -0.995 -0.409) 3.843 6.610 ( 2.584 2.706 0.173) 3.746 6.659 ( -1.684 8.871 -0.780) 9.063 7.042 ( 0.953 2.170 1.465) 2.786 7.179 ( 2.780 10.224 10.878) 15.186 7.336 ( -6.416 -5.197 -4.509) 9.408 7.489 ( 2.212 1.056 -6.701) 7.135 7.748 ( -6.594 5.447 -5.800) 10.334 8.135 ( -0.849 0.863 0.194) 1.227 8.284 ( -2.667 6.099 -0.405) 6.669 8.627 ( -1.566 2.832 1.202) 3.453 8.685 ( 1.427 1.274 -0.086) 1.915 9.334 ( -2.654 -2.297 5.269) 6.332 9.608 ( -1.107 -2.980 3.015) 4.381 9.669 ( 4.549 -1.776 -1.453) 5.095 9.873 ( 0.172 -1.595 -4.446) 4.727 10.237 ( 5.746 -0.830 18.785) 19.662 10.409 ( -6.327 -6.197 9.223) 12.786 10.720 ( 5.662 -0.337 -3.047) 6.439 10.785 ( -6.156 -4.054 -9.367) 11.920 10.842 ( 1.469 -3.834 -2.317) 4.714 10.965 ( 4.625 1.482 -3.603) 6.047 11.141 ( 4.567 0.291 -9.572) 10.609 12.137 ( 0.299 -2.810 1.726) 3.311 12.270 ( 3.883 -3.378 -2.933) 5.924 12.657 ( -2.130 2.719 0.383) 3.475 12.712 ( -2.885 5.266 -0.442) 6.020 13.012 ( 0.136 -0.438 -1.465) 1.535 13.061 ( 0.442 -0.492 1.402) 1.550 14.133 ( 0.171 -1.855 -0.670) 1.979 14.384 ( -2.223 3.482 -0.472) 4.158 14.501 ( 2.120 1.772 1.296) 3.052 14.584 ( -2.776 1.569 0.939) 3.324 15.182 ( -0.506 0.434 0.592) 0.892 15.228 ( 0.181 1.640 -2.680) 3.147 16.315 ( -4.060 -0.434 7.835) 8.835 16.519 ( 3.424 -1.288 -4.677) 5.938 17.027 ( 1.326 -2.271 0.234) 2.640 17.060 ( 1.149 -2.127 -0.035) 2.418 20.667 ( -1.551 1.608 0.415) 2.272 20.913 ( 1.236 -1.980 -0.111) 2.337 20.949 ( 0.686 0.077 -1.416) 1.576 21.061 ( 0.646 -0.404 0.997) 1.255 26.855 ( 0.752 1.830 5.416) 5.766 27.066 ( -1.521 -1.201 0.355) 1.970 27.115 ( -2.123 -1.364 -2.476) 3.536 27.336 ( -0.025 0.152 0.243) 0.287 27.338 ( 0.078 -0.315 -0.115) 0.344 27.485 ( 5.164 -0.414 -4.051) 6.577 28.760 ( 0.662 1.246 0.121) 1.416 28.823 ( -2.365 -1.776 -1.683) 3.402 29.090 ( 2.332 -0.907 -0.346) 2.526 29.293 ( -1.007 -3.246 1.263) 3.625 29.539 ( -0.342 0.961 6.349) 6.431 29.702 ( 4.840 -7.488 -8.332) 12.203 31.477 ( 0.699 -2.343 13.938) 14.150 31.614 ( 3.362 1.253 -0.032) 3.588 31.785 ( -2.539 -1.217 -0.405) 2.845 32.119 ( -3.282 5.388 -14.395) 15.717 32.650 ( -7.085 11.865 8.339) 16.140 32.770 ( 0.134 0.782 -3.925) 4.004 ======================= Grid point 169 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -6.402 -6.456 -7.068) 11.515 1.993 ( 1.593 2.566 -2.452) 3.890 2.405 ( 0.135 8.181 1.572) 8.332 2.819 ( -5.176 3.743 -5.303) 8.302 3.000 ( -8.635 13.196 -10.701) 19.058 3.044 ( 11.938 13.286 9.833) 20.389 3.099 ( -1.921 4.545 7.298) 8.810 3.468 ( 3.004 -5.108 -3.655) 6.962 3.546 ( 5.614 -7.035 6.773) 11.264 3.641 ( -13.098 -3.611 -15.646) 20.721 3.719 ( 0.730 -9.979 6.269) 11.808 3.831 ( 1.280 -2.171 -0.417) 2.554 4.011 ( 6.137 -7.149 -2.622) 9.780 4.098 ( 2.868 1.064 10.715) 11.143 4.286 ( -1.018 -2.739 -5.135) 5.908 4.587 ( -1.025 3.110 0.807) 3.372 4.729 ( -0.120 -3.659 -1.739) 4.053 4.818 ( -0.702 1.301 2.095) 2.564 4.935 ( 3.469 4.439 -6.889) 8.899 5.193 ( 2.549 -4.689 -6.476) 8.391 5.307 ( -0.675 -2.444 -1.943) 3.194 5.439 ( -1.611 0.004 -0.208) 1.624 5.513 ( -1.220 8.390 4.177) 9.452 5.711 ( 0.416 -4.723 -0.325) 4.753 5.857 ( -1.477 2.577 7.148) 7.740 6.119 ( -7.904 0.328 8.741) 11.789 6.205 ( -8.172 7.456 0.055) 11.062 6.263 ( 5.066 3.574 -0.591) 6.228 6.348 ( -6.390 0.008 2.800) 6.977 6.483 ( 4.839 6.019 -8.653) 11.598 6.504 ( 0.265 -15.487 4.731) 16.195 6.726 ( 2.336 -6.315 -2.378) 7.141 7.056 ( 1.121 4.905 3.885) 6.357 7.112 ( 11.361 1.379 6.800) 13.312 7.400 ( -5.101 -8.732 -3.142) 10.590 7.476 ( 1.225 0.741 -6.177) 6.341 7.702 ( 2.044 -5.326 -2.327) 6.161 8.167 ( 2.328 -2.174 -2.545) 4.077 8.259 ( 4.679 -3.843 1.481) 6.233 8.615 ( 1.687 -0.239 2.520) 3.042 8.687 ( 0.851 -0.374 -0.226) 0.957 9.337 ( -2.773 1.020 4.688) 5.542 9.609 ( -2.847 1.655 0.609) 3.349 9.699 ( 2.869 1.233 -1.615) 3.515 9.864 ( -0.795 0.814 -3.770) 3.938 10.311 ( 4.994 6.156 17.110) 18.857 10.477 ( -10.199 -7.116 9.014) 15.360 10.683 ( -5.252 2.075 -13.787) 14.899 10.752 ( 1.168 1.562 -5.774) 6.095 10.849 ( -1.565 1.835 -0.124) 2.415 10.955 ( 1.778 3.350 1.102) 3.949 11.079 ( 1.371 5.812 -8.031) 10.008 12.140 ( -2.574 1.931 1.696) 3.637 12.250 ( -2.675 4.785 -1.356) 5.647 12.658 ( 1.436 -2.456 0.258) 2.856 12.715 ( 3.652 -5.480 -0.700) 6.623 12.988 ( -1.979 1.462 0.805) 2.589 13.102 ( 2.697 -2.400 -2.359) 4.312 14.142 ( 1.374 1.661 -1.452) 2.599 14.348 ( -0.747 -0.728 2.541) 2.747 14.526 ( 1.335 -2.678 -0.722) 3.079 14.592 ( 1.517 -3.034 0.240) 3.400 15.197 ( 0.749 -1.829 0.620) 2.071 15.218 ( 1.197 -0.948 -3.233) 3.575 16.297 ( -4.599 1.424 8.993) 10.201 16.524 ( 1.756 1.597 -4.570) 5.150 17.029 ( -0.968 2.351 0.001) 2.543 17.059 ( -1.316 1.867 -0.003) 2.284 20.655 ( 0.499 -0.554 1.245) 1.451 20.923 ( -0.262 0.903 -0.776) 1.218 20.947 ( -1.303 -0.029 -1.043) 1.669 21.083 ( 1.420 -1.671 -1.207) 2.504 26.874 ( 3.459 0.505 4.569) 5.753 27.058 ( -1.437 -1.433 -5.257) 5.635 27.122 ( -3.907 -1.724 3.458) 5.494 27.334 ( -0.047 0.126 0.155) 0.206 27.342 ( -0.050 -0.192 -0.054) 0.205 27.518 ( 3.734 -1.124 -8.096) 8.987 28.749 ( 0.544 1.013 0.940) 1.485 28.825 ( -0.909 -1.090 -1.726) 2.235 29.088 ( -1.409 1.515 -0.158) 2.075 29.298 ( -0.188 2.450 0.861) 2.603 29.499 ( -3.991 3.945 6.524) 8.605 29.784 ( 2.317 -2.508 -13.255) 13.688 31.580 ( -0.004 -0.399 3.112) 3.138 31.648 ( 2.560 -2.604 13.836) 14.310 31.773 ( 0.430 1.026 0.184) 1.128 31.911 ( -3.430 5.403 -9.726) 11.643 32.441 ( -6.319 8.868 15.058) 18.583 32.964 ( 9.919 -15.871 -9.257) 20.880 ======================= Grid point 170 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -7.608 -6.740 2.683) 10.513 1.958 ( 0.352 4.759 2.328) 5.309 2.227 ( -6.784 17.107 1.994) 18.511 2.367 ( -6.914 17.985 -4.938) 19.891 2.743 ( 1.843 5.905 -14.578) 15.836 2.992 ( 0.120 6.480 5.513) 8.509 3.045 ( 1.029 4.153 6.679) 7.932 3.443 ( -12.205 -0.648 -12.944) 17.802 3.514 ( 0.506 -0.504 2.377) 2.482 3.757 ( -0.799 -4.682 0.482) 4.774 3.884 ( 5.517 0.333 -5.766) 7.987 3.975 ( 5.586 -11.634 3.061) 13.263 4.130 ( 0.346 -5.678 -3.870) 6.880 4.170 ( -5.129 -1.077 6.419) 8.287 4.338 ( -3.666 -3.788 0.648) 5.311 4.553 ( 6.607 2.327 9.937) 12.157 4.716 ( -1.410 0.420 -3.609) 3.897 4.875 ( -2.341 -4.005 -0.544) 4.671 4.983 ( 6.603 -7.683 -3.565) 10.739 5.234 ( 3.217 -0.988 -3.071) 4.556 5.326 ( 0.495 0.264 -3.100) 3.150 5.366 ( -10.102 6.302 6.796) 13.710 5.470 ( 1.234 -3.242 -1.971) 3.990 5.767 ( 4.204 1.641 1.261) 4.686 5.847 ( 5.040 0.892 -1.033) 5.222 5.992 ( -7.029 6.330 4.135) 10.324 6.026 ( -4.581 7.380 2.229) 8.968 6.188 ( 2.516 6.986 -0.859) 7.474 6.308 ( -7.488 -4.189 3.719) 9.351 6.404 ( 2.960 5.270 -5.221) 7.987 6.753 ( -1.973 -11.487 -5.997) 13.108 6.897 ( 3.792 -8.675 -0.839) 9.505 6.976 ( 1.669 5.273 2.930) 6.258 7.307 ( 2.470 0.734 -3.182) 4.094 7.433 ( 8.026 -11.150 3.245) 14.116 7.586 ( 1.409 -15.834 4.774) 16.598 7.909 ( 9.382 -12.200 0.018) 15.390 8.279 ( 7.085 -7.348 -1.793) 10.364 8.444 ( 6.896 -9.708 1.107) 11.960 8.680 ( 5.762 -1.852 2.493) 6.545 8.718 ( 0.258 -3.303 0.137) 3.316 9.283 ( -2.927 4.330 4.400) 6.832 9.510 ( -3.703 5.724 -1.091) 6.904 9.680 ( 1.036 2.555 -3.393) 4.372 9.806 ( -1.409 3.146 -2.536) 4.280 10.268 ( 1.210 9.964 15.461) 18.433 10.436 ( -14.731 1.583 -13.588) 20.103 10.541 ( -4.273 2.879 3.787) 6.394 10.663 ( -0.091 7.149 -7.314) 10.228 10.784 ( -2.588 2.674 -0.121) 3.723 10.868 ( -2.567 6.780 0.134) 7.251 10.978 ( 0.117 5.622 2.498) 6.153 12.052 ( -4.164 4.890 1.630) 6.627 12.121 ( -4.104 5.606 -0.466) 6.963 12.693 ( -1.088 3.752 2.414) 4.593 12.873 ( 4.399 -7.969 -1.698) 9.260 12.993 ( 1.495 -5.088 0.800) 5.363 13.137 ( 1.644 -0.028 -6.587) 6.789 14.125 ( 4.053 1.810 -2.358) 5.026 14.373 ( -1.569 -2.230 2.059) 3.417 14.628 ( 2.553 -7.108 -0.141) 7.554 14.677 ( 2.605 -3.970 -0.033) 4.749 15.259 ( 2.729 -3.622 -2.950) 5.410 15.266 ( 1.998 -4.751 0.409) 5.170 16.253 ( -3.916 2.756 8.749) 9.974 16.467 ( -0.426 4.205 -3.380) 5.412 16.946 ( -2.447 5.075 0.363) 5.646 16.985 ( -2.691 4.342 -0.835) 5.176 20.693 ( 1.959 -1.397 1.788) 2.998 20.889 ( -1.593 1.854 -0.297) 2.462 20.909 ( -2.947 1.364 -0.488) 3.284 21.117 ( 1.040 -1.547 -5.906) 6.193 26.933 ( 5.835 -0.600 1.692) 6.105 27.059 ( -0.645 -1.953 -2.902) 3.557 27.110 ( -6.301 -1.593 1.541) 6.679 27.333 ( 0.013 0.011 0.023) 0.028 27.343 ( -0.173 -0.024 -0.030) 0.178 27.528 ( 1.531 -1.295 -11.006) 11.187 28.743 ( 1.013 1.143 1.299) 2.005 28.828 ( -0.062 -0.488 -1.280) 1.372 29.026 ( -3.411 2.673 0.211) 4.339 29.215 ( -0.962 7.153 0.700) 7.251 29.392 ( -5.328 6.276 4.947) 9.604 29.709 ( -2.530 5.264 -15.969) 17.003 31.547 ( -1.971 2.030 -0.480) 2.869 31.638 ( -2.752 2.708 -6.871) 7.881 31.777 ( 3.127 2.542 -0.426) 4.052 31.944 ( 0.621 -2.701 14.552) 14.813 32.458 ( 4.775 -8.207 26.908) 28.534 33.332 ( 11.766 -20.057 -9.589) 25.153 ======================= Grid point 171 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -7.471 20.765 13.102) 25.664 1.799 ( -10.758 4.802 16.100) 19.950 2.056 ( -1.810 -3.647 -1.907) 4.496 2.404 ( 7.985 -4.067 14.132) 16.734 2.636 ( 11.273 9.141 -13.336) 19.710 2.898 ( -11.555 -0.876 -0.322) 11.593 3.052 ( 8.305 2.196 -0.168) 8.592 3.271 ( -9.745 2.822 -11.620) 15.425 3.498 ( 0.329 6.247 1.171) 6.364 3.607 ( -8.489 15.590 14.166) 22.710 3.911 ( -9.035 0.178 -10.889) 14.150 4.079 ( -4.139 -6.054 -2.732) 7.826 4.196 ( -2.765 -4.817 5.917) 8.115 4.252 ( 7.989 -9.217 2.538) 12.459 4.413 ( 7.809 -3.761 3.071) 9.195 4.667 ( -4.622 -7.852 0.165) 9.113 4.712 ( 2.079 -2.513 -1.365) 3.535 4.865 ( -5.760 -1.545 -8.018) 9.993 5.022 ( -9.913 2.619 -8.435) 13.277 5.175 ( 0.359 1.903 -5.165) 5.516 5.323 ( 4.133 2.271 2.799) 5.483 5.375 ( 2.033 -2.862 -5.279) 6.340 5.450 ( -3.088 2.248 -5.826) 6.966 5.717 ( -2.806 9.391 -5.829) 11.404 5.788 ( 3.995 7.675 7.071) 11.175 5.912 ( -3.691 0.909 1.695) 4.162 5.950 ( 3.546 -1.195 -3.864) 5.378 6.141 ( 10.430 4.335 2.679) 11.609 6.335 ( 2.992 2.740 -2.867) 4.968 6.423 ( -4.258 -11.125 8.810) 14.816 6.768 ( -4.154 11.582 2.084) 12.480 6.911 ( 1.996 -10.673 -4.824) 11.881 7.038 ( 1.547 -0.362 -5.887) 6.097 7.136 ( -8.243 8.280 -2.350) 11.917 7.980 ( 19.449 -27.248 9.433) 34.781 8.083 ( 9.720 -32.584 11.875) 36.017 8.250 ( 14.615 -17.581 2.062) 22.955 8.488 ( 7.081 -9.788 1.107) 12.131 8.673 ( 3.994 -11.064 -4.003) 12.425 8.758 ( 6.048 -1.058 0.674) 6.177 8.843 ( 6.751 -6.829 3.066) 10.080 9.183 ( -3.208 5.744 4.700) 8.086 9.385 ( -1.650 4.949 -1.438) 5.411 9.590 ( -2.498 4.970 -8.774) 10.388 9.733 ( -0.871 4.589 1.075) 4.794 10.115 ( -10.898 8.551 -3.708) 14.340 10.156 ( -5.279 11.488 1.683) 12.754 10.479 ( -0.091 8.128 5.585) 9.863 10.500 ( -3.859 3.207 -5.859) 7.714 10.716 ( -0.409 5.419 -2.273) 5.890 10.734 ( -7.477 4.104 7.629) 11.443 10.887 ( -2.989 5.065 1.441) 6.055 11.937 ( -3.397 4.964 0.835) 6.073 12.005 ( -4.035 3.529 0.100) 5.361 12.483 ( -7.495 16.990 5.012) 19.234 12.932 ( -5.842 7.306 -14.406) 17.176 13.123 ( 4.326 -5.194 -0.764) 6.803 13.156 ( 3.925 -7.972 -0.561) 8.904 14.148 ( 6.646 0.899 -2.016) 7.003 14.411 ( -1.908 -4.298 -1.105) 4.831 14.746 ( 2.188 -1.537 0.193) 2.681 14.775 ( 1.091 -7.675 1.168) 7.840 15.366 ( 4.864 -6.088 -2.000) 8.045 15.391 ( 2.520 -6.932 0.792) 7.418 16.207 ( -1.690 2.766 6.360) 7.138 16.361 ( -2.568 5.671 -1.429) 6.387 16.850 ( -1.758 3.790 0.424) 4.200 16.880 ( -2.575 4.380 -1.298) 5.244 20.732 ( 1.892 -0.131 1.336) 2.320 20.835 ( -2.183 2.019 -0.645) 3.043 20.856 ( -3.389 1.530 1.129) 3.886 21.072 ( -2.342 3.659 -10.172) 11.061 26.991 ( 4.131 -0.316 -3.304) 5.299 27.065 ( -6.855 -0.897 -1.535) 7.081 27.108 ( 2.289 -3.313 2.429) 4.702 27.334 ( 0.049 -0.040 -0.032) 0.071 27.340 ( -0.167 0.112 -0.131) 0.240 27.505 ( -1.324 -0.527 -10.449) 10.546 28.736 ( 1.838 1.967 1.091) 2.905 28.828 ( -0.306 -0.115 -0.843) 0.904 28.958 ( -2.915 1.838 0.511) 3.484 29.072 ( -1.991 8.071 0.390) 8.322 29.231 ( -5.324 8.844 2.791) 10.693 29.456 ( -7.618 12.631 -12.079) 19.065 31.495 ( -1.718 1.652 -0.315) 2.404 31.562 ( -2.231 1.070 -4.631) 5.250 31.764 ( 4.288 3.117 0.321) 5.311 31.945 ( -4.418 1.930 3.941) 6.227 33.021 ( 18.900 -28.269 35.728) 49.324 33.741 ( 11.079 -19.978 -7.725) 24.115 ======================= Grid point 172 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 7.004 -3.771 36.864) 37.713 1.739 ( -8.746 -0.071 29.714) 30.974 2.098 ( -2.444 -2.736 0.900) 3.778 2.461 ( 1.243 13.530 7.414) 15.478 2.581 ( 9.822 1.164 -16.898) 19.580 2.823 ( -9.259 -0.044 18.953) 21.094 3.058 ( -4.762 1.316 -29.040) 29.457 3.189 ( 6.720 -1.213 7.373) 10.049 3.286 ( -8.946 12.913 31.869) 35.530 3.350 ( 7.010 13.879 -12.157) 19.737 3.813 ( -10.508 -5.187 -6.263) 13.287 4.086 ( -6.609 -0.001 7.367) 9.897 4.353 ( -1.388 -11.906 -7.700) 14.247 4.452 ( 4.144 -6.151 1.426) 7.552 4.536 ( 3.637 -2.587 -4.679) 6.466 4.649 ( -8.013 3.346 0.700) 8.712 4.778 ( -3.902 -5.341 -19.671) 20.753 4.793 ( -9.042 -2.756 -8.864) 12.958 4.896 ( 6.959 -1.432 -1.272) 7.217 5.129 ( 1.659 1.269 -6.586) 6.909 5.299 ( -0.307 5.729 -1.565) 5.947 5.334 ( 2.708 9.745 -3.536) 10.714 5.356 ( -4.904 -0.416 -6.577) 8.215 5.440 ( -4.805 7.553 -5.665) 10.594 5.775 ( 1.235 3.708 3.403) 5.183 5.865 ( 2.007 4.342 -1.494) 5.011 6.050 ( 2.936 -8.725 1.607) 9.344 6.238 ( 7.041 -1.311 1.136) 7.252 6.319 ( 3.665 3.024 -3.210) 5.734 6.533 ( -11.063 1.560 3.612) 11.742 6.654 ( 8.706 -2.358 7.992) 12.051 6.929 ( -8.185 4.951 2.012) 9.775 6.979 ( 4.192 5.701 -2.686) 7.569 7.077 ( -1.725 -8.103 -2.895) 8.776 8.430 ( 11.444 -8.871 6.777) 15.987 8.632 ( 4.089 -7.965 5.328) 10.418 8.742 ( 2.306 -11.404 0.674) 11.655 8.800 ( 1.911 -8.459 -1.825) 8.862 8.869 ( 12.725 -21.315 12.346) 27.725 9.035 ( 9.418 -16.690 -3.221) 19.433 9.094 ( 2.425 -0.166 8.420) 8.763 9.153 ( 23.605 -26.774 -1.098) 35.711 9.319 ( 1.855 1.658 -1.678) 3.001 9.443 ( -6.301 1.471 -6.664) 9.288 9.605 ( -3.012 8.595 -0.142) 9.108 9.828 ( -8.739 6.596 -10.939) 15.477 10.058 ( -1.326 1.104 14.665) 14.766 10.326 ( -0.793 7.744 0.932) 7.841 10.473 ( 0.307 -0.309 -0.926) 1.023 10.573 ( -1.335 10.015 3.715) 10.765 10.626 ( -5.978 5.279 2.462) 8.347 10.770 ( -6.048 4.453 -2.898) 8.051 11.844 ( -1.392 3.536 0.100) 3.801 11.934 ( -5.613 0.037 0.210) 5.617 12.104 ( -6.693 19.901 3.189) 21.238 12.430 ( -18.739 28.787 -16.130) 37.948 13.273 ( 3.668 -5.516 0.601) 6.652 13.294 ( 2.224 -4.725 -0.051) 5.223 14.196 ( 6.733 0.644 0.066) 6.765 14.450 ( -3.931 -4.275 -7.070) 9.150 14.775 ( 2.613 0.407 4.097) 4.876 14.890 ( -0.884 -5.148 0.463) 5.244 15.510 ( 4.761 -5.399 -1.076) 7.278 15.516 ( 1.174 -5.017 0.972) 5.243 16.187 ( 1.454 1.207 1.578) 2.462 16.241 ( -3.668 4.596 0.577) 5.908 16.802 ( -0.630 1.127 0.385) 1.347 16.808 ( -0.576 1.618 -0.586) 1.815 20.744 ( 1.423 0.608 0.491) 1.624 20.786 ( -2.140 1.185 -0.457) 2.489 20.803 ( -2.797 1.702 0.681) 3.344 20.887 ( -5.170 8.760 -6.204) 11.915 26.996 ( -4.761 -0.401 -1.450) 4.993 27.011 ( 0.124 0.134 -3.349) 3.354 27.212 ( 5.713 -2.784 2.972) 7.015 27.334 ( -0.006 -0.010 -0.087) 0.088 27.336 ( 0.024 0.198 -0.095) 0.220 27.445 ( -4.588 0.706 -5.322) 7.062 28.731 ( 3.350 1.598 0.767) 3.790 28.815 ( -1.088 0.658 -0.776) 1.489 28.911 ( -1.647 1.894 0.365) 2.536 28.949 ( -3.030 3.761 0.385) 4.845 29.052 ( -2.326 7.746 0.710) 8.119 29.134 ( -8.181 11.513 -2.707) 14.381 31.465 ( -0.995 0.584 0.917) 1.474 31.522 ( -1.194 0.269 -3.088) 3.321 31.764 ( 4.628 2.067 0.915) 5.150 31.879 ( -4.743 1.356 0.371) 4.947 33.822 ( 20.108 -28.695 17.199) 39.032 34.094 ( 6.910 -13.848 -3.345) 15.834 ======================= Grid point 174 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -8.012 -0.000 13.640) 15.819 1.954 ( -7.028 -0.000 32.776) 33.521 2.204 ( -5.207 -0.000 -19.640) 20.319 2.320 ( 3.605 0.000 -6.455) 7.393 2.369 ( 5.326 0.000 1.155) 5.450 2.715 ( 0.777 0.000 -3.672) 3.753 3.179 ( 15.108 0.000 0.138) 15.109 3.258 ( 8.167 0.000 -17.341) 19.168 3.372 ( -14.797 -0.000 -20.217) 25.054 3.670 ( -0.110 -0.000 16.066) 16.066 3.898 ( 23.698 0.000 56.513) 61.280 4.059 ( 11.037 0.000 -36.828) 38.447 4.229 ( -2.247 -0.000 5.069) 5.545 4.316 ( 12.096 0.000 5.158) 13.150 4.568 ( -10.867 -0.000 -1.241) 10.937 4.611 ( 8.500 0.000 -2.237) 8.789 4.676 ( 7.255 0.000 -6.840) 9.971 4.823 ( -11.796 -0.000 0.931) 11.833 4.969 ( 1.775 0.000 -4.892) 5.204 5.099 ( -1.070 -0.000 5.232) 5.341 5.117 ( 1.461 0.000 2.679) 3.052 5.207 ( -7.570 -0.000 -3.615) 8.389 5.362 ( 5.917 0.000 0.563) 5.943 5.388 ( 4.847 0.000 -0.975) 4.944 5.805 ( -1.683 -0.000 -2.229) 2.793 5.832 ( 3.788 0.000 -5.211) 6.442 6.083 ( -19.717 -0.000 0.269) 19.718 6.088 ( -1.142 -0.000 6.337) 6.439 6.290 ( -1.620 -0.000 -0.655) 1.747 6.479 ( 5.609 0.000 1.345) 5.768 6.848 ( 1.088 0.000 -8.046) 8.119 6.966 ( 0.661 0.000 -6.872) 6.904 7.046 ( 12.628 0.000 1.804) 12.756 7.139 ( 4.121 0.000 1.467) 4.374 8.488 ( -16.225 -0.000 -6.147) 17.350 8.685 ( -7.364 -0.000 -3.783) 8.279 8.696 ( -6.643 -0.000 10.231) 12.199 8.798 ( -11.338 -0.000 1.018) 11.384 8.861 ( -12.385 -0.000 9.054) 15.342 8.928 ( -43.173 -0.000 12.119) 44.841 9.070 ( -9.301 -0.000 -5.946) 11.040 9.140 ( -13.769 -0.000 -6.451) 15.205 9.302 ( 1.890 0.000 -3.315) 3.816 9.465 ( -18.973 -0.000 1.324) 19.019 9.652 ( 7.893 0.000 -7.041) 10.577 9.664 ( 8.734 0.000 8.271) 12.029 10.282 ( 6.331 0.000 5.836) 8.610 10.422 ( 4.507 0.000 -14.934) 15.599 10.499 ( 6.654 0.000 -2.531) 7.119 10.555 ( 5.489 0.000 0.912) 5.564 10.625 ( 10.506 0.000 0.791) 10.536 10.724 ( 13.080 0.000 6.276) 14.508 11.899 ( 5.386 0.000 -1.398) 5.565 11.917 ( 3.744 0.000 0.872) 3.844 12.155 ( 25.660 0.000 -7.247) 26.664 12.267 ( 27.445 0.000 6.880) 28.294 13.279 ( -6.248 -0.000 0.096) 6.249 13.289 ( -6.067 -0.000 0.365) 6.078 14.186 ( -7.066 -0.000 -7.395) 10.228 14.373 ( 1.937 0.000 7.521) 7.767 14.821 ( -4.402 -0.000 -4.548) 6.330 14.911 ( -0.151 -0.000 4.199) 4.202 15.474 ( -7.734 -0.000 0.908) 7.787 15.550 ( -4.101 -0.000 -0.813) 4.181 16.171 ( 2.378 0.000 -0.038) 2.378 16.246 ( 2.534 0.000 0.816) 2.663 16.796 ( 1.051 0.000 0.403) 1.126 16.805 ( 0.896 0.000 -0.300) 0.945 20.756 ( 1.271 0.000 -0.521) 1.373 20.783 ( 3.585 0.000 1.594) 3.923 20.813 ( 3.207 0.000 1.085) 3.386 20.850 ( 6.511 0.000 -2.778) 7.079 26.942 ( -0.699 -0.000 1.497) 1.652 27.003 ( -0.659 -0.000 0.990) 1.190 27.230 ( -5.253 -0.000 -3.199) 6.150 27.334 ( 0.085 0.000 0.029) 0.090 27.334 ( 0.017 0.000 -0.009) 0.019 27.457 ( 6.164 0.000 3.076) 6.889 28.715 ( -0.725 -0.000 -1.109) 1.325 28.753 ( -3.097 -0.000 1.303) 3.360 28.945 ( 3.183 0.000 0.496) 3.222 28.983 ( 2.393 0.000 0.413) 2.429 29.014 ( 12.274 0.000 -1.730) 12.395 29.145 ( 10.746 0.000 -0.095) 10.746 31.488 ( 0.639 0.000 -1.515) 1.644 31.490 ( 1.524 0.000 2.491) 2.921 31.733 ( -3.692 -0.000 -2.476) 4.445 31.912 ( 6.251 0.000 1.155) 6.356 33.988 ( -22.242 -0.000 -7.613) 23.508 34.027 ( -22.030 -0.000 7.044) 23.129 ======================= Grid point 175 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.319 2.320 -1.479) 3.052 1.920 ( -1.154 1.233 -10.431) 10.567 2.176 ( 5.385 1.877 3.987) 6.958 2.355 ( 2.497 -11.414 10.108) 15.450 2.533 ( -5.106 -6.303 -11.029) 13.691 2.792 ( -0.411 -4.033 14.316) 14.879 3.064 ( -6.347 1.992 -18.198) 19.376 3.246 ( 8.293 5.919 -8.568) 13.312 3.411 ( 16.876 -2.792 -4.177) 17.608 3.699 ( -4.008 1.437 16.619) 17.156 4.113 ( 11.020 -4.052 -16.039) 19.877 4.211 ( 6.134 7.511 4.270) 10.596 4.302 ( 0.942 -10.224 -4.049) 11.037 4.341 ( 0.594 8.914 11.736) 14.750 4.408 ( -1.251 6.043 2.464) 6.645 4.606 ( 10.562 4.983 15.776) 19.628 4.713 ( -0.850 1.879 -1.291) 2.433 4.844 ( 2.793 -9.417 -3.866) 10.556 4.987 ( 6.099 5.757 -0.741) 8.419 5.045 ( 5.001 0.719 1.556) 5.286 5.176 ( -7.458 -6.657 1.598) 10.123 5.263 ( -2.861 -3.204 8.878) 9.862 5.428 ( 1.811 -5.342 5.468) 7.856 5.476 ( 9.636 -3.086 0.050) 10.118 5.720 ( -7.401 1.255 -5.665) 9.404 5.907 ( -0.797 -1.820 -2.485) 3.182 5.936 ( -15.492 -7.708 -1.711) 17.388 6.053 ( 1.774 4.508 -2.718) 5.555 6.272 ( 0.356 -1.138 2.159) 2.466 6.571 ( -4.362 -4.809 -2.524) 6.966 6.812 ( 0.801 -2.744 -6.271) 6.892 6.997 ( 9.070 2.758 -9.210) 13.217 7.108 ( 4.654 7.303 2.044) 8.898 7.146 ( 8.711 1.424 1.888) 9.026 8.236 ( -18.931 10.977 -1.004) 21.906 8.353 ( -34.936 18.794 -0.011) 39.671 8.379 ( -31.349 16.353 1.217) 35.379 8.559 ( -12.775 6.199 -2.505) 14.419 8.660 ( -8.550 3.281 7.290) 11.705 8.739 ( -5.725 2.037 4.181) 7.376 8.911 ( -6.753 4.087 -5.271) 9.491 9.061 ( -9.644 -6.047 -3.147) 11.810 9.371 ( 6.541 -4.572 -0.828) 8.023 9.411 ( 2.212 -0.084 6.960) 7.303 9.748 ( 6.108 -3.593 -4.284) 8.280 9.839 ( 7.701 -6.158 10.285) 14.248 10.267 ( 5.653 4.631 -1.805) 7.527 10.472 ( 5.553 -5.641 -8.691) 11.755 10.547 ( 7.015 -0.800 -1.114) 7.148 10.651 ( 6.111 -1.602 1.422) 6.476 10.835 ( 12.609 -8.289 -1.883) 15.207 10.885 ( 8.419 -3.480 1.775) 9.281 11.904 ( 5.701 -0.474 1.139) 5.833 12.031 ( 4.496 -3.054 -0.873) 5.505 12.465 ( 18.046 -11.820 -10.142) 23.837 12.650 ( 18.493 -10.005 10.284) 23.406 13.159 ( -8.602 5.180 -0.115) 10.042 13.195 ( -7.743 3.707 0.397) 8.594 14.103 ( -5.065 -0.218 -5.611) 7.562 14.413 ( -0.116 -0.471 5.355) 5.377 14.744 ( -4.768 1.817 -2.950) 5.894 14.862 ( -3.026 5.606 2.922) 7.009 15.367 ( -7.783 3.561 0.766) 8.593 15.466 ( -4.868 4.058 -1.017) 6.418 16.218 ( 2.420 -1.862 -0.245) 3.063 16.309 ( 3.739 -3.800 1.006) 5.425 16.828 ( 2.953 -1.658 0.253) 3.396 16.839 ( 3.103 -2.380 0.219) 3.916 20.761 ( 1.875 0.896 -0.775) 2.217 20.831 ( 4.271 -0.040 1.652) 4.580 20.872 ( 2.048 -2.297 1.137) 3.281 20.929 ( 4.203 -3.783 -1.175) 5.776 26.933 ( -0.868 0.694 0.629) 1.277 27.001 ( -2.443 -0.665 4.095) 4.814 27.175 ( -2.229 1.122 -2.699) 3.676 27.333 ( -0.008 0.105 0.060) 0.121 27.336 ( 0.122 -0.081 0.119) 0.188 27.500 ( 5.466 2.349 2.144) 6.323 28.723 ( -0.148 -2.033 -1.753) 2.689 28.788 ( -0.089 -3.939 1.771) 4.319 28.956 ( 2.490 -0.704 0.983) 2.768 29.040 ( 5.811 0.205 -1.016) 5.903 29.174 ( 9.215 -7.604 -0.903) 11.981 29.310 ( 10.374 -5.805 0.833) 11.917 31.462 ( 0.110 1.989 2.124) 2.912 31.551 ( 3.199 -2.422 -0.246) 4.020 31.704 ( -3.386 -1.632 -2.259) 4.386 31.992 ( 6.811 -1.829 0.238) 7.056 33.583 ( -26.184 13.694 -17.204) 34.192 33.708 ( -23.328 14.321 12.974) 30.292 ======================= Grid point 176 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 5.797 -14.178 -3.402) 15.691 1.963 ( 8.724 -3.951 -5.401) 10.995 2.239 ( 9.808 11.872 3.146) 15.718 2.397 ( -5.865 -4.308 -5.002) 8.831 2.626 ( 6.635 -9.759 -1.028) 11.845 2.859 ( -8.610 -9.979 -4.662) 13.981 3.087 ( 4.701 -3.409 -3.510) 6.785 3.231 ( 1.285 -2.701 1.956) 3.574 3.551 ( 14.402 3.985 -1.746) 15.045 3.711 ( -0.385 1.204 15.998) 16.048 3.984 ( -3.377 12.334 -5.878) 14.074 4.166 ( -2.063 3.810 5.177) 6.751 4.223 ( -0.628 13.661 4.405) 14.367 4.248 ( 1.787 5.910 -1.243) 6.298 4.465 ( 3.592 -9.661 -14.881) 18.103 4.657 ( -1.672 4.860 -2.956) 5.929 4.712 ( 4.698 0.497 1.134) 4.858 4.933 ( 5.593 2.146 6.785) 9.051 4.984 ( -8.222 -2.444 0.389) 8.587 5.146 ( 4.810 0.075 1.164) 4.949 5.239 ( 5.793 -7.656 7.721) 12.320 5.314 ( -2.342 -3.098 7.035) 8.036 5.471 ( -0.715 6.416 1.702) 6.677 5.621 ( 5.083 -5.230 6.553) 9.804 5.729 ( -1.449 -8.812 -0.413) 8.940 5.843 ( -6.682 -0.084 -3.394) 7.495 5.982 ( 0.672 -5.028 -0.885) 5.149 6.071 ( -5.059 -10.476 -6.307) 13.234 6.319 ( 1.679 -2.132 0.792) 2.827 6.564 ( -0.376 -0.823 -5.826) 5.896 6.792 ( -6.235 6.995 -3.418) 9.975 6.936 ( 5.131 -0.496 -6.193) 8.058 7.076 ( 5.859 9.793 3.577) 11.959 7.196 ( 0.836 -0.563 3.548) 3.688 7.653 ( -20.970 20.594 -3.189) 29.564 7.872 ( -12.822 14.089 2.847) 19.262 8.017 ( -10.274 8.917 -3.575) 14.066 8.301 ( -11.998 8.828 0.375) 14.900 8.521 ( -8.612 6.166 1.233) 10.663 8.680 ( -6.042 -0.473 -0.368) 6.072 8.782 ( -2.552 4.969 -3.212) 6.443 9.096 ( -11.605 -9.885 3.386) 15.616 9.472 ( 4.006 -3.708 0.208) 5.463 9.544 ( 6.788 -4.434 6.010) 10.092 9.817 ( 3.671 -1.830 -5.247) 6.660 10.063 ( 5.412 -7.197 15.442) 17.876 10.296 ( 4.889 -1.829 0.047) 5.220 10.571 ( 0.485 -6.559 -8.567) 10.800 10.671 ( 8.565 -3.825 3.128) 9.888 10.740 ( 8.104 -0.474 1.142) 8.197 10.965 ( 4.453 -1.013 -2.937) 5.430 11.074 ( 14.157 -5.247 -8.666) 17.409 12.006 ( 5.670 -4.035 1.543) 7.128 12.131 ( 6.975 -3.519 -1.392) 7.936 12.701 ( 5.397 -5.849 -6.282) 10.139 12.890 ( 2.863 0.536 6.577) 7.194 13.000 ( -7.586 0.783 0.633) 7.653 13.040 ( -7.971 5.174 0.062) 9.504 14.066 ( -2.087 -1.640 -3.551) 4.434 14.423 ( -1.025 -0.182 0.847) 1.342 14.655 ( -6.237 2.396 0.557) 6.704 14.717 ( -3.879 8.224 1.661) 9.244 15.251 ( -4.424 3.302 1.095) 5.628 15.345 ( -3.192 4.705 -1.722) 5.940 16.265 ( -0.227 -1.977 3.243) 3.805 16.421 ( 4.855 -4.361 -2.138) 6.868 16.909 ( 4.425 -3.699 -0.120) 5.769 16.935 ( 4.504 -4.159 0.725) 6.173 20.747 ( 1.194 2.439 -1.222) 2.978 20.875 ( 3.578 0.048 2.477) 4.352 20.916 ( 0.543 -2.019 -1.762) 2.734 21.015 ( 0.792 -2.847 2.380) 3.795 26.911 ( -0.705 1.080 0.474) 1.374 27.008 ( -4.463 -2.069 3.712) 6.163 27.134 ( 0.503 2.388 0.769) 2.559 27.332 ( -0.027 0.006 0.075) 0.080 27.339 ( 0.103 -0.021 0.272) 0.292 27.512 ( 4.572 2.257 -0.098) 5.100 28.757 ( 0.578 -2.396 -1.818) 3.063 28.835 ( 3.406 1.325 1.491) 3.947 29.045 ( 2.921 -5.664 1.539) 6.556 29.096 ( 4.676 -1.800 -1.303) 5.178 29.387 ( 4.790 -10.072 -1.108) 11.208 29.483 ( 6.068 -4.088 3.030) 7.920 31.452 ( -0.129 0.667 5.625) 5.666 31.607 ( 1.772 -1.400 -2.185) 3.142 31.717 ( -0.109 -3.053 -0.463) 3.090 32.090 ( 5.776 -2.737 -2.824) 6.988 33.023 ( -20.272 15.484 -24.038) 35.050 33.286 ( -19.831 17.712 16.140) 31.105 ======================= Grid point 177 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 2.544 10.536 -0.013) 10.839 2.055 ( 2.592 2.613 -3.108) 4.817 2.381 ( 12.299 -19.112 2.993) 22.923 2.525 ( 10.296 -7.924 2.793) 13.288 2.841 ( 4.079 -10.268 -8.177) 13.745 2.979 ( 2.895 -14.024 -9.710) 17.302 3.132 ( -2.056 -2.179 -0.018) 2.996 3.350 ( -4.689 -7.684 8.240) 12.203 3.525 ( 5.486 11.485 -5.162) 13.735 3.681 ( 1.161 8.024 2.959) 8.630 3.815 ( -0.191 4.267 7.018) 8.216 3.958 ( -6.634 10.376 5.753) 13.593 4.122 ( 6.406 8.074 -1.137) 10.369 4.226 ( 4.942 4.290 10.969) 12.773 4.419 ( -2.586 10.940 -11.050) 15.763 4.564 ( -7.017 -5.253 -8.511) 12.218 4.753 ( -6.302 0.577 2.673) 6.869 4.871 ( -2.228 2.445 -3.787) 5.028 4.913 ( 0.691 0.199 -9.584) 9.611 5.151 ( 0.932 1.442 0.907) 1.942 5.368 ( 6.079 4.181 0.110) 7.379 5.401 ( -0.107 -5.911 4.542) 7.455 5.489 ( 2.065 -2.932 -1.242) 3.795 5.672 ( -1.783 -2.729 3.821) 5.023 5.811 ( 0.202 -4.192 6.838) 8.023 5.876 ( -7.695 -6.556 6.876) 12.226 6.124 ( 3.705 -7.962 1.729) 8.950 6.190 ( 2.686 -5.836 -5.626) 8.540 6.358 ( -2.601 -3.412 -0.556) 4.326 6.526 ( 4.262 5.794 -3.456) 7.980 6.665 ( -4.032 0.534 4.259) 5.889 6.841 ( -0.673 17.475 0.716) 17.503 7.031 ( -1.438 -1.545 1.068) 2.365 7.074 ( -14.335 -2.793 -9.123) 17.220 7.409 ( 4.131 6.278 7.829) 10.852 7.656 ( 3.656 8.238 -4.146) 9.921 7.794 ( -4.603 9.061 -1.515) 10.275 8.125 ( -4.521 1.592 0.442) 4.814 8.333 ( -7.545 6.111 -1.857) 9.885 8.618 ( -6.081 0.396 -2.450) 6.568 8.699 ( -0.253 1.930 -1.685) 2.575 9.167 ( -13.494 -10.421 6.834) 18.368 9.568 ( 1.883 -3.466 1.290) 4.150 9.675 ( 5.683 -2.342 1.699) 6.377 9.855 ( 3.501 -0.889 -4.121) 5.480 10.251 ( -0.360 -5.794 11.975) 13.308 10.399 ( 6.388 -1.901 7.178) 9.795 10.634 ( -2.599 -5.041 -3.734) 6.790 10.793 ( 5.014 0.423 3.935) 6.388 10.830 ( 9.157 -1.000 -1.838) 9.393 10.990 ( 2.252 -0.702 -3.680) 4.371 11.198 ( 12.897 0.624 -14.389) 19.333 12.127 ( 5.595 -2.724 1.525) 6.407 12.264 ( 8.363 -3.841 -1.947) 9.407 12.687 ( -3.463 4.207 -0.170) 5.452 12.780 ( -4.245 7.427 -0.191) 8.556 12.947 ( -5.845 -2.831 -0.806) 6.544 13.003 ( -6.537 -3.250 1.962) 7.559 14.093 ( 1.285 -3.191 -1.741) 3.856 14.406 ( -1.201 1.206 -1.058) 2.004 14.550 ( -6.253 2.749 3.181) 7.535 14.574 ( -4.091 4.499 -0.575) 6.108 15.192 ( -1.242 1.283 1.182) 2.141 15.255 ( -0.894 2.971 -2.394) 3.919 16.298 ( -2.270 -1.146 6.836) 7.293 16.510 ( 4.385 -2.441 -4.626) 6.825 17.010 ( 4.033 -2.986 -0.111) 5.020 17.039 ( 3.403 -2.992 0.356) 4.545 20.703 ( 0.943 3.142 -0.591) 3.334 20.916 ( 1.831 -0.527 2.590) 3.215 20.937 ( 0.409 -0.787 -2.163) 2.338 21.050 ( -1.149 -1.167 1.298) 2.090 26.899 ( 0.955 0.361 -0.206) 1.042 27.005 ( -4.782 -1.978 1.019) 5.274 27.112 ( -0.310 2.014 5.347) 5.722 27.334 ( -0.023 -0.191 0.003) 0.192 27.340 ( 0.007 0.110 0.307) 0.326 27.515 ( 3.439 1.188 -3.604) 5.122 28.793 ( 2.167 -1.102 -1.459) 2.835 28.833 ( 3.989 3.382 1.481) 5.435 29.132 ( 6.600 1.335 -1.097) 6.823 29.202 ( -0.054 -7.673 1.886) 7.902 29.563 ( -0.025 -0.200 5.142) 5.146 29.569 ( 1.802 -9.300 -3.613) 10.138 31.488 ( -0.121 -1.963 8.975) 9.188 31.617 ( -1.673 -1.095 -0.285) 2.019 31.786 ( 5.087 -1.645 0.365) 5.359 32.103 ( -1.995 3.091 -12.610) 13.136 32.648 ( -5.214 2.318 -16.778) 17.722 32.904 ( -15.158 15.253 14.839) 26.127 ======================= Grid point 178 (84/115) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 5.403 9.083 6.159) 12.233 2.070 ( 6.523 1.956 -1.313) 6.935 2.523 ( 6.830 0.077 -5.432) 8.727 2.763 ( -5.205 -2.455 -4.643) 7.394 3.037 ( -7.055 3.481 -12.976) 15.174 3.136 ( 4.555 -7.056 10.079) 13.119 3.210 ( 6.672 -3.002 -4.239) 8.455 3.289 ( -11.711 -1.404 -5.634) 13.072 3.435 ( -2.796 -6.743 0.078) 7.300 3.620 ( 2.522 6.344 8.550) 10.941 3.734 ( 2.096 3.052 10.661) 11.286 3.869 ( -5.748 14.094 -11.867) 19.301 3.957 ( 5.450 -4.984 -2.982) 7.964 4.219 ( 5.302 4.439 6.459) 9.462 4.304 ( 7.328 3.145 -2.056) 8.235 4.575 ( -2.060 -2.317 -1.627) 3.502 4.667 ( -8.026 -2.524 7.157) 11.046 4.826 ( -1.177 0.341 -4.923) 5.073 4.954 ( 4.675 -2.068 -7.288) 8.902 5.165 ( 4.381 -0.455 -1.843) 4.775 5.348 ( 3.067 3.200 0.427) 4.453 5.414 ( -2.382 1.122 -1.204) 2.895 5.562 ( 2.258 -8.650 -0.987) 8.994 5.664 ( -6.199 5.802 5.137) 9.924 5.907 ( 1.360 -0.610 5.456) 5.656 5.980 ( -4.445 -9.840 11.917) 16.081 6.242 ( -2.550 -0.179 0.351) 2.580 6.271 ( 3.878 -3.754 4.758) 7.195 6.335 ( -6.366 -0.666 -1.299) 6.531 6.499 ( 2.810 4.734 2.482) 6.038 6.509 ( -7.459 8.024 -4.710) 11.925 6.657 ( 0.025 2.438 -4.494) 5.113 6.989 ( -5.065 -3.874 -0.609) 6.406 7.141 ( -3.565 -9.216 -7.077) 12.155 7.394 ( 7.228 5.463 10.146) 13.603 7.601 ( 11.372 6.946 -7.200) 15.146 7.676 ( 0.843 0.428 2.307) 2.493 8.133 ( -0.090 -2.128 -1.166) 2.428 8.225 ( -1.306 -1.949 -2.216) 3.227 8.567 ( -6.999 -2.944 -1.151) 7.679 8.687 ( 2.328 0.241 -1.334) 2.694 9.215 ( -14.497 -8.303 7.063) 18.138 9.612 ( 0.226 -0.096 0.430) 0.495 9.737 ( 4.183 0.412 -1.301) 4.400 9.873 ( 2.310 0.921 -2.409) 3.462 10.328 ( -5.007 -3.919 0.450) 6.374 10.476 ( 1.066 2.294 12.117) 12.378 10.664 ( -1.559 -0.903 5.042) 5.354 10.775 ( 3.944 5.181 -5.826) 8.737 10.902 ( 3.790 1.059 3.626) 5.351 11.010 ( 3.259 0.930 -3.246) 4.693 11.200 ( 10.401 5.825 -13.217) 17.799 12.184 ( 3.555 2.354 1.563) 4.541 12.331 ( 3.821 4.629 -1.410) 6.165 12.627 ( -1.133 -1.392 0.419) 1.843 12.678 ( 0.011 -0.640 -0.606) 0.882 12.936 ( -7.513 -2.709 0.761) 8.023 13.014 ( -5.412 -5.670 -1.135) 7.920 14.159 ( 3.090 -1.627 -1.297) 3.725 14.358 ( -0.915 1.864 1.308) 2.454 14.488 ( -4.197 -0.069 -1.864) 4.593 14.527 ( -2.722 -3.598 1.501) 4.755 15.185 ( 0.121 -0.456 0.736) 0.874 15.214 ( 0.600 0.759 -2.674) 2.843 16.308 ( -3.359 0.376 9.486) 10.071 16.545 ( 3.170 0.245 -5.790) 6.605 17.060 ( 1.989 0.708 -0.204) 2.121 17.081 ( 0.898 0.765 0.187) 1.195 20.681 ( 2.616 1.220 0.738) 2.980 20.926 ( -2.437 -0.211 -0.143) 2.451 20.939 ( 1.415 1.055 -0.521) 1.840 21.059 ( -0.804 -1.359 -0.553) 1.673 26.919 ( 3.290 -0.841 -2.217) 4.056 26.998 ( -3.596 -1.700 1.488) 4.247 27.092 ( -3.069 1.220 6.076) 6.916 27.337 ( -0.035 -0.007 0.161) 0.165 27.338 ( -0.072 -0.056 -0.034) 0.097 27.508 ( 1.945 0.350 -7.428) 7.686 28.810 ( 4.775 2.786 -1.937) 5.857 28.833 ( 2.537 0.676 2.771) 3.817 29.132 ( 2.617 3.445 -0.688) 4.380 29.309 ( 2.066 -2.554 1.780) 3.736 29.532 ( -5.459 2.856 6.374) 8.865 29.685 ( 0.027 -6.056 -8.284) 10.262 31.540 ( -3.464 -2.276 0.693) 4.203 31.654 ( -0.107 -2.945 9.703) 10.140 31.851 ( 7.083 1.175 0.708) 7.214 31.913 ( -3.933 5.105 -11.246) 12.961 32.572 ( -9.235 8.999 11.176) 17.063 32.762 ( 3.308 -10.979 -8.599) 14.333 ======================= Grid point 179 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.564 2.940 8.230) 10.930 2.091 ( 7.506 4.180 0.819) 8.630 2.480 ( 0.637 15.002 2.645) 15.247 2.620 ( -3.838 21.659 -14.171) 26.166 2.710 ( -4.412 -4.320 -8.497) 10.504 2.975 ( -10.822 8.743 -1.580) 14.002 3.156 ( -15.439 1.348 -16.070) 22.326 3.267 ( -3.269 3.959 1.084) 5.247 3.463 ( -2.238 -7.367 7.102) 10.475 3.752 ( 4.958 -5.042 -4.767) 8.528 3.789 ( -2.206 -8.312 -0.670) 8.626 3.907 ( 15.824 -7.318 3.086) 17.705 4.020 ( -2.213 -2.425 -9.751) 10.289 4.272 ( 3.950 7.887 15.546) 17.874 4.320 ( 8.502 -0.335 -2.787) 8.954 4.583 ( -5.978 -2.052 8.650) 10.713 4.751 ( 8.694 -4.358 -4.615) 10.765 4.814 ( -2.536 -2.982 5.454) 6.714 4.959 ( 0.266 2.255 -3.894) 4.508 5.180 ( 0.585 0.570 -3.492) 3.587 5.384 ( 7.414 0.047 3.746) 8.307 5.421 ( 0.019 -2.435 -1.864) 3.067 5.473 ( -8.535 8.435 10.320) 15.827 5.751 ( 4.280 -8.497 -2.588) 9.860 5.901 ( -2.006 0.004 -0.237) 2.020 6.030 ( -3.538 6.428 9.639) 12.114 6.110 ( -2.834 6.019 2.455) 7.091 6.225 ( -5.126 2.315 -6.631) 8.696 6.329 ( -2.689 7.838 10.126) 13.085 6.447 ( -0.185 -3.014 -3.738) 4.806 6.538 ( 1.369 -7.447 -1.640) 7.747 6.688 ( 0.226 -13.124 -2.152) 13.302 6.995 ( -6.211 -2.887 -3.530) 7.705 7.212 ( -5.223 -6.801 -7.248) 11.228 7.450 ( 9.817 0.560 7.458) 12.341 7.564 ( 8.402 4.930 -4.604) 10.775 7.835 ( 10.677 -9.550 4.916) 15.145 8.202 ( 3.479 -7.286 -2.696) 8.512 8.336 ( 2.439 -8.507 -0.163) 8.852 8.570 ( -8.859 -7.013 -1.899) 11.457 8.735 ( 7.335 -1.244 0.680) 7.471 9.211 ( -14.648 -5.214 5.620) 16.533 9.574 ( -0.636 4.535 0.080) 4.580 9.736 ( 3.374 3.094 -4.159) 6.185 9.848 ( 0.750 3.051 -0.220) 3.149 10.271 ( -9.618 0.394 -10.077) 13.936 10.446 ( -4.666 5.096 15.684) 17.138 10.660 ( 3.815 5.855 8.983) 11.381 10.690 ( -1.021 3.737 -6.570) 7.627 10.877 ( 2.404 6.343 -0.690) 6.818 10.968 ( 2.995 6.174 -4.335) 8.116 11.126 ( 5.847 8.474 -4.707) 11.320 12.130 ( 0.057 6.512 2.006) 6.814 12.210 ( -1.189 8.469 -0.738) 8.584 12.697 ( 2.728 -4.537 0.790) 5.352 12.790 ( 4.717 -7.333 -0.546) 8.736 12.910 ( -6.467 -2.845 1.416) 7.206 13.062 ( -3.608 -5.521 -4.376) 7.915 14.181 ( 4.149 1.134 -1.711) 4.630 14.342 ( -2.972 -0.155 2.641) 3.979 14.523 ( 0.816 -6.923 -2.197) 7.309 14.596 ( -1.717 -6.237 0.704) 6.507 15.214 ( 0.457 -2.701 0.364) 2.763 15.223 ( 1.663 -1.959 -2.769) 3.778 16.293 ( -3.312 1.908 10.477) 11.153 16.518 ( 1.575 3.137 -5.642) 6.645 17.018 ( -0.455 4.964 0.300) 4.994 17.038 ( -0.602 4.168 -0.500) 4.241 20.718 ( 4.548 -0.601 1.726) 4.902 20.891 ( -3.991 0.695 0.339) 4.065 20.914 ( 0.249 2.368 -0.984) 2.576 21.073 ( -0.746 -1.766 -3.696) 4.164 26.960 ( 2.917 -1.768 -5.975) 6.880 27.011 ( -3.280 -2.417 3.072) 5.103 27.064 ( -1.629 1.260 6.655) 6.967 27.335 ( 0.005 0.139 0.007) 0.140 27.340 ( -0.127 -0.156 -0.132) 0.241 27.484 ( 0.266 -0.161 -10.469) 10.473 28.802 ( 4.408 2.791 -0.588) 5.250 28.854 ( 2.136 1.063 1.733) 2.949 29.077 ( 1.556 4.952 0.080) 5.191 29.303 ( -1.652 5.032 1.534) 5.514 29.446 ( -4.992 3.403 5.730) 8.327 29.689 ( -1.643 0.524 -11.886) 12.010 31.518 ( -4.751 -0.704 -1.003) 4.907 31.628 ( -2.450 2.720 -10.225) 10.861 31.883 ( 7.581 3.730 0.986) 8.506 31.950 ( 0.364 -4.549 15.458) 16.118 32.462 ( -3.340 -1.739 18.963) 19.333 33.040 ( 5.956 -20.052 -12.191) 24.211 ======================= Grid point 180 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.195 5.786 6.578) 8.763 1.997 ( -2.400 24.603 5.106) 25.242 2.093 ( 4.860 3.966 -4.201) 7.549 2.501 ( 7.384 1.828 8.314) 11.268 2.703 ( -15.781 0.501 -6.850) 17.211 2.831 ( 16.845 1.022 -7.902) 18.635 2.963 ( -11.594 -1.841 -16.746) 20.451 3.204 ( -9.784 -1.846 1.016) 10.008 3.561 ( 0.001 -2.472 6.302) 6.769 3.776 ( -6.326 3.659 -7.791) 10.682 3.877 ( 5.057 -3.804 -0.587) 6.355 3.989 ( -0.212 -1.167 -0.405) 1.253 4.158 ( 3.230 4.945 5.872) 8.328 4.270 ( 11.216 -4.987 6.759) 14.013 4.353 ( 5.319 -1.511 -0.741) 5.579 4.519 ( -15.261 -0.723 2.578) 15.494 4.745 ( -2.625 3.388 0.585) 4.325 4.840 ( -2.798 4.618 -0.356) 5.412 4.996 ( 7.684 -1.200 -5.233) 9.373 5.152 ( -5.274 -1.496 -3.574) 6.544 5.353 ( 2.384 4.355 2.336) 5.487 5.421 ( -0.529 0.429 -6.915) 6.949 5.480 ( 7.466 1.817 6.252) 9.906 5.799 ( -4.469 4.839 -4.845) 8.177 5.885 ( -7.111 -0.743 9.784) 12.118 5.928 ( -0.815 5.407 8.070) 9.748 6.021 ( 4.611 3.579 -3.337) 6.724 6.168 ( -2.094 -2.440 -2.809) 4.269 6.285 ( -1.334 -3.169 9.880) 10.461 6.478 ( 9.986 3.673 -2.373) 10.901 6.661 ( -0.154 -13.031 -8.072) 15.330 6.867 ( -7.310 4.944 -0.840) 8.865 6.998 ( 4.141 -9.098 -3.661) 10.645 7.173 ( -7.465 2.845 -3.637) 8.777 7.639 ( 4.412 -18.489 6.079) 19.957 7.758 ( 8.553 -21.436 1.820) 23.151 8.159 ( 13.272 -12.586 5.833) 19.199 8.384 ( 3.931 -9.647 0.731) 10.443 8.503 ( 0.481 -10.162 -2.485) 10.473 8.606 ( -10.001 -9.865 -5.565) 15.110 8.884 ( 12.820 -3.959 4.179) 14.053 9.160 ( -12.506 -2.574 4.460) 13.525 9.468 ( -0.877 7.064 0.731) 7.156 9.647 ( -0.072 7.063 -9.380) 11.742 9.808 ( 0.840 3.416 4.054) 5.367 10.090 ( -8.795 5.237 -10.940) 14.982 10.325 ( -6.953 9.775 15.363) 19.491 10.574 ( 1.887 7.306 -9.567) 12.185 10.640 ( 4.515 5.719 7.747) 10.635 10.754 ( -1.837 7.375 0.234) 7.604 10.865 ( 3.640 8.012 -1.932) 9.010 10.995 ( -0.234 9.498 -1.797) 9.669 12.016 ( -1.286 6.858 2.372) 7.370 12.068 ( -0.902 6.968 -1.323) 7.150 12.698 ( -0.459 9.565 5.478) 11.032 12.910 ( 1.324 -3.353 -5.095) 6.241 13.012 ( 0.501 -10.473 -0.098) 10.486 13.067 ( -2.096 -2.901 -5.666) 6.702 14.216 ( 6.571 0.289 -1.044) 6.659 14.330 ( -4.028 -2.062 0.147) 4.528 14.657 ( 0.822 -7.775 -0.018) 7.818 14.686 ( -1.303 -6.125 0.213) 6.266 15.291 ( 0.277 -6.216 0.163) 6.224 15.293 ( 2.385 -5.452 -2.148) 6.327 16.265 ( -2.007 2.761 9.191) 9.804 16.434 ( 0.076 5.675 -4.349) 7.150 16.918 ( -1.097 5.809 0.827) 5.969 16.943 ( -0.720 5.759 -1.286) 5.945 20.776 ( 4.724 0.321 1.300) 4.910 20.836 ( -4.371 1.180 0.582) 4.565 20.872 ( 0.240 2.686 1.033) 2.888 21.055 ( -1.822 0.525 -7.865) 8.090 26.983 ( 1.115 -1.137 -4.643) 4.909 26.988 ( -7.013 -1.151 1.592) 7.283 27.122 ( 5.880 -1.550 5.951) 8.508 27.333 ( -0.046 -0.029 -0.469) 0.472 27.340 ( -0.017 0.000 -0.033) 0.037 27.443 ( -1.475 -0.366 -11.428) 11.529 28.798 ( 3.869 2.391 -0.200) 4.553 28.842 ( -0.791 1.621 0.499) 1.871 29.021 ( 3.972 5.041 1.149) 6.520 29.158 ( -6.583 7.071 1.549) 9.784 29.352 ( -1.523 7.461 3.954) 8.580 29.547 ( -2.549 8.815 -11.648) 14.829 31.480 ( -4.039 -0.153 0.323) 4.055 31.546 ( -0.302 1.381 -7.520) 7.651 31.883 ( 6.772 4.803 0.930) 8.355 31.964 ( -4.703 3.136 5.202) 7.682 32.808 ( 5.580 -24.797 30.845) 39.968 33.407 ( 4.122 -24.052 -12.467) 27.403 ======================= Grid point 181 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -5.754 4.985 17.448) 19.036 1.800 ( 7.374 4.378 16.352) 18.464 2.137 ( 6.820 2.448 8.188) 10.934 2.459 ( -15.949 -2.415 -11.340) 19.718 2.644 ( 10.378 3.932 -2.998) 11.496 2.857 ( -2.962 -3.291 -28.074) 28.421 3.000 ( 16.004 1.070 7.349) 17.643 3.167 ( -5.871 -4.458 0.218) 7.375 3.508 ( -6.019 11.502 -1.480) 13.066 3.593 ( -9.169 -0.425 -1.112) 9.246 3.853 ( 12.373 20.724 36.555) 43.805 4.067 ( -1.959 1.445 0.493) 2.484 4.122 ( 1.366 -10.388 -7.898) 13.120 4.411 ( -11.515 -3.796 1.007) 12.167 4.470 ( 9.288 -4.871 -1.280) 10.566 4.493 ( -7.208 -7.770 -5.146) 11.781 4.652 ( -1.258 -1.946 -3.526) 4.220 4.757 ( 3.577 7.952 -15.900) 18.134 5.005 ( 8.640 1.394 1.179) 8.830 5.103 ( -5.919 -2.935 -9.996) 11.982 5.317 ( 0.545 4.809 4.116) 6.353 5.371 ( -0.444 3.123 -0.557) 3.203 5.474 ( 2.232 5.236 -0.535) 5.717 5.542 ( -7.291 12.615 -5.950) 15.739 5.833 ( -4.566 1.249 5.267) 7.081 5.968 ( 2.279 4.454 -5.402) 7.363 5.991 ( 3.727 -1.476 12.305) 12.942 6.181 ( -2.156 -0.863 -4.513) 5.076 6.414 ( -6.318 -3.531 6.664) 9.839 6.535 ( 15.885 1.841 -1.338) 16.047 6.731 ( 0.614 -0.617 1.963) 2.148 6.843 ( -3.521 -8.687 -6.312) 11.301 6.986 ( -3.511 5.710 -0.091) 6.704 7.064 ( 3.734 2.340 -7.246) 8.481 8.235 ( -2.380 -42.312 13.762) 44.557 8.291 ( 3.341 -28.728 6.364) 29.613 8.503 ( 3.729 -13.792 5.047) 15.153 8.582 ( -0.040 -12.219 1.802) 12.351 8.638 ( -5.869 -11.447 -4.181) 13.526 8.692 ( -0.882 -15.600 -9.953) 18.526 9.095 ( 4.978 -2.610 4.668) 7.306 9.106 ( -1.536 -2.522 3.605) 4.660 9.355 ( -1.830 5.033 0.836) 5.420 9.463 ( -1.799 8.185 -9.650) 12.781 9.753 ( -0.181 7.224 4.868) 8.713 9.882 ( -2.735 8.986 -7.304) 11.899 10.171 ( -2.790 6.942 13.177) 15.152 10.414 ( 2.546 8.964 -10.912) 14.349 10.607 ( 5.383 6.600 4.605) 9.682 10.652 ( -2.932 4.236 6.488) 8.285 10.761 ( 3.572 9.788 -2.282) 10.666 10.821 ( -1.965 7.041 -3.041) 7.918 11.913 ( -1.395 5.374 2.655) 6.155 11.963 ( 1.445 5.150 -1.999) 5.711 12.472 ( 2.675 20.725 7.916) 22.346 12.708 ( -2.512 19.878 -15.751) 25.486 13.175 ( 0.769 -9.087 0.423) 9.130 13.184 ( -0.663 -8.856 -0.535) 8.897 14.265 ( 3.328 0.255 1.233) 3.558 14.335 ( -1.554 -2.555 -5.130) 5.938 14.757 ( -1.261 -4.994 2.720) 5.824 14.785 ( -0.606 -6.262 -0.190) 6.294 15.406 ( -1.514 -7.747 0.457) 7.907 15.422 ( 1.725 -7.810 -1.174) 8.084 16.240 ( 0.073 2.374 5.475) 5.968 16.314 ( -0.445 6.839 -2.226) 7.206 16.834 ( -0.509 3.613 0.687) 3.713 16.851 ( 0.317 4.245 -0.972) 4.366 20.781 ( -1.815 1.360 0.566) 2.337 20.789 ( 0.536 1.699 -0.090) 1.784 20.847 ( 2.420 3.159 2.850) 4.895 20.957 ( -1.264 5.432 -8.487) 10.155 26.949 ( -4.333 -0.420 2.136) 4.849 26.996 ( 0.226 -1.018 -2.612) 2.813 27.235 ( 6.305 -2.624 4.107) 7.969 27.329 ( -0.476 -0.219 -1.549) 1.636 27.341 ( 0.426 0.071 0.219) 0.484 27.385 ( -3.305 0.122 -8.652) 9.262 28.793 ( 1.220 1.442 0.296) 1.912 28.805 ( 0.004 1.630 -0.924) 1.874 28.988 ( 3.765 4.978 1.661) 6.458 28.997 ( -5.187 5.441 0.862) 7.567 29.208 ( 1.219 10.434 2.541) 10.808 29.298 ( -0.731 14.068 -7.174) 15.809 31.455 ( -2.720 -0.410 1.589) 3.177 31.516 ( 1.316 0.676 -4.141) 4.397 31.868 ( 3.526 4.031 1.019) 5.452 31.874 ( -2.375 3.363 0.556) 4.155 33.456 ( 2.253 -33.718 24.006) 41.452 33.779 ( -1.213 -23.828 -9.817) 25.799 ======================= Grid point 184 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 2.702 0.000 -23.132) 23.289 1.865 ( 0.367 0.000 6.049) 6.060 2.064 ( -3.409 -0.000 -30.433) 30.623 2.312 ( 8.271 0.000 23.448) 24.864 2.577 ( 7.257 0.000 9.711) 12.123 2.868 ( 2.184 0.000 23.650) 23.751 2.888 ( -12.546 -0.000 -16.305) 20.574 3.393 ( 13.710 0.000 -17.830) 22.492 3.444 ( 4.118 0.000 -6.345) 7.565 3.753 ( -2.444 -0.000 18.444) 18.606 4.087 ( 15.461 0.000 -31.261) 34.876 4.206 ( -7.422 -0.000 15.188) 16.904 4.309 ( -3.863 -0.000 -14.100) 14.620 4.323 ( -7.137 -0.000 0.064) 7.137 4.658 ( 8.900 0.000 5.422) 10.422 4.749 ( 3.494 0.000 -2.404) 4.241 4.785 ( 5.802 0.000 14.630) 15.738 4.848 ( 17.373 0.000 24.559) 30.083 5.016 ( -5.369 -0.000 -1.792) 5.660 5.124 ( 11.948 0.000 -0.196) 11.950 5.210 ( 3.006 0.000 17.661) 17.915 5.219 ( 3.894 0.000 7.035) 8.041 5.425 ( -2.036 -0.000 1.491) 2.524 5.483 ( 2.459 0.000 -3.609) 4.367 5.659 ( -2.257 -0.000 -8.649) 8.939 5.664 ( -14.821 -0.000 -2.178) 14.980 5.871 ( -3.514 -0.000 -0.551) 3.557 6.158 ( -8.536 -0.000 -2.496) 8.893 6.202 ( 6.335 0.000 -1.844) 6.598 6.530 ( -3.080 -0.000 3.017) 4.312 6.713 ( -2.257 -0.000 -9.167) 9.441 7.105 ( 12.829 0.000 -7.345) 14.782 7.194 ( 4.606 0.000 -4.078) 6.152 7.269 ( 7.781 0.000 1.044) 7.850 8.105 ( -42.642 -0.000 -2.257) 42.701 8.129 ( -39.038 -0.000 5.127) 39.373 8.191 ( -12.263 -0.000 -6.501) 13.880 8.477 ( -10.649 -0.000 -2.524) 10.944 8.607 ( -12.778 -0.000 9.257) 15.779 8.746 ( -8.380 -0.000 9.613) 12.753 8.790 ( -17.162 -0.000 -2.817) 17.392 8.976 ( 4.072 0.000 -11.389) 12.095 9.388 ( 7.692 0.000 -1.028) 7.760 9.478 ( 4.535 0.000 10.681) 11.604 9.764 ( 5.202 0.000 -3.163) 6.089 9.900 ( 8.561 0.000 10.560) 13.594 10.378 ( 4.324 0.000 -17.523) 18.049 10.425 ( 6.152 0.000 1.676) 6.376 10.632 ( 8.864 0.000 -0.216) 8.867 10.701 ( 8.306 0.000 1.487) 8.438 10.864 ( 13.575 0.000 -3.064) 13.916 10.946 ( 7.339 0.000 2.260) 7.679 12.001 ( 6.718 0.000 -1.141) 6.814 12.009 ( 5.144 0.000 1.394) 5.329 12.530 ( 18.933 0.000 -9.530) 21.196 12.781 ( 14.321 0.000 10.013) 17.475 13.131 ( -10.544 -0.000 0.714) 10.568 13.131 ( -8.086 -0.000 0.826) 8.128 14.037 ( -3.570 -0.000 -5.255) 6.353 14.418 ( -3.353 -0.000 7.362) 8.090 14.698 ( -4.558 -0.000 -4.346) 6.298 14.880 ( -5.235 -0.000 2.198) 5.678 15.322 ( -7.616 -0.000 1.055) 7.689 15.442 ( -5.884 -0.000 -1.164) 5.998 16.248 ( 6.233 0.000 -2.863) 6.859 16.301 ( 1.552 0.000 2.893) 3.283 16.846 ( 3.933 0.000 -0.593) 3.977 16.860 ( 4.902 0.000 1.382) 5.094 20.799 ( 3.308 0.000 -0.084) 3.309 20.862 ( 2.293 0.000 0.080) 2.294 20.908 ( 3.806 0.000 7.061) 8.022 20.913 ( 2.818 0.000 -4.398) 5.224 26.929 ( -0.795 -0.000 -1.403) 1.613 26.963 ( -6.247 -0.000 3.093) 6.971 27.195 ( 2.373 0.000 4.516) 5.101 27.335 ( 0.072 0.000 0.029) 0.077 27.336 ( 0.089 0.000 0.145) 0.170 27.580 ( 5.072 0.000 1.511) 5.292 28.717 ( 1.088 0.000 -1.114) 1.557 28.721 ( -1.388 -0.000 1.483) 2.032 29.038 ( 6.145 0.000 0.961) 6.220 29.040 ( 3.604 0.000 0.624) 3.658 29.250 ( 13.243 0.000 -2.840) 13.544 29.354 ( 9.594 0.000 2.761) 9.984 31.495 ( 0.936 0.000 -1.686) 1.928 31.549 ( 2.235 0.000 2.767) 3.557 31.652 ( -2.864 -0.000 -1.967) 3.475 32.053 ( 8.357 0.000 0.210) 8.360 33.342 ( -31.147 -0.000 -22.678) 38.528 33.623 ( -26.853 -0.000 12.389) 29.573 ======================= Grid point 185 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 8.346 -1.864 -6.665) 10.842 1.967 ( 13.466 -5.563 -7.329) 16.310 2.151 ( -0.858 -14.734 -12.700) 19.471 2.485 ( -6.416 10.009 -9.376) 15.141 2.550 ( 8.094 -7.818 15.681) 19.301 2.768 ( 5.507 4.891 14.009) 15.827 3.050 ( 1.344 -7.111 10.030) 12.368 3.324 ( 5.875 7.777 -14.050) 17.100 3.517 ( 0.619 -8.106 -14.162) 16.329 3.750 ( -7.393 -1.124 5.275) 9.151 4.137 ( -1.081 8.884 2.651) 9.334 4.190 ( -5.617 0.727 11.133) 12.491 4.229 ( 9.919 -5.077 -11.211) 15.807 4.310 ( -0.673 -1.315 -5.459) 5.655 4.581 ( 7.027 13.942 2.737) 15.850 4.708 ( -5.504 4.818 -0.173) 7.316 4.814 ( 1.962 3.777 2.732) 5.058 4.948 ( -0.138 6.428 0.542) 6.452 5.026 ( -0.533 2.598 -4.724) 5.418 5.231 ( 4.403 -0.195 3.691) 5.749 5.252 ( 11.396 -0.247 21.182) 24.054 5.328 ( 4.974 -2.554 8.538) 10.206 5.522 ( 1.375 -9.985 7.711) 12.691 5.536 ( -8.183 -0.273 1.179) 8.272 5.665 ( 7.248 -10.294 -2.660) 12.868 5.678 ( -3.079 -4.779 -3.570) 6.713 5.826 ( -5.039 -2.404 -3.641) 6.666 6.023 ( 0.706 4.771 -1.770) 5.138 6.306 ( 2.978 -4.614 -1.192) 5.619 6.456 ( -5.850 -0.074 -2.124) 6.224 6.733 ( -4.252 -3.449 -5.648) 7.866 7.055 ( 3.344 9.027 -9.262) 13.358 7.243 ( 5.071 1.845 1.941) 5.735 7.285 ( 3.257 5.834 0.946) 6.748 7.631 ( -27.753 8.306 -7.249) 29.862 7.815 ( -23.351 0.226 -1.047) 23.376 8.053 ( -7.504 5.169 4.223) 10.043 8.319 ( -10.802 6.412 -1.618) 12.666 8.502 ( -12.069 2.297 4.563) 13.106 8.605 ( -10.823 0.274 -0.677) 10.847 8.743 ( -10.244 -3.462 7.368) 13.085 8.949 ( 1.776 2.222 -8.531) 8.992 9.475 ( 6.192 -1.474 -0.273) 6.371 9.589 ( 7.444 -2.206 9.107) 11.967 9.806 ( 3.113 -1.825 -3.495) 5.024 10.065 ( 6.715 -5.004 11.488) 14.217 10.335 ( 5.857 1.312 -9.724) 11.428 10.500 ( 4.630 -1.972 -2.121) 5.462 10.737 ( 9.165 -1.558 3.936) 10.095 10.795 ( 7.746 -1.604 0.390) 7.920 10.994 ( 4.706 -0.179 -1.130) 4.843 11.063 ( 12.109 -7.281 -7.979) 16.227 12.037 ( 7.410 -0.337 0.651) 7.446 12.129 ( 6.304 -4.259 -0.716) 7.641 12.675 ( 10.265 -2.965 -6.534) 12.524 12.893 ( -3.728 -2.595 3.511) 5.741 12.986 ( -9.097 5.094 1.714) 10.566 13.050 ( -4.429 4.470 3.241) 7.078 14.010 ( -0.952 -1.555 -3.952) 4.352 14.402 ( -4.791 -0.335 4.579) 6.636 14.630 ( -4.772 1.668 -2.089) 5.470 14.788 ( -5.842 5.099 1.133) 7.836 15.252 ( -4.568 1.572 1.611) 5.092 15.363 ( -4.333 2.519 -1.676) 5.285 16.272 ( 2.444 0.747 1.418) 2.923 16.382 ( 3.934 -4.695 -1.386) 6.281 16.905 ( 5.314 -2.228 -0.675) 5.801 16.935 ( 5.528 -2.225 1.481) 6.140 20.810 ( 3.329 2.522 -0.327) 4.190 20.886 ( -0.513 -1.099 0.231) 1.234 20.918 ( 2.998 -0.178 -1.500) 3.357 20.987 ( 0.954 -2.158 4.881) 5.421 26.901 ( -2.756 0.243 -1.880) 3.345 26.935 ( -4.553 -1.853 1.445) 5.123 27.225 ( 3.278 3.177 8.904) 10.006 27.333 ( -0.023 0.155 0.110) 0.192 27.340 ( 0.137 -0.098 0.437) 0.468 27.600 ( 4.253 3.114 0.162) 5.274 28.719 ( 0.703 -2.154 -0.589) 2.341 28.810 ( 0.328 -7.169 1.440) 7.319 29.037 ( 5.054 2.135 1.581) 5.710 29.149 ( 6.753 -2.303 -1.614) 7.316 29.348 ( 8.986 -0.767 -0.103) 9.019 29.490 ( 6.248 -3.645 4.038) 8.284 31.479 ( -0.108 1.011 0.183) 1.033 31.583 ( -0.294 -0.664 -0.478) 0.869 31.664 ( 0.806 -4.011 0.411) 4.111 32.133 ( 8.452 0.363 -1.794) 8.648 32.901 ( -24.872 7.434 -27.069) 37.505 33.344 ( -24.787 8.700 13.423) 29.500 ======================= Grid point 186 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 7.071 -8.245 -0.869) 10.896 2.188 ( 2.012 6.092 -0.026) 6.416 2.281 ( 6.179 -8.411 -4.900) 11.530 2.414 ( 9.118 -17.910 -4.684) 20.636 2.729 ( 5.371 1.870 14.725) 15.785 2.881 ( 10.133 -5.169 5.204) 12.509 3.186 ( 7.009 1.340 -5.122) 8.784 3.214 ( -5.579 -3.658 0.670) 6.704 3.583 ( 0.356 -2.008 -12.540) 12.705 3.730 ( -3.416 -3.681 -4.020) 6.433 3.969 ( 0.616 11.580 0.916) 11.632 4.113 ( -9.387 12.545 11.284) 19.308 4.198 ( -4.817 -2.566 3.992) 6.762 4.383 ( 7.582 1.375 2.924) 8.242 4.461 ( 3.481 6.218 -3.694) 8.027 4.562 ( -0.712 8.103 -6.732) 10.558 4.649 ( -14.513 4.651 -3.454) 15.627 4.894 ( 1.916 3.164 -2.372) 4.394 4.961 ( 3.826 3.795 -2.005) 5.750 5.212 ( -2.958 2.181 3.367) 4.985 5.384 ( 4.119 0.124 7.673) 8.710 5.439 ( -2.361 -0.571 -5.228) 5.765 5.535 ( 8.980 -0.109 11.271) 14.412 5.617 ( -1.649 -1.765 -6.028) 6.494 5.678 ( -8.841 -6.722 6.595) 12.917 5.806 ( 3.789 -1.476 2.548) 4.798 6.005 ( 6.161 -13.907 0.271) 15.213 6.086 ( 6.568 -6.833 -0.957) 9.526 6.335 ( -2.616 1.156 1.218) 3.109 6.515 ( 3.755 -8.498 -6.911) 11.579 6.626 ( -8.004 3.086 -0.193) 8.581 6.921 ( -15.000 5.607 -4.800) 16.718 7.056 ( -0.011 8.054 -0.382) 8.063 7.158 ( 0.117 13.168 1.426) 13.245 7.493 ( -0.716 -0.967 4.057) 4.232 7.676 ( -5.231 -1.391 -6.542) 8.491 7.921 ( -3.238 8.027 5.503) 10.257 8.123 ( -5.246 4.197 -0.590) 6.744 8.335 ( -10.017 5.420 -1.247) 11.457 8.536 ( -7.015 -1.407 -3.932) 8.164 8.721 ( -4.766 0.157 2.722) 5.491 8.907 ( -8.019 -3.841 0.562) 8.909 9.551 ( 4.116 -2.067 0.258) 4.614 9.716 ( 6.453 -1.320 3.977) 7.694 9.859 ( 3.304 -2.100 -1.937) 4.368 10.203 ( 2.765 -3.187 -1.111) 4.363 10.427 ( 5.419 -5.219 8.666) 11.476 10.565 ( 2.203 -2.262 1.093) 3.342 10.844 ( 4.891 -0.425 6.338) 8.017 10.917 ( 9.552 -3.224 -1.395) 10.177 10.995 ( 1.410 1.936 -1.774) 2.980 11.243 ( 12.659 -4.365 -15.224) 20.274 12.151 ( 8.533 -3.448 0.817) 9.239 12.270 ( 8.419 -5.159 -1.013) 9.925 12.732 ( 1.214 2.658 -2.175) 3.643 12.811 ( -9.374 1.307 -0.189) 9.466 12.862 ( -10.125 0.311 -0.263) 10.134 12.924 ( -5.494 6.443 4.101) 9.409 14.046 ( 2.321 -3.522 -2.607) 4.959 14.380 ( -4.917 -1.299 2.051) 5.483 14.533 ( -5.603 3.590 -0.167) 6.656 14.637 ( -4.909 6.754 0.047) 8.349 15.206 ( -1.662 1.301 1.800) 2.774 15.282 ( -1.625 2.724 -2.289) 3.911 16.293 ( -0.592 -0.490 5.975) 6.024 16.482 ( 4.134 -3.845 -4.832) 7.431 17.002 ( 5.272 -3.199 -0.608) 6.196 17.032 ( 4.339 -2.773 0.951) 5.237 20.778 ( 2.470 4.037 -0.697) 4.784 20.895 ( -1.788 -1.362 0.592) 2.324 20.956 ( 3.231 -0.711 -0.632) 3.368 21.021 ( -1.681 -0.818 2.971) 3.510 26.877 ( -1.930 -1.292 -2.952) 3.757 26.933 ( -3.664 -1.972 1.006) 4.281 27.215 ( 1.935 5.277 10.372) 11.797 27.332 ( -0.052 0.003 0.125) 0.135 27.342 ( -0.009 0.110 0.566) 0.576 27.572 ( 2.939 3.669 -2.631) 5.387 28.780 ( 2.087 -3.108 0.390) 3.765 28.914 ( 2.552 -1.671 0.600) 3.108 29.095 ( 3.024 -4.352 2.250) 5.757 29.237 ( 10.277 0.290 -2.526) 10.587 29.445 ( 1.694 -4.730 0.053) 5.024 29.577 ( 0.236 -0.532 5.815) 5.844 31.473 ( -1.737 -0.982 0.369) 2.029 31.587 ( -1.262 -1.026 3.723) 4.063 31.765 ( 2.767 -5.411 -1.723) 6.317 32.129 ( 1.204 5.381 -11.113) 12.406 32.558 ( -6.666 1.962 -18.061) 19.351 33.008 ( -20.436 11.443 13.059) 26.816 ======================= Grid point 187 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.158 4.675 5.639) 8.958 2.156 ( 6.936 0.441 2.809) 7.496 2.414 ( -0.786 -10.086 -8.718) 13.355 2.707 ( 1.912 1.670 2.608) 3.640 2.973 ( 16.593 -15.653 13.930) 26.728 3.027 ( -0.136 -3.515 -5.645) 6.651 3.116 ( -7.085 -0.714 -5.762) 9.160 3.336 ( -2.978 -3.597 1.670) 4.959 3.413 ( 6.521 11.204 -10.903) 16.939 3.718 ( -8.998 9.157 7.558) 14.898 3.833 ( 0.802 0.417 0.541) 1.054 3.944 ( 1.391 1.169 5.332) 5.633 4.076 ( -4.530 19.834 -11.611) 23.425 4.315 ( 3.489 4.869 -15.366) 16.492 4.404 ( -6.793 -11.425 0.745) 13.313 4.513 ( 9.771 3.922 7.845) 13.130 4.565 ( -7.015 -2.092 