----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:42:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.504952565034595 -5.050783430000000 0.000000000000000 b 6.504952565034595 5.050783430000000 0.000000000000000 c -0.058603006273273 0.000000000000000 6.370429888908308 Atomic positions (fractional): *1 Nd 0.19108345073652 0.55762279094100 0.03069240487186 144.242 2 Nd 0.44237720905900 0.80891654926348 0.46930759512815 144.242 3 Nd 0.80891654926348 0.44237720905900 0.96930759512815 144.242 4 Nd 0.55762279094100 0.19108345073652 0.53069240487185 144.242 *5 Nd 0.75446612760869 0.91543674783463 0.06936235004372 144.242 6 Nd 0.08456325216537 0.24553387239131 0.43063764995628 144.242 7 Nd 0.24553387239131 0.08456325216537 0.93063764995628 144.242 8 Nd 0.91543674783463 0.75446612760869 0.56936235004372 144.242 *9 N 0.08188268693896 0.32953208391821 0.08507216925880 14.007 10 N 0.67046791608179 0.91811731306104 0.41492783074120 14.007 11 N 0.91811731306104 0.67046791608179 0.91492783074120 14.007 12 N 0.32953208391821 0.08188268693896 0.58507216925880 14.007 *13 Se 0.09622960159067 0.90377039840933 0.25000000000000 78.960 14 Se 0.90377039840933 0.09622960159067 0.75000000000000 78.960 *15 Se 0.51608119612066 0.25544808556267 0.03409566357029 78.960 16 Se 0.74455191443734 0.48391880387934 0.46590433642971 78.960 17 Se 0.48391880387934 0.74455191443734 0.96590433642971 78.960 18 Se 0.25544808556267 0.51608119612066 0.53409566357029 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.009905130069189 0.000000000000000 0.000000000000000 b 0.000000000000000 10.101566860000000 0.000000000000000 c -0.058603006273273 0.000000000000000 6.370429888908308 Atomic positions (fractional): *1 Nd 0.37435312083876 0.18326967010224 0.03069240487186 144.242 > 1 2 Nd 0.62564687916124 0.18326967010224 0.46930759512815 144.242 > 2 3 Nd 0.62564687916124 0.81673032989776 0.96930759512815 144.242 > 3 4 Nd 0.37435312083876 0.81673032989776 0.53069240487185 144.242 > 4 *5 Nd 0.83495143772166 0.08048531011297 0.06936235004372 144.242 > 5 6 Nd 0.16504856227834 0.08048531011297 0.43063764995628 144.242 > 6 7 Nd 0.16504856227834 0.91951468988703 0.93063764995628 144.242 > 7 8 Nd 0.83495143772166 0.91951468988703 0.56936235004372 144.242 > 8 9 Nd 0.87435312083876 0.68326967010224 0.03069240487186 144.242 > 1 10 Nd 0.12564687916124 0.68326967010224 0.46930759512815 144.242 > 2 11 Nd 0.12564687916124 0.31673032989776 0.96930759512815 144.242 > 3 12 Nd 0.87435312083876 0.31673032989776 0.53069240487185 144.242 > 4 13 Nd 0.33495143772166 0.58048531011297 0.06936235004372 144.242 > 5 14 Nd 0.66504856227834 0.58048531011297 0.43063764995628 144.242 > 6 15 Nd 0.66504856227834 0.41951468988703 0.93063764995628 144.242 > 7 16 Nd 0.33495143772166 0.41951468988703 0.56936235004372 144.242 > 8 *17 N 0.20570738542859 0.12382469848963 0.08507216925880 14.007 > 9 18 N 0.79429261457141 0.12382469848963 0.41492783074120 14.007 > 10 19 N 0.79429261457141 0.87617530151037 0.91492783074120 14.007 > 11 20 N 0.20570738542859 0.87617530151037 0.58507216925880 14.007 > 12 21 N 0.70570738542859 0.62382469848963 0.08507216925880 14.007 > 9 22 N 0.29429261457141 0.62382469848963 0.41492783074120 14.007 > 10 23 N 0.29429261457141 0.37617530151037 0.91492783074120 14.007 > 11 24 N 0.70570738542859 0.37617530151037 0.58507216925880 14.007 > 12 *25 Se 0.50000000000000 0.40377039840933 0.25000000000000 78.960 > 13 26 Se 0.50000000000000 0.59622960159067 0.75000000000000 78.960 > 14 *27 Se 0.38576464084166 0.86968344472100 0.03409566357029 78.960 > 15 28 Se 0.61423535915834 0.86968344472100 0.46590433642971 78.960 > 16 29 Se 0.61423535915834 0.13031655527900 0.96590433642971 78.960 > 17 30 Se 0.38576464084166 0.13031655527900 0.53409566357029 78.960 > 18 31 Se 0.00000000000000 0.90377039840933 0.25000000000000 78.960 > 13 32 Se 0.00000000000000 0.09622960159067 0.75000000000000 78.960 > 14 33 Se 0.88576464084166 0.36968344472100 0.03409566357029 78.960 > 15 34 Se 0.11423535915834 0.36968344472100 0.46590433642971 78.960 > 16 35 Se 0.11423535915834 0.63031655527900 0.96590433642971 78.960 > 17 36 Se 0.88576464084166 0.63031655527900 0.53409566357029 78.960 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.009905130069189 0.000000000000000 0.000000000000000 b 0.000000000000000 20.203133720000000 0.000000000000000 c -0.117206012546546 0.000000000000000 12.740859777816617 Atomic positions (fractional): *1 Nd 0.37435312083876 0.09163483505112 0.01534620243593 144.242 > 1 2 Nd 0.37435312083876 0.59163483505112 0.01534620243593 144.242 > 1 3 Nd 0.37435312083876 0.09163483505112 0.51534620243593 144.242 > 1 4 Nd 0.37435312083876 0.59163483505112 0.51534620243593 144.242 > 1 5 Nd 0.62564687916124 0.09163483505112 0.23465379756407 144.242 > 2 6 Nd 0.62564687916124 0.59163483505112 0.23465379756407 144.242 > 2 7 Nd 0.62564687916124 0.09163483505112 0.73465379756407 144.242 > 2 8 Nd 0.62564687916124 0.59163483505112 0.73465379756407 144.242 > 2 9 Nd 0.62564687916124 0.40836516494888 0.48465379756407 144.242 > 3 10 Nd 0.62564687916124 0.90836516494888 0.48465379756407 144.242 > 3 11 Nd 0.62564687916124 0.40836516494888 0.98465379756407 144.242 > 3 12 Nd 0.62564687916124 0.90836516494888 0.98465379756407 144.242 > 3 13 Nd 0.37435312083876 0.40836516494888 0.26534620243593 144.242 > 4 14 Nd 0.37435312083876 0.90836516494888 0.26534620243593 144.242 > 4 15 Nd 0.37435312083876 0.40836516494888 0.76534620243593 144.242 > 4 16 Nd 0.37435312083876 0.90836516494888 0.76534620243593 144.242 > 4 *17 Nd 0.83495143772166 0.04024265505649 0.03468117502186 144.242 > 5 18 Nd 0.83495143772166 0.54024265505649 0.03468117502186 144.242 > 5 19 Nd 0.83495143772166 0.04024265505649 0.53468117502186 144.242 > 5 20 Nd 0.83495143772166 0.54024265505649 0.53468117502186 144.242 > 5 21 Nd 0.16504856227834 0.04024265505649 0.21531882497814 144.242 > 6 22 Nd 0.16504856227834 0.54024265505649 0.21531882497814 144.242 > 6 23 Nd 0.16504856227834 0.04024265505649 0.71531882497814 144.242 > 6 24 Nd 0.16504856227834 0.54024265505649 0.71531882497814 144.242 > 6 25 Nd 0.16504856227834 0.45975734494351 0.46531882497814 144.242 > 7 26 Nd 0.16504856227834 0.95975734494351 0.46531882497814 144.242 > 7 27 Nd 0.16504856227834 0.45975734494351 0.96531882497814 144.242 > 7 28 Nd 0.16504856227834 0.95975734494351 0.96531882497814 144.242 > 7 29 Nd 0.83495143772166 0.45975734494351 0.28468117502186 144.242 > 8 30 Nd 0.83495143772166 0.95975734494351 0.28468117502186 144.242 > 8 31 Nd 0.83495143772166 0.45975734494351 0.78468117502186 144.242 > 8 32 Nd 0.83495143772166 0.95975734494351 0.78468117502186 144.242 > 8 33 Nd 0.87435312083876 0.34163483505112 0.01534620243593 144.242 > 1 34 Nd 0.87435312083876 0.84163483505112 0.01534620243593 144.242 > 1 35 Nd 0.87435312083876 0.34163483505112 0.51534620243593 144.242 > 1 36 Nd 0.87435312083876 0.84163483505112 0.51534620243593 144.242 > 1 37 Nd 0.12564687916124 0.34163483505112 0.23465379756407 144.242 > 2 38 Nd 0.12564687916124 0.84163483505112 0.23465379756407 144.242 > 2 39 Nd 0.12564687916124 0.34163483505112 0.73465379756407 144.242 > 2 40 Nd 0.12564687916124 0.84163483505112 0.73465379756407 144.242 > 2 41 Nd 0.12564687916124 0.15836516494888 0.48465379756407 144.242 > 3 42 Nd 0.12564687916124 0.65836516494888 0.48465379756407 144.242 > 3 43 Nd 0.12564687916124 0.15836516494888 0.98465379756407 144.242 > 3 44 Nd 0.12564687916124 0.65836516494888 0.98465379756407 144.242 > 3 45 Nd 0.87435312083876 0.15836516494888 0.26534620243593 144.242 > 4 46 Nd 0.87435312083876 0.65836516494888 0.26534620243593 144.242 > 4 47 Nd 0.87435312083876 0.15836516494888 0.76534620243593 144.242 > 4 48 Nd 0.87435312083876 0.65836516494888 0.76534620243593 144.242 > 4 49 Nd 0.33495143772166 0.29024265505649 0.03468117502186 144.242 > 5 50 Nd 0.33495143772166 0.79024265505649 0.03468117502186 144.242 > 5 51 Nd 0.33495143772166 0.29024265505649 0.53468117502186 144.242 > 5 52 Nd 0.33495143772166 0.79024265505649 0.53468117502186 144.242 > 5 53 Nd 0.66504856227834 0.29024265505649 0.21531882497814 144.242 > 6 54 Nd 0.66504856227834 0.79024265505649 0.21531882497814 144.242 > 6 55 Nd 0.66504856227834 0.29024265505649 0.71531882497814 144.242 > 6 56 Nd 0.66504856227834 0.79024265505649 0.71531882497814 144.242 > 6 57 Nd 0.66504856227834 0.20975734494351 0.46531882497814 144.242 > 7 58 Nd 0.66504856227834 0.70975734494351 0.46531882497814 144.242 > 7 59 Nd 0.66504856227834 0.20975734494351 0.96531882497814 144.242 > 7 60 Nd 0.66504856227834 0.70975734494351 0.96531882497814 144.242 > 7 61 Nd 0.33495143772166 0.20975734494351 0.28468117502186 144.242 > 8 62 Nd 0.33495143772166 0.70975734494351 0.28468117502186 144.242 > 8 63 Nd 0.33495143772166 0.20975734494351 0.78468117502186 144.242 > 8 64 Nd 0.33495143772166 0.70975734494351 0.78468117502186 144.242 > 8 *65 N 0.20570738542859 0.06191234924481 0.04253608462940 14.007 > 9 66 N 0.20570738542859 0.56191234924481 0.04253608462940 14.007 > 9 67 N 0.20570738542859 0.06191234924481 0.54253608462940 14.007 > 9 68 N 0.20570738542859 0.56191234924481 0.54253608462940 14.007 > 9 69 N 0.79429261457141 0.06191234924481 0.20746391537060 14.007 > 10 70 N 0.79429261457141 0.56191234924481 0.20746391537060 14.007 > 10 71 N 0.79429261457141 0.06191234924481 0.70746391537060 14.007 > 10 72 N 0.79429261457141 0.56191234924481 0.70746391537060 14.007 > 10 73 N 0.79429261457141 0.43808765075519 0.45746391537060 14.007 > 11 74 N 0.79429261457141 0.93808765075519 0.45746391537060 14.007 > 11 75 N 0.79429261457141 0.43808765075519 0.95746391537060 14.007 > 11 76 N 0.79429261457141 0.93808765075519 0.95746391537060 14.007 > 11 77 N 0.20570738542859 0.43808765075519 0.29253608462940 14.007 > 12 78 N 0.20570738542859 0.93808765075519 0.29253608462940 14.007 > 12 79 N 0.20570738542859 0.43808765075519 0.79253608462940 14.007 > 12 80 N 0.20570738542859 0.93808765075519 0.79253608462940 14.007 > 12 81 N 0.70570738542859 0.31191234924481 0.04253608462940 14.007 > 9 82 N 0.70570738542859 0.81191234924481 0.04253608462940 14.007 > 9 83 N 0.70570738542859 0.31191234924481 0.54253608462940 14.007 > 9 84 N 0.70570738542859 0.81191234924481 0.54253608462940 14.007 > 9 85 N 0.29429261457141 0.31191234924481 0.20746391537060 14.007 > 10 86 N 0.29429261457141 0.81191234924481 0.20746391537060 14.007 > 10 87 N 0.29429261457141 0.31191234924481 0.70746391537060 14.007 > 10 88 N 0.29429261457141 0.81191234924481 0.70746391537060 14.007 > 10 89 N 0.29429261457141 0.18808765075519 0.45746391537060 14.007 > 11 90 N 0.29429261457141 0.68808765075519 0.45746391537060 14.007 > 11 91 N 0.29429261457141 0.18808765075519 0.95746391537060 14.007 > 11 92 N 0.29429261457141 0.68808765075519 0.95746391537060 14.007 > 11 93 N 0.70570738542859 0.18808765075519 0.29253608462940 14.007 > 12 94 N 0.70570738542859 0.68808765075519 0.29253608462940 14.007 > 12 95 N 0.70570738542859 0.18808765075519 0.79253608462940 14.007 > 12 96 N 0.70570738542859 0.68808765075519 0.79253608462940 14.007 > 12 *97 Se 0.50000000000000 0.20188519920466 0.12500000000000 78.960 > 13 98 Se 0.50000000000000 0.70188519920466 0.12500000000000 78.960 > 13 99 Se 0.50000000000000 0.20188519920466 0.62500000000000 78.960 > 13 100 Se 0.50000000000000 0.70188519920466 0.62500000000000 78.960 > 13 101 Se 0.50000000000000 0.29811480079534 0.37500000000000 78.960 > 14 102 Se 0.50000000000000 0.79811480079534 0.37500000000000 78.960 > 14 103 Se 0.50000000000000 0.29811480079534 0.87500000000000 78.960 > 14 104 Se 0.50000000000000 0.79811480079534 0.87500000000000 78.960 > 14 *105 Se 0.38576464084166 0.43484172236050 0.01704783178515 78.960 > 15 106 Se 0.38576464084166 0.93484172236050 0.01704783178515 78.960 > 15 107 Se 0.38576464084166 0.43484172236050 0.51704783178515 78.960 > 15 108 Se 0.38576464084166 0.93484172236050 0.51704783178515 78.960 > 15 109 Se 0.61423535915834 0.43484172236050 0.23295216821486 78.960 > 16 110 Se 0.61423535915834 0.93484172236050 0.23295216821486 78.960 > 16 111 Se 0.61423535915834 0.43484172236050 0.73295216821485 78.960 > 16 112 Se 0.61423535915834 0.93484172236050 0.73295216821485 78.960 > 16 113 Se 0.61423535915834 0.06515827763950 0.48295216821485 78.960 > 17 114 Se 0.61423535915834 0.56515827763950 0.48295216821485 78.960 > 17 115 Se 0.61423535915834 0.06515827763950 0.98295216821485 78.960 > 17 116 Se 0.61423535915834 0.56515827763950 0.98295216821485 78.960 > 17 117 Se 0.38576464084166 0.06515827763950 0.26704783178515 78.960 > 18 118 Se 0.38576464084166 0.56515827763950 0.26704783178515 78.960 > 18 119 Se 0.38576464084166 0.06515827763950 0.76704783178515 78.960 > 18 120 Se 0.38576464084166 0.56515827763950 0.76704783178515 78.960 > 18 121 Se 0.00000000000000 0.45188519920466 0.12500000000000 78.960 > 13 122 Se 0.00000000000000 0.95188519920466 0.12500000000000 78.960 > 13 123 Se 0.00000000000000 0.45188519920466 0.62500000000000 78.960 > 13 124 Se 0.00000000000000 0.95188519920466 0.62500000000000 78.960 > 13 125 Se 0.00000000000000 0.04811480079534 0.37500000000000 78.960 > 14 126 Se 0.00000000000000 0.54811480079534 0.37500000000000 78.960 > 14 127 Se 0.00000000000000 0.04811480079534 0.87500000000000 78.960 > 14 128 Se 0.00000000000000 0.54811480079534 0.87500000000000 78.960 > 14 129 Se 0.88576464084166 0.18484172236050 0.01704783178515 78.960 > 15 130 Se 0.88576464084166 0.68484172236050 0.01704783178515 78.960 > 15 131 Se 0.88576464084166 0.18484172236050 0.51704783178515 78.960 > 15 132 Se 0.88576464084166 0.68484172236050 0.51704783178515 78.960 > 15 133 Se 0.11423535915834 0.18484172236050 0.23295216821486 78.960 > 16 134 Se 0.11423535915834 0.68484172236050 0.23295216821486 78.960 > 16 135 Se 0.11423535915834 0.18484172236050 0.73295216821485 78.960 > 16 136 Se 0.11423535915834 0.68484172236050 0.73295216821485 78.960 > 16 137 Se 0.11423535915834 0.31515827763950 0.48295216821485 78.960 > 17 138 Se 0.11423535915834 0.81515827763950 0.48295216821485 78.960 > 17 139 Se 0.11423535915834 0.31515827763950 0.98295216821485 78.960 > 17 140 Se 0.11423535915834 0.81515827763950 0.98295216821485 78.960 > 17 141 Se 0.88576464084166 0.31515827763950 0.26704783178515 78.960 > 18 142 Se 0.88576464084166 0.81515827763950 0.26704783178515 78.960 > 18 143 Se 0.88576464084166 0.31515827763950 0.76704783178515 78.960 > 18 144 Se 0.88576464084166 0.81515827763950 0.76704783178515 78.960 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2190935 0.0000000 -0.2518887 0.0000000 8.5327767 0.0000000 -0.2518918 0.0000000 8.4286509 -------------------------- Born effective charges -------------------------- 1 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 2 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 3 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 4 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 5 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 6 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 7 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 8 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 9 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 10 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 11 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 12 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 13 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 14 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 15 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 16 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 17 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 18 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.109 Solver_block: 200 / 560 - Time: 0.937 Solver_block: 300 / 560 - Time: 0.925 Solver_block: 400 / 560 - Time: 1.851 Solver_block: 500 / 560 - Time: 0.889 Solver_block: 560 / 560 - Time: 0.736 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.775 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:43:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:43:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.504952565034595 -5.050783430000000 0.000000000000000 b 6.504952565034595 5.050783430000000 0.000000000000000 c -0.058603006273273 0.000000000000000 6.370429888908308 Atomic positions (fractional): 1 Nd 0.19108345073652 0.55762279094100 0.03069240487186 144.242 2 Nd 0.44237720905900 0.80891654926348 0.46930759512815 144.242 3 Nd 0.80891654926348 0.44237720905900 0.96930759512815 144.242 4 Nd 0.55762279094100 0.19108345073652 0.53069240487185 144.242 5 Nd 0.75446612760869 0.91543674783463 0.06936235004372 144.242 6 Nd 0.08456325216537 0.24553387239131 0.43063764995628 144.242 7 Nd 0.24553387239131 0.08456325216537 0.93063764995628 144.242 8 Nd 0.91543674783463 0.75446612760869 0.56936235004372 144.242 9 N 0.08188268693896 0.32953208391821 0.08507216925880 14.007 10 N 0.67046791608179 0.91811731306104 0.41492783074120 14.007 11 N 0.91811731306104 0.67046791608179 0.91492783074120 14.007 12 N 0.32953208391821 0.08188268693896 0.58507216925880 14.007 13 Se 0.09622960159067 0.90377039840933 0.25000000000000 78.960 14 Se 0.90377039840933 0.09622960159067 0.75000000000000 78.960 15 Se 0.51608119612066 0.25544808556267 0.03409566357029 78.960 16 Se 0.74455191443734 0.48391880387934 0.46590433642971 78.960 17 Se 0.48391880387934 0.74455191443734 0.96590433642971 78.960 18 Se 0.25544808556267 0.51608119612066 0.53409566357029 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.009905130069189 0.000000000000000 0.000000000000000 b 0.000000000000000 20.203133720000000 0.000000000000000 c -0.117206012546546 0.000000000000000 12.740859777816617 Atomic positions (fractional): 1 Nd 0.37435312083876 0.09163483505112 0.01534620243593 144.242 > 1 2 Nd 0.37435312083876 0.59163483505112 0.01534620243593 144.242 > 1 3 Nd 0.37435312083876 0.09163483505112 0.51534620243593 144.242 > 1 4 Nd 0.37435312083876 0.59163483505112 0.51534620243593 144.242 > 1 5 Nd 0.62564687916124 0.09163483505112 0.23465379756407 144.242 > 5 6 Nd 0.62564687916124 0.59163483505112 0.23465379756407 144.242 > 5 7 Nd 0.62564687916124 0.09163483505112 0.73465379756407 144.242 > 5 8 Nd 0.62564687916124 0.59163483505112 0.73465379756407 144.242 > 5 9 Nd 0.62564687916124 0.40836516494888 0.48465379756407 144.242 > 9 10 Nd 0.62564687916124 0.90836516494888 0.48465379756407 144.242 > 9 11 Nd 0.62564687916124 0.40836516494888 0.98465379756407 144.242 > 9 12 Nd 0.62564687916124 0.90836516494888 0.98465379756407 144.242 > 9 13 Nd 0.37435312083876 0.40836516494888 0.26534620243593 144.242 > 13 14 Nd 0.37435312083876 0.90836516494888 0.26534620243593 144.242 > 13 15 Nd 0.37435312083876 0.40836516494888 0.76534620243593 144.242 > 13 16 Nd 0.37435312083876 0.90836516494888 0.76534620243593 144.242 > 13 17 Nd 0.83495143772166 0.04024265505649 0.03468117502186 144.242 > 17 18 Nd 0.83495143772166 0.54024265505649 0.03468117502186 144.242 > 17 19 Nd 0.83495143772166 0.04024265505649 0.53468117502186 144.242 > 17 20 Nd 0.83495143772166 0.54024265505649 0.53468117502186 144.242 > 17 21 Nd 0.16504856227834 0.04024265505649 0.21531882497814 144.242 > 21 22 Nd 0.16504856227834 0.54024265505649 0.21531882497814 144.242 > 21 23 Nd 0.16504856227834 0.04024265505649 0.71531882497814 144.242 > 21 24 Nd 0.16504856227834 0.54024265505649 0.71531882497814 144.242 > 21 25 Nd 0.16504856227834 0.45975734494351 0.46531882497814 144.242 > 25 26 Nd 0.16504856227834 0.95975734494351 0.46531882497814 144.242 > 25 27 Nd 0.16504856227834 0.45975734494351 0.96531882497814 144.242 > 25 28 Nd 0.16504856227834 0.95975734494351 0.96531882497814 144.242 > 25 29 Nd 0.83495143772166 0.45975734494351 0.28468117502186 144.242 > 29 30 Nd 0.83495143772166 0.95975734494351 0.28468117502186 144.242 > 29 31 Nd 0.83495143772166 0.45975734494351 0.78468117502186 144.242 > 29 32 Nd 0.83495143772166 0.95975734494351 0.78468117502186 144.242 > 29 33 Nd 0.87435312083876 0.34163483505112 0.01534620243593 144.242 > 1 34 Nd 0.87435312083876 0.84163483505112 0.01534620243593 144.242 > 1 35 Nd 0.87435312083876 0.34163483505112 0.51534620243593 144.242 > 1 36 Nd 0.87435312083876 0.84163483505112 0.51534620243593 144.242 > 1 37 Nd 0.12564687916124 0.34163483505112 0.23465379756407 144.242 > 5 38 Nd 0.12564687916124 0.84163483505112 0.23465379756407 144.242 > 5 39 Nd 0.12564687916124 0.34163483505112 0.73465379756407 144.242 > 5 40 Nd 0.12564687916124 0.84163483505112 0.73465379756407 144.242 > 5 41 Nd 0.12564687916124 0.15836516494888 0.48465379756407 144.242 > 9 42 Nd 0.12564687916124 0.65836516494888 0.48465379756407 144.242 > 9 43 Nd 0.12564687916124 0.15836516494888 0.98465379756407 144.242 > 9 44 Nd 0.12564687916124 0.65836516494888 0.98465379756407 144.242 > 9 45 Nd 0.87435312083876 0.15836516494888 0.26534620243593 144.242 > 13 46 Nd 0.87435312083876 0.65836516494888 0.26534620243593 144.242 > 13 47 Nd 0.87435312083876 0.15836516494888 0.76534620243593 144.242 > 13 48 Nd 0.87435312083876 0.65836516494888 0.76534620243593 144.242 > 13 49 Nd 0.33495143772166 0.29024265505649 0.03468117502186 144.242 > 17 50 Nd 0.33495143772166 0.79024265505649 0.03468117502186 144.242 > 17 51 Nd 0.33495143772166 0.29024265505649 0.53468117502186 144.242 > 17 52 Nd 0.33495143772166 0.79024265505649 0.53468117502186 144.242 > 17 53 Nd 0.66504856227834 0.29024265505649 0.21531882497814 144.242 > 21 54 Nd 0.66504856227834 0.79024265505649 0.21531882497814 144.242 > 21 55 Nd 0.66504856227834 0.29024265505649 0.71531882497814 144.242 > 21 56 Nd 0.66504856227834 0.79024265505649 0.71531882497814 144.242 > 21 57 Nd 0.66504856227834 0.20975734494351 0.46531882497814 144.242 > 25 58 Nd 0.66504856227834 0.70975734494351 0.46531882497814 144.242 > 25 59 Nd 0.66504856227834 0.20975734494351 0.96531882497814 144.242 > 25 60 Nd 0.66504856227834 0.70975734494351 0.96531882497814 144.242 > 25 61 Nd 0.33495143772166 0.20975734494351 0.28468117502186 144.242 > 29 62 Nd 0.33495143772166 0.70975734494351 0.28468117502186 144.242 > 29 63 Nd 0.33495143772166 0.20975734494351 0.78468117502186 144.242 > 29 64 Nd 0.33495143772166 0.70975734494351 0.78468117502186 144.242 > 29 65 N 0.20570738542859 0.06191234924481 0.04253608462940 14.007 > 65 66 N 0.20570738542859 0.56191234924481 0.04253608462940 14.007 > 65 67 N 0.20570738542859 0.06191234924481 0.54253608462940 14.007 > 65 68 N 0.20570738542859 0.56191234924481 0.54253608462940 14.007 > 65 69 N 0.79429261457141 0.06191234924481 0.20746391537060 14.007 > 69 70 N 0.79429261457141 0.56191234924481 0.20746391537060 14.007 > 69 71 N 0.79429261457141 0.06191234924481 0.70746391537060 14.007 > 69 72 N 0.79429261457141 0.56191234924481 0.70746391537060 14.007 > 69 73 N 0.79429261457141 0.43808765075519 0.45746391537060 14.007 > 73 74 N 0.79429261457141 0.93808765075519 0.45746391537060 14.007 > 73 75 N 0.79429261457141 0.43808765075519 0.95746391537060 14.007 > 73 76 N 0.79429261457141 0.93808765075519 0.95746391537060 14.007 > 73 77 N 0.20570738542859 0.43808765075519 0.29253608462940 14.007 > 77 78 N 0.20570738542859 0.93808765075519 0.29253608462940 14.007 > 77 79 N 0.20570738542859 0.43808765075519 0.79253608462940 14.007 > 77 80 N 0.20570738542859 0.93808765075519 0.79253608462940 14.007 > 77 81 N 0.70570738542859 0.31191234924481 0.04253608462940 14.007 > 65 82 N 0.70570738542859 0.81191234924481 0.04253608462940 14.007 > 65 83 N 0.70570738542859 0.31191234924481 0.54253608462940 14.007 > 65 84 N 0.70570738542859 0.81191234924481 0.54253608462940 14.007 > 65 85 N 0.29429261457141 0.31191234924481 0.20746391537060 14.007 > 69 86 N 0.29429261457141 0.81191234924481 0.20746391537060 14.007 > 69 87 N 0.29429261457141 0.31191234924481 0.70746391537060 14.007 > 69 88 N 0.29429261457141 0.81191234924481 0.70746391537060 14.007 > 69 89 N 0.29429261457141 0.18808765075519 0.45746391537060 14.007 > 73 90 N 0.29429261457141 0.68808765075519 0.45746391537060 14.007 > 73 91 N 0.29429261457141 0.18808765075519 0.95746391537060 14.007 > 73 92 N 0.29429261457141 0.68808765075519 0.95746391537060 14.007 > 73 93 N 0.70570738542859 0.18808765075519 0.29253608462940 14.007 > 77 94 N 0.70570738542859 0.68808765075519 0.29253608462940 14.007 > 77 95 N 0.70570738542859 0.18808765075519 0.79253608462940 14.007 > 77 96 N 0.70570738542859 0.68808765075519 0.79253608462940 14.007 > 77 97 Se 0.50000000000000 0.20188519920466 0.12500000000000 78.960 > 97 98 Se 0.50000000000000 0.70188519920466 0.12500000000000 78.960 > 97 99 Se 0.50000000000000 0.20188519920466 0.62500000000000 78.960 > 97 100 Se 0.50000000000000 0.70188519920466 0.62500000000000 78.960 > 97 101 Se 0.50000000000000 0.29811480079534 0.37500000000000 78.960 > 101 102 Se 0.50000000000000 0.79811480079534 0.37500000000000 78.960 > 101 103 Se 0.50000000000000 0.29811480079534 0.87500000000000 78.960 > 101 104 Se 0.50000000000000 0.79811480079534 0.87500000000000 78.960 > 101 105 Se 0.38576464084166 0.43484172236050 0.01704783178515 78.960 > 105 106 Se 0.38576464084166 0.93484172236050 0.01704783178515 78.960 > 105 107 Se 0.38576464084166 0.43484172236050 0.51704783178515 78.960 > 105 108 Se 0.38576464084166 0.93484172236050 0.51704783178515 78.960 > 105 109 Se 0.61423535915834 0.43484172236050 0.23295216821486 78.960 > 109 110 Se 0.61423535915834 0.93484172236050 0.23295216821486 78.960 > 109 111 Se 0.61423535915834 0.43484172236050 0.73295216821485 78.960 > 109 112 Se 0.61423535915834 0.93484172236050 0.73295216821485 78.960 > 109 113 Se 0.61423535915834 0.06515827763950 0.48295216821485 78.960 > 113 114 Se 0.61423535915834 0.56515827763950 0.48295216821485 78.960 > 113 115 Se 0.61423535915834 0.06515827763950 0.98295216821485 78.960 > 113 116 Se 0.61423535915834 0.56515827763950 0.98295216821485 78.960 > 113 117 Se 0.38576464084166 0.06515827763950 0.26704783178515 78.960 > 117 118 Se 0.38576464084166 0.56515827763950 0.26704783178515 78.960 > 117 119 Se 0.38576464084166 0.06515827763950 0.76704783178515 78.960 > 117 120 Se 0.38576464084166 0.56515827763950 0.76704783178515 78.960 > 117 121 Se 0.00000000000000 0.45188519920466 0.12500000000000 78.960 > 97 122 Se 0.00000000000000 0.95188519920466 0.12500000000000 78.960 > 97 123 Se 0.00000000000000 0.45188519920466 0.62500000000000 78.960 > 97 124 Se 0.00000000000000 0.95188519920466 0.62500000000000 78.960 > 97 125 Se 0.00000000000000 0.04811480079534 0.37500000000000 78.960 > 101 126 Se 0.00000000000000 0.54811480079534 0.37500000000000 78.960 > 101 127 Se 0.00000000000000 0.04811480079534 0.87500000000000 78.960 > 101 128 Se 0.00000000000000 0.54811480079534 0.87500000000000 78.960 > 101 129 Se 0.88576464084166 0.18484172236050 0.01704783178515 78.960 > 105 130 Se 0.88576464084166 0.68484172236050 0.01704783178515 78.960 > 105 131 Se 0.88576464084166 0.18484172236050 0.51704783178515 78.960 > 105 132 Se 0.88576464084166 0.68484172236050 0.51704783178515 78.960 > 105 133 Se 0.11423535915834 0.18484172236050 0.23295216821486 78.960 > 109 134 Se 0.11423535915834 0.68484172236050 0.23295216821486 78.960 > 109 135 Se 0.11423535915834 0.18484172236050 0.73295216821485 78.960 > 109 136 Se 0.11423535915834 0.68484172236050 0.73295216821485 78.960 > 109 137 Se 0.11423535915834 0.31515827763950 0.48295216821485 78.960 > 113 138 Se 0.11423535915834 0.81515827763950 0.48295216821485 78.960 > 113 139 Se 0.11423535915834 0.31515827763950 0.98295216821485 78.960 > 113 140 Se 0.11423535915834 0.81515827763950 0.98295216821485 78.960 > 113 141 Se 0.88576464084166 0.31515827763950 0.26704783178515 78.960 > 117 142 Se 0.88576464084166 0.81515827763950 0.26704783178515 78.960 > 117 143 Se 0.88576464084166 0.31515827763950 0.76704783178515 78.960 > 117 144 Se 0.88576464084166 0.81515827763950 0.76704783178515 78.960 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2190935 0.0000000 -0.2518887 0.0000000 8.5327767 0.0000000 -0.2518918 0.0000000 8.4286509 -------------------------- Born effective charges -------------------------- 1 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 2 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 3 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 4 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 5 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 6 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 7 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 8 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 9 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 10 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 11 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 12 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 13 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 14 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 15 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 16 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 17 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 18 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:44:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:44:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.504952565034595 -5.050783430000000 0.000000000000000 b 6.504952565034595 5.050783430000000 0.000000000000000 c -0.058603006273273 0.000000000000000 6.370429888908308 Atomic positions (fractional): 1 Nd 0.19108345073652 0.55762279094100 0.03069240487186 144.242 2 Nd 0.44237720905900 0.80891654926348 0.46930759512815 144.242 3 Nd 0.80891654926348 0.44237720905900 