11.933) 14.000 4.771 ( -4.475 2.304 -8.963) 10.279 5.004 ( 7.181 1.896 0.101) 7.427 5.206 ( 3.213 -0.774 -0.546) 3.350 5.362 ( -4.223 1.902 -0.442) 4.653 5.465 ( 2.687 -1.962 -1.054) 3.490 5.483 ( 2.750 1.853 -2.223) 3.992 5.682 ( -8.622 0.797 7.242) 11.288 5.813 ( 3.720 -10.207 4.816) 11.884 5.923 ( 3.241 -5.556 10.770) 12.545 6.131 ( -2.927 -3.758 -6.378) 7.961 6.208 ( -6.590 -0.498 -6.528) 9.289 6.309 ( 5.057 -2.266 -1.196) 5.669 6.570 ( -5.656 5.514 2.085) 8.170 6.590 ( 0.846 1.203 8.307) 8.436 6.746 ( -0.020 -1.499 -5.556) 5.755 6.927 ( -0.798 9.915 -4.144) 10.776 7.014 ( -2.566 0.004 -0.532) 2.620 7.514 ( 0.673 -0.158 10.131) 10.155 7.697 ( 3.757 -2.072 -0.686) 4.345 7.780 ( 1.532 7.323 -0.732) 7.517 8.106 ( 1.726 -0.855 -1.039) 2.189 8.166 ( -6.538 1.501 -4.244) 7.938 8.456 ( -7.449 0.390 -5.159) 9.069 8.706 ( 2.175 -0.764 -2.028) 3.070 8.923 ( -15.871 -9.141 7.522) 19.800 9.615 ( 2.813 -1.286 0.146) 3.096 9.780 ( 4.154 -0.032 -0.885) 4.247 9.907 ( 2.640 -0.018 0.668) 2.723 10.238 ( -0.764 -2.071 -8.188) 8.480 10.539 ( 0.206 0.898 10.324) 10.365 10.647 ( 0.680 -3.387 8.840) 9.492 10.871 ( 0.472 2.229 0.097) 2.281 10.982 ( 3.034 1.867 5.610) 6.645 11.042 ( 7.761 -1.660 -1.868) 8.154 11.320 ( 11.736 1.623 -17.229) 20.909 12.282 ( 10.198 0.051 0.517) 10.211 12.431 ( 10.123 -1.797 -0.926) 10.323 12.620 ( -3.663 4.530 0.946) 5.902 12.700 ( -3.423 5.758 -0.594) 6.725 12.783 ( -11.207 -4.211 0.669) 11.990 12.836 ( -10.697 -5.039 -0.117) 11.825 14.140 ( 5.054 -4.261 -1.962) 6.895 14.367 ( -5.072 -1.698 1.232) 5.489 14.427 ( -4.180 2.600 0.139) 4.925 14.501 ( -3.812 3.752 -0.527) 5.375 15.188 ( -0.367 0.468 1.254) 1.388 15.231 ( 0.325 1.745 -2.526) 3.087 16.315 ( -2.482 -0.354 9.646) 9.966 16.542 ( 3.398 -1.681 -6.859) 7.837 17.082 ( 3.439 -1.190 -0.426) 3.664 17.097 ( 2.030 -0.794 0.409) 2.218 20.744 ( 3.216 2.699 0.317) 4.210 20.892 ( -2.839 -0.664 0.027) 2.916 20.978 ( 1.788 1.399 0.392) 2.303 21.023 ( -1.506 -1.322 -0.120) 2.008 26.884 ( -1.524 -2.533 -2.448) 3.838 26.939 ( -1.986 -2.040 -0.655) 2.921 27.175 ( 0.736 5.436 10.559) 11.898 27.333 ( -0.068 -0.146 0.064) 0.173 27.341 ( -0.084 0.198 0.311) 0.379 27.523 ( 1.427 2.866 -6.295) 7.062 28.847 ( 2.750 -1.594 1.367) 3.460 28.924 ( 3.790 3.112 -0.378) 4.919 29.200 ( 2.758 -1.831 1.338) 3.571 29.322 ( 9.983 0.256 1.266) 10.066 29.526 ( -2.015 -4.229 -6.866) 8.312 29.558 ( -5.886 -0.052 8.442) 10.292 31.469 ( -3.776 -1.782 -1.548) 4.453 31.631 ( -1.440 -2.500 5.941) 6.605 31.831 ( -1.836 -2.407 -5.822) 6.562 31.994 ( 5.130 3.831 -6.967) 9.462 32.557 ( 3.429 -4.746 -7.920) 9.849 32.710 ( -14.239 8.488 9.699) 19.206 ======================= Grid point 188 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 10.478 7.702 10.734) 16.862 2.213 ( 5.550 1.763 2.777) 6.452 2.516 ( -3.371 -5.427 -8.344) 10.509 2.663 ( 1.132 6.486 4.417) 7.929 2.839 ( -5.918 10.553 -13.893) 18.423 3.028 ( -4.636 3.207 -1.180) 5.759 3.080 ( -5.706 11.195 -5.042) 13.539 3.341 ( -0.043 -1.124 -3.344) 3.529 3.364 ( -2.285 6.772 2.011) 7.425 3.615 ( -8.138 0.471 -9.962) 12.872 3.667 ( 1.234 -5.981 3.629) 7.104 3.927 ( -0.393 -0.323 -9.612) 9.625 4.037 ( 12.016 -0.351 8.575) 14.766 4.394 ( 13.083 -5.158 -0.143) 14.064 4.457 ( -14.233 -2.410 3.370) 14.824 4.543 ( 7.669 7.106 6.041) 12.075 4.627 ( 3.027 -9.543 3.959) 10.766 4.791 ( 1.041 -6.575 -0.511) 6.677 5.002 ( 1.556 3.090 -0.228) 3.467 5.208 ( -0.268 0.772 -5.540) 5.600 5.375 ( 0.445 -2.247 3.392) 4.093 5.467 ( 6.397 0.353 0.735) 6.449 5.535 ( -8.469 5.115 7.407) 12.359 5.630 ( 5.077 -7.041 -1.025) 8.740 5.876 ( -2.632 2.438 -2.380) 4.306 6.041 ( -9.830 1.204 -7.092) 12.181 6.116 ( 0.390 -3.857 5.003) 6.330 6.242 ( 1.785 -14.736 1.527) 14.922 6.350 ( -4.472 10.916 -0.309) 11.801 6.404 ( -0.773 -1.072 8.104) 8.211 6.569 ( 2.797 7.195 9.498) 12.240 6.659 ( 3.545 6.996 -4.631) 9.108 6.851 ( -6.641 -2.398 -4.679) 8.471 7.039 ( -2.051 -5.894 -9.119) 11.050 7.572 ( 2.019 1.403 9.070) 9.398 7.703 ( 3.973 5.083 -2.088) 6.781 7.833 ( 10.270 -6.092 3.489) 12.440 8.087 ( -1.243 -5.602 -5.741) 8.117 8.231 ( 2.530 -6.457 -1.372) 7.069 8.374 ( -9.608 -2.775 -4.143) 10.825 8.778 ( 8.050 -2.890 -0.716) 8.583 8.941 ( -17.653 -8.988 7.209) 21.081 9.635 ( 1.611 1.953 1.144) 2.778 9.791 ( 2.578 1.579 -5.111) 5.938 9.910 ( 0.923 2.315 3.366) 4.188 10.186 ( -4.317 1.353 -9.735) 10.735 10.527 ( -1.790 3.558 10.563) 11.289 10.681 ( -1.880 1.107 2.189) 3.090 10.825 ( -0.115 4.056 5.725) 7.017 10.981 ( 1.393 3.712 1.666) 4.300 11.091 ( 6.378 3.630 -0.466) 7.353 11.290 ( 8.035 6.677 -13.337) 16.942 12.286 ( 5.439 8.968 0.866) 10.524 12.361 ( -0.631 11.066 -0.152) 11.085 12.639 ( 2.748 -5.260 0.644) 5.970 12.715 ( 3.361 -5.931 -0.749) 6.858 12.778 ( -7.546 -5.820 0.981) 9.580 12.871 ( -7.181 -9.518 -2.045) 12.097 14.226 ( 5.038 -0.332 -1.301) 5.214 14.322 ( -5.558 0.991 0.843) 5.709 14.421 ( 0.671 -4.797 -0.449) 4.864 14.476 ( -3.116 -4.382 -0.131) 5.378 15.191 ( -0.154 -0.652 0.492) 0.831 15.213 ( 1.220 0.129 -2.479) 2.766 16.325 ( -3.235 0.665 11.591) 12.052 16.549 ( 2.429 1.007 -7.489) 7.937 17.087 ( 0.359 2.998 0.389) 3.044 17.095 ( 0.886 2.421 -0.468) 2.620 20.761 ( 4.129 0.053 1.538) 4.406 20.863 ( -3.453 0.296 -0.421) 3.491 20.959 ( 1.021 2.183 0.178) 2.417 21.027 ( -1.325 -0.924 -2.205) 2.734 26.899 ( -4.838 -2.856 1.901) 5.931 26.958 ( 1.634 -1.613 -5.297) 5.773 27.149 ( 2.377 3.408 9.899) 10.736 27.334 ( -0.215 -0.048 -0.317) 0.386 27.338 ( 0.064 0.098 0.239) 0.266 27.461 ( -0.068 1.956 -9.382) 9.584 28.882 ( 0.402 0.302 2.049) 2.110 28.901 ( 4.315 3.556 -1.605) 5.817 29.208 ( 5.488 5.117 2.033) 7.774 29.377 ( -0.056 5.210 0.282) 5.218 29.446 ( -5.029 -0.041 6.308) 8.068 29.607 ( -0.680 -4.393 -7.703) 8.894 31.451 ( -4.457 -1.417 -0.501) 4.704 31.600 ( -2.569 1.302 -10.259) 10.655 31.907 ( -0.356 -6.574 13.340) 14.876 32.025 ( 8.840 2.295 -0.939) 9.181 32.482 ( -8.609 3.712 12.663) 15.755 32.750 ( 3.325 -13.499 -11.971) 18.346 ======================= Grid point 189 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 11.063 11.324 6.132) 16.978 2.191 ( 1.228 5.775 -4.031) 7.148 2.354 ( 0.182 17.068 -1.097) 17.104 2.465 ( -9.386 4.333 -9.849) 14.279 2.737 ( -6.990 1.354 2.281) 7.477 2.887 ( 6.157 11.340 -4.618) 13.706 2.968 ( 14.455 0.279 0.790) 14.479 3.075 ( -12.452 2.560 -7.372) 14.695 3.487 ( -1.828 -6.710 8.371) 10.883 3.676 ( -3.219 -7.779 -6.163) 10.433 3.741 ( -4.273 -5.240 -1.207) 6.868 3.911 ( 4.657 -4.400 -13.711) 15.134 4.243 ( 8.570 -4.926 7.585) 12.460 4.339 ( -15.373 -2.292 3.119) 15.852 4.437 ( -2.586 6.900 3.485) 8.151 4.524 ( 15.724 5.399 -4.947) 17.345 4.817 ( -4.814 7.774 8.741) 12.649 4.912 ( 2.738 -4.449 0.573) 5.256 4.971 ( 6.416 -3.249 6.372) 9.609 5.132 ( -2.890 3.917 -7.336) 8.804 5.405 ( -3.422 0.635 -0.741) 3.559 5.421 ( 2.619 0.430 2.254) 3.483 5.581 ( 2.469 -0.410 7.133) 7.559 5.741 ( -1.430 -1.321 0.828) 2.115 5.844 ( -1.338 -1.848 -0.983) 2.484 5.951 ( -2.896 -8.293 -6.408) 10.874 6.083 ( -4.427 10.771 5.470) 12.866 6.167 ( 3.298 6.085 -2.227) 7.271 6.327 ( -2.854 2.672 7.535) 8.488 6.522 ( 3.049 -4.480 -5.907) 8.017 6.585 ( 7.590 -2.205 4.346) 9.020 6.779 ( 3.964 -10.129 3.857) 11.541 6.807 ( -6.555 -7.681 -0.047) 10.098 7.033 ( -6.537 -4.668 -10.033) 12.852 7.578 ( -1.073 -0.762 2.917) 3.201 7.652 ( 3.723 2.910 -3.748) 6.032 8.102 ( 8.837 -11.598 7.330) 16.320 8.223 ( -2.757 -12.455 -4.382) 13.489 8.328 ( -8.328 -5.776 -0.692) 10.159 8.378 ( 3.846 -7.131 -4.700) 9.367 8.938 ( -15.674 -7.856 4.539) 18.110 8.948 ( 12.793 -4.640 3.089) 13.955 9.585 ( 0.188 6.000 3.136) 6.773 9.719 ( -0.545 5.496 -9.032) 10.587 9.892 ( 0.966 2.987 7.003) 7.674 10.063 ( -4.008 3.751 -8.869) 10.430 10.461 ( -4.275 7.090 13.072) 15.474 10.626 ( -0.770 3.306 -1.891) 3.885 10.788 ( 2.562 3.475 3.706) 5.690 10.889 ( 0.798 8.180 -3.475) 8.924 11.044 ( 4.601 8.127 1.379) 9.441 11.150 ( 1.374 10.718 -9.530) 14.408 12.152 ( -0.581 9.262 2.151) 9.526 12.193 ( 1.207 9.006 -1.761) 9.256 12.780 ( -0.133 -2.761 2.281) 3.584 12.804 ( 0.614 -8.289 -0.310) 8.318 12.868 ( 0.561 -6.941 1.861) 7.208 12.954 ( -0.593 -5.879 -6.183) 8.552 14.258 ( -3.029 -0.170 0.684) 3.110 14.280 ( 3.996 -0.423 -1.322) 4.230 14.536 ( -2.784 -7.614 1.161) 8.190 14.556 ( 1.137 -7.160 -0.630) 7.277 15.214 ( -0.625 -2.804 0.072) 2.874 15.236 ( 1.484 -2.601 -2.367) 3.818 16.318 ( -2.895 1.759 11.179) 11.681 16.502 ( 1.732 3.767 -6.817) 7.979 17.012 ( -0.701 5.750 0.958) 5.871 17.033 ( 0.565 5.327 -1.037) 5.456 20.794 ( -3.430 -0.530 2.847) 4.489 20.841 ( 3.585 0.765 -1.209) 3.860 20.936 ( 1.986 2.440 1.593) 3.526 21.007 ( -2.016 -0.332 -5.376) 5.751 26.898 ( -6.450 -2.533 3.482) 7.755 26.975 ( 2.291 -0.228 -3.046) 3.819 27.192 ( 5.777 0.109 6.018) 8.343 27.326 ( -0.461 0.178 -2.095) 2.152 27.341 ( 0.195 -0.046 0.275) 0.340 27.393 ( -1.115 1.028 -9.705) 9.823 28.850 ( -3.345 1.812 1.439) 4.067 28.887 ( 4.871 3.142 -2.241) 6.214 29.176 ( 2.957 6.169 3.422) 7.650 29.210 ( -4.702 7.302 0.307) 8.690 29.446 ( -0.671 2.587 5.288) 5.925 29.596 ( 1.977 2.788 -9.925) 10.497 31.432 ( -4.067 -1.031 1.642) 4.505 31.538 ( 0.655 0.656 -7.752) 7.807 31.977 ( -5.510 1.164 6.559) 8.645 32.043 ( 8.518 5.068 -0.552) 9.927 32.592 ( -1.490 -15.723 23.797) 28.561 32.998 ( 0.412 -20.433 -15.404) 25.592 ======================= Grid point 190 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 7.863 14.932 2.756) 17.099 1.979 ( 0.751 9.219 -4.591) 10.327 2.241 ( -10.031 5.088 -5.108) 12.353 2.379 ( 16.869 0.628 9.503) 19.372 2.641 ( -9.150 -2.255 -11.050) 14.523 2.837 ( 8.231 4.817 -0.135) 9.538 2.951 ( -6.463 -3.992 -10.444) 12.915 3.197 ( 18.809 -3.097 3.344) 19.353 3.552 ( -10.754 7.940 3.924) 13.931 3.574 ( -3.342 -1.406 8.525) 9.263 3.932 ( 2.750 -13.658 -4.681) 14.697 3.996 ( 4.686 -4.811 -10.346) 12.335 4.232 ( -15.098 -2.653 5.553) 16.304 4.262 ( -12.032 -3.938 -0.765) 12.683 4.443 ( 9.386 10.615 11.309) 18.129 4.569 ( 9.103 4.427 -0.476) 10.133 4.650 ( 5.139 3.139 5.729) 8.312 4.908 ( 7.140 6.384 -4.247) 10.477 4.981 ( -6.069 2.772 -8.214) 10.583 5.085 ( 4.505 1.647 -4.049) 6.277 5.369 ( -1.243 3.104 -2.601) 4.236 5.410 ( -1.750 -0.949 -2.016) 2.834 5.553 ( -8.932 1.442 7.063) 11.478 5.649 ( -1.249 9.821 0.504) 9.913 5.833 ( -4.803 4.368 10.512) 12.355 5.985 ( -0.103 0.089 3.114) 3.117 6.097 ( 3.962 2.916 -2.925) 5.723 6.147 ( 5.060 -5.476 0.655) 7.484 6.356 ( 1.269 -2.554 4.489) 5.319 6.537 ( -0.471 -4.084 -12.620) 13.273 6.650 ( -7.737 -3.896 -5.053) 10.028 6.781 ( 9.984 -1.202 4.652) 11.080 7.027 ( -3.647 -1.639 -5.031) 6.427 7.102 ( 6.271 -3.236 2.738) 7.569 7.697 ( -4.196 -19.785 7.581) 21.599 7.764 ( -7.453 -22.781 -4.098) 24.317 8.273 ( -14.371 -10.602 -4.459) 18.407 8.388 ( -3.409 -10.971 1.161) 11.547 8.432 ( 2.765 -10.943 3.975) 11.967 8.549 ( 8.847 -7.451 -2.185) 11.771 8.928 ( -12.992 -6.375 0.845) 14.497 9.159 ( 10.711 -3.619 4.595) 12.204 9.480 ( -0.101 8.207 5.194) 9.712 9.558 ( -0.804 8.197 -7.997) 11.480 9.870 ( 0.035 4.447 6.701) 8.043 9.949 ( 0.436 4.322 -5.734) 7.194 10.319 ( -5.056 9.284 13.712) 17.314 10.558 ( 4.140 5.405 -5.391) 8.684 10.712 ( -1.150 9.571 -1.199) 9.714 10.808 ( 7.969 2.643 -0.551) 8.414 10.918 ( -2.868 11.212 -8.931) 14.618 10.954 ( 4.724 8.744 1.852) 10.109 12.020 ( -0.348 7.287 2.015) 7.568 12.077 ( 3.206 6.829 -2.036) 7.814 12.762 ( 0.891 5.771 6.000) 8.372 12.854 ( 0.276 5.180 -7.648) 9.241 13.011 ( -0.469 -10.607 0.205) 10.619 13.036 ( 0.994 -6.177 -1.784) 6.506 14.220 ( -5.483 -0.902 -1.293) 5.705 14.350 ( 6.774 -0.707 -1.616) 7.000 14.635 ( -3.603 -8.168 2.119) 9.175 14.676 ( -0.281 -6.001 0.852) 6.068 15.273 ( -2.159 -5.711 0.109) 6.106 15.310 ( 0.640 -5.953 -1.809) 6.254 16.297 ( -1.967 2.385 8.211) 8.773 16.418 ( 2.220 5.784 -4.828) 7.854 16.915 ( 0.176 5.731 0.997) 5.820 16.941 ( 1.338 5.977 -1.018) 6.209 20.766 ( -3.747 -0.212 1.959) 4.234 20.838 ( 1.281 2.785 -0.126) 3.068 20.942 ( 4.202 2.447 3.289) 5.871 20.966 ( -0.295 0.662 -7.592) 7.626 26.896 ( -4.412 -2.194 3.535) 6.065 26.991 ( 1.432 0.071 0.944) 1.717 27.273 ( 3.369 -1.400 0.013) 3.649 27.294 ( -0.293 0.371 -6.402) 6.420 27.345 ( -0.135 -0.020 -0.522) 0.539 27.355 ( 1.028 0.176 -1.436) 1.775 28.794 ( -2.705 1.229 0.048) 2.971 28.867 ( 2.365 2.975 -1.768) 4.191 29.026 ( -5.708 5.182 0.876) 7.758 29.148 ( 5.100 7.062 2.338) 9.019 29.385 ( 1.645 6.813 4.449) 8.302 29.482 ( 3.689 9.961 -8.243) 13.445 31.422 ( -2.989 -0.922 3.229) 4.495 31.530 ( 2.987 0.135 -3.950) 4.954 31.884 ( -5.599 3.649 1.005) 6.758 32.020 ( 7.158 6.228 -0.624) 9.508 33.032 ( -4.168 -27.167 25.153) 37.257 33.287 ( -5.478 -24.403 -16.670) 30.057 ======================= Grid point 194 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 14.220 0.000 -12.948) 19.232 1.964 ( 2.361 0.000 -0.801) 2.493 2.048 ( 18.795 0.000 5.243) 19.513 2.444 ( -8.970 -0.000 -13.659) 16.341 2.648 ( 12.513 0.000 11.176) 16.778 2.995 ( -5.210 -0.000 15.836) 16.671 3.009 ( 14.784 0.000 14.710) 20.856 3.219 ( -13.640 -0.000 -19.498) 23.795 3.498 ( 11.144 0.000 -18.442) 21.547 3.658 ( -9.456 -0.000 2.634) 9.816 4.159 ( -7.459 -0.000 4.997) 8.978 4.188 ( -12.001 -0.000 18.010) 21.642 4.251 ( 15.898 0.000 -18.762) 24.591 4.317 ( 3.158 0.000 3.037) 4.382 4.685 ( 0.983 0.000 1.492) 1.786 4.831 ( 3.378 0.000 4.418) 5.561 4.886 ( -1.733 -0.000 0.316) 1.762 4.980 ( -5.496 -0.000 -14.226) 15.251 5.020 ( -4.863 -0.000 -0.667) 4.908 5.246 ( -9.231 -0.000 -2.676) 9.611 5.295 ( -0.666 -0.000 2.005) 2.113 5.369 ( 2.710 0.000 6.123) 6.696 5.419 ( 5.787 0.000 9.421) 11.056 5.562 ( 12.346 0.000 21.544) 24.831 5.634 ( -0.206 -0.000 1.658) 1.670 5.700 ( 10.694 0.000 -8.599) 13.723 5.766 ( 0.406 0.000 0.616) 0.738 6.106 ( 2.269 0.000 6.623) 7.001 6.246 ( 0.304 0.000 -5.077) 5.086 6.405 ( -8.103 -0.000 -0.751) 8.137 6.664 ( 1.321 0.000 -4.454) 4.646 7.108 ( -14.103 -0.000 -8.032) 16.230 7.259 ( 8.841 0.000 -7.790) 11.783 7.371 ( 2.213 0.000 0.064) 2.214 7.507 ( -22.550 -0.000 -7.022) 23.618 7.508 ( -14.302 -0.000 0.950) 14.334 8.060 ( -4.757 -0.000 8.248) 9.521 8.284 ( -7.269 -0.000 -3.136) 7.917 8.409 ( -12.047 -0.000 -2.921) 12.396 8.449 ( -17.432 -0.000 8.684) 19.475 8.698 ( -3.692 -0.000 9.054) 9.778 8.988 ( 4.991 0.000 -11.051) 12.126 9.535 ( 7.149 0.000 0.198) 7.152 9.672 ( 6.702 0.000 10.745) 12.664 9.795 ( 1.104 0.000 -3.479) 3.650 10.125 ( 6.531 0.000 9.077) 11.182 10.353 ( 5.360 0.000 -12.006) 13.149 10.549 ( 5.968 0.000 1.488) 6.150 10.804 ( 7.874 0.000 1.082) 7.948 10.868 ( 7.640 0.000 1.881) 7.868 11.035 ( 1.706 0.000 -1.340) 2.169 11.042 ( 8.874 0.000 -7.774) 11.798 12.121 ( 5.093 0.000 1.703) 5.370 12.127 ( 7.631 0.000 -2.587) 8.058 12.718 ( 5.187 0.000 -4.161) 6.650 12.813 ( -9.282 -0.000 -0.091) 9.283 12.948 ( -6.774 -0.000 0.791) 6.820 13.099 ( -1.219 -0.000 5.430) 5.565 13.982 ( 1.278 0.000 -3.359) 3.593 14.356 ( -7.406 -0.000 4.218) 8.523 14.606 ( -2.522 -0.000 -1.516) 2.943 14.775 ( -6.358 -0.000 0.867) 6.417 15.234 ( -3.045 -0.000 2.080) 3.688 15.338 ( -3.411 -0.000 -1.914) 3.912 16.337 ( -0.792 -0.000 4.402) 4.473 16.343 ( 6.482 0.000 -4.904) 8.128 16.936 ( 5.634 0.000 -0.682) 5.676 16.974 ( 5.151 0.000 1.345) 5.324 20.866 ( 2.966 0.000 -0.598) 3.026 20.873 ( -1.938 -0.000 2.170) 2.909 20.913 ( 1.376 0.000 -2.551) 2.899 21.009 ( 1.802 0.000 4.472) 4.821 26.853 ( -6.392 -0.000 2.409) 6.830 26.897 ( -0.147 -0.000 -4.243) 4.246 27.318 ( 1.974 0.000 5.987) 6.304 27.337 ( 0.025 0.000 0.016) 0.029 27.353 ( 1.571 0.000 7.434) 7.598 27.671 ( 4.160 0.000 -0.488) 4.188 28.713 ( -1.009 -0.000 1.909) 2.160 28.728 ( 0.900 0.000 -1.204) 1.503 29.122 ( 3.829 0.000 1.545) 4.129 29.169 ( 6.755 0.000 -0.626) 6.784 29.463 ( 11.774 0.000 -2.626) 12.064 29.522 ( 3.342 0.000 8.217) 8.870 31.468 ( -1.638 -0.000 -4.834) 5.104 31.595 ( 0.554 0.000 1.148) 1.275 31.623 ( -0.201 -0.000 2.725) 2.732 32.214 ( 7.453 0.000 -5.333) 9.165 32.640 ( -18.038 -0.000 -25.414) 31.165 33.219 ( -25.322 -0.000 12.090) 28.060 ======================= Grid point 195 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 11.994 -1.748 2.907) 12.465 2.101 ( 2.090 -8.938 -4.059) 10.037 2.263 ( -5.034 5.456 -8.611) 11.369 2.384 ( 25.884 -8.621 12.603) 30.053 2.814 ( 10.862 -2.036 4.874) 12.078 2.989 ( -6.056 -0.816 6.982) 9.279 3.110 ( -10.943 -8.247 -12.784) 18.740 3.193 ( 12.281 1.258 12.014) 17.227 3.520 ( 11.466 -1.323 -15.595) 19.402 3.619 ( -4.526 -2.344 0.101) 5.098 4.061 ( -9.491 2.396 5.638) 11.296 4.130 ( -14.288 3.772 7.202) 16.439 4.219 ( -3.247 5.359 2.011) 6.581 4.389 ( 4.405 -2.796 -9.044) 10.441 4.607 ( -2.164 6.969 -5.529) 9.156 4.705 ( -2.491 9.138 -3.771) 10.194 4.728 ( 0.528 14.066 8.033) 16.207 4.922 ( -4.482 -1.881 -13.452) 14.303 5.041 ( 5.751 0.162 1.312) 5.901 5.157 ( -6.254 0.820 1.993) 6.615 5.299 ( -4.071 -4.956 0.522) 6.435 5.424 ( -6.032 0.677 3.936) 7.235 5.512 ( 0.462 -3.816 6.752) 7.770 5.675 ( 6.051 1.646 -2.442) 6.730 5.692 ( 5.776 -0.284 6.936) 9.030 5.822 ( 8.816 -2.995 -0.067) 9.311 5.886 ( 6.792 -8.196 0.673) 10.666 6.100 ( 8.027 0.737 1.680) 8.234 6.297 ( -6.851 -1.801 5.634) 9.051 6.402 ( 5.364 -7.840 -0.832) 9.536 6.623 ( -2.531 4.548 -5.058) 7.258 6.860 ( -15.607 5.446 -4.143) 17.041 7.181 ( -4.469 8.582 -1.549) 9.799 7.303 ( -1.879 5.590 -4.302) 7.300 7.421 ( 0.119 -6.096 -0.836) 6.154 7.514 ( -6.925 -7.012 -2.977) 10.295 8.025 ( -3.168 4.919 10.337) 11.878 8.152 ( -3.991 4.866 -2.350) 6.717 8.300 ( -7.759 0.486 -5.342) 9.433 8.383 ( -11.640 -4.147 4.813) 13.261 8.682 ( -3.859 1.878 9.352) 10.289 8.937 ( 3.705 5.823 -10.968) 12.959 9.585 ( 4.736 0.557 1.177) 4.912 9.773 ( 5.154 -0.018 0.849) 