0.96930759512815 144.242 4 Nd 0.55762279094100 0.19108345073652 0.53069240487185 144.242 5 Nd 0.75446612760869 0.91543674783463 0.06936235004372 144.242 6 Nd 0.08456325216537 0.24553387239131 0.43063764995628 144.242 7 Nd 0.24553387239131 0.08456325216537 0.93063764995628 144.242 8 Nd 0.91543674783463 0.75446612760869 0.56936235004372 144.242 9 N 0.08188268693896 0.32953208391821 0.08507216925880 14.007 10 N 0.67046791608179 0.91811731306104 0.41492783074120 14.007 11 N 0.91811731306104 0.67046791608179 0.91492783074120 14.007 12 N 0.32953208391821 0.08188268693896 0.58507216925880 14.007 13 Se 0.09622960159067 0.90377039840933 0.25000000000000 78.960 14 Se 0.90377039840933 0.09622960159067 0.75000000000000 78.960 15 Se 0.51608119612066 0.25544808556267 0.03409566357029 78.960 16 Se 0.74455191443734 0.48391880387934 0.46590433642971 78.960 17 Se 0.48391880387934 0.74455191443734 0.96590433642971 78.960 18 Se 0.25544808556267 0.51608119612066 0.53409566357029 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.009905130069189 0.000000000000000 0.000000000000000 b 0.000000000000000 20.203133720000000 0.000000000000000 c -0.117206012546546 0.000000000000000 12.740859777816617 Atomic positions (fractional): 1 Nd 0.37435312083876 0.09163483505112 0.01534620243593 144.242 > 1 2 Nd 0.37435312083876 0.59163483505112 0.01534620243593 144.242 > 1 3 Nd 0.37435312083876 0.09163483505112 0.51534620243593 144.242 > 1 4 Nd 0.37435312083876 0.59163483505112 0.51534620243593 144.242 > 1 5 Nd 0.62564687916124 0.09163483505112 0.23465379756407 144.242 > 5 6 Nd 0.62564687916124 0.59163483505112 0.23465379756407 144.242 > 5 7 Nd 0.62564687916124 0.09163483505112 0.73465379756407 144.242 > 5 8 Nd 0.62564687916124 0.59163483505112 0.73465379756407 144.242 > 5 9 Nd 0.62564687916124 0.40836516494888 0.48465379756407 144.242 > 9 10 Nd 0.62564687916124 0.90836516494888 0.48465379756407 144.242 > 9 11 Nd 0.62564687916124 0.40836516494888 0.98465379756407 144.242 > 9 12 Nd 0.62564687916124 0.90836516494888 0.98465379756407 144.242 > 9 13 Nd 0.37435312083876 0.40836516494888 0.26534620243593 144.242 > 13 14 Nd 0.37435312083876 0.90836516494888 0.26534620243593 144.242 > 13 15 Nd 0.37435312083876 0.40836516494888 0.76534620243593 144.242 > 13 16 Nd 0.37435312083876 0.90836516494888 0.76534620243593 144.242 > 13 17 Nd 0.83495143772166 0.04024265505649 0.03468117502186 144.242 > 17 18 Nd 0.83495143772166 0.54024265505649 0.03468117502186 144.242 > 17 19 Nd 0.83495143772166 0.04024265505649 0.53468117502186 144.242 > 17 20 Nd 0.83495143772166 0.54024265505649 0.53468117502186 144.242 > 17 21 Nd 0.16504856227834 0.04024265505649 0.21531882497814 144.242 > 21 22 Nd 0.16504856227834 0.54024265505649 0.21531882497814 144.242 > 21 23 Nd 0.16504856227834 0.04024265505649 0.71531882497814 144.242 > 21 24 Nd 0.16504856227834 0.54024265505649 0.71531882497814 144.242 > 21 25 Nd 0.16504856227834 0.45975734494351 0.46531882497814 144.242 > 25 26 Nd 0.16504856227834 0.95975734494351 0.46531882497814 144.242 > 25 27 Nd 0.16504856227834 0.45975734494351 0.96531882497814 144.242 > 25 28 Nd 0.16504856227834 0.95975734494351 0.96531882497814 144.242 > 25 29 Nd 0.83495143772166 0.45975734494351 0.28468117502186 144.242 > 29 30 Nd 0.83495143772166 0.95975734494351 0.28468117502186 144.242 > 29 31 Nd 0.83495143772166 0.45975734494351 0.78468117502186 144.242 > 29 32 Nd 0.83495143772166 0.95975734494351 0.78468117502186 144.242 > 29 33 Nd 0.87435312083876 0.34163483505112 0.01534620243593 144.242 > 1 34 Nd 0.87435312083876 0.84163483505112 0.01534620243593 144.242 > 1 35 Nd 0.87435312083876 0.34163483505112 0.51534620243593 144.242 > 1 36 Nd 0.87435312083876 0.84163483505112 0.51534620243593 144.242 > 1 37 Nd 0.12564687916124 0.34163483505112 0.23465379756407 144.242 > 5 38 Nd 0.12564687916124 0.84163483505112 0.23465379756407 144.242 > 5 39 Nd 0.12564687916124 0.34163483505112 0.73465379756407 144.242 > 5 40 Nd 0.12564687916124 0.84163483505112 0.73465379756407 144.242 > 5 41 Nd 0.12564687916124 0.15836516494888 0.48465379756407 144.242 > 9 42 Nd 0.12564687916124 0.65836516494888 0.48465379756407 144.242 > 9 43 Nd 0.12564687916124 0.15836516494888 0.98465379756407 144.242 > 9 44 Nd 0.12564687916124 0.65836516494888 0.98465379756407 144.242 > 9 45 Nd 0.87435312083876 0.15836516494888 0.26534620243593 144.242 > 13 46 Nd 0.87435312083876 0.65836516494888 0.26534620243593 144.242 > 13 47 Nd 0.87435312083876 0.15836516494888 0.76534620243593 144.242 > 13 48 Nd 0.87435312083876 0.65836516494888 0.76534620243593 144.242 > 13 49 Nd 0.33495143772166 0.29024265505649 0.03468117502186 144.242 > 17 50 Nd 0.33495143772166 0.79024265505649 0.03468117502186 144.242 > 17 51 Nd 0.33495143772166 0.29024265505649 0.53468117502186 144.242 > 17 52 Nd 0.33495143772166 0.79024265505649 0.53468117502186 144.242 > 17 53 Nd 0.66504856227834 0.29024265505649 0.21531882497814 144.242 > 21 54 Nd 0.66504856227834 0.79024265505649 0.21531882497814 144.242 > 21 55 Nd 0.66504856227834 0.29024265505649 0.71531882497814 144.242 > 21 56 Nd 0.66504856227834 0.79024265505649 0.71531882497814 144.242 > 21 57 Nd 0.66504856227834 0.20975734494351 0.46531882497814 144.242 > 25 58 Nd 0.66504856227834 0.70975734494351 0.46531882497814 144.242 > 25 59 Nd 0.66504856227834 0.20975734494351 0.96531882497814 144.242 > 25 60 Nd 0.66504856227834 0.70975734494351 0.96531882497814 144.242 > 25 61 Nd 0.33495143772166 0.20975734494351 0.28468117502186 144.242 > 29 62 Nd 0.33495143772166 0.70975734494351 0.28468117502186 144.242 > 29 63 Nd 0.33495143772166 0.20975734494351 0.78468117502186 144.242 > 29 64 Nd 0.33495143772166 0.70975734494351 0.78468117502186 144.242 > 29 65 N 0.20570738542859 0.06191234924481 0.04253608462940 14.007 > 65 66 N 0.20570738542859 0.56191234924481 0.04253608462940 14.007 > 65 67 N 0.20570738542859 0.06191234924481 0.54253608462940 14.007 > 65 68 N 0.20570738542859 0.56191234924481 0.54253608462940 14.007 > 65 69 N 0.79429261457141 0.06191234924481 0.20746391537060 14.007 > 69 70 N 0.79429261457141 0.56191234924481 0.20746391537060 14.007 > 69 71 N 0.79429261457141 0.06191234924481 0.70746391537060 14.007 > 69 72 N 0.79429261457141 0.56191234924481 0.70746391537060 14.007 > 69 73 N 0.79429261457141 0.43808765075519 0.45746391537060 14.007 > 73 74 N 0.79429261457141 0.93808765075519 0.45746391537060 14.007 > 73 75 N 0.79429261457141 0.43808765075519 0.95746391537060 14.007 > 73 76 N 0.79429261457141 0.93808765075519 0.95746391537060 14.007 > 73 77 N 0.20570738542859 0.43808765075519 0.29253608462940 14.007 > 77 78 N 0.20570738542859 0.93808765075519 0.29253608462940 14.007 > 77 79 N 0.20570738542859 0.43808765075519 0.79253608462940 14.007 > 77 80 N 0.20570738542859 0.93808765075519 0.79253608462940 14.007 > 77 81 N 0.70570738542859 0.31191234924481 0.04253608462940 14.007 > 65 82 N 0.70570738542859 0.81191234924481 0.04253608462940 14.007 > 65 83 N 0.70570738542859 0.31191234924481 0.54253608462940 14.007 > 65 84 N 0.70570738542859 0.81191234924481 0.54253608462940 14.007 > 65 85 N 0.29429261457141 0.31191234924481 0.20746391537060 14.007 > 69 86 N 0.29429261457141 0.81191234924481 0.20746391537060 14.007 > 69 87 N 0.29429261457141 0.31191234924481 0.70746391537060 14.007 > 69 88 N 0.29429261457141 0.81191234924481 0.70746391537060 14.007 > 69 89 N 0.29429261457141 0.18808765075519 0.45746391537060 14.007 > 73 90 N 0.29429261457141 0.68808765075519 0.45746391537060 14.007 > 73 91 N 0.29429261457141 0.18808765075519 0.95746391537060 14.007 > 73 92 N 0.29429261457141 0.68808765075519 0.95746391537060 14.007 > 73 93 N 0.70570738542859 0.18808765075519 0.29253608462940 14.007 > 77 94 N 0.70570738542859 0.68808765075519 0.29253608462940 14.007 > 77 95 N 0.70570738542859 0.18808765075519 0.79253608462940 14.007 > 77 96 N 0.70570738542859 0.68808765075519 0.79253608462940 14.007 > 77 97 Se 0.50000000000000 0.20188519920466 0.12500000000000 78.960 > 97 98 Se 0.50000000000000 0.70188519920466 0.12500000000000 78.960 > 97 99 Se 0.50000000000000 0.20188519920466 0.62500000000000 78.960 > 97 100 Se 0.50000000000000 0.70188519920466 0.62500000000000 78.960 > 97 101 Se 0.50000000000000 0.29811480079534 0.37500000000000 78.960 > 101 102 Se 0.50000000000000 0.79811480079534 0.37500000000000 78.960 > 101 103 Se 0.50000000000000 0.29811480079534 0.87500000000000 78.960 > 101 104 Se 0.50000000000000 0.79811480079534 0.87500000000000 78.960 > 101 105 Se 0.38576464084166 0.43484172236050 0.01704783178515 78.960 > 105 106 Se 0.38576464084166 0.93484172236050 0.01704783178515 78.960 > 105 107 Se 0.38576464084166 0.43484172236050 0.51704783178515 78.960 > 105 108 Se 0.38576464084166 0.93484172236050 0.51704783178515 78.960 > 105 109 Se 0.61423535915834 0.43484172236050 0.23295216821486 78.960 > 109 110 Se 0.61423535915834 0.93484172236050 0.23295216821486 78.960 > 109 111 Se 0.61423535915834 0.43484172236050 0.73295216821485 78.960 > 109 112 Se 0.61423535915834 0.93484172236050 0.73295216821485 78.960 > 109 113 Se 0.61423535915834 0.06515827763950 0.48295216821485 78.960 > 113 114 Se 0.61423535915834 0.56515827763950 0.48295216821485 78.960 > 113 115 Se 0.61423535915834 0.06515827763950 0.98295216821485 78.960 > 113 116 Se 0.61423535915834 0.56515827763950 0.98295216821485 78.960 > 113 117 Se 0.38576464084166 0.06515827763950 0.26704783178515 78.960 > 117 118 Se 0.38576464084166 0.56515827763950 0.26704783178515 78.960 > 117 119 Se 0.38576464084166 0.06515827763950 0.76704783178515 78.960 > 117 120 Se 0.38576464084166 0.56515827763950 0.76704783178515 78.960 > 117 121 Se 0.00000000000000 0.45188519920466 0.12500000000000 78.960 > 97 122 Se 0.00000000000000 0.95188519920466 0.12500000000000 78.960 > 97 123 Se 0.00000000000000 0.45188519920466 0.62500000000000 78.960 > 97 124 Se 0.00000000000000 0.95188519920466 0.62500000000000 78.960 > 97 125 Se 0.00000000000000 0.04811480079534 0.37500000000000 78.960 > 101 126 Se 0.00000000000000 0.54811480079534 0.37500000000000 78.960 > 101 127 Se 0.00000000000000 0.04811480079534 0.87500000000000 78.960 > 101 128 Se 0.00000000000000 0.54811480079534 0.87500000000000 78.960 > 101 129 Se 0.88576464084166 0.18484172236050 0.01704783178515 78.960 > 105 130 Se 0.88576464084166 0.68484172236050 0.01704783178515 78.960 > 105 131 Se 0.88576464084166 0.18484172236050 0.51704783178515 78.960 > 105 132 Se 0.88576464084166 0.68484172236050 0.51704783178515 78.960 > 105 133 Se 0.11423535915834 0.18484172236050 0.23295216821486 78.960 > 109 134 Se 0.11423535915834 0.68484172236050 0.23295216821486 78.960 > 109 135 Se 0.11423535915834 0.18484172236050 0.73295216821485 78.960 > 109 136 Se 0.11423535915834 0.68484172236050 0.73295216821485 78.960 > 109 137 Se 0.11423535915834 0.31515827763950 0.48295216821485 78.960 > 113 138 Se 0.11423535915834 0.81515827763950 0.48295216821485 78.960 > 113 139 Se 0.11423535915834 0.31515827763950 0.98295216821485 78.960 > 113 140 Se 0.11423535915834 0.81515827763950 0.98295216821485 78.960 > 113 141 Se 0.88576464084166 0.31515827763950 0.26704783178515 78.960 > 117 142 Se 0.88576464084166 0.81515827763950 0.26704783178515 78.960 > 117 143 Se 0.88576464084166 0.31515827763950 0.76704783178515 78.960 > 117 144 Se 0.88576464084166 0.81515827763950 0.76704783178515 78.960 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2190935 0.0000000 -0.2518887 0.0000000 8.5327767 0.0000000 -0.2518918 0.0000000 8.4286509 -------------------------- Born effective charges -------------------------- 1 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 2 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 3 Nd 4.1342180 0.1292635 0.1454240 0.2131544 4.0130540 -0.4783312 0.1896209 -0.4049072 3.4433821 4 Nd 4.1342180 -0.1292635 0.1454240 -0.2131544 4.0130540 0.4783312 0.1896209 0.4049072 3.4433821 5 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 6 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 7 Nd 3.6610437 -0.5721560 -0.4006819 -0.7634494 4.0791468 0.6041138 -0.4056386 0.6958498 4.0320221 8 Nd 3.6610437 0.5721560 -0.4006819 0.7634494 4.0791468 -0.6041138 -0.4056386 -0.6958498 4.0320221 9 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 10 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 11 N -3.7131310 -0.1493096 0.2730172 -0.3762940 -4.3516874 0.4421497 0.0775733 -0.0081601 -3.8077744 12 N -3.7131310 0.1493096 0.2730172 0.3762940 -4.3516874 -0.4421497 0.0775733 0.0081601 -3.8077744 13 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 14 Se -3.1333594 0.0000000 0.0344284 0.0000000 -2.3828922 0.0000000 0.3985799 0.0000000 -2.0419757 15 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 16 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 17 Se -2.5154510 0.1979936 -0.0349736 0.2510568 -2.5490673 0.0494969 -0.0608455 0.0434227 -2.6466419 18 Se -2.5154510 -0.1979936 -0.0349736 -0.2510568 -2.5490673 -0.0494969 -0.0608455 -0.0434227 -2.6466419 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 301, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/89) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 11.791 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 14.188 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.240 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/89) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 15.500 -15.935 4.631) 22.708 0.539 ( 18.870 -17.212 5.427) 26.110 0.926 ( 23.493 -35.987 -5.470) 43.323 1.999 ( -6.501 1.698 -0.737) 6.760 2.134 ( -5.956 7.664 0.357) 9.713 2.173 ( -3.024 1.648 2.325) 4.156 2.238 ( 1.205 3.058 -2.728) 4.271 2.323 ( -0.151 2.394 -1.333) 2.744 2.399 ( -4.276 -0.582 -0.208) 4.321 2.518 ( -3.519 2.162 -1.507) 4.396 2.585 ( 0.301 -3.227 -2.657) 4.191 2.647 ( 0.847 -1.653 0.256) 1.875 2.710 ( -0.072 -3.395 1.739) 3.815 2.831 ( 4.180 1.788 0.619) 4.588 2.882 ( -3.793 -3.622 -0.280) 5.252 2.914 ( 5.210 -5.685 0.056) 7.711 2.968 ( -0.089 -5.932 -1.662) 6.161 3.000 ( -0.754 -8.442 1.833) 8.671 3.320 ( 4.914 10.010 0.227) 11.153 3.587 ( 1.809 3.273 3.564) 5.166 3.714 ( -0.874 7.014 -0.409) 7.080 3.858 ( -1.635 -0.642 0.281) 1.779 3.927 ( -2.319 4.151 -0.822) 4.825 3.993 ( -3.989 -2.788 3.405) 5.939 4.049 ( -1.133 0.307 -1.280) 1.736 4.119 ( 1.663 -1.766 0.440) 2.465 4.176 ( 0.254 -0.695 -0.658) 0.990 4.251 ( -4.447 -7.014 -2.657) 8.720 4.297 ( -0.432 -3.649 2.011) 4.188 4.441 ( 0.948 3.740 0.392) 3.878 4.496 ( 1.611 1.570 4.314) 4.865 4.527 ( -1.011 1.727 1.062) 2.265 4.587 ( -0.333 -0.245 1.294) 1.359 4.675 ( -0.526 1.489 -0.804) 1.772 4.722 ( 0.949 1.878 -7.325) 7.621 4.921 ( 2.046 -3.096 -2.165) 4.297 5.132 ( -0.797 7.416 6.155) 9.671 5.417 ( -1.470 1.286 4.209) 4.641 5.562 ( -0.298 1.367 1.279) 1.895 5.791 ( 0.383 0.533 -1.743) 1.862 5.853 ( 15.484 