5.224 9.825 ( 0.818 -4.035 4.161) 5.853 10.200 ( 3.878 -0.191 -4.961) 6.300 10.416 ( 5.025 -4.783 6.902) 9.786 10.602 ( 4.935 0.800 2.879) 5.769 10.898 ( 4.990 -2.582 -0.185) 5.621 10.929 ( 4.996 0.759 1.428) 5.251 11.021 ( -0.142 -0.556 -0.712) 0.915 11.178 ( 7.501 -8.388 -11.676) 16.216 12.178 ( 6.733 -2.180 -0.012) 7.077 12.241 ( 5.582 -5.414 -1.208) 7.870 12.703 ( -6.442 0.096 -0.748) 6.486 12.735 ( -7.803 -1.052 -0.979) 7.934 12.874 ( 0.682 6.190 0.316) 6.235 13.030 ( -4.204 7.260 3.191) 8.976 14.017 ( 4.474 -2.322 -2.455) 5.607 14.301 ( -8.176 -1.102 1.958) 8.479 14.559 ( -1.557 3.147 0.214) 3.518 14.683 ( -5.354 4.382 0.218) 6.922 15.215 ( -1.397 0.703 2.233) 2.726 15.294 ( -1.257 1.475 -2.396) 3.081 16.316 ( -0.681 1.258 5.058) 5.257 16.432 ( 3.758 -4.231 -4.784) 7.410 17.004 ( 5.015 -2.158 -0.585) 5.491 17.035 ( 3.410 -1.760 0.855) 3.932 20.852 ( 0.386 1.847 -1.104) 2.186 20.866 ( -1.434 0.125 1.778) 2.288 20.946 ( 2.433 -1.640 -0.661) 3.008 21.029 ( 0.080 0.491 2.467) 2.517 26.818 ( -4.717 -1.198 2.116) 5.307 26.888 ( 0.274 -0.871 -4.766) 4.853 27.330 ( 0.591 0.548 1.292) 1.523 27.335 ( 0.031 0.310 0.279) 0.418 27.381 ( 1.549 3.984 12.238) 12.962 27.663 ( 3.214 4.426 -2.299) 5.934 28.737 ( 0.887 -3.609 0.993) 3.847 28.811 ( -0.646 -7.845 0.090) 7.872 29.148 ( 4.517 1.321 1.986) 5.108 29.251 ( 4.953 -3.452 -2.801) 6.655 29.511 ( 6.722 3.900 3.398) 8.482 29.596 ( 2.075 -0.707 4.835) 5.309 31.432 ( -2.716 -0.373 -3.710) 4.614 31.585 ( -1.136 0.144 2.823) 3.047 31.684 ( 0.332 -4.570 -0.038) 4.582 32.141 ( -6.010 3.426 -20.127) 21.283 32.512 ( 6.422 0.564 -7.915) 10.208 32.984 ( -22.662 5.364 11.005) 25.758 ======================= Grid point 196 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 1.790 -1.340 2.918) 3.676 2.181 ( -2.531 -4.075 0.535) 4.827 2.282 ( 11.296 -6.000 -0.330) 12.795 2.770 ( 11.569 -6.528 13.007) 18.591 2.885 ( -6.948 -2.614 -12.195) 14.276 3.017 ( 3.959 -2.871 3.897) 6.254 3.089 ( -0.514 -0.996 -3.658) 3.826 3.345 ( 13.162 1.348 14.330) 19.504 3.557 ( -5.691 6.125 -6.425) 10.544 3.668 ( 5.900 -6.695 -8.515) 12.334 3.924 ( -4.897 -0.707 -4.792) 6.888 3.943 ( -11.194 5.939 19.257) 23.052 4.178 ( -4.659 0.920 10.024) 11.092 4.311 ( -2.954 5.759 -14.633) 16.001 4.403 ( -0.924 10.036 -12.470) 16.034 4.543 ( 0.576 7.618 4.712) 8.976 4.627 ( 1.409 1.263 1.589) 2.471 4.787 ( -5.012 3.859 -15.970) 17.177 5.096 ( 1.328 1.091 4.291) 4.623 5.159 ( 2.461 -1.586 -2.583) 3.904 5.333 ( -1.264 -2.137 3.003) 3.896 5.411 ( -2.465 -3.518 4.039) 5.896 5.532 ( -1.778 1.394 1.380) 2.647 5.671 ( 2.886 1.626 -2.700) 4.273 5.804 ( 5.546 -2.690 8.188) 10.249 5.887 ( 3.239 -3.413 2.676) 5.413 6.004 ( -3.728 -3.382 -3.714) 6.255 6.224 ( -3.977 5.811 -4.238) 8.219 6.301 ( 9.224 -5.044 -1.305) 10.594 6.560 ( 2.985 -4.598 -0.611) 5.516 6.594 ( 0.054 -1.619 4.279) 4.575 6.670 ( -3.378 -2.137 1.375) 4.227 7.058 ( -3.431 7.184 0.562) 7.981 7.111 ( -1.491 10.273 -5.811) 11.896 7.480 ( -7.062 -4.664 11.043) 13.913 7.621 ( 3.278 -8.666 -6.180) 11.137 7.904 ( -2.435 7.896 6.985) 10.819 8.110 ( 0.009 0.486 0.087) 0.494 8.180 ( -0.458 5.720 -4.214) 7.119 8.363 ( -6.473 -2.690 -6.405) 9.495 8.650 ( -6.725 -0.687 10.462) 12.456 8.834 ( 2.450 4.092 -8.311) 9.582 9.630 ( 3.318 -0.745 1.824) 3.859 9.792 ( 1.320 -0.653 -5.100) 5.308 9.915 ( 0.207 -2.068 7.554) 7.835 10.194 ( 1.924 0.023 -10.664) 10.836 10.586 ( 1.402 -3.607 14.688) 15.190 10.641 ( 2.127 -0.422 5.855) 6.244 10.885 ( -2.312 1.744 -0.971) 3.054 11.004 ( 2.949 -2.661 -2.444) 4.664 11.075 ( 2.422 -2.755 5.405) 6.533 11.318 ( 7.493 -5.573 -16.615) 19.060 12.324 ( 8.531 -6.619 0.297) 10.802 12.406 ( 4.957 -9.261 -1.246) 10.578 12.638 ( -6.741 -0.627 0.273) 6.775 12.676 ( -7.843 -1.330 -0.429) 7.966 12.746 ( 1.321 10.953 1.039) 11.081 12.829 ( -5.226 11.575 0.694) 12.719 14.118 ( 7.290 -4.066 -2.091) 8.605 14.256 ( -8.292 -2.486 0.435) 8.668 14.484 ( -0.203 4.885 1.059) 5.002 14.549 ( -3.913 6.057 -0.317) 7.218 15.201 ( -0.527 0.844 1.806) 2.062 15.254 ( 0.537 1.751 -2.752) 3.306 16.320 ( -2.740 -0.363 9.049) 9.462 16.504 ( 2.959 -3.256 -7.100) 8.353 17.081 ( 3.073 -2.375 -0.472) 3.912 17.091 ( 1.068 -1.932 0.466) 2.256 20.820 ( 2.353 2.862 -0.202) 3.710 20.857 ( -2.798 -0.576 1.045) 3.042 20.992 ( 1.822 -1.415 -0.626) 2.390 21.013 ( -0.865 1.331 0.853) 1.802 26.815 ( -4.132 -2.093 3.010) 5.524 26.899 ( 2.161 -1.625 -6.112) 6.683 27.318 ( 0.823 4.093 6.441) 7.676 27.332 ( -0.032 0.026 0.164) 0.169 27.355 ( -0.214 2.873 5.980) 6.638 27.587 ( 2.076 5.647 -5.624) 8.236 28.826 ( 0.963 -4.172 3.016) 5.237 28.922 ( -0.023 -5.278 -2.314) 5.763 29.198 ( 4.518 -1.720 2.997) 5.688 29.356 ( 1.863 -6.758 -5.320) 8.800 29.498 ( 1.317 4.622 7.049) 8.532 29.593 ( 1.723 4.221 1.448) 4.783 31.406 ( -3.416 -1.057 -1.127) 3.749 31.587 ( -3.027 -1.476 -1.180) 3.569 31.749 ( -0.911 -3.849 -0.157) 3.959 32.002 ( -0.415 -0.969 -13.569) 13.610 32.579 ( 12.402 1.396 -4.068) 13.127 32.722 ( -18.223 6.900 9.400) 21.634 ======================= Grid point 197 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.825 -3.472 4.693) 5.896 2.231 ( -0.143 -3.375 0.310) 3.392 2.489 ( 11.367 -2.598 5.005) 12.689 2.699 ( -17.600 1.811 -14.792) 23.062 2.903 ( 4.788 2.657 13.336) 14.416 3.081 ( -1.101 1.033 4.127) 4.394 3.118 ( 7.550 3.449 -6.609) 10.610 3.332 ( -0.593 2.274 -7.779) 8.127 3.438 ( -8.622 4.834 3.319) 10.427 3.650 ( 1.664 8.283 -5.959) 10.339 3.701 ( -6.579 9.174 7.281) 13.434 3.973 ( 1.288 8.510 -6.446) 10.753 4.173 ( -8.625 -4.443 5.162) 10.990 4.213 ( 12.011 -2.625 10.701) 16.299 4.432 ( 8.747 -7.075 -5.282) 12.428 4.569 ( -0.881 -8.867 1.450) 9.028 4.594 ( -5.920 -0.148 -6.216) 8.586 4.682 ( 4.091 -0.457 -8.480) 9.427 5.054 ( -3.721 3.798 4.065) 6.693 5.161 ( -0.067 0.161 -6.853) 6.855 5.405 ( 6.585 -0.764 2.356) 7.035 5.466 ( -1.914 -3.830 -2.827) 5.131 5.532 ( -0.529 -0.930 8.132) 8.202 5.655 ( 5.847 1.919 -1.441) 6.321 5.916 ( 1.527 0.436 0.046) 1.589 5.945 ( -7.803 1.794 -3.776) 8.852 6.042 ( 1.811 -10.719 3.808) 11.518 6.092 ( 2.171 -1.210 -2.470) 3.504 6.387 ( 0.320 -0.297 6.511) 6.526 6.449 ( -6.129 5.157 0.400) 8.020 6.742 ( 0.174 -0.038 -0.647) 0.671 6.771 ( 6.920 0.134 2.092) 7.231 6.832 ( -6.421 9.388 -1.398) 11.460 6.964 ( 1.491 4.517 -4.106) 6.283 7.562 ( -5.178 -5.617 11.674) 13.951 7.781 ( 4.308 -8.265 -5.056) 10.603 7.817 ( 2.260 5.233 7.627) 9.522 8.007 ( -4.235 2.883 -7.283) 8.904 8.198 ( 5.017 -1.672 0.609) 5.323 8.288 ( -1.931 1.324 -9.459) 9.745 8.676 ( -9.824 -6.187 10.465) 15.630 8.832 ( 7.469 -1.802 -4.319) 8.814 9.674 ( 1.968 -0.036 2.530) 3.206 9.785 ( -0.577 -0.618 -7.119) 7.169 9.949 ( -1.717 0.109 8.231) 8.409 10.152 ( -0.764 1.389 -10.032) 10.157 10.613 ( 0.567 3.321 8.120) 8.791 10.692 ( -1.027 0.101 4.199) 4.324 10.853 ( -4.091 -0.053 6.813) 7.947 11.028 ( -0.061 0.688 -0.205) 0.720 11.154 ( 1.398 -1.744 2.744) 3.539 11.361 ( 5.255 0.373 -17.373) 18.154 12.499 ( -10.721 6.473 0.816) 12.550 12.516 ( 12.992 2.611 -0.815) 13.277 12.600 ( 0.521 -0.114 0.833) 0.989 12.621 ( -1.802 -3.496 -1.113) 4.088 12.648 ( -4.937 -3.935 1.505) 6.490 12.679 ( 4.382 -2.586 -1.216) 5.231 14.231 ( -6.444 -2.929 0.233) 7.083 14.255 ( 7.675 -3.868 -2.196) 8.871 14.418 ( -0.972 3.467 1.515) 3.906 14.441 ( -0.325 2.509 -0.589) 2.597 15.191 ( -0.303 0.540 1.033) 1.204 15.228 ( 1.336 1.277 -2.764) 3.324 16.335 ( -4.040 -0.580 11.573) 12.272 16.539 ( 2.297 -1.352 -8.105) 8.532 17.112 ( -0.807 -0.071 0.387) 0.898 17.121 ( 0.764 -0.205 -0.424) 0.898 20.804 ( -0.378 1.622 1.913) 2.537 20.841 ( 0.302 -0.039 -1.335) 1.369 20.989 ( -0.547 0.754 0.679) 1.153 21.013 ( 1.103 0.302 -1.376) 1.789 26.820 ( -5.008 -2.038 4.342) 6.935 26.939 ( 4.838 -2.028 -6.902) 8.669 27.271 ( 0.390 4.916 9.870) 11.033 27.332 ( -0.065 0.063 -0.058) 0.107 27.343 ( -0.082 0.345 0.918) 0.984 27.489 ( 1.464 5.021 -8.709) 10.159 28.878 ( -2.475 -0.868 3.852) 4.660 28.962 ( 3.222 -0.047 -4.225) 5.314 29.298 ( 4.388 -2.333 4.242) 6.533 29.399 ( -6.577 0.151 -4.434) 7.933 29.434 ( -7.735 1.124 7.617) 10.913 29.580 ( 12.470 2.381 -4.613) 13.508 31.393 ( -3.475 -1.159 2.329) 4.341 31.549 ( -2.165 -0.270 -9.015) 9.275 31.838 ( -1.024 -6.083 10.479) 12.160 32.049 ( 3.481 -5.525 -8.124) 10.423 32.500 ( -12.602 4.919 9.289) 16.410 32.661 ( 10.670 0.378 -6.459) 12.478 ======================= Grid point 198 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.162 -0.077 0.640) 0.665 2.243 ( -0.926 1.311 -5.054) 5.303 2.484 ( -6.886 1.948 -5.724) 9.164 2.553 ( 4.921 9.215 4.455) 11.357 2.873 ( 1.009 14.801 11.029) 18.486 2.940 ( -11.411 7.541 1.486) 13.758 3.069 ( 6.571 2.741 -4.051) 8.192 3.228 ( 10.051 7.251 -11.907) 17.186 3.396 ( -1.078 -7.465 1.322) 7.657 3.552 ( 4.483 -1.380 1.597) 4.955 3.665 ( -2.410 2.278 7.275) 7.995 3.882 ( 4.555 0.044 -10.343) 11.302 4.128 ( -15.872 -1.711 -1.316) 16.018 4.325 ( 3.196 2.819 7.752) 8.846 4.476 ( -0.222 0.314 -3.572) 3.592 4.696 ( 2.824 -3.194 -4.287) 6.046 4.739 ( 2.468 -4.205 -4.024) 6.322 4.764 ( -3.883 -16.285 3.339) 17.071 5.022 ( 1.230 -0.810 8.332) 8.461 5.104 ( -1.363 1.881 -8.432) 8.746 5.427 ( -1.159 4.043 1.214) 4.377 5.486 ( 5.337 0.298 1.442) 5.537 5.546 ( -5.260 -0.797 -1.178) 5.449 5.777 ( 10.432 -4.486 -3.755) 11.961 5.807 ( -4.423 3.147 0.627) 5.464 5.875 ( 4.743 1.318 1.028) 5.029 6.199 ( 0.742 -0.145 -0.198) 0.781 6.240 ( 0.899 -3.525 -1.665) 4.001 6.354 ( -1.240 2.254 9.078) 9.435 6.401 ( -0.758 -4.260 2.213) 4.860 6.663 ( -0.048 3.950 -2.401) 4.623 6.684 ( -0.083 2.993 -1.013) 3.161 6.741 ( -5.760 -2.702 9.278) 11.250 6.959 ( 3.832 2.694 -7.514) 8.854 7.569 ( -7.986 1.470 7.373) 10.968 7.746 ( 1.584 5.263 -4.682) 7.220 7.964 ( -6.666 -6.056 -5.439) 10.521 7.990 ( 2.696 -10.504 1.452) 10.941 8.217 ( -1.817 -2.991 -1.908) 3.985 8.353 ( 10.892 -4.091 -1.733) 11.763 8.708 ( -10.919 -6.155 6.649) 14.189 8.999 ( 13.613 -5.659 1.560) 14.825 9.669 ( -0.706 2.708 3.275) 4.308 9.738 ( -1.832 2.084 -7.661) 8.148 9.957 ( -1.211 0.999 9.144) 9.278 10.069 ( -0.872 3.051 -7.613) 8.248 10.576 ( -1.757 5.342 10.381) 11.806 10.669 ( 1.061 2.270 -1.468) 2.904 10.834 ( -3.154 0.769 6.940) 7.662 10.979 ( -0.995 4.059 -2.415) 4.826 11.156 ( -1.329 2.671 0.420) 3.013 11.270 ( 1.001 6.641 -15.074) 16.502 12.285 ( -5.292 8.526 0.926) 10.077 12.374 ( 1.368 11.251 -1.228) 11.400 12.653 ( -2.873 -4.353 -0.339) 5.227 12.703 ( -3.784 -7.162 0.131) 8.101 12.781 ( 8.647 -7.192 0.770) 11.274 12.864 ( 7.201 -7.609 -1.509) 10.584 14.211 ( -4.826 -0.714 0.005) 4.879 14.336 ( 6.269 0.565 0.024) 6.294 14.403 ( -3.000 -3.532 0.514) 4.663 14.481 ( 3.653 -4.703 -0.398) 5.968 15.187 ( -0.460 -0.258 0.336) 0.625 15.220 ( 1.344 -0.035 -2.587) 2.916 16.342 ( -4.365 0.135 11.662) 12.453 16.533 ( 2.081 1.003 -7.653) 7.994 17.080 ( -1.276 2.883 0.566) 3.203 17.101 ( -0.122 2.585 -0.497) 2.635 20.760 ( -4.971 0.623 1.694) 5.289 20.874 ( 4.464 -1.032 -1.566) 4.842 20.972 ( -0.888 1.654 -0.169) 1.885 21.003 ( 1.680 0.995 -0.780) 2.103 26.822 ( -4.778 -1.970 4.842) 7.082 26.991 ( 4.700 -0.736 -3.386) 5.840 27.254 ( 0.355 1.146 4.181) 4.349 27.326 ( 0.382 0.619 -0.969) 1.212 27.343 ( 0.089 0.029 0.482) 0.491 27.400 ( 2.322 3.621 -7.772) 8.883 28.845 ( -4.609 1.435 2.137) 5.279 28.960 ( 2.823 2.132 -3.832) 5.216 29.232 ( -9.125 6.635 0.789) 11.310 29.335 ( 2.456 3.409 3.351) 5.374 29.441 ( -2.409 -3.376 3.744) 5.588 29.647 ( 10.340 1.773 -7.692) 13.009 31.394 ( -2.860 -0.782 5.693) 6.419 31.521 ( 1.236 -0.604 -6.433) 6.579 31.938 ( -5.353 -2.782 7.836) 9.889 32.137 ( 4.771 -2.968 -6.395) 8.512 32.450 ( -6.113 -6.588 14.976) 17.466 32.738 ( 5.754 -4.774 -10.920) 13.235 ======================= Grid point 199 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -4.347 8.294 -14.093) 16.921 2.170 ( -3.497 3.437 -6.831) 8.408 2.376 ( 4.675 17.137 4.738) 18.385 2.540 ( 13.868 -1.668 3.783) 14.471 2.704 ( -4.957 4.418 3.397) 7.459 2.720 ( -0.637 6.983 0.525) 7.032 3.079 ( 10.264 5.307 -4.580) 12.429 3.321 ( 14.488 -2.167 0.063) 14.650 3.548 ( -2.940 -5.604 5.862) 8.627 3.579 ( 0.670 2.902 7.386) 7.964 3.733 ( 1.968 -10.128 1.551) 10.433 3.940 ( 6.527 -2.292 -9.843) 12.030 3.987 ( -17.633 -3.986 -1.297) 18.124 4.197 ( -11.067 5.257 3.234) 12.672 4.541 ( 5.801 -0.849 -3.270) 6.713 4.661 ( -10.227 -1.269 3.554) 10.901 4.761 ( 9.393 0.720 -7.041) 11.761 4.949 ( -5.227 2.658 -3.590) 6.875 5.010 ( 1.784 -9.539 -4.677) 10.772 5.126 ( 1.048 1.216 2.171) 2.700 5.345 ( -2.286 4.181 3.448) 5.881 5.428 ( -2.718 3.788 -5.857) 7.486 5.531 ( 1.193 2.970 6.682) 7.409 5.720 ( -3.098 2.006 -1.942) 4.170 5.934 ( 3.085 -2.974 1.331) 4.487 6.025 ( -4.585 11.622 8.237) 14.965 6.062 ( 9.752 -10.487 6.856) 15.877 6.197 ( 3.341 4.000 -4.594) 6.947 6.387 ( 2.069 3.923 1.268) 4.613 6.471 ( -7.428 -3.398 -2.119) 8.438 6.518 ( 0.107 3.285 -6.921) 7.662 6.797 ( -3.314 -15.636 -4.556) 16.620 6.885 ( 5.452 0.632 3.569) 6.547 7.032 ( 7.815 -13.688 10.712) 19.058 7.479 ( -9.781 -0.870 2.148) 10.051 7.618 ( -3.715 5.823 -7.103) 9.907 7.968 ( -10.892 -8.188 -7.227) 15.424 8.174 ( -2.783 -10.122 -0.339) 10.503 8.303 ( -0.044 -7.647 2.928) 8.189 8.539 ( 10.449 -5.713 0.434) 11.916 8.726 ( -8.648 -5.308 2.363) 10.419 9.220 ( 10.432 -3.694 4.975) 12.133 9.611 ( -0.893 5.293 5.095) 7.401 9.635 ( -0.604 4.811 -6.056) 7.758 9.925 ( -2.115 2.936 -1.908) 4.090 10.034 ( 4.281 2.507 6.671) 8.313 10.461 ( -6.940 8.727 13.948) 17.857 10.642 ( 3.477 2.783 -1.221) 4.618 10.840 ( 3.093 2.915 -4.737) 6.364 10.876 ( 0.133 3.774 0.007) 3.776 11.014 ( -3.739 8.290 -12.472) 15.435 11.129 ( 2.485 6.837 -2.965) 7.856 12.138 ( -1.322 6.640 1.316) 6.897 12.226 ( 3.011 8.351 -2.249) 9.157 12.705 ( -3.460 -5.444 0.273) 6.456 12.791 ( -4.923 -7.947 -0.652) 9.371 12.942 ( 7.529 -2.711 -0.730) 8.036 13.005 ( 4.235 -3.083 -0.149) 5.241 14.169 ( -3.527 0.572 -0.563) 3.617 14.394 ( 5.704 -0.125 -1.870) 6.004 14.467 ( -3.898 -7.960 2.720) 9.272 14.593 ( 0.974 -5.040 0.839) 5.201 15.197 ( -1.141 -1.838 0.180) 2.171 15.240 ( 0.689 -2.423 -2.393) 3.474 16.332 ( -3.878 1.133 9.333) 10.170 16.496 ( 2.820 3.055 -5.921) 7.235 17.010 ( 0.030 4.746 0.725) 4.801 17.041 ( 0.949 4.563 -0.537) 4.692 20.721 ( -4.483 -0.914 1.560) 4.834 20.900 ( 1.500 3.192 -0.432) 3.554 20.939 ( 0.752 -1.048 -3.856) 4.066 21.014 ( 2.915 0.947 1.934) 3.624 26.836 ( -3.165 -2.306 5.255) 6.554 27.024 ( 2.577 0.597 2.350) 3.538 27.224 ( -2.765 0.535 -8.687) 9.132 27.325 ( 1.587 0.384 0.313) 1.663 27.341 ( -0.215 0.126 -0.375) 0.450 27.388 ( 5.507 0.740 -0.818) 5.617 28.786 ( -3.306 1.083 0.644) 3.538 28.910 ( -2.080 3.093 -3.231) 4.933 29.073 ( -2.615 4.912 0.589) 5.595 29.294 ( 1.043 4.943 2.292) 5.548 29.475 ( 1.342 0.763 4.675) 4.923 29.637 ( 7.335 6.444 -7.494) 12.308 31.406 ( -1.906 -0.325 7.661) 7.901 31.543 ( 3.774 -0.999 -2.940) 4.887 31.883 ( -6.513 2.518 1.257) 7.095 32.166 ( 5.541 2.892 -5.281) 8.182 32.691 ( -6.120 -19.197 20.167) 28.508 32.853 ( -1.973 -13.027 -15.704) 20.499 ======================= Grid point 204 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.516 0.000 5.277) 5.491 2.147 ( 14.607 0.000 1.913) 14.732 2.243 ( -2.582 -0.000 -9.675) 10.014 2.616 ( 16.909 0.000 13.519) 21.649 2.837 ( -1.324 -0.000 -9.059) 9.155 2.921 ( -10.415 -0.000 10.171) 14.558 2.950 ( 16.342 0.000 -2.867) 16.591 3.359 ( 6.816 0.000 12.966) 14.648 3.558 ( -3.443 -0.000 1.427) 3.727 3.562 ( 8.863 0.000 -14.498) 16.992 3.999 ( -10.016 -0.000 12.126) 15.727 4.143 ( -10.579 -0.000 8.759) 13.735 4.150 ( -8.959 -0.000 -13.402) 16.121 4.365 ( -1.084 -0.000 -9.068) 9.133 4.469 ( -19.372 -0.000 -13.770) 23.768 4.740 ( 0.029 0.000 -14.914) 14.914 4.841 ( 7.744 0.000 10.313) 12.897 4.991 ( -5.533 -0.000 14.404) 15.430 5.088 ( 6.389 0.000 -4.170) 7.629 5.147 ( 4.622 0.000 1.274) 4.795 5.197 ( -7.296 -0.000 2.746) 7.796 5.412 ( -3.201 -0.000 0.880) 3.320 5.522 ( -0.142 -0.000 5.865) 5.867 5.694 ( -3.322 -0.000 -1.057) 3.486 5.748 ( 7.675 0.000 3.721) 8.529 5.865 ( 7.912 0.000 -7.599) 10.971 5.897 ( 12.053 0.000 -1.691) 12.171 6.185 ( -2.524 -0.000 1.228) 2.807 6.278 ( 6.427 0.000 12.886) 14.400 6.393 ( 7.113 0.000 0.242) 7.118 6.629 ( -5.014 -0.000 -0.720) 5.066 6.752 ( -11.730 -0.000 -8.761) 14.641 7.185 ( -2.161 -0.000 -8.052) 8.337 7.294 ( -7.821 -0.000 -6.306) 10.047 7.374 ( 4.922 0.000 -1.783) 5.235 7.379 ( -9.080 -0.000 8.086) 12.158 8.082 ( -3.114 -0.000 10.342) 10.801 8.160 ( -8.463 -0.000 -1.241) 8.554 8.198 ( 4.699 0.000 -5.604) 7.314 8.302 ( -5.393 -0.000 3.375) 6.361 8.727 ( -0.978 -0.000 8.865) 8.918 8.987 ( 3.750 0.000 -11.874) 12.452 9.641 ( 3.550 0.000 0.954) 3.676 9.767 ( -0.793 -0.000 -4.501) 4.571 9.854 ( 2.996 0.000 11.654) 12.033 10.207 ( 1.797 0.000 -8.059) 8.257 10.444 ( 4.246 0.000 8.740) 9.717 10.668 ( 4.718 0.000 2.066) 5.150 10.911 ( 3.252 0.000 -1.682) 3.661 10.984 ( -2.259 -0.000 -0.421) 2.298 11.009 ( 2.587 0.000 -0.930) 2.749 11.081 ( 1.381 0.000 -7.220) 7.351 12.200 ( 1.039 0.000 1.737) 2.024 12.231 ( 5.361 0.000 -3.733) 6.532 12.653 ( -5.808 -0.000 0.475) 5.828 12.656 ( -4.535 -0.000 -0.942) 4.632 12.965 ( 5.324 0.000 0.248) 5.330 13.059 ( -5.117 -0.000 2.035) 5.507 14.047 ( 7.767 0.000 -1.833) 7.980 14.216 ( -8.373 -0.000 -0.132) 8.374 14.587 ( 0.415 0.000 1.733) 1.782 14.672 ( -4.855 -0.000 0.331) 4.867 15.219 ( -0.741 -0.000 2.417) 2.529 15.290 ( 0.040 0.000 -2.808) 2.808 16.332 ( -3.667 -0.000 5.645) 6.731 16.411 ( 4.590 0.000 -5.244) 6.969 17.025 ( 3.635 0.000 -0.393) 3.657 17.044 ( 1.142 0.000 0.463) 1.232 20.837 ( -3.185 -0.000 2.907) 4.312 20.872 ( 0.858 0.000 -2.700) 2.833 20.972 ( 3.941 0.000 0.925) 4.048 21.037 ( -0.789 -0.000 