7.750 -8.843) 19.443 6.079 ( -1.079 0.156 1.148) 1.583 11.798 ( -0.649 -0.688 -1.609) 1.866 11.811 ( 0.437 -0.981 -0.893) 1.396 12.056 ( -3.540 2.339 -3.797) 5.694 12.133 ( 0.259 1.940 5.471) 5.811 13.115 ( -41.650 -41.523 -0.198) 58.813 13.966 ( 1.702 16.956 12.119) 20.911 14.258 ( -3.303 -4.500 -1.813) 5.869 14.509 ( 2.065 -13.078 -1.052) 13.282 14.716 ( 2.604 -2.075 8.148) 8.802 15.875 ( -2.794 20.479 -5.545) 21.400 16.587 ( 15.759 -5.159 -14.253) 21.866 17.115 ( -0.472 -1.536 -0.329) 1.640 ======================= Grid point 2 (3/89) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 14.292 -14.109 3.870) 20.453 1.039 ( 17.103 -14.917 4.167) 23.073 1.739 ( 16.577 -27.612 -7.016) 32.961 1.789 ( -10.953 8.201 -0.899) 13.712 1.890 ( -10.937 8.073 0.466) 13.602 2.124 ( -2.054 -0.262 -2.024) 2.896 2.202 ( 0.983 2.410 2.193) 3.403 2.296 ( 0.982 1.793 -1.608) 2.601 2.354 ( 0.717 1.351 1.192) 1.939 2.446 ( -3.333 1.198 0.107) 3.544 2.667 ( 1.312 -3.932 -3.400) 5.361 2.680 ( 1.272 -1.029 -0.635) 1.755 2.778 ( 0.975 -3.555 5.400) 6.538 2.827 ( 0.365 1.929 -0.796) 2.118 2.903 ( -3.568 -4.118 -1.508) 5.654 3.044 ( -1.749 -1.464 -2.005) 3.037 3.082 ( -1.144 -7.972 -2.310) 8.379 3.144 ( 3.466 -6.942 3.610) 8.558 3.207 ( 3.260 7.408 0.547) 8.112 3.491 ( -2.693 9.078 4.797) 10.615 3.602 ( 0.397 4.355 -1.129) 4.517 3.776 ( 0.002 3.879 -0.884) 3.978 3.883 ( -1.615 -0.070 -0.398) 1.665 3.951 ( -1.062 2.357 0.422) 2.620 4.082 ( -1.434 -3.376 0.678) 3.730 4.133 ( 0.319 3.521 -1.090) 3.700 4.196 ( -0.120 -1.933 5.610) 5.935 4.279 ( -3.018 -1.737 -2.069) 4.050 4.340 ( -2.178 0.499 -0.192) 2.242 4.367 ( 0.606 -1.600 0.192) 1.721 4.499 ( 2.890 1.864 1.789) 3.876 4.531 ( 4.564 0.321 -0.913) 4.666 4.585 ( -2.674 0.430 0.450) 2.745 4.631 ( 0.404 2.026 1.017) 2.303 4.756 ( -0.302 -3.522 -6.268) 7.196 4.963 ( -1.611 1.843 -0.840) 2.588 5.020 ( 1.273 1.164 -0.070) 1.727 5.343 ( -2.919 3.676 6.072) 7.674 5.556 ( 0.283 -0.242 0.129) 0.394 5.764 ( 0.630 2.336 -1.545) 2.870 5.936 ( 7.185 0.958 -5.257) 8.954 6.058 ( -2.214 -0.241 2.210) 3.138 11.800 ( 0.568 0.188 0.692) 0.914 11.850 ( -0.908 -3.792 -4.013) 5.595 11.968 ( -2.904 2.439 -1.484) 4.073 12.093 ( 0.465 3.220 3.775) 4.984 13.297 ( -16.421 -24.623 -5.928) 30.185 13.722 ( 2.212 15.723 10.777) 19.189 14.288 ( -4.287 -4.768 -1.470) 6.578 14.699 ( 0.612 -7.320 0.420) 7.357 14.838 ( 14.451 1.108 4.078) 15.056 15.526 ( -10.276 10.824 -2.403) 15.117 16.807 ( 6.933 -3.641 -5.441) 9.536 17.139 ( -0.419 -1.863 -0.446) 1.961 ======================= Grid point 3 (4/89) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 0.000 -0.000) 0.000 1.378 ( -0.000 0.000 -0.000) 0.000 1.554 ( 0.000 -0.000 0.000) 0.000 1.648 ( 0.000 -0.000 0.000) 0.000 2.043 ( 0.000 -0.000 0.000) 0.000 2.147 ( 0.000 -0.000 -0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 -0.000 -0.000) 0.000 2.353 ( -0.000 0.000 0.000) 0.000 2.376 ( 0.000 -0.000 0.000) 0.000 2.708 ( 0.000 -0.000 0.000) 0.000 2.715 ( -0.000 0.000 0.000) 0.000 2.806 ( 0.000 -0.000 0.000) 0.000 2.829 ( 0.000 0.000 -0.000) 0.000 2.890 ( 0.000 -0.000 0.000) 0.000 2.959 ( 0.000 -0.000 0.000) 0.000 3.146 ( 0.000 -0.000 -0.000) 0.000 3.200 ( 0.000 -0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 -0.000 -0.000) 0.000 3.605 ( 0.000 -0.000 0.000) 0.000 3.750 ( 0.000 -0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 -0.000 -0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.115 ( 0.000 -0.000 0.000) 0.000 4.213 ( 0.000 -0.000 -0.000) 0.000 4.283 ( 0.000 -0.000 -0.000) 0.000 4.320 ( 0.000 -0.000 -0.000) 0.000 4.389 ( 0.000 -0.000 -0.000) 0.000 4.515 ( 0.000 -0.000 0.000) 0.000 4.543 ( -0.000 -0.000 -0.000) 0.000 4.583 ( -0.000 -0.000 0.000) 0.000 4.602 ( 0.000 -0.000 -0.000) 0.000 4.791 ( 0.000 -0.000 -0.000) 0.000 4.908 ( 0.000 -0.000 0.000) 0.000 5.056 ( 0.000 -0.000 0.000) 0.000 5.274 ( 0.000 -0.000 -0.000) 0.000 5.562 ( 0.000 -0.000 0.000) 0.000 5.746 ( 0.000 -0.000 -0.000) 0.000 5.982 ( -0.000 -0.000 0.000) 0.000 6.039 ( 0.000 -0.000 -0.000) 0.000 11.802 ( 0.000 -0.000 0.000) 0.000 11.896 ( 0.000 -0.000 -0.000) 0.000 11.913 ( 0.000 -0.000 0.000) 0.000 12.063 ( 0.000 -0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 13.535 ( 0.000 -0.000 -0.000) 0.000 14.300 ( 0.000 -0.000 0.000) 0.000 14.765 ( 0.000 -0.000 0.000) 0.000 14.965 ( 0.000 -0.000 0.000) 0.000 15.329 ( 0.000 -0.000 -0.000) 0.000 16.880 ( 0.000 -0.000 0.000) 0.000 17.155 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 8 (5/89) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 22.696 0.000 -3.033) 22.897 0.620 ( 23.547 0.000 -2.467) 23.676 1.133 ( 42.041 0.000 3.120) 42.156 1.912 ( -8.957 -0.000 -0.709) 8.985 2.087 ( -12.442 -0.000 2.514) 12.693 2.139 ( -4.596 -0.000 0.748) 4.657 2.259 ( 1.911 0.000 -2.834) 3.418 2.354 ( 1.432 0.000 -4.438) 4.663 2.366 ( -0.940 -0.000 0.616) 1.124 2.455 ( -4.435 -0.000 0.442) 4.457 2.560 ( -3.459 -0.000 -1.328) 3.705 2.665 ( 3.552 0.000 1.070) 3.710 2.676 ( 0.493 0.000 -4.713) 4.738 2.808 ( -1.938 -0.000 1.051) 2.205 2.843 ( -4.243 -0.000 0.865) 4.330 2.856 ( -1.478 -0.000 -2.196) 2.647 2.911 ( 0.629 0.000 -2.645) 2.719 3.035 ( 10.763 0.000 3.314) 11.262 3.496 ( 7.611 0.000 0.732) 7.646 3.648 ( 1.614 0.000 7.515) 7.686 3.778 ( -4.294 -0.000 -0.097) 4.295 3.863 ( -0.828 -0.000 1.878) 2.052 3.867 ( -0.322 -0.000 -0.784) 0.848 3.951 ( -4.662 -0.000 -1.246) 4.826 4.030 ( -0.870 -0.000 1.579) 1.803 4.103 ( 0.071 0.000 2.694) 2.694 4.139 ( 3.292 0.000 -2.794) 4.318 4.190 ( 1.187 0.000 -2.484) 2.753 4.262 ( -0.656 -0.000 1.339) 1.491 4.413 ( -3.965 -0.000 2.515) 4.696 4.537 ( 0.195 0.000 -0.450) 0.490 4.575 ( -5.019 -0.000 0.007) 5.019 4.601 ( 2.282 0.000 2.732) 3.560 4.644 ( 5.049 0.000 -4.414) 6.706 4.813 ( 1.558 0.000 -0.367) 1.600 4.887 ( 1.370 0.000 -5.715) 5.877 5.136 ( -8.303 -0.000 5.948) 10.214 5.404 ( -2.029 -0.000 4.955) 5.354 5.556 ( -3.407 -0.000 1.827) 3.865 5.787 ( 1.401 0.000 -4.258) 4.482 6.057 ( -2.219 -0.000 2.284) 3.184 6.159 ( 3.606 0.000 -7.844) 8.633 11.768 ( -1.503 -0.000 -4.128) 4.393 11.837 ( 2.236 0.000 0.823) 2.382 12.049 ( -4.147 -0.000 4.017) 5.773 12.172 ( 1.676 0.000 0.394) 1.722 12.227 ( -0.119 -0.000 -1.818) 1.822 14.098 ( -5.023 -0.000 0.981) 5.117 14.291 ( 1.444 0.000 -1.352) 1.978 14.423 ( 4.579 0.000 10.298) 11.271 14.535 ( -0.730 -0.000 -0.781) 1.069 16.363 ( 6.190 0.000 2.638) 6.729 16.478 ( -0.951 -0.000 -18.590) 18.614 17.099 ( -0.491 -0.000 0.572) 0.753 ======================= Grid point 9 (6/89) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 19.201 -7.524 0.106) 20.622 1.065 ( 19.492 -13.195 -1.238) 23.571 1.690 ( 12.996 -4.164 -1.816) 13.767 1.776 ( 5.193 0.143 -1.118) 5.314 1.883 ( -9.395 4.931 2.663) 10.940 2.082 ( -3.431 -0.695 -0.366) 3.519 2.249 ( 0.228 3.209 0.018) 3.217 2.328 ( -2.348 0.918 -1.051) 2.731 2.381 ( 1.670 0.321 0.073) 1.703 2.417 ( -1.825 0.109 -0.453) 1.884 2.575 ( 0.559 -6.026 -2.413) 6.515 2.676 ( 0.011 -1.537 -1.440) 2.106 2.745 ( 1.261 -1.675 2.360) 3.157 2.760 ( -3.453 -2.062 -0.034) 4.022 2.846 ( -4.126 -4.502 -1.280) 6.239 2.908 ( -1.936 -6.194 -2.644) 7.008 2.951 ( 3.367 -2.799 -1.355) 4.584 3.159 ( 5.503 -0.810 2.459) 6.081 3.475 ( 4.492 12.413 1.382) 13.273 3.607 ( -0.751 6.425 6.549) 9.205 3.692 ( 1.082 4.525 0.836) 4.727 3.818 ( -0.001 -0.325 1.551) 1.585 3.876 ( -0.980 1.857 -3.949) 4.472 3.962 ( -3.141 -6.240 1.019) 7.060 4.007 ( 0.521 3.362 1.506) 3.721 4.096 ( -4.302 -1.657 2.778) 5.382 4.171 ( 0.876 0.392 -1.698) 1.950 4.220 ( 0.699 -2.915 -3.169) 4.362 4.321 ( -0.532 -1.434 -0.344) 1.568 4.346 ( -1.033 -0.813 1.967) 2.366 4.481 ( -5.945 -1.617 1.010) 6.243 4.561 ( -0.796 -1.123 -0.701) 1.544 4.622 ( 2.574 1.168 1.078) 3.025 4.713 ( 5.007 0.875 -3.358) 6.092 4.764 ( 2.774 5.941 -2.846) 7.148 4.947 ( -1.221 -1.112 -1.193) 2.038 5.004 ( -5.206 0.091 1.283) 5.363 5.357 ( -3.008 2.183 4.872) 6.128 5.505 ( -4.875 -1.299 2.769) 5.755 5.802 ( 1.282 0.892 -4.889) 5.133 6.017 ( -2.631 0.958 2.967) 4.079 6.137 ( 6.686 6.655 -4.964) 10.660 11.758 ( -1.521 -2.062 -4.382) 5.077 11.855 ( 2.183 1.675 0.171) 2.757 11.953 ( -3.105 1.614 -0.779) 3.585 12.171 ( 1.899 2.809 3.049) 4.560 12.577 ( -8.986 -33.131 -1.253) 34.351 13.960 ( -1.221 9.702 8.605) 13.026 14.200 ( -2.033 3.831 -6.089) 7.475 14.549 ( 1.430 -8.457 -2.299) 8.880 14.772 ( 2.243 -18.951 6.144) 20.048 15.938 ( 4.682 34.326 -2.855) 34.762 16.775 ( 3.572 -12.093 -4.185) 13.286 17.094 ( -1.267 -0.806 0.378) 1.548 ======================= Grid point 10 (7/89) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.568 -0.254 -0.290) 6.579 1.413 ( 3.110 0.887 -0.406) 3.259 1.576 ( 5.377 -3.593 -5.074) 8.220 1.638 ( -4.924 3.025 3.217) 6.614 2.010 ( -1.247 -1.804 0.416) 2.232 2.169 ( 3.572 1.068 1.341) 3.962 2.221 ( 1.752 -4.078 -5.140) 6.792 2.283 ( -2.862 -0.493 0.472) 2.942 2.409 ( 2.042 0.627 1.635) 2.690 2.427 ( 4.647 -0.219 3.362) 5.740 2.698 ( -5.738 -4.963 -1.964) 7.837 2.707 ( 1.394 -1.906 -0.248) 2.374 2.735 ( 1.547 0.955 -0.572) 1.906 2.811 ( -0.466 -2.637 1.954) 3.315 2.832 ( -3.371 -0.198 -1.931) 3.890 2.991 ( 1.863 -4.219 -3.127) 5.572 3.087 ( 3.273 -4.949 -1.318) 6.078 3.176 ( -0.351 -2.013 3.001) 3.631 3.291 ( 1.749 8.328 0.743) 8.542 3.494 ( 2.862 8.936 5.624) 10.939 3.650 ( 0.417 5.224 1.617) 5.484 3.811 ( 1.599 2.719 -0.960) 3.297 3.859 ( 0.655 -0.245 -3.453) 3.523 3.943 ( 0.688 3.586 -1.192) 3.841 3.982 ( -5.541 -4.033 3.652) 7.766 4.088 ( -0.920 -1.873 0.348) 2.115 4.178 ( -1.370 -2.105 -2.337) 3.431 4.245 ( -3.254 -0.815 0.812) 3.452 4.310 ( 1.336 -3.044 -2.103) 3.933 4.374 ( -3.149 -0.706 -0.162) 3.231 4.488 ( -0.337 -1.174 1.735) 2.122 4.574 ( 1.876 -1.115 1.057) 2.425 4.614 ( 0.793 2.818 -0.173) 2.933 4.707 ( 4.763 6.182 -2.230) 8.116 4.752 ( 0.325 -1.767 -2.431) 3.023 4.879 ( -3.350 -0.770 1.140) 3.622 5.039 ( -0.559 -1.180 1.364) 1.889 5.280 ( -1.386 1.381 -1.194) 2.292 5.480 ( -5.565 -3.431 4.796) 8.108 5.791 ( 1.700 2.400 -4.902) 5.716 5.963 ( -3.104 1.241 3.841) 5.092 6.124 ( 4.857 4.303 -2.953) 7.129 11.798 ( -0.491 -3.490 -2.793) 4.497 11.837 ( -0.430 0.329 -1.970) 2.043 11.926 ( 0.170 0.256 2.104) 2.126 12.134 ( 2.034 4.265 1.253) 4.888 12.989 ( -7.736 -29.824 -2.472) 30.910 13.806 ( 4.141 10.655 11.963) 16.547 14.131 ( -7.296 -2.945 -9.471) 12.313 14.710 ( 0.859 -8.067 -0.784) 8.150 15.130 ( 4.983 -18.124 4.116) 19.242 15.428 ( 3.190 33.249 -2.912) 33.528 16.918 ( 2.871 0.316 0.192) 2.895 17.103 ( -2.492 -3.588 -0.471) 4.394 ======================= Grid point 11 (8/89) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -8.840 15.601 -3.572) 18.284 1.192 ( -5.230 18.251 -1.230) 19.026 1.752 ( 8.869 -10.028 1.995) 13.535 1.895 ( 8.439 -7.489 -2.190) 11.493 1.989 ( -3.581 3.645 2.488) 5.684 2.156 ( -0.290 0.308 2.247) 2.286 2.211 ( -2.703 18.091 1.221) 18.333 2.267 ( -0.508 -0.886 -1.840) 2.104 2.320 ( 0.344 -3.145 0.388) 3.187 2.459 ( 0.868 0.036 0.759) 1.154 2.631 ( -2.853 -3.235 -1.746) 4.654 2.711 ( -1.181 2.341 2.343) 3.517 2.744 ( -2.542 -2.057 -0.698) 3.344 2.799 ( -0.732 0.083 -2.293) 2.408 2.913 ( -0.237 -6.930 -0.637) 6.964 3.031 ( 3.861 3.255 0.582) 5.084 3.147 ( -0.207 -0.316 -0.700) 0.795 3.192 ( -0.316 1.976 1.164) 2.315 3.364 ( 2.184 12.463 1.308) 12.720 3.418 ( 6.332 -5.711 -4.506) 9.645 3.525 ( -2.578 -2.334 5.939) 6.883 3.776 ( 1.762 3.333 -2.482) 4.514 3.892 ( 0.923 -1.424 -0.540) 1.781 3.940 ( 0.258 -1.216 1.858) 2.236 4.029 ( -1.336 -5.671 0.584) 5.856 4.103 ( 1.034 -1.268 -2.088) 2.653 4.180 ( -2.284 -1.511 -3.095) 4.132 4.244 ( -3.187 -3.145 2.830) 5.297 4.359 ( -1.283 -2.584 -1.095) 3.086 4.370 ( 1.380 -1.025 -0.819) 1.905 4.478 ( 0.517 1.546 -0.473) 1.697 4.527 ( -2.276 5.893 2.000) 6.627 4.613 ( 1.015 -0.174 -0.560) 1.172 4.697 ( 6.277 4.442 -2.671) 8.140 4.800 ( 1.660 -1.247 2.329) 3.120 4.902 ( -0.793 -4.928 -1.528) 5.220 4.970 ( -5.956 1.813 5.000) 7.985 5.328 ( 4.073 -3.336 -7.611) 9.255 5.469 ( -6.058 -4.165 6.162) 9.593 5.770 ( 1.099 2.387 -3.239) 4.171 5.898 ( -2.680 2.043 3.671) 4.984 6.110 ( 2.027 2.659 -1.370) 3.614 11.800 ( -0.118 0.943 -1.628) 1.885 11.897 ( 0.174 -4.888 2.030) 5.296 11.919 ( 0.052 0.675 -0.102) 0.685 12.104 ( 2.116 2.035 -0.459) 2.971 13.361 ( -2.725 -23.050 -2.543) 23.350 13.727 ( 8.697 9.139 8.298) 15.100 14.132 ( -9.484 -11.668 -7.390) 16.754 14.798 ( 1.799 1.050 2.523) 3.271 14.935 ( -1.661 26.292 -4.466) 26.720 15.489 ( 7.673 -15.080 1.331) 16.972 16.844 ( -2.072 8.466 2.621) 9.101 17.135 ( -0.893 -2.153 -0.239) 2.343 ======================= Grid point 12 (9/89) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 18.762 0.000) 18.762 0.807 ( 0.000 22.837 0.000) 22.837 1.479 ( 0.000 39.981 0.000) 39.981 1.981 ( -0.000 -7.634 -0.000) 7.634 2.075 ( -0.000 -6.911 -0.000) 6.911 2.111 ( -0.000 -2.823 -0.000) 2.823 2.177 ( -0.000 -1.927 -0.000) 1.927 2.285 ( -0.000 -1.888 -0.000) 1.888 2.450 ( -0.000 -6.755 -0.000) 6.755 2.454 ( 0.000 0.044 0.000) 0.044 2.637 ( 0.000 3.657 0.000) 3.657 2.656 ( -0.000 -0.201 -0.000) 0.201 2.757 ( -0.000 -1.079 -0.000) 1.079 2.776 ( 0.000 1.339 0.000) 1.339 2.981 ( 0.000 4.796 0.000) 4.796 3.018 ( 0.000 6.535 0.000) 6.535 3.035 ( 0.000 0.704 0.000) 0.704 3.144 ( 0.000 5.865 0.000) 5.865 3.189 ( 0.000 4.469 0.000) 4.469 3.503 ( -0.000 -5.441 -0.000) 5.441 3.633 ( -0.000 -4.095 -0.000) 4.095 3.835 ( -0.000 -7.471 -0.000) 7.471 3.903 ( 0.000 1.785 0.000) 1.785 3.974 ( -0.000 -3.556 -0.000) 3.556 4.070 ( -0.000 -1.813 -0.000) 1.813 4.133 ( 0.000 0.626 0.000) 0.626 4.226 ( -0.000 -3.134 -0.000) 3.134 4.246 ( 0.000 1.107 0.000) 1.107 4.374 ( 0.000 3.726 0.000) 3.726 4.374 ( 0.000 0.781 0.000) 0.781 4.446 ( -0.000 -6.863 -0.000) 6.863 4.493 ( -0.000 -0.980 -0.000) 0.980 4.605 ( 0.000 2.178 0.000) 2.178 4.692 ( 0.000 1.817 0.000) 1.817 4.761 ( 0.000 5.071 0.000) 5.071 4.920 ( -0.000 -0.533 -0.000) 0.533 5.015 ( -0.000 -7.210 -0.000) 7.210 5.408 ( -0.000 -1.400 -0.000) 1.400 5.497 ( -0.000 -5.280 -0.000) 5.280 5.733 ( 0.000 2.363 0.000) 2.363 5.839 ( 0.000 2.726 0.000) 2.726 6.092 ( 0.000 0.984 0.000) 0.984 11.789 ( 0.000 0.032 0.000) 0.032 11.867 ( 0.000 3.703 0.000) 3.703 12.004 ( -0.000 -5.750 -0.000) 5.750 12.114 ( -0.000 -0.924 -0.000) 0.924 13.666 ( -0.000 -16.263 -0.000) 16.263 13.680 ( 0.000 7.033 0.000) 7.033 14.334 ( -0.000 -20.401 -0.000) 20.401 14.517 ( 0.000 18.919 0.000) 18.919 14.732 ( 0.000 9.975 0.000) 9.975 15.792 ( -0.000 -12.385 -0.000) 12.385 16.620 ( 0.000 14.105 0.000) 14.105 17.141 ( 0.000 0.772 0.000) 0.772 ======================= Grid point 15 (10/89) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 16.413 0.000 -2.406) 16.589 1.184 ( 19.897 0.000 -3.208) 20.154 1.658 ( -8.141 -0.000 -2.255) 8.448 1.791 ( -9.304 -0.000 2.480) 9.629 2.025 ( -3.272 -0.000 1.292) 3.518 2.067 ( 21.404 0.000 -2.738) 21.578 2.214 ( -3.373 -0.000 8.158) 8.828 2.364 ( 4.427 0.000 -0.798) 4.498 2.371 ( -3.163 -0.000 -6.254) 7.008 2.421 ( 2.021 0.000 -0.672) 2.129 2.559 ( 3.722 0.000 2.811) 4.664 2.654 ( -6.113 -0.000 -0.709) 6.154 2.663 ( 0.959 0.000 -2.756) 2.918 2.743 ( -0.013 -0.000 2.084) 2.084 2.760 ( -1.722 -0.000 -3.104) 3.550 2.852 ( 1.484 0.000 -0.185) 1.496 3.011 ( 6.167 0.000 -0.809) 6.220 3.203 ( 0.878 0.000 1.065) 1.380 3.636 ( -2.620 -0.000 3.562) 4.422 3.685 ( 6.265 0.000 1.636) 6.475 3.711 ( -0.517 -0.000 4.812) 4.840 3.820 ( -3.615 -0.000 -0.272) 3.625 3.850 ( 0.002 0.000 0.114) 0.114 3.880 ( -0.722 -0.000 -3.444) 3.519 4.004 ( -1.283 -0.000 1.739) 2.161 4.094 ( -1.157 -0.000 1.756) 2.103 4.193 ( 0.898 0.000 -1.305) 1.584 4.226 ( -0.231 -0.000 -3.524) 3.532 4.263 ( 0.767 0.000 0.932) 1.207 4.327 ( -2.680 -0.000 2.098) 3.404 4.346 ( -7.977 -0.000 -2.963) 8.509 4.548 ( 0.660 0.000 -0.681) 0.948 4.659 ( 2.152 0.000 1.405) 2.570 4.765 ( 0.737 0.000 -1.711) 1.863 4.892 ( -3.694 -0.000 1.352) 3.934 4.916 ( 0.838 0.000 -3.424) 3.525 4.930 ( 3.605 0.000 -0.721) 3.677 5.340 ( -2.633 -0.000 3.989) 4.780 5.404 ( -8.176 -0.000 2.794) 8.640 5.832 ( 2.031 0.000 -5.138) 5.525 5.988 ( -2.941 -0.000 3.765) 4.778 6.262 ( 3.710 0.000 -3.628) 5.189 11.728 ( -1.254 -0.000 -3.445) 3.666 11.910 ( 2.978 0.000 0.397) 3.005 11.935 ( -3.895 -0.000 -0.808) 3.978 12.217 ( -0.579 -0.000 -1.380) 1.496 12.217 ( 1.513 0.000 1.701) 2.277 13.983 ( -3.499 -0.000 1.009) 3.641 14.302 ( -0.353 -0.000 -1.067) 1.123 14.517 ( -0.553 -0.000 -0.974) 1.120 14.558 ( 4.810 0.000 3.981) 6.243 16.447 ( -1.017 -0.000 -5.751) 5.841 16.536 ( 6.021 0.000 2.499) 6.519 17.081 ( -0.842 -0.000 0.670) 1.076 ======================= Grid point 16 (11/89) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 10.471 -1.664 0.578) 10.618 1.433 ( 4.372 -3.859 -0.367) 5.843 1.551 ( 2.491 -1.490 -7.488) 8.031 1.655 ( -5.055 5.228 2.134) 7.579 1.988 ( -1.099 0.564 2.820) 3.078 2.087 ( -8.157 -4.548 1.533) 9.464 2.281 ( 1.974 4.338 -1.678) 5.053 2.308 ( 0.916 2.145 -1.424) 2.732 2.427 ( 2.784 -0.744 -0.268) 2.895 2.475 ( 5.158 1.093 2.084) 5.669 2.570 ( -2.394 -3.273 -1.280) 4.252 2.680 ( 0.346 -3.784 1.553) 4.105 2.751 ( 2.567 -4.344 0.325) 5.056 2.769 ( 0.953 -2.129 0.065) 2.334 2.791 ( 1.814 -1.818 -1.594) 3.023 2.904 ( 1.260 -5.406 -1.565) 5.768 3.093 ( 5.234 -1.927 -0.854) 5.642 3.175 ( -1.721 1.262 2.073) 2.975 3.493 ( -0.215 13.702 0.441) 13.711 3.620 ( -1.182 4.515 4.186) 6.269 3.744 ( 1.618 1.528 0.193) 2.234 3.816 ( -2.180 0.271 0.078) 2.198 3.858 ( 0.474 -2.283 -0.192) 2.339 3.884 ( 0.137 -0.787 -0.852) 1.168 4.030 ( -0.429 -3.778 -0.101) 3.804 4.038 ( 0.515 4.618 2.219) 5.150 4.132 ( -5.074 0.697 -4.922) 7.104 4.208 ( -0.580 0.374 0.037) 0.691 4.249 ( -2.206 -1.723 -0.807) 2.913 4.304 ( -2.763 -1.026 1.138) 3.160 4.446 ( 4.448 -8.638 0.963) 9.764 4.561 ( -0.279 -0.678 0.091) 0.738 4.672 ( 1.029 1.899 -0.927) 2.351 4.713 ( -4.164 1.837 0.387) 4.568 4.829 ( -1.326 1.106 0.408) 1.774 4.896 ( 3.450 3.387 -3.012) 5.697 5.039 ( 4.870 -0.065 0.713) 4.922 5.264 ( -4.912 0.858 -0.574) 5.019 5.353 ( -4.613 -3.034 4.021) 6.830 5.845 ( 1.718 1.402 -4.133) 4.691 5.946 ( -2.316 0.840 3.441) 4.233 6.255 ( 2.481 4.750 -1.782) 5.647 11.730 ( -0.569 -2.266 -1.738) 2.912 11.863 ( -1.065 2.439 -1.593) 3.102 11.941 ( 1.266 0.338 1.121) 1.724 12.212 ( 1.014 2.436 0.625) 2.712 12.443 ( -2.374 -24.654 -0.400) 24.771 13.934 ( -0.666 1.827 3.907) 4.365 14.151 ( -1.329 11.279 -3.585) 11.910 14.575 ( 0.543 -7.639 -1.164) 7.746 14.827 ( 1.430 -19.563 2.427) 19.765 16.037 ( 2.319 31.806 -1.115) 31.910 16.846 ( 1.939 -14.056 -0.086) 14.189 17.055 ( -1.340 1.796 0.286) 2.259 ======================= Grid point 17 (12/89) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 14.649 0.000) 14.649 1.435 ( 0.000 13.717 0.000) 13.717 1.690 ( -0.000 -7.111 -0.000) 7.111 1.716 ( -0.000 -14.914 -0.000) 14.914 1.996 ( -0.000 -0.408 -0.000) 0.408 2.113 ( -0.000 -4.926 -0.000) 4.926 2.238 ( -0.000 -0.746 -0.000) 0.746 2.275 ( 0.000 2.109 0.000) 2.109 2.448 ( 0.000 2.952 0.000) 2.952 2.514 ( -0.000 -5.563 -0.000) 5.563 2.564 ( 0.000 9.093 0.000) 9.093 2.706 ( -0.000 -0.915 -0.000) 0.915 2.762 ( 0.000 2.707 0.000) 2.707 2.790 ( 0.000 0.908 0.000) 0.908 2.826 ( -0.000 -4.235 -0.000) 4.235 3.050 ( -0.000 -8.588 -0.000) 8.588 3.123 ( 0.000 3.359 0.000) 3.359 3.217 ( -0.000 -0.478 -0.000) 0.478 3.346 ( -0.000 -3.819 -0.000) 3.819 3.519 ( 0.000 6.618 0.000) 6.618 3.627 ( 0.000 12.068 0.000) 12.068 3.846 ( -0.000 -4.593 -0.000) 4.593 3.879 ( 0.000 4.448 0.000) 4.448 3.890 ( -0.000 -1.795 -0.000) 1.795 3.986 ( -0.000 -0.054 -0.000) 0.054 4.097 ( -0.000 -3.477 -0.000) 3.477 4.101 ( -0.000 -0.973 -0.000) 0.973 4.206 ( 0.000 0.516 0.000) 0.516 4.263 ( -0.000 -4.974 -0.000) 4.974 4.341 ( -0.000 -3.516 -0.000) 3.516 4.522 ( 0.000 2.874 0.000) 2.874 4.619 ( 0.000 2.645 0.000) 2.645 4.625 ( 0.000 1.284 0.000) 1.284 4.688 ( -0.000 -8.269 -0.000) 8.269 4.803 ( 0.000 2.463 0.000) 2.463 4.893 ( -0.000 -0.083 -0.000) 0.083 4.984 ( 0.000 6.953 0.000) 6.953 5.296 ( -0.000 -5.896 -0.000) 5.896 5.356 ( -0.000 -1.675 -0.000) 1.675 5.824 ( 0.000 2.570 0.000) 2.570 5.910 ( 0.000 1.487 0.000) 1.487 6.188 ( 0.000 4.850 0.000) 4.850 11.790 ( -0.000 -4.881 -0.000) 4.881 11.827 ( 0.000 1.031 0.000) 1.031 11.939 ( 0.000 0.688 0.000) 0.688 12.168 ( 0.000 3.528 0.000) 3.528 12.889 ( -0.000 -29.728 -0.000) 29.728 13.940 ( -0.000 -2.651 -0.000) 2.651 13.949 ( 0.000 10.432 0.000) 10.432 14.726 ( -0.000 -8.569 -0.000) 8.569 15.159 ( -0.000 -16.103 -0.000) 16.103 15.521 ( 0.000 29.436 0.000) 29.436 16.971 ( 0.000 6.456 0.000) 6.456 17.045 ( -0.000 -7.938 -0.000) 7.938 ======================= Grid point 23 (13/89) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 0.000 -0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.565 ( -0.000 -0.000 -0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 1.990 ( -0.000 -0.000 -0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 -0.000) 0.000 2.487 ( 0.000 0.000 -0.000) 0.000 2.507 ( -0.000 -0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.635 ( -0.000 -0.000 -0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 -0.000) 0.000 2.827 ( 0.000 0.000 -0.000) 0.000 2.863 ( -0.000 -0.000 0.000) 0.000 3.135 ( 0.000 0.000 -0.000) 0.000 3.149 ( 0.000 0.000 -0.000) 0.000 3.626 ( 0.000 0.000 -0.000) 0.000 3.682 ( -0.000 -0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.989 ( -0.000 -0.000 0.000) 0.000 4.074 ( 0.000 0.000 -0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 -0.000) 0.000 4.279 ( 0.000 0.000 -0.000) 0.000 4.287 ( -0.000 -0.000 0.000) 0.000 4.344 ( 0.000 0.000 -0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 -0.000) 0.000 4.839 ( 0.000 0.000 -0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 -0.000) 0.000 5.182 ( -0.000 -0.000 0.000) 0.000 5.299 ( 0.000 0.000 -0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 -0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 11.710 ( 0.000 0.000 -0.000) 0.000 11.881 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 -0.000) 0.000 12.238 ( 0.000 0.000 -0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 -0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 16.432 ( 0.000 0.000 -0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 17.068 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 39 (14/89) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -3.467 -0.000 21.879) 22.152 0.446 ( 16.138 0.000 22.458) 27.655 0.755 ( -7.470 -0.000 37.802) 38.533 2.048 ( 0.118 0.000 -0.001) 0.118 2.124 ( 0.972 0.000 -5.147) 5.238 2.284 ( -2.569 -0.000 -6.762) 7.233 2.313 ( 3.182 0.000 -0.111) 3.184 2.411 ( -2.830 -0.000 2.129) 3.541 2.482 ( 0.203 0.000 4.700) 4.704 2.581 ( -10.055 -0.000 -5.066) 11.259 2.592 ( 3.884 0.000 1.127) 4.044 2.662 ( -0.887 -0.000 3.164) 3.286 2.770 ( -3.675 -0.000 -4.226) 5.601 2.818 ( 1.296 0.000 0.195) 1.310 2.923 ( -1.575 -0.000 4.964) 5.207 2.952 ( 5.736 0.000 8.333) 10.116 2.965 ( -3.618 -0.000 1.004) 3.755 3.134 ( 1.078 0.000 6.447) 6.537 3.396 ( -0.142 -0.000 1.605) 1.611 3.504 ( 6.873 0.000 -10.233) 12.327 3.773 ( -0.116 -0.000 -2.864) 2.866 3.853 ( 2.598 0.000 -3.035) 3.995 3.923 ( -3.432 -0.000 -2.272) 4.116 3.975 ( -0.011 -0.000 -4.455) 4.455 4.101 ( 0.769 0.000 0.913) 1.194 4.146 ( -1.482 -0.000 4.031) 4.295 4.171 ( -0.211 -0.000 2.190) 2.200 4.278 ( 1.042 0.000 0.468) 1.143 4.324 ( -11.886 -0.000 0.159) 11.888 4.379 ( 0.743 0.000 -8.557) 8.589 4.459 ( 27.045 0.000 2.260) 27.139 4.496 ( 1.315 0.000 -2.063) 2.446 4.587 ( -0.017 -0.000 2.040) 2.040 4.599 ( 2.941 0.000 -3.039) 4.229 4.760 ( -0.215 -0.000 -0.317) 0.384 4.893 ( -11.356 -0.000 11.323) 16.037 4.906 ( -1.563 -0.000 0.808) 1.760 5.343 ( 1.870 0.000 -6.332) 6.603 5.575 ( -0.939 -0.000 -1.452) 1.729 5.771 ( -6.777 -0.000 3.792) 7.766 5.818 ( -2.248 -0.000 3.756) 4.377 6.077 ( 1.661 0.000 -1.056) 1.968 11.795 ( -2.844 -0.000 0.461) 2.881 11.824 ( 0.900 0.000 1.665) 1.893 12.136 ( -3.541 -0.000 -1.098) 3.708 12.188 ( -1.354 -0.000 -3.686) 3.927 13.343 ( 4.409 0.000 2.711) 5.175 14.216 ( -2.802 -0.000 -2.369) 3.669 14.297 ( 1.793 0.000 9.106) 9.281 14.384 ( 49.552 0.000 -3.078) 49.648 14.465 ( -0.252 -0.000 -7.481) 7.485 15.569 ( -57.321 -0.000 -2.433) 57.373 16.320 ( 2.223 0.000 4.246) 4.792 17.068 ( 0.692 0.000 -3.730) 3.793 ======================= Grid point 40 (15/89) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 10.201 -13.668 11.965) 20.833 0.768 ( 12.156 -15.394 15.985) 25.304 1.139 ( 18.692 -23.561 22.278) 37.427 1.986 ( -5.159 4.178 -0.845) 6.692 2.100 ( -3.399 3.126 -3.155) 5.593 2.210 ( -8.446 2.021 -0.874) 8.728 2.258 ( 1.212 2.531 -0.845) 2.931 2.378 ( -4.020 0.399 2.996) 5.030 2.440 ( 0.133 4.009 3.557) 5.361 2.507 ( -0.914 0.100 1.121) 1.450 2.556 ( -4.365 3.138 0.442) 5.394 2.713 ( -1.543 -1.150 4.900) 5.264 2.736 ( 1.930 -8.117 -2.101) 8.604 2.839 ( 0.693 0.289 1.336) 1.532 2.889 ( -3.292 0.756 0.353) 3.396 2.926 ( 0.848 -1.063 3.345) 3.611 2.993 ( -1.287 -4.572 5.903) 7.577 3.106 ( -0.938 -5.655 6.477) 8.649 3.350 ( 6.034 8.297 2.540) 10.568 3.530 ( 3.448 3.179 -7.788) 9.091 3.702 ( -0.916 6.950 -0.890) 7.067 3.844 ( -0.156 -2.039 -1.539) 2.559 3.962 ( -2.911 3.922 2.180) 5.348 4.006 ( -0.775 -6.458 -2.538) 6.982 4.075 ( -1.132 1.305 0.499) 1.799 4.091 ( 1.601 0.294 -0.153) 1.635 4.129 ( -0.605 2.790 -0.725) 2.945 4.273 ( -0.166 -4.335 2.634) 5.075 4.333 ( -1.515 -4.104 1.416) 4.598 4.435 ( 0.215 -5.121 -6.996) 8.673 4.454 ( 3.779 6.140 -2.453) 7.615 4.524 ( 0.409 1.370 -1.233) 1.888 4.646 ( -0.430 -2.108 0.077) 2.152 4.670 ( -0.749 8.988 5.664) 10.650 4.711 ( -5.497 -0.366 4.773) 7.289 4.876 ( 1.124 -1.213 -2.523) 3.017 5.070 ( 6.404 -2.283 -7.374) 10.029 5.369 ( 3.963 0.575 -8.386) 9.293 5.565 ( 2.333 2.454 -1.271) 3.616 5.726 ( 1.540 0.737 1.538) 2.298 5.815 ( -2.605 -2.663 3.571) 5.161 6.086 ( 0.418 0.403 -0.509) 0.772 11.736 ( -2.152 -0.728 -1.153) 2.547 11.835 ( 1.619 0.647 2.237) 2.836 12.018 ( -4.495 2.765 -1.813) 5.580 12.262 ( -1.476 -2.063 1.811) 3.117 13.085 ( -18.466 -6.235 1.797) 19.573 14.138 ( -1.274 10.568 -4.058) 11.391 14.291 ( -6.619 3.191 4.019) 8.375 14.524 ( -0.729 -16.318 5.029) 17.091 14.810 ( 16.154 8.591 -1.408) 18.350 15.481 ( -1.616 -12.529 -18.455) 22.365 16.463 ( 5.706 -9.744 3.020) 11.689 17.078 ( 0.735 -0.608 -3.325) 3.459 ======================= Grid point 41 (16/89) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 11.245 -14.330 5.592) 19.055 1.189 ( 13.406 -13.928 9.821) 21.683 1.663 ( -0.574 -1.062 -1.526) 1.946 1.855 ( 1.775 -6.260 7.671) 10.059 1.916 ( -6.763 4.664 3.495) 8.927 2.099 ( -5.648 -1.129 -0.626) 5.794 2.289 ( 5.433 0.388 0.232) 5.452 2.294 ( -0.678 3.748 5.012) 6.294 2.425 ( 2.501 0.055 5.632) 6.162 2.467 ( -2.568 -0.346 1.321) 2.909 2.599 ( 0.080 -6.595 -2.804) 7.166 2.721 ( 0.125 -0.730 3.769) 3.841 2.817 ( -0.207 1.629 -0.730) 1.797 2.861 ( -0.937 -4.924 -1.382) 5.200 2.885 ( -0.640 -1.956 4.426) 4.882 2.992 ( -1.664 -4.358 -1.800) 5.000 3.049 ( -2.044 -3.919 -1.071) 4.548 3.195 ( 2.658 -3.134 1.686) 4.442 3.286 ( 4.010 7.025 6.604) 10.442 3.504 ( -0.936 4.066 -2.537) 4.883 3.568 ( 1.438 7.433 -2.858) 8.092 3.816 ( -4.078 4.157 5.495) 8.006 3.876 ( -1.181 -1.019 -0.472) 1.629 3.976 ( -1.719 4.291 1.698) 4.925 4.067 ( 1.542 0.512 -2.948) 3.366 4.100 ( -1.115 -1.011 -2.742) 3.128 4.183 ( 2.968 -2.989 -1.984) 4.656 4.340 ( -2.693 0.945 0.605) 2.917 4.350 ( -0.808 1.721 3.157) 3.685 4.381 ( -1.942 -4.038 0.963) 4.583 4.509 ( 1.842 1.208 -1.172) 2.496 4.539 ( 2.439 0.378 -0.702) 2.566 4.583 ( 2.402 -1.147 -2.726) 3.810 4.627 ( -4.433 -0.111 2.108) 4.910 4.674 ( -0.165 -0.110 1.547) 1.560 4.895 ( 0.060 -0.329 -4.166) 4.180 5.042 ( -1.851 3.005 1.387) 3.792 5.414 ( 3.283 0.398 -6.121) 6.957 5.498 ( -1.255 5.444 1.100) 5.694 5.765 ( 2.373 -0.267 -1.356) 2.747 5.848 ( 1.270 -2.746 -0.093) 3.027 6.079 ( -0.931 -0.039 -0.199) 0.953 11.778 ( -0.696 -5.383 -0.618) 5.463 11.833 ( -0.686 0.542 0.708) 1.125 11.956 ( -0.607 0.100 0.349) 0.707 12.199 ( -1.859 5.364 5.134) 7.654 13.130 ( -7.711 -15.794 -7.062) 18.942 13.844 ( 0.965 20.285 -2.587) 20.472 14.256 ( -8.371 -6.847 -1.371) 10.901 14.724 ( 3.609 -4.225 1.794) 5.839 14.936 ( 12.315 -1.363 5.110) 13.403 15.423 ( -10.912 3.018 -6.377) 12.994 16.710 ( 6.820 -7.194 -2.558) 10.238 17.112 ( 0.872 -2.095 -2.366) 3.279 ======================= Grid point 42 (17/89) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -5.863 4.521 3.690) 8.273 1.442 ( -6.050 4.064 6.351) 9.667 1.505 ( 2.817 -4.794 -4.340) 7.054 1.674 ( 4.808 -1.059 2.507) 5.524 2.099 ( 0.802 -2.187 -1.599) 2.826 2.142 ( 3.758 -1.779 8.287) 9.272 2.278 ( -1.199 -4.805 2.182) 5.411 2.342 ( -0.212 -0.756 0.622) 1.002 2.440 ( 4.388 2.209 4.962) 6.983 2.470 ( -3.088 4.294 7.195) 8.930 2.695 ( -0.000 -1.104 -0.158) 1.115 2.757 ( 1.209 -0.900 1.787) 2.338 2.805 ( 1.386 1.418 0.109) 1.985 2.849 ( -3.648 -2.237 3.623) 5.607 2.891 ( -2.608 -3.871 -1.187) 4.816 2.987 ( 0.215 3.737 3.043) 4.824 3.111 ( -0.784 -5.496 -3.293) 6.454 3.186 ( 1.785 2.883 -0.441) 3.419 3.284 ( -0.225 -2.183 2.763) 3.529 3.345 ( -0.024 10.273 3.019) 10.708 3.583 ( 5.502 -0.170 -3.242) 6.388 3.767 ( -2.635 -1.130 1.401) 3.191 3.846 ( -1.722 -0.856 -0.863) 2.108 3.911 ( -0.774 1.103 0.872) 1.605 4.058 ( 0.484 2.033 -3.162) 3.790 4.102 ( 0.384 0.185 -0.060) 0.430 4.196 ( -1.874 1.533 -0.839) 2.563 4.309 ( 1.512 -2.163 0.976) 2.814 4.352 ( -0.759 0.547 1.829) 2.054 4.395 ( -2.663 -1.799 2.063) 3.819 4.505 ( -2.272 0.384 -2.108) 3.123 4.553 ( 4.151 2.739 1.699) 5.255 4.568 ( -1.246 -1.531 0.408) 2.015 4.641 ( -1.572 0.449 1.978) 2.566 4.724 ( 2.451 -4.236 -6.637) 8.246 4.881 ( 0.339 1.181 -3.843) 4.035 5.026 ( 1.391 -1.029 1.544) 2.319 5.360 ( -4.762 2.985 6.136) 8.321 5.468 ( 4.204 1.142 -7.679) 8.829 5.789 ( -1.763 -2.582 1.898) 