0.675) 1.039 26.778 ( -3.490 -0.000 3.198) 4.733 26.870 ( 1.602 0.000 -6.100) 6.307 27.334 ( 0.135 0.000 0.043) 0.142 27.336 ( -0.050 -0.000 -0.008) 0.050 27.487 ( 1.046 0.000 14.101) 14.140 27.727 ( 3.046 0.000 -3.192) 4.413 28.707 ( -1.115 -0.000 1.921) 2.221 28.734 ( 0.806 0.000 -1.288) 1.520 29.187 ( 1.089 0.000 2.432) 2.665 29.259 ( 3.935 0.000 -3.488) 5.259 29.586 ( -4.271 -0.000 11.304) 12.084 29.667 ( 12.208 0.000 -3.312) 12.649 31.390 ( -2.961 -0.000 -2.152) 3.661 31.564 ( -3.052 -0.000 -3.913) 4.963 31.660 ( 0.513 0.000 4.982) 5.009 32.007 ( -7.465 -0.000 -21.587) 22.842 32.621 ( 16.312 0.000 -2.408) 16.489 32.850 ( -21.926 -0.000 9.300) 23.816 ======================= Grid point 205 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -1.579 -2.110 4.033) 4.817 2.148 ( -0.191 2.112 -3.126) 3.778 2.348 ( 14.466 -4.304 6.658) 16.496 2.593 ( -16.140 -6.291 -14.534) 22.612 2.866 ( -5.462 -0.308 6.954) 8.848 3.061 ( 14.779 0.248 4.798) 15.540 3.139 ( 20.870 -2.954 4.241) 21.500 3.397 ( -15.853 -1.361 2.504) 16.107 3.524 ( 1.623 0.204 3.202) 3.596 3.651 ( 4.295 -5.593 -9.452) 11.793 3.872 ( -4.104 6.175 -0.658) 7.443 3.996 ( -0.970 0.734 18.594) 18.634 4.119 ( -17.157 -7.172 -15.666) 24.315 4.269 ( 0.144 3.590 6.302) 7.254 4.409 ( -4.614 -2.906 -5.637) 7.843 4.623 ( -3.365 7.361 -11.750) 14.268 4.763 ( 3.317 11.278 3.467) 12.256 4.885 ( 4.283 14.576 -5.026) 16.001 5.110 ( -1.225 -3.158 7.662) 8.378 5.200 ( 2.029 0.274 -1.839) 2.752 5.316 ( 6.681 -5.943 5.433) 10.463 5.335 ( -7.717 -0.331 1.609) 7.890 5.536 ( -2.260 -0.316 5.399) 5.861 5.681 ( -0.342 -1.387 -1.471) 2.051 5.812 ( 3.907 -0.523 0.354) 3.958 5.889 ( 1.294 -0.312 -8.925) 9.023 6.007 ( 6.518 2.319 3.937) 7.960 6.186 ( -0.303 -1.798 -11.232) 11.379 6.376 ( 8.509 0.025 8.063) 11.722 6.500 ( 0.410 -3.071 -1.942) 3.657 6.596 ( -1.080 -4.316 1.756) 4.783 6.625 ( 0.391 2.331 -0.494) 2.415 7.129 ( -5.821 5.192 -2.002) 8.053 7.170 ( 0.377 2.404 -5.068) 5.622 7.351 ( -11.269 -4.060 10.008) 15.609 7.485 ( 3.676 -8.313 -2.888) 9.538 8.029 ( -1.335 5.353 7.484) 9.298 8.111 ( -2.946 0.326 -0.052) 2.965 8.257 ( 1.052 2.335 -1.694) 3.071 8.276 ( 7.013 -1.326 -3.833) 8.101 8.699 ( -1.876 5.149 8.502) 10.115 8.920 ( 3.485 5.760 -11.811) 13.594 9.663 ( 2.016 0.400 2.451) 3.199 9.750 ( -1.749 -1.102 -5.900) 6.252 9.919 ( -1.220 -0.989 11.689) 11.794 10.173 ( 0.238 0.430 -11.214) 11.224 10.557 ( 0.045 -5.195 13.842) 14.785 10.709 ( 3.404 0.907 3.137) 4.717 10.885 ( -5.315 3.110 -1.510) 6.341 10.949 ( 0.879 -3.224 -7.453) 8.167 11.039 ( -1.816 -3.108 6.218) 7.185 11.181 ( 1.470 -9.230 -9.720) 13.485 12.249 ( -1.659 -5.908 1.441) 6.303 12.295 ( 1.772 -4.914 -2.927) 5.988 12.613 ( -1.409 0.458 1.109) 1.851 12.633 ( 0.675 0.269 -0.775) 1.062 12.945 ( -1.716 8.083 1.081) 8.334 12.958 ( 2.697 7.643 -0.072) 8.105 14.141 ( 3.747 -1.532 -1.279) 4.245 14.152 ( -0.620 -1.746 -2.148) 2.836 14.571 ( 1.118 3.926 2.720) 4.906 14.599 ( -3.215 3.826 -0.031) 4.997 15.218 ( -0.101 0.710 2.192) 2.307 15.276 ( 1.287 1.121 -3.310) 3.724 16.313 ( -4.525 -0.213 7.599) 8.847 16.454 ( 2.703 -2.678 -5.867) 6.993 17.059 ( -1.340 -1.747 0.253) 2.216 17.065 ( 1.382 -1.855 -0.282) 2.330 20.827 ( -2.291 -0.651 2.307) 3.316 20.866 ( 1.324 1.001 -1.371) 2.152 21.008 ( 2.239 0.529 0.356) 2.328 21.019 ( -0.340 0.393 -0.595) 0.790 26.773 ( -2.192 -0.786 3.626) 4.309 26.878 ( 3.221 -1.216 -6.558) 7.407 27.334 ( -0.031 0.117 0.132) 0.179 27.336 ( 0.055 0.001 -0.117) 0.130 27.490 ( -0.655 5.674 12.360) 13.615 27.687 ( 2.438 5.499 -5.717) 8.299 28.753 ( -1.328 -5.232 2.772) 6.068 28.803 ( 1.178 -6.982 -1.888) 7.328 29.209 ( -0.258 -1.360 2.439) 2.805 29.280 ( 0.910 -1.423 -4.303) 4.622 29.552 ( -7.061 2.433 10.153) 12.604 29.738 ( 11.971 3.579 -5.260) 13.557 31.366 ( -2.621 -0.407 2.661) 3.757 31.521 ( -3.331 -0.921 -6.320) 7.203 31.703 ( -0.053 -2.365 5.227) 5.737 31.901 ( -2.677 -1.875 -14.276) 14.646 32.658 ( -18.996 3.164 7.831) 20.789 32.762 ( 18.859 2.718 -2.482) 19.215 ======================= Grid point 206 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -3.408 -3.719 3.792) 6.311 2.175 ( 1.058 -3.906 1.465) 4.304 2.442 ( -18.914 -3.325 -15.702) 24.806 2.593 ( 11.232 -4.010 10.198) 15.692 2.886 ( -3.004 -4.571 5.456) 7.726 3.089 ( -6.272 0.777 -9.759) 11.627 3.258 ( 2.811 -0.034 -5.279) 5.980 3.333 ( 15.665 3.494 6.390) 17.275 3.480 ( -13.266 3.482 4.636) 14.478 3.689 ( -4.315 0.725 -11.163) 11.990 3.808 ( -5.317 1.365 18.420) 19.220 4.029 ( -6.206 2.193 1.631) 6.781 4.101 ( -7.743 -6.822 0.174) 10.321 4.239 ( 3.446 7.440 0.490) 8.214 4.408 ( 12.564 -0.190 12.350) 17.619 4.572 ( 8.646 -2.982 -7.008) 11.523 4.610 ( -0.279 11.585 -14.741) 18.750 4.696 ( 6.221 4.091 -1.937) 7.694 5.107 ( -3.119 4.450 3.504) 6.466 5.157 ( -3.516 0.635 -2.111) 4.150 5.360 ( -1.001 -5.539 0.338) 5.639 5.472 ( 7.738 -1.157 2.220) 8.133 5.531 ( -1.581 -0.155 0.384) 1.634 5.716 ( 5.746 -1.585 -4.511) 7.475 5.841 ( -4.437 -2.703 0.473) 5.217 5.914 ( 3.440 -4.879 -0.945) 6.044 6.008 ( -0.821 1.948 2.280) 3.110 6.104 ( 0.400 2.892 -3.764) 4.764 6.411 ( -7.064 0.885 -2.767) 7.638 6.446 ( -1.036 3.709 4.889) 6.224 6.719 ( 5.708 -6.462 -4.728) 9.833 6.735 ( 4.717 -3.006 -3.951) 6.848 6.945 ( -5.353 7.619 6.419) 11.310 7.118 ( 4.960 8.280 -2.655) 10.011 7.411 ( -7.904 -9.451 12.545) 17.583 7.649 ( 1.965 -8.940 -4.615) 10.251 7.982 ( 4.570 6.065 10.264) 12.768 8.040 ( -0.628 6.000 -5.375) 8.080 8.197 ( -2.063 1.226 -4.075) 4.730 8.349 ( 11.592 2.990 -4.633) 12.836 8.627 ( -3.686 3.214 9.269) 10.480 8.866 ( 7.751 -0.121 -7.930) 11.089 9.691 ( 0.315 -0.506 2.345) 2.420 9.723 ( -2.455 -1.402 -6.116) 6.738 9.946 ( -4.381 -0.935 11.480) 12.323 10.122 ( -1.544 0.360 -10.529) 10.648 10.655 ( -3.506 -1.901 7.731) 8.700 10.722 ( 1.722 1.810 5.839) 6.351 10.815 ( -5.935 -1.264 5.269) 8.036 10.990 ( -1.092 -3.633 -6.630) 7.638 11.091 ( -4.856 -4.374 5.420) 8.491 11.273 ( -0.519 -5.912 -14.316) 15.497 12.329 ( -8.561 -7.192 0.072) 11.181 12.393 ( -4.891 -8.366 -0.245) 9.694 12.634 ( 6.041 -0.695 0.693) 6.120 12.674 ( 7.027 -1.367 -0.281) 7.164 12.760 ( -1.337 9.893 -0.241) 9.986 12.841 ( 7.778 12.401 -0.306) 14.642 14.116 ( -5.233 -2.907 -1.653) 6.210 14.282 ( 10.949 -2.910 -2.196) 11.541 14.486 ( -2.053 5.546 0.759) 5.962 14.526 ( 2.483 5.377 1.965) 6.240 15.210 ( 0.280 1.247 1.602) 2.049 15.256 ( 1.855 1.575 -3.494) 4.258 16.313 ( -5.481 -1.449 10.034) 11.525 16.496 ( 1.633 -2.605 -6.693) 7.365 17.073 ( -3.121 -2.295 0.276) 3.884 17.099 ( -0.930 -1.946 -0.300) 2.177 20.810 ( -2.599 1.328 0.701) 3.002 20.866 ( 2.111 0.605 0.299) 2.216 20.981 ( -2.201 -0.136 -0.060) 2.206 21.042 ( 3.819 0.881 -1.312) 4.133 26.779 ( -2.113 -0.632 3.995) 4.563 26.927 ( 5.590 -2.550 -6.385) 8.861 27.331 ( -0.263 0.396 0.347) 0.588 27.335 ( 0.074 0.160 -0.076) 0.192 27.406 ( -2.614 6.512 9.301) 11.651 27.582 ( 3.197 6.775 -7.929) 10.908 28.825 ( -3.597 -3.916 3.045) 6.127 28.927 ( 2.702 -5.571 -2.642) 6.732 29.255 ( -2.792 -5.058 2.204) 6.183 29.284 ( -3.396 -2.097 -3.359) 5.217 29.455 ( -7.175 4.437 6.914) 10.907 29.756 ( 12.640 4.673 -8.099) 15.723 31.375 ( -1.485 -0.366 8.814) 8.946 31.491 ( -1.177 -1.236 -6.768) 6.980 31.776 ( -1.218 -4.263 8.305) 9.414 31.913 ( -0.635 -6.341 -10.473) 12.259 32.467 ( -14.647 3.393 7.090) 16.622 32.856 ( 18.424 6.248 -3.697) 19.803 ======================= Grid point 207 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -1.380 -4.481 1.842) 5.038 2.204 ( -7.433 1.707 -6.614) 10.095 2.315 ( -8.463 -9.343 -2.161) 12.790 2.769 ( 4.507 -0.753 12.564) 13.369 2.842 ( -9.962 2.581 -4.472) 11.221 3.057 ( -3.560 -0.187 -2.675) 4.457 3.268 ( 8.375 3.946 -0.827) 9.295 3.325 ( 3.588 0.809 -14.918) 15.365 3.345 ( -3.584 9.290 13.032) 16.401 3.583 ( 5.787 0.021 2.835) 6.444 3.831 ( 2.301 2.990 17.050) 17.462 3.915 ( -3.289 9.121 3.586) 10.338 4.058 ( -8.101 0.356 -11.619) 14.168 4.235 ( -1.510 -6.507 -9.769) 11.835 4.390 ( -8.669 -0.938 -2.496) 9.070 4.567 ( 11.401 2.009 6.925) 13.490 4.659 ( -2.643 1.623 4.422) 5.401 4.791 ( 10.080 -4.371 -9.972) 14.837 5.050 ( -3.339 2.169 0.249) 3.989 5.114 ( 3.785 -0.414 2.249) 4.422 5.427 ( -0.887 -3.451 -5.843) 6.844 5.484 ( 1.157 2.327 -2.609) 3.683 5.535 ( 2.268 0.199 -5.952) 6.373 5.766 ( 0.235 -0.195 -0.850) 0.903 5.840 ( -3.122 1.130 4.200) 5.354 5.991 ( 4.780 -1.672 3.531) 6.174 6.079 ( 6.403 -8.804 -1.045) 10.936 6.156 ( 5.670 -4.261 -4.381) 8.337 6.319 ( -9.507 -3.378 -0.471) 10.100 6.422 ( -3.279 -1.355 10.388) 10.977 6.711 ( -0.016 3.494 -3.164) 4.713 6.740 ( -1.979 3.843 5.747) 7.191 6.814 ( -0.900 12.928 -0.209) 12.961 7.045 ( 6.168 3.228 -3.393) 7.744 7.516 ( -6.038 -3.123 10.392) 12.418 7.733 ( -3.329 -3.617 -7.813) 9.231 7.888 ( -1.895 6.268 -6.800) 9.440 8.005 ( 8.919 3.179 8.104) 12.464 8.163 ( 0.434 -1.073 -5.157) 5.286 8.416 ( 11.362 -0.625 -1.115) 11.433 8.602 ( -4.494 -0.984 7.558) 8.848 9.024 ( 13.066 -7.068 -0.903) 14.883 9.667 ( -3.533 -0.446 -3.659) 5.106 9.722 ( -1.275 0.129 -0.118) 1.287 9.964 ( -3.802 -0.902 8.555) 9.405 10.066 ( -1.304 -0.065 -4.553) 4.736 10.649 ( -1.598 0.525 3.636) 4.006 10.717 ( 1.792 3.165 0.759) 3.716 10.814 ( -7.704 -1.507 13.395) 15.525 10.979 ( -3.153 -0.234 -4.324) 5.357 11.117 ( -6.020 -2.782 0.146) 6.633 11.242 ( -4.351 -0.650 -16.596) 17.169 12.290 ( -9.508 0.316 -0.139) 9.514 12.416 ( -10.592 -2.990 0.357) 11.012 12.637 ( 2.424 3.975 -0.547) 4.688 12.685 ( 4.307 5.169 0.730) 6.768 12.802 ( 11.189 -3.976 -1.045) 11.920 12.840 ( 12.045 -2.823 -0.465) 12.380 14.128 ( -3.235 -3.746 -0.844) 5.021 14.386 ( -0.923 2.243 0.401) 2.458 14.418 ( 8.693 0.558 -0.448) 8.722 14.490 ( 3.768 2.169 0.827) 4.426 15.196 ( 0.339 1.261 0.921) 1.598 15.235 ( 1.674 1.367 -3.342) 3.980 16.323 ( -5.792 -1.525 10.549) 12.131 16.519 ( 1.365 -1.449 -6.366) 6.670 17.073 ( -3.332 -1.244 0.334) 3.573 17.104 ( -2.071 -0.592 -0.278) 2.172 20.744 ( -4.015 2.441 0.342) 4.711 20.888 ( 2.159 -0.668 0.211) 2.270 20.981 ( -0.718 -0.661 0.048) 0.977 21.043 ( 3.323 2.123 -1.599) 4.255 26.786 ( -1.744 -0.687 4.589) 4.957 27.005 ( 5.998 -2.146 -4.537) 7.821 27.286 ( -3.427 3.750 2.101) 5.497 27.333 ( 0.061 0.157 0.092) 0.192 27.349 ( -0.555 0.677 1.187) 1.475 27.490 ( 4.941 5.402 -6.463) 9.766 28.823 ( -4.892 0.097 2.373) 5.438 28.978 ( 0.512 0.134 -4.174) 4.207 29.226 ( -8.312 2.259 -0.190) 8.615 29.307 ( -6.770 -4.780 1.339) 8.395 29.406 ( 1.684 -1.355 4.997) 5.444 29.774 ( 11.767 3.297 -10.658) 16.215 31.410 ( -0.047 0.533 13.752) 13.762 31.496 ( 1.670 -1.718 -4.138) 4.781 31.858 ( -4.504 -4.155 7.407) 9.613 31.995 ( -1.043 -8.934 -11.276) 14.423 32.359 ( -8.926 -1.569 9.855) 13.388 32.875 ( 15.493 8.858 -5.535) 18.685 ======================= Grid point 208 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -7.256 3.707 -13.756) 15.988 2.101 ( -9.502 2.878 -6.496) 11.865 2.476 ( -4.841 -9.322 1.235) 10.576 2.681 ( 7.571 -1.556 1.018) 7.796 2.780 ( 8.682 16.074 9.671) 20.671 3.013 ( -1.978 1.216 11.388) 11.622 3.261 ( 9.831 8.253 -3.230) 13.236 3.277 ( -2.874 -5.075 1.151) 5.945 3.447 ( 8.283 -4.747 -2.747) 9.934 3.679 ( 4.107 -0.524 9.050) 9.952 3.752 ( -2.023 6.073 -1.112) 6.497 3.855 ( 1.740 4.576 9.366) 10.569 3.969 ( 1.734 -0.941 -12.477) 12.633 4.140 ( -10.901 0.184 -7.069) 12.993 4.417 ( -11.080 -3.353 -4.157) 12.300 4.613 ( 2.216 -0.295 0.637) 2.325 4.684 ( -3.050 -7.495 7.119) 10.778 4.857 ( 2.081 -1.798 -7.048) 7.566 4.967 ( 0.653 1.168 -8.632) 8.735 5.177 ( 2.793 2.539 0.459) 3.802 5.389 ( -3.874 3.324 -6.212) 8.040 5.439 ( 1.614 1.181 -3.245) 3.812 5.541 ( -1.088 -5.397 -0.643) 5.543 5.729 ( -1.968 2.739 0.657) 3.436 5.856 ( -2.333 -2.903 4.811) 6.084 6.094 ( 7.560 -2.823 5.151) 9.574 6.213 ( -2.060 0.049 2.797) 3.474 6.277 ( 4.271 2.564 4.384) 6.636 6.366 ( -0.656 6.223 -2.135) 6.612 6.427 ( 2.591 -14.377 0.059) 14.609 6.565 ( -7.499 6.771 -2.266) 10.355 6.629 ( 4.000 7.955 -2.642) 9.288 6.847 ( 5.182 -12.079 13.387) 18.761 7.040 ( 3.332 2.025 0.779) 3.976 7.453 ( -6.033 5.021 4.237) 8.920 7.641 ( -5.986 4.470 -9.939) 12.434 7.781 ( -5.630 -0.553 -7.154) 9.121 8.090 ( 5.953 -1.210 2.203) 6.462 8.208 ( 0.352 -4.251 -0.541) 4.299 8.550 ( 7.100 -3.390 0.781) 7.906 8.629 ( -0.735 -2.680 4.128) 4.976 9.255 ( 8.765 -5.499 3.822) 11.031 9.646 ( 0.390 -0.665 -3.546) 3.629 9.676 ( -2.706 2.870 2.250) 4.541 9.928 ( -2.700 1.456 -3.773) 4.863 10.116 ( 3.571 -1.980 11.321) 12.035 10.574 ( -8.516 7.716 13.613) 17.816 10.701 ( 4.247 0.752 -4.334) 6.115 10.837 ( -0.538 -2.382 2.592) 3.561 10.918 ( -2.875 1.982 -3.492) 4.938 11.017 ( -6.941 3.816 -11.010) 13.563 11.164 ( -2.404 -0.352 -8.251) 8.601 12.196 ( -4.205 2.605 0.669) 4.992 12.331 ( -3.938 2.851 -1.647) 5.133 12.635 ( 0.683 -0.782 -0.165) 1.051 12.670 ( 0.941 -0.640 0.023) 1.139 12.958 ( 5.994 -4.034 -1.256) 7.334 12.996 ( 7.953 -2.972 0.473) 8.503 14.149 ( -1.506 -1.201 -0.515) 1.994 14.357 ( -2.080 -1.198 1.820) 3.013 14.459 ( 5.479 1.527 0.380) 5.700 14.547 ( 3.254 -2.397 -0.419) 4.064 15.185 ( 0.057 0.647 0.485) 0.810 15.222 ( 1.041 0.274 -3.048) 3.232 16.326 ( -5.283 -0.699 9.383) 10.791 16.523 ( 2.011 0.082 -5.420) 5.782 17.054 ( -1.625 0.795 0.299) 1.834 17.085 ( -1.185 0.794 -0.131) 1.432 20.681 ( -3.628 0.662 0.759) 3.765 20.922 ( 1.192 -1.229 -0.622) 1.821 20.959 ( 0.519 2.548 -1.443) 2.974 21.048 ( 2.340 0.374 0.396) 2.403 26.808 ( -0.642 -1.258 5.504) 5.682 27.062 ( 3.165 -0.287 -0.094) 3.179 27.194 ( -3.538 2.621 -4.462) 6.269 27.333 ( 0.065 -0.044 0.185) 0.201 27.343 ( -0.027 0.236 -0.073) 0.249 27.463 ( 6.212 2.270 -3.917) 7.687 28.773 ( -3.687 0.943 1.426) 4.064 28.912 ( -4.283 2.815 -4.331) 6.710 29.119 ( -2.750 2.805 0.637) 3.979 29.319 ( -2.714 -1.386 0.869) 3.168 29.485 ( 0.527 -2.862 5.933) 6.609 29.772 ( 8.461 4.436 -10.824) 14.437 31.450 ( 0.759 1.755 15.474) 15.592 31.546 ( 3.840 -2.166 -1.192) 4.567 31.849 ( -6.512 0.240 1.620) 6.715 32.081 ( -2.470 -8.786 -13.663) 16.430 32.448 ( -6.121 -11.254 15.463) 20.081 32.828 ( 10.209 8.315 -7.927) 15.369 ======================= Grid point 214 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 1.250 0.000 4.735) 4.897 2.141 ( -1.689 -0.000 -6.032) 6.264 2.296 ( -21.778 -0.000 -11.085) 24.437 2.465 ( 13.359 0.000 9.565) 16.430 2.850 ( 0.096 0.000 2.741) 2.743 3.125 ( -24.498 -0.000 -7.854) 25.726 3.238 ( 8.600 0.000 -19.642) 21.442 3.255 ( -5.263 -0.000 15.734) 16.591 3.563 ( -1.916 -0.000 -3.895) 4.341 3.613 ( 8.112 0.000 -0.978) 8.171 3.872 ( -6.348 -0.000 4.435) 7.744 3.897 ( -1.262 -0.000 7.548) 7.653 4.098 ( 8.359 0.000 15.519) 17.627 4.303 ( 8.408 0.000 -12.438) 15.013 4.404 ( 1.803 0.000 16.620) 16.717 4.625 ( -1.650 -0.000 -13.152) 13.255 4.929 ( -4.215 -0.000 5.732) 7.115 5.040 ( -8.285 -0.000 -5.955) 10.203 5.078 ( 7.045 0.000 8.884) 11.338 5.179 ( 4.041 0.000 -0.441) 4.065 5.242 ( -8.802 -0.000 -2.886) 9.263 5.353 ( 6.138 0.000 9.104) 10.980 5.521 ( -3.694 -0.000 5.223) 6.397 5.652 ( -1.471 -0.000 1.178) 1.885 5.839 ( -1.350 -0.000 -13.710) 13.777 5.867 ( 5.458 0.000 -2.627) 6.058 6.083 ( -3.802 -0.000 -15.971) 16.417 6.192 ( 15.380 0.000 2.020) 15.512 6.421 ( -4.626 -0.000 0.046) 4.626 6.488 ( 2.180 0.000 -3.928) 4.492 6.554 ( 5.929 0.000 7.716) 9.731 6.679 ( 7.494 0.000 -4.995) 9.006 7.068 ( -8.724 -0.000 -1.499) 8.852 7.233 ( 7.548 0.000 -0.264) 7.553 7.235 ( -12.480 -0.000 11.147) 16.734 7.438 ( 0.924 0.000 2.220) 2.405 8.095 ( 1.613 0.000 4.731) 4.998 8.098 ( 0.594 0.000 2.883) 2.943 8.272 ( 2.659 0.000 -5.658) 6.251 8.383 ( 15.368 0.000 -3.440) 15.748 8.768 ( -1.648 -0.000 8.437) 8.597 8.957 ( 2.956 0.000 -12.793) 13.130 9.686 ( 0.185 0.000 2.239) 2.247 9.698 ( -3.327 -0.000 -3.953) 5.167 9.939 ( -3.480 -0.000 13.169) 13.621 10.122 ( -2.407 -0.000 -11.796) 12.039 10.550 ( -1.934 -0.000 10.700) 10.873 10.708 ( -0.598 -0.000 -7.871) 7.894 10.851 ( -8.452 -0.000 0.520) 8.468 10.922 ( -0.084 -0.000 1.143) 1.146 11.004 ( -5.815 -0.000 -0.811) 5.871 11.052 ( -0.382 -0.000 -0.071) 0.388 12.172 ( -4.747 -0.000 1.929) 5.124 12.249 ( -1.298 -0.000 -3.039) 3.305 12.633 ( 4.211 0.000 1.161) 4.368 12.661 ( 4.300 0.000 -0.327) 4.312 12.966 ( -4.979 -0.000 0.226) 4.984 13.087 ( 7.201 0.000 -0.495) 7.218 14.069 ( -4.940 -0.000 -3.486) 6.046 14.233 ( 12.489 0.000 -1.946) 12.640 14.598 ( -3.126 -0.000 0.390) 3.150 14.640 ( 2.857 0.000 3.655) 4.639 15.237 ( 0.951 0.000 2.295) 2.484 15.288 ( 2.088 0.000 -4.072) 4.576 16.285 ( -5.967 -0.000 6.751) 9.010 16.435 ( 1.537 0.000 -4.246) 4.515 17.020 ( -3.732 -0.000 0.130) 3.734 17.051 ( -0.828 -0.000 -0.170) 0.845 20.814 ( -1.353 -0.000 2.840) 3.146 20.881 ( 1.273 0.000 -1.251) 1.785 20.995 ( -3.251 -0.000 -1.104) 3.433 21.055 ( 4.856 0.000 -0.859) 4.931 26.773 ( 0.309 0.000 3.468) 3.481 26.875 ( 3.923 0.000 -6.307) 7.427 27.335 ( -0.091 -0.000 -0.025) 0.094 27.336 ( 0.049 0.000 0.017) 0.052 27.576 ( -1.423 -0.000 10.731) 10.825 27.730 ( 1.178 0.000 -7.520) 7.612 28.702 ( -0.816 -0.000 1.743) 1.924 28.741 ( 0.889 0.000 -1.240) 1.526 29.191 ( -2.545 -0.000 2.639) 3.666 29.258 ( -1.044 -0.000 -4.328) 4.452 29.531 ( -8.926 -0.000 8.575) 12.377 29.849 ( 10.799 0.000 -10.580) 15.118 31.370 ( -0.500 -0.000 10.043) 10.055 31.463 ( -1.955 -0.000 -5.958) 6.271 31.706 ( -0.267 -0.000 7.005) 7.010 31.814 ( -1.913 -0.000 -10.996) 11.162 32.534 ( -17.448 -0.000 6.393) 18.582 32.972 ( 21.877 0.000 -2.907) 22.069 ======================= Grid point 215 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -14.590 -1.152 -1.412) 14.704 2.133 ( 0.185 -0.396 3.559) 3.586 2.176 ( -7.453 -5.962 -9.406) 13.401 2.638 ( -3.054 -0.435 -0.135) 3.088 2.762 ( -15.067 -3.851 