3.658 5.918 ( 4.224 -0.937 -3.487) 5.557 6.060 ( -2.655 -0.220 0.218) 2.673 11.791 ( -2.332 -0.612 -0.823) 2.548 11.895 ( 1.462 -4.548 1.217) 4.929 11.976 ( 1.675 -0.895 4.965) 5.316 12.090 ( -1.420 3.592 2.522) 4.613 13.332 ( -2.827 -13.954 -7.527) 16.105 13.541 ( 6.718 19.967 -4.658) 21.575 14.265 ( -6.546 -5.651 -3.108) 9.190 14.751 ( 5.744 8.071 -2.576) 10.236 15.034 ( -9.967 -3.025 7.163) 12.641 15.323 ( 4.752 -2.080 -0.343) 5.199 16.843 ( 2.527 -2.089 -3.052) 4.479 17.147 ( 0.291 -0.366 -1.229) 1.315 ======================= Grid point 43 (18/89) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -14.996 13.332 2.605) 20.234 1.076 ( -14.656 14.896 7.739) 22.284 1.771 ( 8.552 -9.656 -2.479) 13.135 1.887 ( 8.588 -1.958 0.971) 8.862 1.966 ( -14.454 19.273 12.940) 27.346 2.140 ( 4.495 2.218 -1.215) 5.158 2.250 ( -2.411 -3.372 4.975) 6.476 2.369 ( -0.383 -5.582 5.619) 7.929 2.397 ( 1.447 -2.078 6.175) 6.674 2.481 ( 6.065 0.804 2.877) 6.761 2.666 ( -1.602 2.908 -5.009) 6.009 2.712 ( -3.374 -0.329 2.602) 4.273 2.767 ( -0.412 3.016 6.231) 6.934 2.862 ( 1.548 0.240 2.351) 2.825 2.918 ( -0.504 3.851 -0.573) 3.926 3.013 ( -2.630 -4.808 -3.255) 6.374 3.096 ( -0.751 4.638 -2.069) 5.134 3.136 ( 0.065 7.936 2.404) 8.292 3.238 ( -0.266 -2.075 3.165) 3.794 3.409 ( 3.426 -5.281 -1.112) 6.392 3.622 ( 0.738 -3.021 0.546) 3.158 3.785 ( 0.978 -2.688 -0.142) 2.864 3.866 ( 2.051 -0.138 -2.762) 3.443 3.951 ( 0.799 -1.891 0.945) 2.259 4.034 ( 2.249 0.174 -7.686) 8.010 4.105 ( 1.012 1.128 2.451) 2.882 4.158 ( -2.437 -0.437 -0.261) 2.489 4.306 ( -2.144 0.849 -0.488) 2.357 4.364 ( 2.021 0.438 2.313) 3.102 4.391 ( -0.359 0.867 2.464) 2.637 4.468 ( -1.330 -0.486 -1.614) 2.147 4.528 ( -0.684 2.858 -0.717) 3.025 4.599 ( -3.317 -3.205 -0.654) 4.658 4.616 ( 0.626 -0.420 1.373) 1.566 4.799 ( 1.289 -1.388 -3.498) 3.978 4.907 ( 4.113 -0.871 -6.343) 7.610 5.044 ( -0.616 0.690 3.882) 3.990 5.298 ( -2.687 -1.855 2.489) 4.106 5.507 ( 2.665 -0.431 -3.604) 4.502 5.809 ( -2.990 -3.468 2.074) 5.027 5.978 ( 1.804 -0.777 -2.010) 2.810 6.016 ( -2.964 0.437 -0.665) 3.069 11.787 ( -1.044 -1.465 -0.233) 1.814 11.876 ( -1.951 3.936 -0.197) 4.398 12.072 ( 4.912 -0.656 4.013) 6.377 12.096 ( -0.229 -7.545 7.320) 10.515 13.202 ( 8.127 22.183 -12.281) 26.626 13.660 ( 5.639 -13.579 2.468) 14.909 14.274 ( -2.990 -2.854 -3.140) 5.191 14.629 ( -2.065 7.719 -6.205) 10.117 14.867 ( -7.845 7.180 6.570) 12.500 15.524 ( 5.963 -10.515 -1.757) 12.215 16.847 ( -2.111 2.593 -1.431) 3.637 17.119 ( -0.845 2.849 -2.834) 4.107 ======================= Grid point 44 (19/89) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -7.712 12.751 10.788) 18.397 0.658 ( -13.101 12.502 14.677) 23.309 1.259 ( -20.588 26.965 24.037) 41.578 1.995 ( 3.987 -3.778 -1.798) 5.779 2.070 ( 5.695 -3.826 -3.221) 7.579 2.185 ( 7.435 -0.744 -0.558) 7.493 2.297 ( -3.053 -3.690 -1.825) 5.125 2.434 ( -2.484 -2.262 5.621) 6.549 2.455 ( 3.298 -1.063 5.600) 6.586 2.571 ( 5.458 2.045 0.978) 5.910 2.622 ( 0.012 -3.104 1.820) 3.598 2.703 ( -2.269 -3.343 -0.208) 4.046 2.747 ( -1.495 -1.424 7.923) 8.188 2.825 ( -2.967 0.652 0.423) 3.067 2.856 ( 1.263 2.494 1.074) 2.995 2.941 ( 0.601 3.070 3.161) 4.447 3.005 ( 0.516 6.826 4.485) 8.184 3.062 ( 2.011 4.066 3.737) 5.878 3.323 ( -2.137 -8.111 -0.517) 8.404 3.480 ( -0.258 -1.298 -4.641) 4.826 3.698 ( 0.591 -4.995 -1.729) 5.319 3.845 ( 0.410 -0.114 -2.125) 2.168 3.911 ( 7.319 1.076 -1.500) 7.548 3.979 ( 1.317 -1.292 -0.196) 1.855 4.063 ( 2.501 1.556 -2.402) 3.801 4.081 ( -0.363 0.659 0.080) 0.757 4.168 ( -1.653 -3.213 0.212) 3.619 4.271 ( -0.571 1.206 -0.148) 1.343 4.344 ( 4.422 6.420 4.697) 9.101 4.377 ( 2.258 1.427 -4.175) 4.956 4.455 ( -5.742 -2.301 -0.552) 6.211 4.521 ( 0.383 -3.512 -0.875) 3.639 4.569 ( -0.849 2.607 -0.076) 2.743 4.665 ( -0.574 -2.598 -1.936) 3.291 4.789 ( -0.741 2.942 -4.432) 5.371 4.941 ( 1.395 2.925 -3.104) 4.488 5.019 ( -5.514 -2.136 4.945) 7.709 5.319 ( 0.100 -1.521 -2.924) 3.297 5.550 ( 0.761 -2.161 -0.760) 2.414 5.820 ( -4.319 -3.068 0.963) 5.384 5.911 ( -7.427 1.380 1.013) 7.622 6.043 ( 2.881 -0.553 -2.290) 3.721 11.797 ( -1.666 -0.218 0.061) 1.681 11.811 ( -0.877 -0.910 1.111) 1.683 12.111 ( -1.649 -2.783 0.287) 3.248 12.237 ( 3.839 -1.841 7.981) 9.045 13.042 ( 23.220 15.175 -2.351) 27.838 13.965 ( 7.627 -12.765 5.760) 15.946 14.266 ( -0.705 1.456 -1.228) 2.031 14.502 ( -1.985 3.739 -7.014) 8.193 14.593 ( -1.965 18.441 1.816) 18.634 15.783 ( -6.715 -19.203 -8.474) 22.037 16.638 ( -11.124 14.929 -4.383) 19.127 17.069 ( -0.202 1.276 -4.260) 4.451 ======================= Grid point 46 (20/89) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 18.027 0.000 11.283) 21.267 0.710 ( 14.735 0.000 14.520) 20.687 1.387 ( 34.904 0.000 18.384) 39.450 1.936 ( -7.959 -0.000 1.948) 8.194 2.086 ( -6.691 -0.000 -4.066) 7.829 2.129 ( -7.018 -0.000 0.006) 7.018 2.249 ( 0.572 0.000 -2.704) 2.764 2.332 ( -1.891 -0.000 0.925) 2.106 2.448 ( -1.843 -0.000 6.022) 6.298 2.525 ( -0.071 -0.000 -1.681) 1.682 2.561 ( -8.123 -0.000 5.729) 9.940 2.653 ( -0.106 -0.000 1.960) 1.963 2.678 ( 2.564 0.000 1.421) 2.931 2.835 ( 0.766 0.000 1.233) 1.451 2.858 ( -4.125 -0.000 2.653) 4.904 2.884 ( -0.919 -0.000 0.147) 0.931 2.899 ( -6.140 -0.000 6.988) 9.302 3.091 ( 5.614 0.000 2.300) 6.067 3.537 ( 9.004 0.000 3.188) 9.552 3.605 ( 2.286 0.000 -11.549) 11.773 3.773 ( -0.069 -0.000 0.519) 0.523 3.856 ( -0.458 -0.000 -0.931) 1.037 3.875 ( -1.257 -0.000 -0.892) 1.542 3.992 ( 1.182 0.000 -4.364) 4.521 4.035 ( -6.377 -0.000 7.856) 10.119 4.119 ( -2.265 -0.000 -1.054) 2.498 4.155 ( 1.865 0.000 3.458) 3.929 4.188 ( 0.527 0.000 2.719) 2.769 4.291 ( 0.005 0.000 1.790) 1.790 4.373 ( -0.814 -0.000 -7.052) 7.098 4.531 ( -6.428 -0.000 -1.866) 6.694 4.534 ( 0.602 0.000 -0.415) 0.732 4.626 ( 3.413 0.000 -1.084) 3.581 4.676 ( 2.210 0.000 4.872) 5.350 4.802 ( 1.877 0.000 -0.393) 1.918 4.815 ( -4.578 -0.000 1.399) 4.787 5.108 ( -1.996 -0.000 -8.698) 8.924 5.408 ( 2.477 0.000 -5.852) 6.354 5.620 ( -0.900 -0.000 2.767) 2.910 5.757 ( -2.298 -0.000 2.108) 3.118 5.823 ( 10.549 0.000 -12.999) 16.741 6.087 ( -0.815 -0.000 0.536) 0.975 11.711 ( -2.618 -0.000 -1.639) 3.088 11.864 ( 1.861 0.000 1.846) 2.622 11.995 ( -6.219 -0.000 -3.741) 7.257 12.169 ( 0.218 0.000 -3.326) 3.333 12.732 ( -16.194 -0.000 33.384) 37.104 14.085 ( -5.757 -0.000 -3.827) 6.913 14.352 ( 1.280 0.000 8.160) 8.259 14.446 ( -0.947 -0.000 -7.393) 7.453 14.686 ( -7.173 -0.000 14.772) 16.422 15.783 ( 25.535 0.000 -39.214) 46.795 16.456 ( 7.264 0.000 6.270) 9.596 17.084 ( 0.465 0.000 -2.451) 2.494 ======================= Grid point 47 (21/89) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 16.461 -7.830 5.008) 18.904 1.094 ( 14.902 -16.090 7.183) 23.077 1.734 ( -5.997 9.070 3.931) 11.563 1.867 ( 21.563 -6.124 10.208) 24.631 1.948 ( -9.108 5.894 3.620) 11.437 2.037 ( -1.371 0.513 -3.413) 3.714 2.295 ( -1.794 0.797 2.721) 3.355 2.328 ( 1.966 -2.657 0.498) 3.343 2.429 ( -3.963 2.667 2.345) 5.321 2.469 ( 0.974 -3.186 4.860) 5.892 2.518 ( 2.814 -0.562 -1.529) 3.251 2.688 ( -0.529 -2.567 2.142) 3.385 2.759 ( 0.380 -5.058 0.756) 5.129 2.821 ( -3.875 -0.707 4.672) 6.111 2.842 ( -2.861 -4.619 1.601) 5.665 2.885 ( 0.206 -0.961 0.433) 1.074 2.924 ( 0.539 -4.612 -0.849) 4.720 3.185 ( 4.415 -2.556 0.221) 5.107 3.548 ( 6.164 10.925 5.149) 13.559 3.586 ( 0.849 4.143 -8.260) 9.280 3.710 ( 2.833 6.096 -3.119) 7.410 3.833 ( -2.544 0.367 2.708) 3.733 3.857 ( -2.935 3.780 3.432) 5.889 3.962 ( -3.794 -4.149 0.643) 5.659 4.041 ( -0.317 -1.257 -0.641) 1.446 4.090 ( -1.974 0.041 -3.138) 3.707 4.155 ( -0.689 0.127 0.393) 0.803 4.228 ( -0.457 -4.082 4.304) 5.949 4.310 ( -2.133 -0.609 -0.282) 2.236 4.397 ( -1.880 0.330 2.838) 3.420 4.446 ( -2.856 -5.749 -6.624) 9.224 4.539 ( 0.893 -0.308 0.021) 0.945 4.657 ( 3.397 2.287 -2.679) 4.894 4.678 ( -1.318 5.041 1.761) 5.500 4.722 ( 4.169 2.649 1.770) 5.247 4.872 ( 1.306 -2.344 -3.203) 4.178 5.016 ( -7.203 1.241 -1.333) 7.430 5.431 ( 0.041 0.040 -1.464) 1.466 5.551 ( -3.477 2.869 2.286) 5.055 5.739 ( -2.196 -0.586 0.580) 2.345 5.932 ( 9.271 2.036 -11.324) 14.776 6.068 ( -1.534 0.339 0.830) 1.777 11.703 ( -0.261 -2.536 -1.007) 2.741 11.845 ( -1.370 2.710 -1.155) 3.249 11.944 ( -0.381 -1.169 0.527) 1.337 12.222 ( -0.966 -1.178 -1.038) 1.844 12.730 ( -7.552 -15.978 16.440) 24.137 14.023 ( -6.564 -0.056 -8.004) 10.351 14.188 ( -0.781 14.198 6.691) 15.715 14.508 ( 0.037 -11.899 1.325) 11.973 14.883 ( -1.018 -18.919 5.189) 19.644 15.722 ( 10.083 27.229 -19.344) 34.889 16.687 ( 8.039 -10.130 -1.447) 13.013 17.089 ( -0.102 -0.533 -1.236) 1.349 ======================= Grid point 48 (22/89) ======================= q-point: ( 0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.382 0.806 4.289) 6.929 1.454 ( -2.298 1.955 -2.122) 3.689 1.502 ( 7.495 -3.122 5.480) 9.796 1.729 ( -1.984 3.602 5.246) 6.665 2.044 ( -0.009 -2.650 0.867) 2.788 2.166 ( 5.361 -4.999 2.432) 7.723 2.237 ( -0.503 2.704 4.178) 5.002 2.328 ( -0.594 0.893 3.946) 4.089 2.439 ( 0.112 -2.759 0.723) 2.854 2.536 ( 3.699 0.290 6.562) 7.538 2.629 ( -1.491 -8.621 -3.985) 9.614 2.714 ( -1.434 -0.596 -0.449) 1.617 2.772 ( -1.502 1.389 3.642) 4.177 2.831 ( -0.185 -2.647 0.752) 2.758 2.867 ( 1.150 1.927 4.210) 4.771 2.956 ( 0.236 -5.794 0.799) 5.853 3.033 ( 3.794 -5.635 -3.324) 7.563 3.242 ( -0.752 -1.091 1.880) 2.300 3.346 ( 0.451 12.000 5.801) 13.337 3.546 ( 5.376 8.048 -1.313) 9.767 3.705 ( 5.827 3.963 -1.757) 7.263 3.718 ( -3.410 0.078 -0.125) 3.414 3.824 ( -2.242 1.360 -0.286) 2.638 3.931 ( -1.564 1.381 0.179) 2.094 4.055 ( -3.356 0.041 -1.479) 3.668 4.068 ( -1.282 -2.040 0.201) 2.417 4.131 ( -5.139 -2.697 -0.805) 5.859 4.289 ( 1.515 -2.733 0.355) 3.145 4.303 ( -1.342 -2.402 4.049) 4.895 4.363 ( -2.746 0.030 -1.073) 2.949 4.500 ( -0.646 0.572 -1.175) 1.458 4.575 ( 0.583 2.220 -1.772) 2.900 4.621 ( 3.841 -3.858 -0.933) 5.524 4.666 ( 0.834 2.403 -0.246) 2.555 4.718 ( 3.058 2.500 -0.141) 3.952 4.880 ( -2.570 -0.412 -1.744) 3.133 4.988 ( 0.829 -3.138 -2.317) 3.988 5.352 ( -6.198 4.098 6.018) 9.562 5.510 ( -0.014 -0.300 -4.155) 4.166 5.723 ( -1.827 -0.811 0.450) 2.050 5.990 ( 4.149 1.662 -4.507) 6.347 6.044 ( 0.064 0.896 -1.044) 1.378 11.769 ( 0.525 -2.125 -0.548) 2.257 11.814 ( -0.152 -3.056 0.321) 3.076 11.970 ( 0.438 -1.004 2.169) 2.430 12.170 ( -0.132 4.852 1.689) 5.140 12.990 ( -3.150 -21.746 3.431) 22.239 13.842 ( -3.482 11.297 -12.589) 17.270 14.076 ( -2.362 -0.979 6.238) 6.742 14.712 ( -0.898 -12.033 3.651) 12.606 15.182 ( -2.079 -15.608 -0.242) 15.748 15.327 ( 8.438 29.291 -7.119) 31.302 16.883 ( 5.938 -1.960 -2.907) 6.895 17.099 ( -2.382 -2.533 -0.055) 3.478 ======================= Grid point 49 (23/89) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -3.218 16.681 6.901) 18.337 1.232 ( -4.913 17.390 5.729) 18.957 1.721 ( 8.099 -9.298 -3.800) 12.903 1.914 ( 7.448 -7.841 2.957) 11.212 2.060 ( -4.887 1.932 2.693) 5.905 2.180 ( -1.535 0.546 2.269) 2.793 2.263 ( -0.141 -2.251 4.059) 4.644 2.313 ( -0.469 11.310 5.034) 12.389 2.388 ( 0.072 -1.485 5.704) 5.894 2.530 ( -1.662 0.988 5.550) 5.877 2.640 ( -3.829 -2.036 2.777) 5.150 2.699 ( 0.800 2.009 -4.922) 5.376 2.774 ( -1.505 -0.553 2.774) 3.204 2.807 ( -0.963 -2.609 3.068) 4.141 2.905 ( 0.925 -3.377 0.571) 3.547 2.991 ( 0.995 2.403 -2.948) 3.931 3.137 ( 1.606 -0.493 -1.347) 2.154 3.189 ( -0.737 3.639 -0.529) 3.750 3.352 ( 2.050 0.885 -0.907) 2.410 3.433 ( 2.293 5.853 5.018) 8.044 3.632 ( -0.427 3.282 3.577) 4.874 3.747 ( 2.398 -2.909 0.278) 3.780 3.885 ( 3.072 -2.092 -0.974) 3.842 3.935 ( 3.498 -2.902 -3.349) 5.645 4.004 ( -4.164 -0.354 -2.508) 4.874 4.089 ( -0.960 -4.115 1.880) 4.625 4.131 ( -0.804 -0.777 -1.720) 2.052 4.265 ( -5.727 0.786 -0.866) 5.845 4.360 ( 1.619 -1.876 -0.084) 2.479 4.372 ( 0.918 -3.045 2.101) 3.812 4.474 ( 0.477 1.326 0.241) 1.430 4.569 ( -2.810 6.016 0.810) 6.689 4.572 ( 0.864 0.573 -2.707) 2.899 4.683 ( 3.817 2.887 1.495) 5.014 4.778 ( 2.374 -3.947 -4.172) 6.214 4.898 ( -0.583 -4.301 -0.311) 4.351 5.038 ( -0.546 1.051 0.304) 1.222 5.230 ( -3.508 -0.658 0.888) 3.678 5.518 ( -0.456 -0.767 -2.314) 2.480 5.721 ( -1.783 -1.599 0.576) 2.463 5.970 ( -2.325 1.429 2.428) 3.653 6.051 ( 3.336 1.496 -4.104) 5.496 11.781 ( 1.412 0.245 -0.233) 1.452 11.890 ( -1.101 -1.222 0.435) 1.702 11.985 ( -1.162 -2.997 3.447) 4.713 12.123 ( 2.647 0.775 2.836) 3.956 13.304 ( 0.749 -13.954 -3.321) 14.364 13.656 ( -1.426 3.406 -12.601) 13.131 14.114 ( 0.239 -5.731 3.193) 6.565 14.808 ( -6.541 5.055 0.016) 8.266 14.905 ( 5.730 15.709 0.498) 16.729 15.475 ( 4.496 -10.925 -2.214) 12.020 16.892 ( -0.116 5.585 1.090) 5.691 17.105 ( -2.487 -1.723 -2.452) 3.894 ======================= Grid point 50 (24/89) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 6.981 15.759 12.489) 21.285 0.888 ( 2.756 19.933 9.178) 22.117 1.620 ( -6.535 31.680 12.734) 34.763 1.924 ( 0.420 -7.057 -3.584) 7.926 2.080 ( 3.459 -3.054 -1.173) 4.761 2.176 ( -2.684 -4.366 3.609) 6.268 2.238 ( 0.264 -0.380 3.649) 3.678 2.315 ( -1.810 -6.108 4.329) 7.703 2.471 ( -8.432 -3.492 1.206) 9.206 2.486 ( 2.751 -0.953 3.785) 4.775 2.606 ( -0.756 3.036 -0.907) 3.257 2.729 ( 3.047 -1.685 2.763) 4.445 2.744 ( 1.660 1.371 0.632) 2.244 2.855 ( 0.149 0.121 6.098) 6.101 2.909 ( -0.147 5.285 -3.004) 6.080 2.997 ( 0.264 1.000 -1.870) 2.137 3.028 ( -0.922 0.746 -2.046) 2.365 3.179 ( 1.541 6.780 3.195) 7.651 3.255 ( -0.799 0.326 4.963) 5.038 3.462 ( 1.723 -1.083 -1.909) 2.790 3.627 ( -1.245 -3.201 -0.356) 3.453 3.856 ( 2.129 -2.512 0.083) 3.294 3.933 ( -1.859 -1.168 3.445) 4.085 3.965 ( 2.712 -3.470 -1.743) 4.736 4.047 ( -1.257 -4.343 -1.817) 4.873 4.120 ( 0.653 1.562 -2.193) 2.770 4.167 ( -1.412 2.579 -5.164) 5.943 4.227 ( 3.969 -4.825 0.343) 6.257 4.383 ( 0.253 0.564 0.197) 0.649 4.395 ( -1.747 2.363 1.602) 3.347 4.462 ( 1.937 0.376 0.707) 2.096 4.493 ( 0.770 -0.984 0.058) 1.251 4.567 ( -0.453 -0.767 -2.778) 2.918 4.674 ( 1.216 1.847 0.515) 2.271 4.850 ( 3.171 0.090 -6.084) 6.861 4.879 ( -10.959 1.166 8.322) 13.810 5.019 ( 3.499 -1.533 -0.404) 3.841 5.289 ( 3.115 -3.311 -6.882) 8.248 5.526 ( -0.572 -1.346 -0.303) 1.493 5.723 ( -1.979 -1.345 1.083) 2.626 5.899 ( -2.987 2.866 3.794) 5.615 6.069 ( 1.846 0.312 -2.220) 2.904 11.799 ( 0.765 0.639 0.007) 0.997 11.819 ( -1.096 3.664 -0.191) 3.830 12.022 ( -3.143 -3.289 -0.054) 4.550 12.214 ( 1.982 -5.483 7.929) 9.842 13.302 ( -2.316 7.089 -18.004) 19.488 13.838 ( 2.039 -18.489 0.639) 18.612 14.317 ( 11.849 -11.085 -1.909) 16.338 14.489 ( -4.846 13.712 -2.684) 14.789 14.820 ( 1.604 10.981 7.944) 13.648 15.651 ( -0.454 -4.552 -9.624) 10.656 16.693 ( -7.678 11.748 4.483) 14.733 17.091 ( 0.064 1.214 -4.499) 4.660 ======================= Grid point 53 (25/89) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 18.218 0.000 2.386) 18.374 1.159 ( 16.142 0.000 6.204) 17.293 1.714 ( -7.988 -0.000 6.819) 10.502 