1.220) 15.599 2.929 ( 1.929 -4.679 -5.392) 7.395 3.218 ( -15.512 -4.217 5.536) 17.002 3.331 ( 10.993 -3.885 -14.135) 18.323 3.550 ( -18.266 -1.223 -16.857) 24.886 3.596 ( -4.575 -6.832 5.854) 10.094 3.717 ( 6.514 12.421 13.709) 19.612 4.028 ( 5.493 4.202 21.259) 22.356 4.298 ( 10.276 -0.871 9.537) 14.047 4.396 ( 4.850 7.861 -3.347) 9.824 4.478 ( 5.438 -0.734 1.458) 5.677 4.574 ( 12.966 -5.520 7.741) 16.078 4.805 ( -3.644 11.555 -9.377) 15.321 4.844 ( 0.549 8.608 0.393) 8.634 5.089 ( -8.264 0.080 -1.162) 8.346 5.183 ( 2.608 5.388 -0.365) 5.997 5.266 ( 0.489 -6.353 4.035) 7.542 5.483 ( -3.587 -3.895 9.632) 10.992 5.517 ( 4.690 -2.560 -2.500) 5.899 5.672 ( -0.449 -4.035 -3.736) 5.517 5.763 ( -3.984 -0.587 -5.145) 6.534 5.895 ( 2.655 0.862 -5.906) 6.533 5.995 ( -1.018 -0.614 -10.027) 10.097 6.201 ( 1.976 6.399 -4.935) 8.319 6.366 ( -1.159 2.123 -1.005) 2.619 6.556 ( 0.158 8.784 -0.663) 8.810 6.596 ( 5.998 -8.935 -11.605) 15.827 6.768 ( 6.421 -2.521 3.396) 7.689 7.042 ( 3.312 4.146 7.512) 9.198 7.196 ( -7.722 -5.714 9.153) 13.269 7.301 ( 6.448 0.791 3.541) 7.399 7.509 ( -1.149 -7.049 1.119) 7.229 8.117 ( 3.936 2.185 1.077) 4.629 8.139 ( 7.172 1.741 8.025) 10.903 8.235 ( 3.719 5.313 -8.332) 10.558 8.508 ( 15.003 2.301 -5.074) 16.004 8.725 ( -2.017 5.897 8.494) 10.536 8.911 ( 5.344 1.958 -11.366) 12.711 9.647 ( -4.684 -0.229 -4.728) 6.660 9.696 ( -0.959 -0.698 2.951) 3.180 9.936 ( -6.036 0.394 14.040) 15.288 10.054 ( -3.453 -0.382 -11.820) 12.320 10.584 ( -5.811 -3.740 7.295) 10.048 10.702 ( -5.183 -6.053 -10.691) 13.334 10.754 ( -6.591 1.086 5.808) 8.852 10.913 ( -1.138 0.447 1.730) 2.118 10.988 ( -7.400 -3.958 4.211) 9.389 11.099 ( -4.460 -6.451 -4.790) 9.190 12.164 ( -6.672 -4.084 1.080) 7.897 12.244 ( -5.033 -3.828 -1.322) 6.460 12.692 ( 5.002 -0.208 0.185) 5.010 12.714 ( 6.463 -1.107 0.885) 6.617 12.883 ( 0.312 5.797 -0.271) 5.812 13.084 ( 7.613 7.910 -1.823) 11.129 14.034 ( -2.152 -1.531 -3.696) 4.542 14.352 ( 12.079 -0.903 -2.956) 12.469 14.548 ( -1.555 3.263 1.073) 3.771 14.649 ( 3.714 4.230 3.666) 6.718 15.249 ( 1.993 1.334 1.976) 3.107 15.285 ( 2.575 1.115 -4.435) 5.248 16.263 ( -6.475 -1.445 7.919) 10.331 16.445 ( 0.070 -2.010 -4.049) 4.521 16.995 ( -5.097 -2.088 0.221) 5.513 17.048 ( -2.886 -1.734 -0.315) 3.381 20.814 ( -0.966 0.537 1.955) 2.246 20.885 ( 0.582 0.106 0.175) 0.617 20.950 ( -3.761 0.234 -0.965) 3.890 21.094 ( 5.577 0.579 -2.968) 6.344 26.789 ( 1.296 0.661 3.058) 3.386 26.917 ( 5.573 -2.335 -5.617) 8.250 27.333 ( -0.103 0.101 0.052) 0.153 27.336 ( 0.000 0.032 -0.085) 0.091 27.521 ( -3.757 7.240 6.994) 10.745 27.674 ( 1.816 3.885 -8.651) 9.655 28.729 ( -2.314 -3.887 1.495) 4.765 28.828 ( 2.032 -7.854 -1.103) 8.188 29.173 ( -4.624 -0.672 1.423) 4.884 29.224 ( -4.082 -0.498 -2.572) 4.850 29.456 ( -8.485 1.626 5.603) 10.297 29.867 ( 7.741 1.867 -16.129) 17.988 31.429 ( 2.631 0.429 16.135) 16.354 31.445 ( 0.200 -1.070 -2.689) 2.901 31.747 ( -0.830 -1.637 9.398) 9.576 31.790 ( -1.177 -3.157 -7.947) 8.632 32.392 ( -13.960 1.361 5.910) 15.221 33.133 ( 22.295 4.919 -3.898) 23.162 ======================= Grid point 216 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -13.312 -11.114 -2.140) 17.474 2.159 ( 1.232 0.956 2.696) 3.114 2.178 ( -3.515 -1.359 2.545) 4.547 2.503 ( -23.846 -15.490 -7.878) 29.507 2.826 ( -1.921 -1.276 1.680) 2.853 3.014 ( -5.408 1.067 3.094) 6.321 3.219 ( 0.647 -6.576 -10.373) 12.299 3.267 ( -13.111 -0.966 -9.378) 16.149 3.483 ( 12.306 -1.084 -6.172) 13.810 3.694 ( 4.154 -3.760 -1.043) 5.700 3.717 ( -3.832 -2.616 16.563) 17.201 4.038 ( 1.096 7.983 21.789) 23.232 4.183 ( 2.077 13.660 7.944) 15.938 4.325 ( 1.512 5.230 5.717) 7.894 4.470 ( -1.543 15.163 -13.535) 20.383 4.622 ( 2.515 -2.381 -3.878) 5.200 4.750 ( 2.696 3.532 0.359) 4.458 4.805 ( 9.899 0.778 2.240) 10.179 5.006 ( -7.174 2.612 -6.296) 9.896 5.193 ( 8.829 -0.968 5.272) 10.329 5.347 ( 0.441 -2.543 -0.442) 2.618 5.507 ( 0.597 -1.261 -4.850) 5.046 5.562 ( 2.935 1.502 -2.512) 4.145 5.735 ( -3.337 -5.744 2.879) 7.240 5.789 ( -6.301 -0.030 -4.836) 7.943 5.884 ( 3.943 -7.935 -4.377) 9.883 6.016 ( 0.580 -3.161 0.417) 3.241 6.113 ( -5.270 -3.253 -10.537) 12.222 6.339 ( 8.817 7.601 0.071) 11.641 6.390 ( -6.031 0.958 3.971) 7.284 6.702 ( 0.184 -1.721 -1.961) 2.615 6.823 ( 1.975 1.265 3.307) 4.054 7.008 ( 8.600 8.004 1.145) 11.804 7.181 ( 0.438 7.203 -0.392) 7.227 7.454 ( 3.746 -6.817 9.818) 12.526 7.597 ( -2.898 -4.650 -1.022) 5.574 8.042 ( 3.641 12.476 -4.961) 13.911 8.171 ( 4.850 1.849 -6.140) 8.040 8.215 ( 11.343 4.788 9.267) 15.410 8.535 ( 10.286 3.717 -3.494) 11.482 8.641 ( -1.173 5.068 6.963) 8.691 9.009 ( 10.681 -7.241 -4.258) 13.589 9.593 ( -4.741 -1.344 -4.484) 6.662 9.704 ( -2.516 -0.725 1.706) 3.126 9.931 ( -6.118 -0.587 6.911) 9.248 10.006 ( -2.591 -3.016 -1.602) 4.287 10.597 ( -4.103 -3.550 -0.881) 5.497 10.718 ( -8.605 -5.334 2.667) 10.470 10.762 ( -2.764 -2.668 4.088) 5.609 10.895 ( -4.126 -0.887 -1.765) 4.575 10.991 ( -8.741 -3.752 3.147) 10.019 11.092 ( -8.557 -2.908 -8.613) 12.484 12.164 ( -8.129 -3.962 -0.208) 9.046 12.251 ( -8.491 -4.537 0.495) 9.640 12.702 ( -2.921 0.017 0.673) 2.998 12.806 ( 9.261 1.790 0.408) 9.442 12.858 ( 9.584 2.128 0.059) 9.817 13.009 ( 10.112 7.377 -3.848) 13.096 14.050 ( -0.046 -2.871 -2.716) 3.953 14.422 ( 2.420 1.916 -1.830) 3.589 14.519 ( 7.238 1.670 0.651) 7.457 14.611 ( 4.391 6.067 2.793) 7.993 15.244 ( 2.327 2.527 1.395) 3.707 15.268 ( 2.509 1.913 -4.193) 5.248 16.266 ( -6.350 -2.475 8.664) 11.024 16.469 ( -0.465 -2.815 -3.822) 4.770 16.992 ( -5.210 -3.269 0.342) 6.160 17.048 ( -3.927 -2.365 -0.507) 4.612 20.765 ( -2.753 3.528 0.469) 4.499 20.892 ( 0.078 -0.490 0.744) 0.894 20.941 ( -2.076 -2.271 0.322) 3.094 21.112 ( 5.296 2.021 -4.380) 7.164 26.801 ( 1.738 0.796 3.241) 3.763 27.002 ( 6.095 -2.980 -4.801) 8.311 27.320 ( -1.739 2.250 0.173) 2.849 27.335 ( -0.023 0.065 -0.120) 0.138 27.377 ( -3.912 5.077 2.432) 6.855 27.594 ( 3.545 4.879 -7.823) 9.878 28.766 ( -3.755 -2.709 1.433) 4.847 28.948 ( 0.307 -3.182 -2.195) 3.878 29.147 ( -4.726 -3.513 -2.874) 6.552 29.177 ( -8.610 -1.098 3.005) 9.185 29.398 ( -3.846 -0.934 3.418) 5.230 29.843 ( 5.561 0.406 -18.136) 18.973 31.470 ( 1.748 -2.153 -1.425) 3.118 31.521 ( 4.871 1.792 19.921) 20.586 31.788 ( -2.767 -2.849 2.142) 4.512 31.833 ( -1.204 -4.055 0.163) 4.233 32.296 ( -8.436 -0.193 8.603) 12.051 33.192 ( 20.075 10.532 -5.311) 23.284 ======================= Grid point 217 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -6.997 -1.452 -2.373) 7.530 2.084 ( -7.188 7.694 -6.848) 12.560 2.260 ( -6.584 -11.638 9.064) 16.154 2.648 ( 0.291 -16.119 7.197) 17.656 2.786 ( -12.147 -10.520 -14.086) 21.369 2.991 ( -3.732 -2.944 -5.932) 7.602 3.069 ( -5.696 0.731 2.380) 6.216 3.428 ( 9.220 -3.442 -3.060) 10.306 3.536 ( 8.623 3.266 -1.673) 9.372 3.771 ( -2.219 -2.241 1.021) 3.315 3.805 ( 4.981 -0.235 -0.744) 5.042 3.947 ( -5.046 9.560 12.729) 16.700 4.047 ( 4.870 12.369 16.221) 20.972 4.169 ( -0.653 10.101 -9.905) 14.162 4.384 ( 5.987 -1.732 3.869) 7.336 4.493 ( -10.635 1.588 -0.251) 10.756 4.799 ( 6.748 6.087 5.274) 10.507 4.845 ( -0.256 1.378 -4.101) 4.334 4.896 ( -0.966 -2.291 -12.172) 12.424 5.236 ( 3.913 0.960 -8.041) 8.994 5.371 ( -0.772 0.068 -1.617) 1.793 5.449 ( -2.616 -0.077 -2.494) 3.615 5.504 ( -1.418 7.245 -2.645) 7.842 5.742 ( -2.387 -1.214 1.071) 2.884 5.805 ( -1.000 -3.646 3.966) 5.479 6.055 ( -0.652 -6.513 5.127) 8.315 6.112 ( -10.341 -11.270 3.906) 15.786 6.164 ( 5.135 -9.087 -12.831) 16.540 6.320 ( 8.954 -0.430 -1.432) 9.078 6.428 ( -5.530 -0.258 7.682) 9.469 6.753 ( 4.513 -2.156 1.567) 5.241 6.809 ( 4.542 3.413 5.855) 8.159 6.836 ( 3.995 18.136 1.213) 18.610 7.112 ( 6.293 3.774 -2.300) 7.690 7.529 ( -2.401 2.125 4.204) 5.287 7.571 ( -5.489 2.301 -3.313) 6.812 7.833 ( 1.383 11.159 -5.507) 12.520 8.175 ( 5.875 2.070 -4.851) 7.895 8.254 ( 9.680 5.635 5.587) 12.517 8.586 ( 4.490 1.008 1.606) 4.874 8.636 ( 4.715 -1.086 3.423) 5.927 9.227 ( 6.320 -7.849 1.702) 10.220 9.588 ( -2.240 -3.718 -2.630) 5.075 9.685 ( -1.816 0.340 0.650) 1.959 9.888 ( -3.945 -0.834 -4.418) 5.981 10.113 ( 1.807 -6.422 12.760) 14.399 10.622 ( -6.954 0.315 8.655) 11.107 10.697 ( -0.395 -1.631 -5.709) 5.950 10.780 ( -6.612 -2.043 -3.872) 7.930 10.857 ( -4.866 -1.922 -0.129) 5.233 10.942 ( -7.725 -0.774 -4.666) 9.058 11.040 ( -6.115 -4.691 -4.337) 8.843 12.144 ( -6.272 -2.493 0.295) 6.756 12.237 ( -8.103 -3.857 0.108) 8.975 12.679 ( 1.572 2.165 0.505) 2.723 12.784 ( 5.608 7.668 -0.465) 9.511 12.934 ( 4.547 -2.434 0.378) 5.171 13.062 ( 10.195 -0.355 -3.432) 10.764 14.096 ( 0.726 -3.153 -1.885) 3.744 14.377 ( -0.730 2.733 1.666) 3.283 14.556 ( 4.661 4.290 1.346) 6.476 14.590 ( 6.475 1.888 -0.848) 6.798 15.223 ( 1.683 2.823 0.974) 3.428 15.242 ( 1.943 1.969 -3.856) 4.745 16.282 ( -5.659 -2.321 8.743) 10.671 16.497 ( 0.154 -2.484 -3.814) 4.554 17.005 ( -3.813 -3.340 0.290) 5.078 17.048 ( -3.291 -2.249 -0.383) 4.005 20.686 ( -2.070 2.754 0.809) 3.539 20.909 ( -0.341 -1.184 0.821) 1.481 20.956 ( -1.512 -1.350 -1.155) 2.333 21.100 ( 3.899 2.638 -3.255) 5.724 26.826 ( 2.512 0.209 4.281) 4.968 27.070 ( 3.210 -1.243 -3.797) 5.125 27.207 ( -4.899 4.344 -0.096) 6.548 27.333 ( -0.050 0.025 0.043) 0.071 27.346 ( -0.211 0.179 0.234) 0.362 27.538 ( 4.579 3.015 -7.710) 9.460 28.755 ( -3.252 0.018 1.651) 3.647 28.898 ( -4.272 2.600 -4.229) 6.550 29.106 ( -5.401 0.016 1.390) 5.577 29.228 ( -1.636 -6.722 -0.296) 6.925 29.436 ( -2.634 -4.414 5.222) 7.327 29.826 ( 4.159 -0.036 -16.816) 17.323 31.531 ( 2.755 -2.681 0.216) 3.850 31.599 ( 4.619 3.174 19.535) 20.323 31.793 ( -4.718 -0.709 2.095) 5.211 31.877 ( -2.321 -5.308 -6.872) 8.988 32.320 ( -4.298 -4.657 14.134) 15.490 33.129 ( 15.601 14.849 -7.227) 22.718 ======================= Grid point 224 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -23.178 -0.000 -3.823) 23.491 2.006 ( -14.554 -0.000 -7.195) 16.236 2.202 ( 5.741 0.000 8.507) 10.262 2.328 ( -27.757 -0.000 -16.281) 32.180 2.837 ( 16.108 0.000 14.470) 21.653 2.905 ( 3.511 0.000 -12.714) 13.190 3.052 ( -16.097 -0.000 14.280) 21.518 3.347 ( 9.027 0.000 -16.492) 18.801 3.380 ( -12.272 -0.000 -12.000) 17.164 3.477 ( -15.477 -0.000 22.000) 26.898 3.842 ( -2.986 -0.000 6.948) 7.562 4.215 ( 7.123 0.000 6.973) 9.968 4.410 ( 7.324 0.000 4.733) 8.720 4.510 ( 2.268 0.000 -6.534) 6.916 4.604 ( 10.070 0.000 14.423) 17.591 4.655 ( 22.346 0.000 4.883) 22.873 4.790 ( -11.044 -0.000 -6.079) 12.607 4.943 ( 2.531 0.000 4.165) 4.873 5.003 ( -7.475 -0.000 -4.563) 8.758 5.204 ( -1.927 -0.000 4.841) 5.210 5.315 ( 5.615 0.000 0.073) 5.616 5.418 ( -6.217 -0.000 10.332) 12.058 5.501 ( 1.514 0.000 -5.234) 5.448 5.600 ( -1.848 -0.000 -2.861) 3.406 5.685 ( -5.426 -0.000 -9.572) 11.003 5.937 ( 3.490 0.000 -8.593) 9.275 5.940 ( 4.374 0.000 -12.400) 13.149 6.200 ( -7.702 -0.000 -1.051) 7.774 6.429 ( -1.562 -0.000 -21.242) 21.300 6.502 ( 13.794 0.000 -6.936) 15.440 6.644 ( -3.893 -0.000 -4.671) 6.080 6.861 ( 12.887 0.000 14.145) 19.135 7.039 ( -10.543 -0.000 11.380) 15.513 7.255 ( 15.516 0.000 14.404) 21.171 7.362 ( -0.595 -0.000 0.208) 0.631 7.465 ( 7.323 0.000 5.504) 9.161 8.188 ( 6.546 0.000 1.328) 6.679 8.261 ( 10.926 0.000 7.415) 13.205 8.318 ( 7.802 0.000 -8.346) 11.425 8.654 ( 15.797 0.000 -6.828) 17.209 8.787 ( -2.529 -0.000 8.115) 8.500 8.930 ( 4.888 0.000 -13.040) 13.926 9.581 ( -6.039 -0.000 -3.741) 7.104 9.681 ( -3.007 -0.000 3.046) 4.280 9.941 ( -6.829 -0.000 16.171) 17.554 9.975 ( -2.318 -0.000 -13.044) 13.248 10.505 ( -8.372 -0.000 4.700) 9.601 10.511 ( -8.851 -0.000 -16.734) 18.931 10.715 ( -9.225 -0.000 7.907) 12.150 10.860 ( -9.759 -0.000 2.914) 10.185 10.947 ( -1.820 -0.000 6.408) 6.661 10.982 ( -6.354 -0.000 -1.156) 6.459 12.079 ( -6.177 -0.000 1.893) 6.461 12.158 ( -5.538 -0.000 -1.845) 5.838 12.665 ( -8.232 -0.000 0.971) 8.289 12.802 ( 11.276 0.000 0.696) 11.298 12.962 ( 7.070 0.000 -0.304) 7.076 13.204 ( 5.813 0.000 -4.278) 7.218 14.001 ( 1.084 0.000 -4.693) 4.817 14.447 ( 11.608 0.000 -4.469) 12.439 14.565 ( -1.136 -0.000 2.067) 2.359 14.741 ( 4.541 0.000 4.358) 6.293 15.298 ( 4.043 0.000 2.034) 4.526 15.305 ( 3.489 0.000 -4.931) 6.041 16.215 ( -6.526 -0.000 7.300) 9.791 16.407 ( -1.866 -0.000 -2.502) 3.121 16.926 ( -5.616 -0.000 0.260) 5.622 16.996 ( -4.409 -0.000 -0.619) 4.453 20.821 ( -0.500 -0.000 2.567) 2.615 20.884 ( -0.886 -0.000 0.435) 0.987 20.912 ( -4.160 -0.000 -1.054) 4.292 21.135 ( 5.597 0.000 -6.274) 8.408 26.834 ( 3.553 0.000 2.284) 4.224 26.928 ( 5.967 0.000 -5.025) 7.801 27.333 ( -0.092 -0.000 -0.071) 0.116 27.336 ( -0.020 -0.000 0.024) 0.031 27.595 ( -3.117 -0.000 6.627) 7.323 27.650 ( -1.844 -0.000 -13.663) 13.787 28.702 ( -0.451 -0.000 1.229) 1.309 28.748 ( 0.748 0.000 -1.243) 1.451 29.137 ( -4.762 -0.000 1.946) 5.144 29.168 ( -5.035 -0.000 -2.753) 5.739 29.393 ( -10.292 -0.000 4.088) 11.074 29.840 ( -0.150 -0.000 -22.882) 22.883 31.430 ( 0.845 0.000 -1.044) 1.343 31.540 ( 4.987 0.000 12.874) 13.806 31.725 ( -1.025 -0.000 -6.873) 6.949 31.810 ( 4.196 0.000 24.545) 24.901 32.307 ( -10.161 -0.000 7.211) 12.460 33.381 ( 23.751 0.000 -4.389) 24.154 ======================= Grid point 225 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -15.369 -10.117 5.674) 19.255 1.889 ( -31.194 -17.354 -8.557) 36.708 2.141 ( -4.669 0.137 -2.230) 5.176 2.270 ( 7.805 3.803 8.093) 11.869 2.773 ( -13.233 4.153 -4.642) 14.626 3.011 ( -3.126 -0.926 7.207) 7.910 3.097 ( -7.170 2.798 -5.777) 9.623 3.174 ( 9.460 -5.862 1.692) 11.257 3.407 ( 2.342 -6.710 -8.055) 10.742 3.557 ( -10.927 -12.442 17.969) 24.436 3.830 ( 4.062 3.820 5.617) 7.915 4.272 ( 2.759 2.777 7.846) 8.768 4.331 ( -2.427 8.593 -3.676) 9.656 4.438 ( -3.915 5.991 -2.027) 7.438 4.563 ( -7.627 7.964 -6.483) 12.792 4.702 ( 9.404 6.992 8.238) 14.325 4.843 ( 2.847 3.295 -3.076) 5.331 4.923 ( 6.879 -1.335 3.719) 7.933 5.012 ( 2.196 6.773 -4.518) 8.433 5.226 ( -0.641 -2.988 0.617) 3.118 5.346 ( 8.364 -4.738 2.549) 9.945 5.459 ( -1.860 -6.234 5.229) 8.346 5.545 ( -1.793 -0.467 2.320) 2.969 5.594 ( -0.587 -3.133 -7.217) 7.890 5.681 ( -2.864 -7.979 -2.891) 8.957 5.833 ( -3.742 4.778 -13.214) 14.541 5.971 ( 2.750 -1.090 -9.819) 10.255 6.090 ( 0.565 5.872 -9.981) 11.594 6.343 ( -4.045 -1.794 -6.372) 7.758 6.495 ( 3.823 5.018 -5.006) 8.053 6.705 ( 8.332 -3.515 -3.151) 9.576 6.839 ( -6.541 4.171 10.034) 12.683 7.153 ( -4.915 -6.914 8.243) 11.829 7.291 ( 4.599 5.108 2.903) 7.461 7.434 ( 12.619 3.099 8.389) 15.467 7.671 ( 20.537 -0.625 9.569) 22.666 8.253 ( 9.956 1.855 -6.136) 11.841 8.277 ( 7.885 9.998 -2.755) 13.028 8.406 ( 12.301 0.778 9.127) 15.337 8.703 ( 9.880 6.175 -5.682) 12.963 8.751 ( -0.227 5.401 5.005) 7.366 8.974 ( 8.255 -4.702 -8.099) 12.484 9.509 ( -6.414 -0.683 -3.653) 7.413 9.664 ( -4.200 -1.000 1.563) 4.591 9.885 ( -5.889 2.046 -5.193) 8.114 9.950 ( -2.860 -1.947 10.987) 11.519 10.452 ( -9.097 -9.497 -14.252) 19.392 10.473 ( -8.694 -5.034 1.280) 10.127 10.664 ( -8.811 -2.191 7.494) 11.773 10.838 ( -10.736 -5.242 3.554) 12.465 10.892 ( -5.497 1.530 1.653) 5.941 10.963 ( -6.765 -1.688 2.334) 7.353 12.041 ( -6.590 -1.992 0.377) 6.895 12.122 ( -6.578 -2.703 -0.266) 7.116 12.593 ( -11.947 -3.942 1.751) 12.702 12.919 ( 11.392 -0.703 -0.025) 11.414 13.011 ( 9.883 3.939 -0.438) 10.648 13.170 ( 3.487 5.775 -7.181) 9.852 14.018 ( 3.282 -1.348 -4.306) 5.580 14.486 ( 3.535 3.553 -2.641) 5.665 14.591 ( 5.707 -1.123 0.623) 5.850 14.761 ( 4.731 4.746 3.932) 7.769 15.312 ( 4.334 1.667 -4.335) 6.352 15.329 ( 4.885 2.506 1.601) 5.719 16.199 ( -5.764 -1.894 7.231) 9.439 16.397 ( -2.852 -2.553 -1.733) 4.201 16.895 ( -5.127 -2.210 0.340) 5.594 16.964 ( -5.058 -1.974 -1.048) 5.530 20.797 ( -2.584 2.744 0.878) 3.870 20.878 ( -1.560 -0.578 0.589) 1.764 20.886 ( -2.527 -1.636 0.816) 3.119 21.153 ( 4.131 0.010 -8.943) 9.851 26.861 ( 4.348 1.581 1.478) 4.857 26.996 ( 6.213 -2.534 -4.110) 7.869 27.329 ( -0.390 0.465 -0.308) 0.680 27.335 ( -0.043 0.091 -0.043) 0.110 27.445 ( -6.081 8.274 -2.522) 10.574 27.628 ( -0.202 0.029 -7.980) 7.982 28.700 ( -1.540 -1.766 0.998) 2.547 28.847 ( 0.760 -8.189 -1.631) 8.384 29.073 ( -5.479 1.495 -1.258) 5.817 29.110 ( -6.519 0.244 1.140) 6.622 29.323 ( -8.744 -2.028 2.110) 9.221 29.744 ( -5.276 -3.181 -22.628) 23.451 31.452 ( 1.345 -1.485 0.654) 2.107 31.604 ( 1.246 -1.218 3.391) 3.812 31.711 ( -0.671 -1.971 -5.481) 5.863 31.939 ( 4.436 3.970 24.890) 25.592 32.301 ( 3.104 1.563 20.832) 21.120 33.526 ( 22.342 7.371 -5.133) 24.080 ======================= Grid point 226 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -5.642 -11.900 9.169) 16.047 1.916 ( -23.324 -20.475 -2.558) 31.141 2.200 ( -3.465 -9.114 7.697) 12.422 2.235 ( -2.355 9.131 0.364) 9.437 2.610 ( -4.305 -5.189 -2.220) 7.099 2.914 ( -0.961 1.909 -15.067) 15.218 3.047 ( -1.732 -1.606 5.088) 5.610 3.411 ( 6.979 -6.297 -3.769) 10.127 3.519 ( -6.258 -6.445 3.601) 9.678 3.731 ( -5.119 -10.865 7.884) 14.367 3.856 ( 11.008 4.640 2.627) 12.232 4.128 ( 0.698 11.741 3.833) 12.371 4.245 ( -4.387 7.044 -0.248) 8.302 4.275 ( -4.277 3.558 -2.002) 5.912 4.356 ( -9.640 1.091 5.766) 11.286 4.607 ( 4.942 12.778 -1.387) 13.770 4.810 ( -6.527 5.564 -6.646) 10.850 4.895 ( 8.050 -0.081 2.079) 8.315 5.029 ( 11.365 3.798 2.213) 12.185 5.221 ( -2.052 -0.557 -8.764) 9.019 5.386 ( -5.344 7.118 -4.894) 10.158 5.456 ( -1.180 0.736 -2.799) 3.126 5.522 ( -5.402 2.995 -0.595) 6.205 5.653 ( -1.621 -8.850 -0.354) 9.004 5.780 ( 7.027 -4.379 -1.913) 8.498 5.881 ( 0.297 -9.753 3.629) 10.411 5.991 ( 1.452 -4.175 -10.208) 11.124 6.006 ( -1.091 -4.170 -2.796) 5.138 6.336 ( 0.390 -0.865 -2.076) 2.282 6.465 ( -1.973 5.060 3.924) 6.700 6.743 ( 3.014 -3.271 3.811) 5.857 6.864 ( 4.352 -1.425 -3.495) 5.760 7.102 ( -4.289 7.886 0.642) 9.000 7.277 ( 2.058 0.093 -2.197) 3.012 7.503 ( 12.160 9.022 9.162) 17.698 7.783 ( 12.990 13.169 9.315) 20.711 8.075 ( 5.770 16.063 -5.763) 18.015 8.308 ( 10.913 5.224 -1.380) 12.178 8.492 ( 11.418 7.089 4.898) 14.304 8.672 ( 4.290 4.045 -0.928) 5.969 8.706 ( 5.819 2.316 3.466) 7.158 9.143 ( 4.814 -8.667 -0.212) 9.916 9.477 ( -5.325 -3.815 -2.224) 6.917 9.656 ( -1.854 -1.823 -1.078) 2.815 9.804 ( -4.897 -1.583 -4.576) 6.887 10.056 ( -0.022 -7.123 13.984) 15.694 10.494 ( -10.087 -10.280 -14.863) 20.696 10.516 ( -3.213 -8.630 -4.085) 10.075 10.647 ( -10.644 -1.680 4.447) 11.657 10.809 ( -7.388 -3.194 -3.999) 8.988 10.829 ( -7.736 0.131 8.720) 11.658 10.934 ( -5.184 -1.878 3.244) 6.397 12.027 ( -6.131 -3.844 -0.101) 7.237 12.106 ( -6.963 -3.198 0.589) 7.685 12.612 ( -7.598 -8.359 2.489) 11.567 12.966 ( 6.924 7.919 -0.756) 10.547 13.031 ( 7.784 4.080 0.218) 8.791 13.109 ( 4.569 -0.329 -8.905) 10.014 14.066 ( 3.960 -1.926 -3.344) 5.529 14.429 ( -0.093 3.921 0.118) 3.924 14.662 ( 6.325 0.858 0.039) 6.383 14.716 ( 4.137 6.671 1.897) 8.075 15.297 ( 4.085 3.258 -3.768) 6.442 15.317 ( 3.924 4.756 1.262) 6.294 16.217 ( -4.718 -2.894 7.416) 9.254 16.421 ( -2.316 -4.079 -1.787) 5.019 16.902 ( -4.131 -3.886 0.384) 5.685 16.959 ( -4.446 -3.471 -1.137) 5.753 20.723 ( -1.657 3.027 0.920) 3.571 20.880 ( -2.137 -1.345 0.975) 2.706 20.903 ( -2.014 -2.270 -0.093) 3.036 21.146 ( 2.494 0.730 -8.592) 8.976 26.888 ( 5.142 1.227 1.963) 5.639 27.065 ( 3.590 -1.236 -3.716) 5.313 27.229 ( -6.873 5.346 -1.652) 8.863 27.334 ( -0.015 0.058 -0.055) 0.082 27.346 ( -0.601 0.270 0.130) 0.671 27.579 ( 1.525 2.052 -9.896) 10.221 28.722 ( -1.538 -1.736 1.316) 2.667 28.884 ( -3.710 1.564 -3.134) 5.102 29.046 ( -6.598 -0.643 1.559) 6.810 29.089 ( -0.654 -7.838 -0.553) 7.885 29.328 ( -6.120 -5.727 3.009) 8.906 29.703 ( -4.578 -6.697 -19.189) 20.833 31.503 ( 1.062 -2.802 0.721) 3.082 31.635 ( -1.560 -2.364 -1.834) 3.375 31.732 ( -0.216 -2.771 -3.118) 4.177 31.945 ( -0.111 4.323 14.466) 15.098 32.412 ( 11.111 7.802 31.380) 34.191 33.512 ( 17.960 15.069 -6.818) 24.416 ======================= Grid point 234 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -13.283 -0.000 13.764) 19.128 1.467 ( -24.902 -0.000 13.060) 28.119 2.090 ( -1.532 -0.000 -5.040) 5.267 2.439 ( 9.827 0.000 12.758) 16.104 2.679 ( -11.891 -0.000 -6.408) 13.508 2.930 ( -7.325 -0.000 -6.802) 9.996 3.165 ( -16.986 -0.000 28.672) 33.326 3.200 ( 2.504 0.000 -8.711) 9.064 3.275 ( -8.187 -0.000 24.442) 25.776 3.356 ( 6.109 0.000 -19.197) 20.146 3.959 ( 11.913 0.000 4.120) 12.606 4.291 ( -10.699 -0.000 -11.954) 16.043 4.317 ( 3.903 0.000 1.912) 4.346 4.428 ( -12.306 -0.000 -0.916) 12.340 4.585 ( -2.700 -0.000 2.389) 3.606 4.835 ( -5.199 -0.000 -8.887) 10.296 4.925 ( 6.310 0.000 6.272) 8.896 4.954 ( 9.366 0.000 -0.786) 9.399 5.123 ( -8.122 -0.000 -2.426) 8.477 5.211 ( 12.331 0.000 2.205) 12.527 5.351 ( -1.753 -0.000 -4.327) 4.669 5.379 ( 2.592 0.000 1.887) 3.206 5.472 ( -1.556 -0.000 -1.197) 1.963 5.538 ( -0.751 -0.000 -6.070) 6.116 5.625 ( 3.369 0.000 -2.610) 4.262 5.747 ( -6.176 -0.000 -24.151) 24.928 6.041 ( 8.605 0.000 -7.879) 11.667 6.157 ( 0.114 0.000 2.611) 2.614 6.198 ( -2.460 -0.000 -12.948) 13.180 6.571 ( -1.433 -0.000 1.528) 2.095 6.676 ( 8.240 0.000 -8.450) 11.802 6.888 ( -13.130 -0.000 11.667) 17.565 7.046 ( -3.723 -0.000 10.108) 10.772 7.253 ( -6.688 -0.000 1.263) 6.806 7.846 ( 29.918 0.000 19.683) 35.812 7.949 ( 34.649 0.000 11.730) 36.581 8.367 ( 16.104 0.000 -5.976) 17.177 8.446 ( 10.518 0.000 -2.577) 10.829 8.558 ( 11.632 0.000 9.766) 15.188 8.789 ( 0.013 0.000 4.320) 4.320 8.865 ( 9.236 0.000 -3.590) 9.909 8.973 ( 9.578 0.000 -12.094) 15.427 9.423 ( -7.245 -0.000 -3.766) 8.165 9.609 ( -5.813 -0.000 0.469) 5.832 9.857 ( -1.131 -0.000 -13.593) 13.640 9.948 ( -5.344 -0.000 17.902) 18.683 10.193 ( -12.069 -0.000 -12.411) 17.312 10.360 ( -9.184 -0.000 4.521) 10.236 10.597 ( -9.017 -0.000 7.096) 11.474 10.683 ( -11.016 -0.000 3.284) 11.495 10.816 ( -9.934 -0.000 -0.506) 9.947 10.923 ( -5.162 -0.000 4.408) 6.788 11.977 ( -5.661 -0.000 1.131) 5.773 12.037 ( -5.692 -0.000 -1.248) 5.827 12.410 ( -18.328 -0.000 2.695) 18.525 12.974 ( 2.494 0.000 -6.466) 6.930 13.141 ( 9.846 0.000 -0.180) 9.848 13.196 ( 0.227 0.000 -7.692) 7.695 14.034 ( 5.539 0.000 -4.544) 7.164 14.575 ( 6.270 0.000 -7.536) 9.803 14.595 ( 1.601 0.000 5.296) 5.533 14.862 ( 4.320 0.000 4.088) 5.948 15.365 ( 6.609 0.000 -3.371) 7.419 15.414 ( 6.244 0.000 1.632) 6.454 16.161 ( -4.002 -0.000 6.001) 7.213 16.333 ( -4.550 -0.000 -0.532) 4.581 16.836 ( -3.677 -0.000 0.328) 3.692 16.892 ( -5.155 -0.000 -1.539) 5.380 20.797 ( -3.185 -0.000 0.259) 3.196 20.852 ( -2.767 -0.000 0.764) 2.870 20.855 ( -2.029 -0.000 1.481) 2.512 21.122 ( -1.094 -0.000 -13.160) 13.205 26.924 ( 4.798 0.000 -0.312) 4.808 27.022 ( 6.901 0.000 -3.112) 7.570 27.329 ( -0.316 -0.000 -0.669) 0.740 27.336 ( -0.063 -0.000 -0.001) 0.063 27.449 ( -7.157 -0.000 -17.458) 18.868 27.562 ( -4.029 -0.000 3.160) 5.120 28.699 ( -0.512 -0.000 0.428) 0.667 28.751 ( 0.795 0.000 -1.215) 1.452 29.050 ( -5.047 -0.000 0.143) 5.049 29.058 ( -4.539 -0.000 -0.941) 4.636 29.206 ( -11.655 -0.000 1.548) 11.757 29.527 ( -14.645 -0.000 -18.407) 23.522 31.454 ( 0.654 0.000 1.646) 1.772 31.592 ( -1.203 -0.000 -0.935) 1.523 31.679 ( 0.789 0.000 -3.924) 4.003 32.007 ( -5.569 -0.000 6.316) 8.420 32.653 ( 32.302 0.000 45.498) 55.799 33.785 ( 21.903 0.000 -4.473) 22.355 ======================= Grid point 235 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -14.606 -10.164 16.928) 24.560 1.623 ( -3.857 -13.717 25.688) 29.375 2.121 ( 0.175 -4.311 2.849) 5.171 2.438 ( -8.130 11.608 4.873) 14.986 2.530 ( 2.324 0.212 1.782) 2.936 2.883 ( 3.118 -1.687 -6.512) 7.414 3.019 ( -8.191 -0.543 6.073) 10.212 3.307 ( -10.837 -5.660 9.253) 15.333 3.359 ( 2.264 -9.745 -4.417) 10.936 3.454 ( -6.930 -11.939 -1.465) 13.882 4.021 ( 1.482 2.679 -9.797) 10.264 4.187 ( 5.201 2.965 2.246) 6.394 4.262 ( -14.434 2.744 6.067) 15.896 4.355 ( 5.743 3.195 3.094) 7.264 4.430 ( -2.251 13.713 2.624) 14.142 4.755 ( -2.451 1.812 -3.699) 4.793 4.917 ( -1.988 3.389 3.225) 5.083 4.955 ( -1.377 11.964 -14.146) 18.578 5.060 ( -3.755 -3.651 -0.080) 5.238 5.174 ( 9.688 -2.269 -6.134) 11.689 5.355 ( -10.664 2.581 -25.991) 28.212 5.411 ( -5.562 -6.940 -1.557) 9.029 5.479 ( -3.262 3.033 -4.988) 6.688 5.611 ( 3.748 -6.745 -1.180) 7.806 5.619 ( 0.452 -5.807 -0.892) 5.893 5.795 ( 9.017 -11.401 2.646) 14.775 6.006 ( 0.681 7.789 0.168) 7.821 6.019 ( 6.760 4.477 -9.032) 12.137 6.329 ( 3.171 -1.995 -2.486) 4.496 6.511 ( 1.330 0.583 2.648) 3.020 6.717 ( -12.075 2.473 8.482) 14.962 6.869 ( 9.245 -6.408 -3.153) 11.682 7.064 ( -7.948 -3.535 3.891) 9.530 7.181 ( -7.537 1.635 -0.533) 7.730 8.047 ( 26.818 14.907 15.915) 34.565 8.240 ( 28.124 12.896 10.480) 32.666 8.443 ( 16.036 16.800 1.221) 23.257 8.504 ( 18.992 4.664 -1.933) 19.652 8.674 ( 7.633 0.872 7.368) 10.645 8.789 ( 3.419 4.179 1.007) 5.493 8.856 ( 10.271 7.252 -3.181) 12.970 9.063 ( 4.864 -4.999 -2.560) 7.430 9.366 ( -5.636 -2.266 -2.172) 6.451 9.580 ( -4.083 -3.040 -2.578) 5.706 9.733 ( -5.977 1.749 -5.893) 8.574 9.999 ( -2.999 -3.837 14.194) 15.006 10.142 ( -11.692 -10.068 -14.427) 21.124 10.351 ( -5.469 -6.369 3.317) 9.026 10.549 ( -6.843 -1.262 3.160) 7.642 10.654 ( -9.142 -4.931 1.478) 10.491 10.751 ( -9.415 -3.045 4.132) 10.723 10.882 ( -5.587 -0.370 2.334) 6.067 11.925 ( -5.558 -1.306 -0.624) 5.743 12.012 ( -4.990 -1.902 0.819) 5.403 12.334 ( -16.187 -11.009 3.126) 19.824 12.934 ( -12.200 -8.584 -17.068) 22.668 13.155 ( 7.686 5.889 0.061) 9.683 13.204 ( 6.936 3.697 -0.723) 7.893 14.082 ( 6.320 -0.745 -3.505) 7.265 14.508 ( 0.890 5.830 -2.437) 6.381 14.696 ( 4.398 -3.062 0.553) 5.388 14.862 ( 2.622 5.399 2.983) 6.702 15.396 ( 7.121 3.408 -2.273) 8.215 15.443 ( 5.188 4.034 1.311) 6.701 16.167 ( -2.150 -1.692 4.905) 5.616 16.319 ( -4.462 -3.662 0.012) 5.773 16.824 ( -2.463 -1.773 0.321) 3.052 16.861 ( -4.119 -2.343 -1.487) 4.967 20.748 ( -2.086 1.895 0.418) 2.848 20.836 ( -3.017 -1.040 0.509) 3.232 20.854 ( -2.413 -1.512 1.004) 3.019 21.075 ( -4.143 -4.001 -12.791) 14.028 26.958 ( 5.067 0.653 -1.162) 5.239 27.080 ( 4.926 -0.423 -2.680) 5.624 27.230 ( -8.862 5.382 -6.786) 12.392 27.334 ( -0.020 0.045 -0.024) 0.055 27.342 ( -0.673 0.025 -0.572) 0.884 27.552 ( -2.556 -1.106 -5.666) 6.313 28.693 ( 0.248 -1.087 1.016) 1.508 28.829 ( -0.660 -4.730 -2.218) 5.265 28.976 ( -3.644 -0.242 -0.830) 3.745 29.012 ( -4.818 0.684 1.450) 5.078 29.162 ( -8.703 -6.418 0.631) 10.833 29.410 ( -13.797 -9.535 -12.084) 20.671 31.474 ( -0.228 -1.462 1.008) 1.790 31.579 ( -2.115 -0.982 -2.539) 3.447 31.697 ( 2.258 -1.665 -1.667) 3.263 31.964 ( -5.528 -0.003 3.362) 6.470 33.019 ( 34.909 17.763 41.278) 56.904 33.877 ( 17.940 10.405 -4.764) 21.280 ======================= Grid point 244 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.632 0.000 33.857) 33.863 1.536 ( 4.139 0.000 43.980) 44.175 2.081 ( 3.429 0.000 -0.948) 3.558 2.412 ( -13.650 -0.000 -0.551) 13.661 2.585 ( 2.269 0.000 -11.055) 11.285 2.860 ( -31.774 -0.000 50.933) 60.031 2.965 ( 14.449 0.000 10.550) 17.891 3.207 ( 5.595 0.000 -13.799) 14.890 3.223 ( -4.277 -0.000 -28.724) 29.041 3.306 ( -6.499 -0.000 0.050) 6.500 3.942 ( -6.228 -0.000 -10.314) 12.049 4.165 ( -15.204 -0.000 9.902) 18.144 4.399 ( 15.704 0.000 9.449) 18.328 4.470 ( 7.768 0.000 3.727) 8.616 4.582 ( 0.465 0.000 0.377) 0.599 4.625 ( -9.879 -0.000 -3.922) 10.629 4.894 ( -3.928 -0.000 -10.173) 10.905 4.957 ( -8.238 -0.000 -1.128) 8.315 5.058 ( -8.799 -0.000 -29.499) 30.783 5.153 ( 7.390 0.000 -15.832) 17.471 5.199 ( -2.956 -0.000 -7.073) 7.665 5.272 ( -5.254 -0.000 -7.350) 9.035 5.409 ( -3.912 -0.000 -2.245) 4.511 5.455 ( -5.462 -0.000 -9.201) 10.701 5.728 ( 3.328 0.000 6.843) 7.609 5.737 ( 9.666 0.000 1.113) 9.730 6.100 ( 10.470 0.000 -4.676) 11.467 6.175 ( 1.426 0.000 -1.812) 2.306 6.277 ( 3.942 0.000 3.708) 5.412 6.612 ( -6.815 -0.000 -7.830) 10.380 6.652 ( 0.668 0.000 9.586) 9.609 6.787 ( 1.025 0.000 8.865) 8.924 6.989 ( -7.588 -0.000 4.650) 8.899 7.170 ( -2.484 -0.000 -0.415) 2.519 8.370 ( 14.149 0.000 4.984) 15.002 8.627 ( 10.401 0.000 2.695) 10.745 8.710 ( 8.891 0.000 8.758) 12.480 8.791 ( 20.396 0.000 8.262) 22.006 8.875 ( 11.418 0.000 9.352) 14.759 8.993 ( 34.387 0.000 -1.026) 34.402 9.016 ( 7.040 0.000 3.530) 7.876 9.128 ( 27.659 0.000 -8.961) 29.074 9.289 ( -3.377 -0.000 -1.991) 3.920 9.481 ( -7.756 -0.000 0.506) 7.772 9.679 ( -7.411 -0.000 -11.387) 13.586 9.873 ( -7.674 -0.000 -10.608) 13.093 10.045 ( -3.312 -0.000 20.712) 20.976 10.251 ( -5.360 -0.000 3.786) 6.562 10.508 ( -3.002 -0.000 0.982) 3.159 10.515 ( -8.734 -0.000 3.852) 9.546 10.628 ( -9.016 -0.000 0.165) 9.018 10.816 ( -7.736 -0.000 -1.172) 7.824 11.880 ( -5.535 -0.000 0.304) 5.543 11.937 ( -3.865 -0.000 -0.951) 3.981 12.081 ( -15.319 -0.000 1.516) 15.394 12.499 ( -37.106 -0.000 -17.940) 41.216 13.275 ( 5.970 0.000 0.332) 5.979 13.291 ( 5.584 0.000 0.093) 5.584 14.129 ( 6.898 0.000 -2.041) 7.194 14.561 ( -1.371 -0.000 -9.862) 9.957 14.698 ( 4.077 0.000 7.209) 8.281 14.935 ( 0.597 0.000 1.852) 1.946 15.498 ( 7.884 0.000 -1.332) 7.996 15.529 ( 3.989 0.000 1.270) 4.186 16.162 ( 1.131 0.000 1.338) 1.752 16.239 ( -5.173 -0.000 1.111) 5.291 16.798 ( -0.852 -0.000 0.326) 0.913 16.808 ( -1.987 -0.000 -0.817) 2.148 20.751 ( -1.215 -0.000 0.027) 1.215 20.800 ( -2.787 -0.000 -0.071) 2.788 20.815 ( -3.387 -0.000 1.056) 3.547 20.900 ( -10.656 -0.000 -8.722) 13.771 26.993 ( 3.467 0.000 -2.918) 4.532 27.083 ( -3.856 -0.000 -7.173) 8.144 27.197 ( -0.311 -0.000 -1.385) 1.419 27.334 ( -0.057 -0.000 -0.040) 0.069 27.335 ( -0.159 -0.000 -0.140) 0.211 27.489 ( -5.072 -0.000 0.061) 5.072 28.698 ( 0.720 0.000 0.447) 0.847 28.775 ( 2.727 0.000 -0.742) 2.827 28.961 ( -3.756 -0.000 -1.126) 3.921 28.987 ( -7.687 -0.000 1.110) 7.767 28.998 ( -5.047 -0.000 -1.030) 5.151 29.144 ( -15.141 -0.000 -1.490) 15.214 31.462 ( -0.674 -0.000 1.105) 1.295 31.544 ( -1.810 -0.000 -2.504) 3.090 31.708 ( 3.601 0.000 -0.180) 3.605 31.915 ( -5.458 -0.000 0.882) 5.529 33.710 ( 41.280 0.000 23.159) 47.333 34.112 ( 14.349 0.000 -2.271) 14.527 =================== 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 3/36450 10.0 815.966 825.484 627.086 -0.000 -170.940 0.000 3/36450 20.0 62.377 54.595 76.716 -0.000 -1.149 0.000 3/36450 30.0 17.836 15.297 23.019 -0.000 0.900 0.000 3/36450 40.0 8.781 7.423 11.338 -0.000 0.696 0.000 3/36450 50.0 5.534 4.628 7.123 -0.000 0.520 0.000 3/36450 60.0 3.995 3.317 5.122 -0.000 0.406 0.000 3/36450 70.0 3.136 2.590 3.998 -0.000 0.330 0.000 3/36450 80.0 2.602 2.140 3.292 -0.000 0.276 0.000 3/36450 90.0 2.242 1.839 2.813 -0.000 0.235 0.000 3/36450 100.0 1.985 1.625 2.468 -0.000 0.205 0.000 3/36450 110.0 1.792 1.465 2.207 -0.000 0.181 0.000 3/36450 120.0 1.641 1.340 2.004 -0.000 0.161 0.000 3/36450 130.0 1.520 1.240 1.840 -0.000 0.145 0.000 3/36450 140.0 1.419 1.158 1.704 -0.000 0.132 0.000 3/36450 150.0 1.334 1.088 1.591 -0.000 0.120 0.000 3/36450 160.0 1.261 1.028 1.494 -0.000 0.111 0.000 3/36450 170.0 1.197 0.976 1.410 -0.000 0.102 0.000 3/36450 180.0 1.140 0.930 1.337 -0.000 0.095 0.000 3/36450 190.0 1.090 0.889 1.273 -0.000 0.088 0.000 3/36450 200.0 1.045 0.852 1.216 -0.000 0.083 0.000 3/36450 210.0 1.003 0.819 1.165 -0.000 0.077 0.000 3/36450 220.0 0.966 0.789 1.120 -0.000 0.073 0.000 3/36450 230.0 0.932 0.761 1.079 -0.000 0.069 0.000 3/36450 240.0 0.900 0.735 1.042 -0.000 0.065 0.000 3/36450 250.0 0.871 0.712 1.008 -0.000 0.062 0.000 3/36450 260.0 0.844 0.690 0.977 -0.000 0.058 0.000 3/36450 270.0 0.819 0.669 0.948 -0.000 0.056 0.000 3/36450 280.0 0.795 0.650 0.922 -0.000 0.053 0.000 3/36450 290.0 0.773 0.632 0.898 -0.000 0.050 0.000 3/36450 300.0 0.753 0.616 0.875 -0.000 0.048 0.000 3/36450 310.0 0.734 0.600 0.854 -0.000 0.046 0.000 3/36450 320.0 0.715 0.585 0.835 -0.000 0.044 0.000 3/36450 330.0 0.698 0.571 0.816 -0.000 0.042 0.000 3/36450 340.0 0.682 0.558 0.799 -0.000 0.041 0.000 3/36450 350.0 0.666 0.545 0.782 -0.000 0.039 0.000 3/36450 360.0 0.652 0.533 0.767 -0.000 0.038 0.000 3/36450 370.0 0.638 0.522 0.752 -0.000 0.036 0.000 3/36450 380.0 0.624 0.511 0.738 -0.000 0.035 0.000 3/36450 390.0 0.611 0.501 0.724 -0.000 0.034 0.000 3/36450 400.0 0.599 0.491 0.711 -0.000 0.033 0.000 3/36450 410.0 0.587 0.481 0.699 -0.000 0.032 0.000 3/36450 420.0 0.576 0.472 0.687 -0.000 0.030 0.000 3/36450 430.0 0.565 0.463 0.675 -0.000 0.030 0.000 3/36450 440.0 0.555 0.455 0.664 -0.000 0.029 0.000 3/36450 450.0 0.545 0.447 0.654 -0.000 0.028 0.000 3/36450 460.0 0.535 0.439 0.643 -0.000 0.027 0.000 3/36450 470.0 0.526 0.431 0.633 -0.000 0.026 0.000 3/36450 480.0 0.517 0.424 0.624 -0.000 0.025 0.000 3/36450 490.0 0.508 0.417 0.614 -0.000 0.025 0.000 3/36450 500.0 0.500 0.410 0.605 -0.000 0.024 0.000 3/36450 510.0 0.492 0.404 0.597 -0.000 0.023 0.000 3/36450 520.0 0.484 0.397 0.588 -0.000 0.023 0.000 3/36450 530.0 0.477 0.391 0.580 -0.000 0.022 0.000 3/36450 540.0 0.469 0.385 0.572 -0.000 0.022 0.000 3/36450 550.0 0.462 0.379 0.564 -0.000 0.021 0.000 3/36450 560.0 0.455 0.374 0.556 -0.000 0.021 0.000 3/36450 570.0 0.448 0.368 0.549 -0.000 0.020 0.000 3/36450 580.0 0.442 0.363 0.542 -0.000 0.020 0.000 3/36450 590.0 0.436 0.358 0.535 -0.000 0.019 0.000 3/36450 600.0 0.429 0.353 0.528 -0.000 0.019 0.000 3/36450 610.0 0.423 0.348 0.521 -0.000 0.018 0.000 3/36450 620.0 0.418 0.343 0.514 -0.000 0.018 0.000 3/36450 630.0 0.412 0.338 0.508 -0.000 0.018 0.000 3/36450 640.0 0.406 0.334 0.502 -0.000 0.017 0.000 3/36450 650.0 0.401 0.329 0.496 -0.000 0.017 0.000 3/36450 660.0 0.396 0.325 0.490 -0.000 0.017 0.000 3/36450 670.0 0.391 0.321 0.484 -0.000 0.016 0.000 3/36450 680.0 0.386 0.317 0.478 -0.000 0.016 0.000 3/36450 690.0 0.381 0.313 0.473 -0.000 0.016 0.000 3/36450 700.0 0.376 0.309 0.467 -0.000 0.015 0.000 3/36450 710.0 0.371 0.305 0.462 -0.000 0.015 0.000 3/36450 720.0 0.367 0.301 0.457 -0.000 0.015 0.000 3/36450 730.0 0.362 0.298 0.451 -0.000 0.015 0.000 3/36450 740.0 0.358 0.294 0.446 -0.000 0.014 0.000 3/36450 750.0 0.354 0.291 0.441 -0.000 0.014 0.000 3/36450 760.0 0.350 0.287 0.437 -0.000 0.014 0.000 3/36450 770.0 0.346 0.284 0.432 -0.000 0.014 0.000 3/36450 780.0 0.342 0.281 0.427 -0.000 0.013 0.000 3/36450 790.0 0.338 0.278 0.423 -0.000 0.013 0.000 3/36450 800.0 0.334 0.275 0.418 -0.000 0.013 0.000 3/36450 810.0 0.330 0.272 0.414 -0.000 0.013 0.000 3/36450 820.0 0.327 0.269 0.410 -0.000 0.013 0.000 3/36450 830.0 0.323 0.266 0.405 -0.000 0.012 0.000 3/36450 840.0 0.320 0.263 0.401 -0.000 0.012 0.000 3/36450 850.0 0.316 0.260 0.397 -0.000 0.012 0.000 3/36450 860.0 0.313 0.257 0.393 -0.000 0.012 0.000 3/36450 870.0 0.310 0.255 0.389 -0.000 0.012 0.000 3/36450 880.0 0.307 0.252 0.386 -0.000 0.012 0.000 3/36450 890.0 0.303 0.249 0.382 -0.000 0.011 0.000 3/36450 900.0 0.300 0.247 0.378 -0.000 0.011 0.000 3/36450 910.0 0.297 0.244 0.375 -0.000 0.011 0.000 3/36450 920.0 0.294 0.242 0.371 -0.000 0.011 0.000 3/36450 930.0 0.292 0.240 0.368 -0.000 0.011 0.000 3/36450 940.0 0.289 0.237 0.364 -0.000 0.011 0.000 3/36450 950.0 0.286 0.235 0.361 -0.000 0.011 0.000 3/36450 960.0 0.283 0.233 0.358 -0.000 0.010 0.000 3/36450 970.0 0.280 0.231 0.354 -0.000 0.010 0.000 3/36450 980.0 0.278 0.228 0.351 -0.000 0.010 0.000 3/36450 990.0 0.275 0.226 0.348 -0.000 0.010 0.000 3/36450 1000.0 0.273 0.224 0.345 -0.000 0.010 0.000 3/36450 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|