1.868 ( -8.715 -0.000 4.799) 9.949 2.021 ( -1.809 -0.000 -1.681) 2.470 2.099 ( 10.260 0.000 5.385) 11.587 2.294 ( -1.780 -0.000 -1.448) 2.294 2.321 ( 5.145 0.000 -0.079) 5.145 2.400 ( -3.275 -0.000 2.467) 4.101 2.485 ( 8.286 0.000 7.987) 11.508 2.604 ( 5.648 0.000 1.142) 5.762 2.668 ( -3.975 -0.000 4.560) 6.050 2.669 ( 1.554 0.000 2.366) 2.831 2.726 ( -3.172 -0.000 0.742) 3.257 2.787 ( -0.868 -0.000 3.282) 3.395 2.876 ( 1.604 0.000 2.325) 2.824 2.975 ( 6.349 0.000 -3.064) 7.050 3.204 ( 1.220 0.000 -0.963) 1.554 3.621 ( -0.051 -0.000 -9.036) 9.036 3.737 ( 5.539 0.000 3.222) 6.408 3.787 ( -5.804 -0.000 1.233) 5.933 3.820 ( -1.775 -0.000 -3.166) 3.630 3.833 ( 0.223 0.000 1.852) 1.865 3.850 ( -2.889 -0.000 6.174) 6.816 3.996 ( -1.186 -0.000 -2.292) 2.581 4.078 ( -0.617 -0.000 -3.490) 3.544 4.161 ( -6.534 -0.000 -2.548) 7.013 4.204 ( 1.128 0.000 2.195) 2.468 4.283 ( -0.606 -0.000 0.534) 0.808 4.353 ( -0.723 -0.000 -0.377) 0.815 4.360 ( -1.204 -0.000 4.408) 4.569 4.533 ( -0.145 -0.000 -0.085) 0.168 4.702 ( 0.013 0.000 2.500) 2.500 4.744 ( 1.343 0.000 -10.167) 10.256 4.762 ( 1.804 0.000 0.496) 1.871 4.892 ( -1.096 -0.000 -0.889) 1.411 4.933 ( -0.835 -0.000 -0.007) 0.835 5.425 ( -1.400 -0.000 1.189) 1.837 5.493 ( -7.754 -0.000 6.134) 9.887 5.729 ( 0.602 0.000 -3.648) 3.697 6.046 ( -2.190 -0.000 1.788) 2.827 6.066 ( 7.668 0.000 -13.699) 15.699 11.685 ( 0.598 0.000 -0.870) 1.056 11.866 ( -3.081 -0.000 -3.239) 4.470 11.912 ( 1.825 0.000 -0.164) 1.833 12.191 ( 1.051 0.000 -0.858) 1.357 12.540 ( -3.375 -0.000 24.792) 25.020 13.951 ( -4.141 -0.000 -4.537) 6.143 14.358 ( -0.720 -0.000 6.014) 6.057 14.434 ( 0.410 0.000 -6.052) 6.066 14.627 ( -0.487 -0.000 3.097) 3.135 16.126 ( 6.826 0.000 -24.416) 25.352 16.630 ( 4.999 0.000 6.440) 8.153 17.087 ( -0.192 -0.000 -0.455) 0.494 ======================= Grid point 54 (26/89) ======================= q-point: ( 0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 14.396 -0.678 2.320) 14.597 1.427 ( 7.842 -7.982 1.091) 11.243 1.561 ( -2.040 4.412 9.346) 10.534 1.739 ( -5.595 3.876 6.099) 9.139 2.006 ( -2.017 -0.932 -1.105) 2.482 2.108 ( -6.221 -2.393 1.768) 6.896 2.284 ( 0.329 1.372 2.264) 2.668 2.364 ( 2.954 0.889 5.174) 6.024 2.426 ( 3.305 -2.309 -1.758) 4.398 2.508 ( -1.449 2.733 0.736) 3.180 2.589 ( 1.145 0.312 5.015) 5.154 2.689 ( -1.293 -1.409 0.234) 1.927 2.753 ( 0.782 -3.591 0.554) 3.717 2.807 ( 3.488 -2.750 3.494) 5.651 2.860 ( 3.883 -6.057 6.977) 10.022 2.899 ( 1.724 -1.965 1.110) 2.840 3.051 ( 6.717 -0.447 -3.777) 7.720 3.206 ( -2.653 -0.956 0.700) 2.905 3.548 ( -1.118 11.734 2.237) 11.998 3.670 ( -4.279 1.539 -2.367) 5.126 3.694 ( -0.437 1.612 0.795) 1.850 3.792 ( -2.401 1.862 -2.975) 4.252 3.835 ( 4.187 1.280 -0.002) 4.378 3.899 ( -0.513 -2.126 1.316) 2.552 4.010 ( -1.580 -2.988 -1.183) 3.582 4.037 ( -3.693 1.249 -1.329) 4.118 4.068 ( -0.077 1.767 -3.193) 3.651 4.243 ( -0.750 -2.833 2.046) 3.574 4.268 ( 0.165 0.282 3.599) 3.613 4.310 ( -3.109 -0.649 0.054) 3.176 4.479 ( 3.037 -6.015 0.939) 6.804 4.559 ( 0.185 -3.712 0.709) 3.784 4.651 ( -0.254 4.572 -3.301) 5.645 4.725 ( 0.803 2.711 -1.203) 3.072 4.784 ( -1.430 -0.502 -3.274) 3.608 4.819 ( -2.297 1.071 -1.575) 2.984 5.017 ( 7.914 -0.277 -1.198) 8.009 5.330 ( -7.730 3.916 5.866) 10.464 5.446 ( -3.795 -3.111 3.379) 5.958 5.735 ( 1.879 1.230 -5.272) 5.731 6.010 ( -2.137 0.818 2.116) 3.117 6.126 ( 5.099 2.364 -9.933) 11.413 11.725 ( 1.869 -3.008 1.134) 3.719 11.822 ( 0.432 1.603 -1.358) 2.145 11.954 ( 0.255 -1.374 -0.085) 1.400 12.218 ( 0.424 0.229 -0.155) 0.506 12.622 ( -2.602 -14.922 16.346) 22.285 13.874 ( -4.225 4.257 -7.740) 9.792 14.204 ( 1.711 10.443 5.358) 11.862 14.521 ( 0.740 -9.460 -2.006) 9.699 14.842 ( -2.427 -19.330 -1.077) 19.512 15.908 ( 4.987 27.392 -12.570) 30.548 16.827 ( 2.597 -11.833 -0.336) 12.119 17.068 ( -1.156 1.674 0.543) 2.106 ======================= Grid point 55 (27/89) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 2.063 13.658 8.036) 15.981 1.467 ( 1.396 11.997 2.535) 12.341 1.647 ( -1.034 -5.799 0.734) 5.936 1.826 ( 6.289 -11.672 6.801) 14.901 2.005 ( -2.771 -2.360 0.565) 3.683 2.076 ( -6.733 -4.197 -1.601) 8.094 2.272 ( 1.947 1.627 3.207) 4.089 2.355 ( -0.256 1.351 5.723) 5.886 2.455 ( -1.801 1.424 0.465) 2.343 2.544 ( 3.188 -5.585 2.936) 7.069 2.571 ( 0.031 5.205 1.885) 5.536 2.714 ( 0.271 -3.296 -1.494) 3.629 2.789 ( -0.203 -0.030 1.631) 1.644 2.800 ( -0.569 2.062 3.483) 4.087 2.896 ( 0.502 1.520 5.651) 5.874 3.012 ( 3.328 -2.904 -1.934) 4.822 3.143 ( -1.353 2.238 -2.055) 3.326 3.199 ( -0.431 -5.347 0.484) 5.386 3.344 ( -1.208 5.644 0.118) 5.773 3.575 ( -6.889 0.027 6.106) 9.206 3.622 ( -1.455 10.016 -0.102) 10.122 3.787 ( 3.898 -2.679 -3.732) 6.025 3.885 ( 1.348 -0.207 0.826) 1.595 3.907 ( -1.327 -1.926 -3.487) 4.198 3.978 ( -0.559 2.179 2.428) 3.310 4.057 ( 2.943 -2.154 -2.609) 4.484 4.105 ( 4.180 -2.507 -1.367) 5.062 4.208 ( -4.495 1.233 -0.650) 4.707 4.304 ( 0.587 -4.507 4.546) 6.428 4.345 ( 0.911 -3.125 0.606) 3.311 4.517 ( 0.189 2.480 -0.827) 2.621 4.591 ( -0.796 0.384 -1.552) 1.785 4.649 ( -0.598 4.997 -0.860) 5.106 4.701 ( 0.593 -7.261 0.913) 7.342 4.775 ( 1.864 2.967 -2.379) 4.235 4.805 ( -0.171 -2.927 -3.734) 4.747 5.079 ( -1.007 4.260 5.222) 6.814 5.201 ( 0.766 -0.610 -3.009) 3.164 5.454 ( -3.267 -2.921 4.095) 5.998 5.736 ( 2.471 1.864 -5.373) 6.201 5.966 ( -2.098 1.274 2.855) 3.766 6.126 ( 2.259 2.878 -5.710) 6.782 11.815 ( 2.587 -0.877 0.909) 2.878 11.831 ( 1.729 -3.403 2.673) 4.660 11.951 ( -2.175 0.146 0.487) 2.234 12.180 ( 0.195 3.769 1.579) 4.091 12.952 ( 0.088 -25.280 5.105) 25.791 13.689 ( -5.424 9.284 -12.985) 16.859 14.152 ( 5.569 1.960 8.103) 10.026 14.695 ( -1.007 -9.098 -1.791) 9.327 15.102 ( -1.943 -12.703 -5.645) 14.036 15.501 ( 2.568 22.915 -2.238) 23.167 16.987 ( -4.326 3.854 1.031) 5.885 17.015 ( 3.182 -5.695 -2.395) 6.950 ======================= Grid point 56 (28/89) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.484 13.957 8.167) 17.819 1.273 ( 8.188 15.969 7.076) 19.291 1.683 ( -9.093 -7.426 -3.463) 12.240 1.941 ( -11.161 -2.708 2.180) 11.690 2.021 ( -1.694 -1.035 4.668) 5.072 2.127 ( 7.270 -2.192 -0.290) 7.599 2.243 ( -3.252 9.271 3.269) 10.355 2.274 ( 0.632 0.034 0.928) 1.123 2.409 ( 1.375 1.698 6.220) 6.592 2.498 ( 0.506 1.506 4.839) 5.093 2.664 ( 2.758 0.453 0.033) 2.795 2.719 ( -0.067 1.029 3.987) 4.118 2.781 ( 0.900 -0.862 0.361) 1.297 2.837 ( 2.934 -4.282 3.546) 6.286 2.929 ( 2.824 -3.408 0.418) 4.446 2.986 ( -3.029 4.883 -3.252) 6.602 3.145 ( 0.830 -0.397 -0.825) 1.236 3.152 ( -2.152 2.893 -1.865) 4.060 3.375 ( -4.817 2.326 2.611) 5.952 3.425 ( 4.690 2.582 -3.852) 6.595 3.524 ( -9.241 -4.610 6.095) 11.991 3.832 ( 0.691 2.285 3.058) 3.879 3.892 ( -3.154 -1.689 -2.352) 4.281 3.922 ( 0.327 -3.321 1.239) 3.559 3.998 ( 3.170 -2.310 -2.095) 4.447 4.121 ( -2.594 -1.493 -1.030) 3.165 4.165 ( 2.079 -0.263 -3.943) 4.465 4.226 ( 6.898 -3.135 0.933) 7.634 4.383 ( -1.018 -1.351 0.486) 1.760 4.417 ( 2.348 -4.954 4.230) 6.924 4.482 ( 0.698 0.980 -1.126) 1.648 4.500 ( -1.147 6.650 0.049) 6.748 4.613 ( 1.170 1.319 -2.149) 2.780 4.707 ( -0.502 2.818 -2.396) 3.733 4.763 ( -8.653 0.660 2.378) 8.998 4.867 ( 2.032 -2.046 -4.922) 5.704 4.990 ( -0.269 -1.697 6.670) 6.888 5.313 ( 7.354 -2.541 -8.907) 11.826 5.460 ( -3.305 -3.103 4.875) 6.658 5.741 ( 3.047 1.628 -4.326) 5.536 5.910 ( -2.122 2.342 3.402) 4.644 6.099 ( 0.070 1.707 -2.353) 2.908 11.832 ( 1.797 0.983 1.288) 2.419 11.872 ( -1.163 3.211 1.122) 3.594 11.944 ( -0.582 -2.962 1.284) 3.280 12.144 ( -1.434 -1.811 3.739) 4.395 13.364 ( 3.396 -7.064 -4.225) 8.904 13.495 ( -6.279 -7.945 -11.118) 15.038 14.274 ( 6.500 -6.073 5.183) 10.296 14.684 ( -2.003 7.217 -7.702) 10.743 15.061 ( 5.777 14.564 6.157) 16.834 15.437 ( -8.175 -12.243 -2.708) 14.969 16.826 ( -2.163 9.084 0.630) 9.359 17.106 ( 2.051 -1.132 -3.039) 3.837 ======================= Grid point 60 (29/89) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 2.104 0.000 7.211) 7.512 1.540 ( -0.925 -0.000 3.684) 3.799 1.621 ( 10.568 0.000 4.644) 11.543 1.718 ( -1.551 -0.000 4.913) 5.152 1.961 ( -2.899 -0.000 -2.449) 3.795 1.973 ( -8.474 -0.000 2.642) 8.876 2.326 ( 5.648 0.000 3.639) 6.719 2.384 ( 0.741 0.000 0.390) 0.838 2.481 ( 6.313 0.000 -0.774) 6.361 2.547 ( -4.705 -0.000 5.382) 7.149 2.585 ( -2.650 -0.000 -0.619) 2.721 2.624 ( -4.197 -0.000 2.433) 4.851 2.738 ( 3.030 0.000 3.772) 4.838 2.811 ( -0.995 -0.000 6.666) 6.740 2.849 ( 4.075 0.000 2.491) 4.776 2.892 ( -0.745 -0.000 2.763) 2.862 3.121 ( 0.850 0.000 -2.135) 2.298 3.155 ( -1.239 -0.000 0.427) 1.311 3.597 ( -5.995 -0.000 -4.311) 7.384 3.659 ( 2.460 0.000 -4.805) 5.398 3.730 ( -1.899 -0.000 4.526) 4.908 3.772 ( -2.784 -0.000 -3.039) 4.121 3.825 ( 0.989 0.000 -0.583) 1.147 3.899 ( 0.847 0.000 2.352) 2.500 3.967 ( -0.493 -0.000 -2.005) 2.064 4.014 ( 0.162 0.000 -1.188) 1.199 4.146 ( 6.263 0.000 -0.048) 6.263 4.208 ( 0.140 0.000 0.512) 0.531 4.269 ( -0.402 -0.000 -0.541) 0.674 4.321 ( -1.713 -0.000 2.713) 3.208 4.380 ( -1.554 -0.000 3.895) 4.193 4.543 ( 0.506 0.000 -1.485) 1.569 4.696 ( 0.053 0.000 -1.880) 1.881 4.731 ( 0.346 0.000 2.326) 2.352 4.773 ( -0.046 -0.000 -9.700) 9.700 4.819 ( 0.107 0.000 -1.996) 1.999 5.136 ( 9.575 0.000 -0.046) 9.576 5.258 ( -10.132 -0.000 6.853) 12.232 5.373 ( -1.755 -0.000 4.311) 4.655 5.780 ( 3.092 0.000 -6.076) 6.818 5.988 ( -2.146 -0.000 2.513) 3.305 6.199 ( 2.697 0.000 -10.270) 10.618 11.732 ( 2.867 0.000 2.237) 3.636 11.849 ( 1.634 0.000 -0.823) 1.829 11.943 ( 0.003 0.000 -1.188) 1.188 12.209 ( 0.510 0.000 0.160) 0.535 12.482 ( -2.061 -0.000 20.293) 20.397 13.893 ( 0.113 0.000 -3.606) 3.608 14.349 ( 0.289 0.000 4.260) 4.270 14.449 ( 0.592 0.000 -4.845) 4.881 14.590 ( -3.012 -0.000 -3.626) 4.714 16.244 ( 3.792 0.000 -17.668) 18.071 16.674 ( -2.017 -0.000 4.923) 5.320 17.077 ( -0.496 -0.000 0.491) 0.698 ======================= Grid point 61 (30/89) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -9.393 -0.143 3.843) 10.150 1.514 ( -6.285 -3.735 6.369) 9.696 1.665 ( 3.097 5.112 3.651) 7.004 1.729 ( 0.370 -0.109 9.250) 9.258 1.926 ( 0.989 -0.010 -2.414) 2.609 2.018 ( 6.403 -4.959 -4.816) 9.423 2.365 ( 2.770 5.257 4.261) 7.312 2.388 ( -3.327 2.017 7.420) 8.378 2.437 ( -0.369 0.746 -0.079) 0.836 2.492 ( -6.066 -0.189 3.874) 7.200 2.583 ( 3.481 -4.488 0.256) 5.686 2.653 ( 0.224 -4.490 -0.550) 4.529 2.767 ( 0.309 -1.083 3.021) 3.224 2.814 ( -3.189 0.594 4.026) 5.170 2.869 ( -2.089 -4.460 4.861) 6.920 2.958 ( 0.164 -7.310 4.057) 8.362 3.095 ( -4.494 -2.095 -1.426) 5.159 3.143 ( 0.238 2.986 -0.934) 3.138 3.505 ( -2.924 5.801 -4.274) 7.776 3.538 ( -1.598 11.136 1.963) 11.420 3.710 ( -1.247 -1.175 -2.369) 2.924 3.777 ( 2.787 0.906 -4.047) 4.997 3.852 ( -2.336 -2.027 0.032) 3.093 3.903 ( 0.457 1.056 0.909) 1.467 3.988 ( -1.316 -2.352 -2.203) 3.480 4.042 ( 3.496 -0.652 1.474) 3.850 4.216 ( -0.409 3.234 0.248) 3.269 4.221 ( 10.336 2.079 -1.323) 10.626 4.256 ( 0.413 -2.482 3.794) 4.552 4.295 ( 0.252 -2.695 0.935) 2.863 4.452 ( -5.498 -7.681 1.130) 9.513 4.543 ( 0.196 0.053 -1.559) 1.572 4.686 ( -1.668 1.171 0.765) 2.176 4.731 ( 4.621 3.000 -2.687) 6.130 4.783 ( 1.712 -1.063 -5.045) 5.433 4.820 ( 0.516 0.771 -4.135) 4.237 5.094 ( -8.513 3.903 7.659) 12.098 5.258 ( 8.958 -0.260 -1.853) 9.151 5.377 ( -1.654 -2.018 4.418) 5.131 5.808 ( 3.537 1.648 -5.737) 6.938 5.958 ( -1.734 0.672 2.679) 3.261 6.189 ( -0.197 2.749 -7.415) 7.910 11.790 ( 2.801 -2.490 4.030) 5.503 11.873 ( 3.384 0.949 1.090) 3.680 11.928 ( -2.370 0.563 -0.545) 2.496 12.230 ( 0.151 1.061 1.618) 1.940 12.586 ( 0.040 -16.770 12.024) 20.635 13.822 ( 0.280 9.858 -5.423) 11.255 14.265 ( 2.373 4.946 5.798) 7.982 14.532 ( 0.020 -8.449 -4.870) 9.752 14.761 ( -3.611 -19.345 -4.139) 20.110 15.972 ( -0.035 27.932 -7.936) 29.038 16.816 ( -2.543 -12.911 -1.923) 13.299 17.058 ( 0.402 1.408 0.163) 1.473 ======================= Grid point 62 (31/89) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -10.549 -3.093 3.536) 11.548 1.475 ( -8.806 -3.947 3.378) 10.225 1.580 ( 4.897 9.720 1.112) 10.940 1.691 ( -3.885 1.179 4.880) 6.348 2.015 ( 5.507 -3.625 -0.128) 6.595 2.169 ( 3.713 -0.780 0.582) 3.838 2.287 ( 1.461 0.674 2.574) 3.035 2.351 ( 0.425 1.445 3.690) 3.985 2.421 ( -1.992 0.583 3.651) 4.199 2.442 ( -6.936 -4.099 6.741) 10.505 2.702 ( -0.399 -5.001 -2.580) 5.641 2.733 ( 3.337 0.236 1.728) 3.766 2.772 ( -0.773 -0.006 3.846) 3.923 2.814 ( 1.931 -3.884 3.347) 5.479 2.914 ( 0.789 -1.957 5.258) 5.665 3.024 ( -2.974 4.557 -1.754) 5.717 3.083 ( 1.435 -5.405 0.481) 5.613 3.161 ( -2.173 -7.311 0.105) 7.627 3.309 ( -1.110 9.557 2.639) 9.976 3.384 ( -5.235 4.721 -3.020) 7.669 3.617 ( 0.637 7.073 -1.993) 7.376 3.812 ( -2.870 -0.522 -1.682) 3.368 3.864 ( -0.920 -0.924 -1.685) 2.131 3.910 ( 2.514 -0.348 0.045) 2.539 4.000 ( 0.517 -1.475 -0.249) 1.583 4.083 ( 0.758 -0.872 0.844) 1.431 4.179 ( 0.912 0.663 -1.299) 1.720 4.291 ( 4.095 0.247 3.389) 5.322 4.335 ( -0.168 -2.628 -0.609) 2.703 4.381 ( 3.845 -3.460 1.708) 5.447 4.476 ( -1.641 -3.095 0.609) 3.556 4.536 ( -1.946 0.448 -2.056) 2.866 4.627 ( -1.000 2.083 0.002) 2.311 4.729 ( -1.710 4.210 -0.934) 4.639 4.762 ( -0.768 3.574 -2.945) 4.694 4.838 ( 1.172 -2.641 -4.411) 5.273 4.999 ( 1.259 0.368 4.338) 4.531 5.363 ( 1.809 -1.655 1.325) 2.787 5.389 ( 2.506 -0.810 -0.781) 2.747 5.817 ( 2.983 2.297 -4.015) 5.505 5.924 ( -0.603 1.527 1.762) 2.408 6.120 ( -2.623 2.566 -2.978) 4.726 11.847 ( -2.221 1.041 0.711) 2.554 11.891 ( 0.090 -3.056 2.015) 3.662 11.916 ( 4.597 0.335 4.238) 6.262 12.154 ( -2.238 5.092 3.277) 6.456 13.019 ( 5.275 -28.018 -0.943) 28.526 13.607 ( -0.714 14.226 -7.248) 15.982 14.279 ( 2.964 -1.246 5.320) 6.216 14.656 ( -1.399 -5.619 -6.637) 8.808 15.060 ( -3.553 -19.837 -2.589) 20.318 15.469 ( -2.277 26.920 1.742) 27.072 16.884 ( -2.229 0.678 -2.623) 3.509 17.097 ( 2.335 -3.400 -1.411) 4.360 ======================= Grid point 67 (32/89) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -14.997 -0.000 8.416) 17.197 1.239 ( -20.273 -0.000 2.697) 20.451 1.781 ( 6.522 0.000 1.591) 6.713 1.793 ( 4.298 0.000 9.587) 10.506 1.985 ( 3.893 0.000 -2.398) 4.572 2.056 ( 2.908 0.000 -6.670) 7.276 2.228 ( -15.296 -0.000 11.639) 19.220 2.428 ( -4.152 -0.000 3.250) 5.273 2.449 ( 0.480 0.000 1.618) 1.688 2.498 ( 5.086 0.000 4.690) 6.918 2.539 ( -1.092 -0.000 1.924) 2.212 2.652 ( 6.705 0.000 -0.988) 6.778 2.738 ( -2.224 -0.000 4.461) 4.985 2.759 ( -1.540 -0.000 6.429) 6.611 2.824 ( 0.219 0.000 3.239) 3.247 2.891 ( 0.120 0.000 3.623) 3.625 3.020 ( -4.423 -0.000 -0.074) 4.424 3.180 ( -1.715 -0.000 -0.757) 1.874 3.511 ( -1.733 -0.000 -8.661) 8.833 3.656 ( -5.504 -0.000 -2.350) 5.984 3.664 ( 1.404 0.000 -0.973) 1.709 3.817 ( 3.984 0.000 0.315) 3.996 3.820 ( -1.272 -0.000 -2.522) 2.824 3.927 ( 1.368 0.000 2.471) 2.824 3.948 ( -0.089 -0.000 -3.248) 3.249 4.082 ( 2.149 0.000 0.964) 2.356 4.229 ( 0.335 0.000 1.922) 1.951 4.271 ( -1.862 -0.000 1.886) 2.650 4.282 ( -3.674 -0.000 1.924) 4.147 4.286 ( 1.992 0.000 -2.244) 3.001 4.384 ( 10.152 0.000 0.209) 10.154 4.537 ( -0.859 -0.000 -1.698) 1.903 4.659 ( -2.911 -0.000 1.133) 3.123 4.795 ( 2.721 0.000 -13.406) 13.679 4.809 ( 0.106 0.000 0.033) 0.111 4.853 ( 3.654 0.000 -1.344) 3.893 5.019 ( -6.266 -0.000 9.484) 11.367 5.350 ( -0.509 -0.000 3.260) 3.299 5.375 ( 8.469 0.000 -0.698) 8.498 5.865 ( 2.823 0.000 -3.565) 4.548 5.948 ( -0.429 -0.000 1.569) 1.626 6.195 ( -2.778 -0.000 -8.391) 8.839 11.810 ( 2.405 0.000 4.267) 4.898 11.900 ( -2.867 -0.000 -0.531) 2.915 11.937 ( 5.207 0.000 2.726) 5.877 12.224 ( 0.495 0.000 -1.083) 1.191 12.450 ( -0.253 -0.000 19.507) 19.509 13.963 ( 5.167 0.000 0.198) 5.171 14.364 ( 0.260 0.000 4.070) 4.079 14.459 ( 0.292 0.000 -6.362) 6.369 14.465 ( -6.381 -0.000 -5.557) 8.461 16.332 ( 3.253 0.000 -15.764) 16.096 16.544 ( -7.296 -0.000 3.165) 7.953 17.067 ( -0.230 -0.000 -0.912) 0.940 ======================= Grid point 68 (33/89) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -20.773 -4.395 2.836) 21.421 1.118 ( -20.076 -9.123 6.458) 22.978 1.817 ( 7.030 7.180 0.219) 10.051 1.825 ( 2.106 0.380 7.240) 7.550 1.921 ( -16.282 -8.799 10.480) 21.269 2.050 ( 3.181 -1.938 -2.557) 4.518 2.292 ( 7.985 -1.032 1.002) 8.113 2.363 ( -0.487 1.788 2.949) 3.483 2.431 ( 0.618 2.816 3.666) 4.664 2.481 ( 0.479 4.548 5.547) 7.189 2.591 ( 0.563 -5.827 -1.035) 5.945 2.728 ( -1.686 -0.899 4.208) 4.622 2.746 ( 0.709 -0.794 3.640) 3.792 2.797 ( 3.467 -2.138 3.632) 5.457 2.859 ( 0.818 -5.090 0.308) 5.165 2.974 ( 1.461 -7.307 4.531) 8.721 2.995 ( 0.082 -2.057 2.299) 3.086 3.109 ( -6.197 0.852 -2.061) 6.586 3.423 ( -4.281 7.218 -7.008) 10.933 3.511 ( -1.073 8.200 0.170) 8.271 3.673 ( 0.515 2.811 -1.342) 3.157 3.802 ( -0.129 0.147 0.211) 0.288 3.852 ( 0.566 0.186 -5.284) 5.318 3.948 ( 2.179 -0.188 1.857) 2.869 3.965 ( 2.032 -1.343 -4.579) 5.187 4.095 ( 0.196 -0.048 2.457) 2.465 4.203 ( -0.796 2.100 1.030) 2.471 4.277 ( 0.219 -3.840 2.470) 4.571 4.320 ( 2.223 -0.527 -0.967) 2.481 4.333 ( -2.975 -6.416 1.403) 7.210 4.458 ( 5.429 2.163 -1.334) 5.994 4.529 ( -1.045 0.132 -2.634) 2.837 4.633 ( -1.395 -0.119 0.713) 1.572 4.764 ( -6.390 5.380 -0.684) 8.381 4.803 ( -0.019 0.613 -0.200) 0.645 4.852 ( 4.258 -0.284 -10.316) 11.164 5.016 ( 2.970 -0.354 6.643) 7.285 5.340 ( -1.211 0.302 2.789) 3.056 5.464 ( 5.997 0.712 -1.625) 6.254 5.870 ( -0.187 1.456 0.579) 1.578 5.956 ( 2.723 0.869 -1.868) 3.414 6.112 ( -5.664 2.807 -5.461) 8.354 11.830 ( -0.601 -0.377 1.796) 1.931 11.855 ( -2.173 0.556 0.918) 2.423 12.005 ( 6.728 1.022 5.358) 8.661 12.213 ( -1.340 3.697 4.663) 6.100 12.663 ( 6.655 -22.713 6.440) 24.528 13.869 ( 2.832 15.211 -0.843) 15.495 14.297 ( -0.313 0.898 3.502) 3.629 14.524 ( -0.314 -7.322 -6.283) 9.654 14.670 ( -3.355 -21.184 -2.553) 21.599 15.907 ( -4.227 30.744 -5.044) 31.440 16.758 ( -1.667 -13.895 -4.705) 14.764 17.071 ( 0.364 -1.300 -2.147) 2.536 ======================= Grid point 74 (34/89) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -24.383 -0.000 2.167) 24.479 0.782 ( -18.779 -0.000 13.162) 22.932 1.378 ( -32.024 -0.000 23.579) 39.768 1.955 ( 5.853 0.000 2.763) 6.472 2.031 ( 10.496 0.000 -2.762) 10.854 2.090 ( 5.064 0.000 -3.604) 6.215 2.347 ( -1.173 -0.000 -2.721) 2.963 2.397 ( 7.164 0.000 2.583) 7.616 2.486 ( -3.077 -0.000 7.685) 8.279 2.489 ( 2.580 0.000 2.643) 3.693 2.596 ( 4.431 0.000 2.613) 5.144 2.756 ( 5.688 0.000 11.661) 12.975 2.778 ( 2.328 0.000 -3.285) 4.027 2.782 ( -1.792 -0.000 3.361) 3.809 2.824 ( 3.866 0.000 3.952) 5.528 2.929 ( 0.619 0.000 4.795) 4.835 2.978 ( -12.116 -0.000 -1.586) 12.219 2.993 ( 1.935 0.000 4.234) 4.655 3.463 ( -1.432 -0.000 -9.941) 10.043 3.501 ( -6.221 -0.000 0.673) 6.258 3.749 ( 4.124 0.000 -3.116) 5.169 3.801 ( 0.659 0.000 -4.273) 4.324 3.863 ( 0.852 0.000 0.501) 0.988 3.968 ( 0.953 0.000 -4.444) 4.545 4.010 ( 5.083 0.000 2.871) 5.837 4.092 ( -0.069 -0.000 2.089) 2.090 4.209 ( -2.755 -0.000 2.418) 3.665 4.229 ( -1.187 -0.000 1.312) 1.770 4.245 ( 1.128 0.000 1.041) 1.535 4.344 ( 1.948 0.000 -3.123) 3.681 4.503 ( -1.463 -0.000 -3.361) 3.666 4.557 ( 2.017 0.000 -1.349) 2.427 4.600 ( -1.169 -0.000 1.753) 2.107 4.717 ( -7.288 -0.000 -1.226) 7.391 4.807 ( -1.756 -0.000 -1.515) 2.319 4.878 ( 3.167 0.000 -8.413) 8.990 5.067 ( 2.120 0.000 5.461) 5.858 5.333 ( -0.653 -0.000 -0.167) 0.674 5.542 ( 4.109 0.000 -0.731) 4.173 5.867 ( -1.583 -0.000 3.001) 3.392 6.007 ( 3.556 0.000 -2.516) 4.356 6.049 ( -8.971 -0.000 -9.522) 13.082 11.833 ( -1.738 -0.000 0.414) 1.787 11.835 ( -0.452 -0.000 2.990) 3.024 12.106 ( 6.291 0.000 4.868) 7.955 12.221 ( -0.819 -0.000 -2.582) 2.709 12.559 ( 13.348 0.000 28.474) 31.447 14.126 ( 6.524 0.000 4.228) 7.774 14.282 ( -7.446 -0.000 -5.103) 9.027 14.341 ( -2.254 -0.000 3.341) 4.030 14.464 ( 0.290 0.000 -7.700) 7.705 16.352 ( -4.734 -0.000 -22.158) 22.658 16.364 ( -5.427 -0.000 2.642) 6.036 17.063 ( -0.106 -0.000 -3.168) 3.170 ======================= Grid point 75 (35/89) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.223 -0.000 21.371) 21.486 0.876 ( 14.124 0.000 21.268) 25.530 1.460 ( -7.218 -0.000 32.587) 33.377 2.021 ( 0.701 0.000 -5.099) 5.146 2.035 ( -2.393 -0.000 -2.167) 3.228 2.149 ( 0.312 0.000 -4.668) 4.679 2.226 ( 2.955 0.000 -7.438) 8.003 2.470 ( -10.434 -0.000 -3.339) 10.955 2.488 ( 3.475 0.000 -6.242) 7.144 2.522 ( -4.762 -0.000 4.505) 6.556 2.621 ( 1.264 0.000 5.755) 5.892 2.733 ( -0.775 -0.000 3.514) 3.599 2.774 ( -0.013 -0.000 1.923) 1.923 2.836 ( 1.245 0.000 1.388) 1.865 2.959 ( -4.642 -0.000 -1.541) 4.891 3.031 ( -1.056 -0.000 4.971) 5.081 3.111 ( 2.925 0.000 7.741) 8.275 3.262 ( 4.770 0.000 -0.099) 4.771 3.345 ( 0.111 0.000 2.219) 2.222 3.428 ( 0.950 0.000 1.071) 1.432 3.722 ( 1.416 0.000 -2.783) 3.123 3.762 ( 3.290 0.000 -6.114) 6.943 3.854 ( -2.705 -0.000 -4.682) 5.408 3.870 ( 0.279 0.000 -5.921) 5.927 4.081 ( -0.399 -0.000 -1.217) 1.280 4.199 ( -0.160 -0.000 -0.512) 0.536 4.232 ( 0.853 0.000 2.313) 2.466 4.253 ( -2.981 -0.000 0.113) 2.983 4.318 ( 0.865 0.000 2.005) 2.183 4.330 ( -4.782 -0.000 0.711) 4.835 4.456 ( 2.573 0.000 -2.092) 3.317 4.496 ( 9.345 0.000 1.131) 9.414 4.545 ( 2.459 0.000 -2.597) 3.577 4.617 ( 0.115 0.000 0.444) 0.458 4.733 ( 1.007 0.000 -1.846) 2.103 4.799 ( 5.454 0.000 -10.846) 12.140 5.152 ( -10.896 -0.000 13.636) 17.455 5.288 ( -3.387 -0.000 1.183) 3.588 5.542 ( 0.371 0.000 -1.477) 1.523 5.866 ( -1.860 -0.000 5.427) 5.737 5.878 ( -0.981 -0.000 1.560) 1.842 6.049 ( 2.064 0.000 -1.535) 2.572 11.810 ( -4.452 -0.000 1.151) 4.598 11.868 ( 1.710 0.000 2.566) 3.083 12.101 ( -0.724 -0.000 -4.753) 4.808 12.107 ( -5.799 -0.000 -1.813) 6.076 13.423 ( 1.653 0.000 5.511) 5.754 14.147 ( -6.324 -0.000 -5.193) 8.183 14.266 ( 0.136 0.000 -9.481) 9.482 14.304 ( 23.765 0.000 -4.717) 24.228 14.553 ( 3.183 0.000 14.525) 14.870 15.493 ( -22.141 -0.000 -5.506) 22.815 16.423 ( 3.349 0.000 5.980) 6.854 16.966 ( 0.494 0.000 -6.399) 6.419 ======================= Grid point 76 (36/89) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.283 -7.076 19.525) 21.205 1.107 ( 9.942 -8.511 17.585) 21.921 1.619 ( 8.714 -12.297 22.838) 27.362 1.975 ( 0.879 2.462 0.696) 2.705 2.028 ( -5.993 -0.618 -4.128) 7.303 2.135 ( -5.251 -0.536 -5.892) 7.911 2.207 ( 1.001 0.090 -3.323) 3.471 2.385 ( -1.516 -0.368 -3.428) 3.767 2.477 ( -0.671 0.252 2.714) 2.807 2.538 ( -2.322 0.546 -1.486) 2.810 2.595 ( -1.462 3.072 5.615) 6.565 2.731 ( 3.075 -3.502 2.139) 5.127 2.800 ( -1.391 -2.026 3.184) 4.022 2.871 ( 0.796 -0.969 1.776) 2.174 2.878 ( -3.765 0.873 -1.344) 4.092 2.999 ( -1.915 0.123 3.428) 3.928 3.128 ( -0.552 1.788 5.103) 5.435 3.208 ( -1.950 2.230 2.775) 4.059 3.379 ( -1.611 -5.151 2.238) 5.843 3.463 ( 6.000 3.085 2.597) 7.229 3.667 ( -0.436 6.433 -2.900) 7.070 3.801 ( 1.843 -2.149 -3.205) 4.276 3.896 ( 0.472 -1.189 -6.684) 6.805 3.919 ( 0.392 -5.852 -6.827) 9.001 4.033 ( -0.677 1.815 -2.386) 3.073 4.139 ( 0.412 5.123 4.130) 6.593 4.177 ( -0.816 4.117 2.507) 4.889 4.273 ( -1.425 -3.596 -3.837) 5.448 4.334 ( 1.833 -2.820 2.450) 4.161 4.362 ( -1.261 -3.921 1.593) 4.416 4.452 ( 0.907 3.001 -0.314) 3.150 4.497 ( 0.805 2.374 -1.873) 3.129 4.649 ( 0.050 -2.336 -0.101) 2.339 4.695 ( 1.356 1.074 -2.713) 3.217 4.713 ( 7.420 2.519 -3.060) 8.412 4.919 ( 3.358 -4.000 -8.032) 9.581 5.005 ( -7.382 0.251 11.072) 13.310 5.247 ( -2.226 0.775 -1.274) 2.679 5.536 ( 1.379 1.392 -1.194) 2.295 5.811 ( -1.673 2.785 5.242) 6.167 5.888 ( -2.038 -2.256 3.140) 4.371 6.057 ( 1.142 1.192 -2.291) 2.824 11.752 ( -2.681 -1.437 2.451) 3.906 11.885 ( 0.471 0.586 2.491) 2.602 11.989 ( -3.499 2.003 -0.882) 4.128 12.213 ( -2.673 -9.146 -4.761) 10.652 13.204 ( -4.369 12.412 9.042) 15.966 13.992 ( -5.390 10.711 -9.721) 15.437 14.235 ( -3.552 0.242 -5.959) 6.941 14.575 ( 18.901 4.877 -6.819) 20.676 14.792 ( 5.714 -14.183 7.868) 17.196 15.342 ( -12.645 -11.016 -1.415) 16.830 16.553 ( 3.507 -7.037 4.793) 9.208 16.985 ( 1.920 -0.890 -5.952) 6.317 ======================= Grid point 77 (37/89) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 7.264 -10.533 11.908) 17.479 1.397 ( 8.298 -10.787 10.803) 17.376 1.677 ( -5.164 9.708 2.845) 11.358 1.908 ( -6.179 4.858 -0.043) 7.860 2.065 ( -0.819 -3.635 1.815) 4.144 2.168 ( 1.922 -9.615 10.647) 14.474 2.260 ( 7.493 -1.144 -1.673) 7.762 2.343 ( 0.224 6.494 -0.323) 6.505 2.458 ( -3.926 -4.081 -3.676) 6.751 2.544 ( 2.683 -7.287 5.347) 9.428 2.602 ( -0.321 -1.516 4.921) 5.159 2.776 ( -2.507 2.325 -1.516) 3.740 2.809 ( -1.713 -2.391 1.943) 3.525 2.848 ( 2.841 -2.049 1.569) 3.838 2.939 ( 0.665 -3.314 -2.132) 3.996 2.988 ( 0.089 0.966 2.370) 2.561 3.075 ( -1.752 0.436 5.433) 5.725 3.221 ( 1.526 -3.575 0.518) 3.922 3.421 ( 0.339 0.932 6.178) 6.257 3.475 ( 2.203 2.262 0.136) 3.160 3.533 ( -3.635 5.431 0.305) 6.543 3.836 ( -1.713 2.270 -3.724) 4.685 3.890 ( 0.370 -1.210 -1.658) 2.086 3.980 ( 0.521 0.954 -4.240) 4.377 4.017 ( 0.039 1.831 0.172) 1.839 4.046 ( -1.543 2.094 1.142) 2.841 4.148 ( 2.755 0.635 -2.237) 3.605 4.304 ( -0.040 -1.880 -3.561) 4.027 4.362 ( -2.534 1.369 1.208) 3.123 4.417 ( 1.905 -2.965 1.172) 3.714 4.465 ( -0.853 -3.563 -1.973) 4.161 4.486 ( 1.993 -0.069 -1.162) 2.308 4.616 ( 1.833 6.572 1.972) 7.101 4.673 ( -1.856 -1.466 0.712) 2.470 4.753 ( -1.360 0.466 0.809) 1.650 4.836 ( -3.486 2.547 2.515) 4.996 5.080 ( -0.220 -4.396 1.129) 4.544 5.218 ( 2.989 1.327 -7.893) 8.543 5.534 ( 1.634 2.256 -0.155) 2.790 5.747 ( -0.122 2.592 1.869) 3.198 5.903 ( -2.223 -2.773 3.064) 4.693 6.048 ( 0.271 0.837 -2.873) 3.005 11.807 ( -2.105 -4.618 2.455) 5.638 11.843 ( -1.345 -1.531 1.484) 2.521 11.990 ( 2.420 -1.650 2.875) 4.104 12.252 ( -3.907 0.206 0.092) 3.914 13.095 ( 0.738 -2.928 3.679) 4.760 13.669 ( -3.196 19.490 -12.710) 23.487 14.200 ( -6.591 -3.907 -4.345) 8.809 14.679 ( 13.925 8.047 -6.672) 17.412 15.058 ( 2.521 -12.467 7.042) 14.539 15.359 ( -9.881 -5.278 0.104) 11.203 16.698 ( 2.681 -4.951 0.254) 5.636 17.049 ( 2.983 -2.616 -3.756) 5.464 ======================= Grid point 78 (38/89) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -9.048 9.523 8.412) 15.599 1.457 ( 6.018 -6.718 1.284) 9.110 1.609 ( -3.629 0.757 9.621) 10.310 1.735 ( 2.365 0.819 3.783) 4.536 2.086 ( 1.510 -1.589 0.919) 2.377 2.263 ( -0.608 1.153 -1.152) 1.740 2.308 ( 6.207 -0.028 -1.754) 6.450 2.382 ( 1.233 -2.306 5.189) 5.811 2.475 ( -2.263 -1.719 -0.392) 2.869 2.614 ( -1.089 -0.124 5.661) 5.767 2.699 ( 1.337 -2.801 -4.753) 5.677 2.741 ( -1.920 -0.686 6.182) 6.509 2.859 ( 3.051 -2.519 1.952) 4.411 2.871 ( -3.279 -1.784 2.044) 4.256 2.921 ( -1.285 0.745 0.989) 1.784 3.026 ( 0.480 -2.478 -2.005) 3.224 3.097 ( -0.178 0.768 6.740) 6.786 3.244 ( 0.201 3.507 5.025) 6.131 3.374 ( 1.621 4.171 4.021) 6.016 3.420 ( -0.951 2.780 4.023) 4.982 3.496 ( 3.589 -3.124 -2.463) 5.358 3.751 ( -2.368 2.521 -3.205) 4.716 3.878 ( -2.797 1.854 3.199) 4.636 3.919 ( -1.442 0.191 -0.608) 1.577 4.001 ( -0.082 2.004 -1.789) 2.688 4.072 ( 1.294 -2.649 -2.271) 3.721 4.175 ( 3.324 0.902 -2.554) 4.288 4.307 ( -2.724 0.535 -1.610) 3.209 4.344 ( 1.189 -2.054 -0.911) 2.543 4.461 ( -0.622 0.170 -2.070) 2.168 4.464 ( -2.209 -1.466 2.472) 3.625 4.549 ( -1.175 -4.065 -5.140) 6.657 4.561 ( 3.510 3.372 -1.436) 5.074 4.641 ( -2.698 2.323 4.430) 5.683 4.686 ( -1.225 2.499 1.875) 3.356 4.806 ( 0.109 0.989 -3.225) 3.375 5.120 ( -0.886 -3.531 6.836) 7.745 5.303 ( 5.651 -3.313 -8.605) 10.815 5.476 ( -3.137 2.974 5.393) 6.912 5.751 ( 3.549 -0.088 -4.109) 5.430 5.921 ( -1.532 -2.369 2.502) 3.771 6.033 ( -0.848 0.676 -2.783) 2.987 11.779 ( -2.262 -0.879 -0.300) 2.445 11.950 ( 1.243 -2.557 4.157) 5.036 12.087 ( 0.892 -8.162 5.663) 9.974 12.153 ( -1.090 4.486 4.024) 6.124 13.209 ( -0.993 4.320 -6.535) 7.897 13.384 ( 5.042 1.787 -7.999) 9.623 14.186 ( -6.959 -4.745 -4.814) 9.701 14.653 ( 6.986 11.213 -6.692) 14.809 15.212 ( -10.634 -4.584 9.619) 15.053 15.321 ( 5.403 -1.987 0.088) 5.757 16.779 ( 1.649 -1.615 -3.434) 4.137 17.103 ( 0.913 0.361 -2.811) 2.978 ======================= Grid point 79 (39/89) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -7.931 12.293 12.420) 19.191 1.298 ( -10.340 11.653 13.292) 20.479 1.741 ( 5.111 -10.348 1.179) 11.602 1.883 ( 7.401 -3.199 -1.408) 8.185 2.123 ( 3.234 2.519 0.022) 4.100 2.209 ( -7.714 10.788 7.947) 15.461 2.275 ( -4.273 -1.092 -1.947) 4.821 2.398 ( 5.258 -0.661 -3.361) 6.276 2.515 ( 0.901 0.274 0.323) 0.996 2.582 ( 0.167 1.343 10.512) 10.599 2.665 ( -0.142 0.800 5.613) 5.671 2.752 ( -2.941 -1.921 0.695) 3.580 2.830 ( -4.956 -1.587 -2.434) 5.745 2.895 ( 1.113 2.830 0.742) 3.130 2.951 ( 1.304 2.221 7.480) 7.911 2.986 ( -2.111 -5.547 -1.695) 6.172 3.059 ( -2.397 2.761 1.302) 3.882 3.183 ( 0.875 4.733 3.104) 5.727 3.331 ( 1.533 1.636 5.272) 5.730 3.433 ( 2.201 1.046 1.234) 2.731 3.631 ( 1.681 -4.873 1.285) 5.313 3.729 ( 1.804 -1.363 -5.192) 5.663 3.826 ( 0.843 0.983 -1.777) 2.199 3.919 ( 0.641 1.655 -2.118) 2.763 3.990 ( 1.388 -2.662 2.095) 3.661 4.136 ( 0.834 -2.361 -0.308) 2.523 4.155 ( -3.372 1.745 1.096) 3.951 4.282 ( -0.327 -0.384 -2.123) 2.183 4.389 ( -0.312 -0.451 -0.322) 0.636 4.430 ( -0.802 -0.597 -1.683) 1.958 4.455 ( 0.145 1.388 2.832) 3.157 4.524 ( -0.277 7.576 0.665) 7.611 4.566 ( -1.337 -2.243 -2.300) 3.480 4.624 ( 2.557 -2.577 -9.378) 10.056 4.653 ( -1.346 0.294 -0.481) 1.459 4.787 ( 0.391 1.596 -3.675) 4.025 5.189 ( 0.031 -4.693 8.316) 9.549 5.390 ( -4.169 1.130 5.478) 6.976 5.430 ( 3.644 -3.863 -3.429) 6.321 5.810 ( 1.948 -1.948 -2.940) 4.029 5.947 ( 0.190 -1.874 0.712) 2.014 5.998 ( -1.717 1.526 -1.714) 2.866 11.792 ( -0.053 -1.973 0.577) 2.056 11.908 ( -2.616 3.641 3.514) 5.697 12.108 ( -1.869 -1.822 1.286) 2.910 12.281 ( 4.077 -5.836 7.828) 10.581 12.981 ( 3.088 11.427 -8.360) 14.491 13.682 ( 7.486 -16.862 -0.955) 18.474 14.179 ( -5.410 -4.395 -5.801) 9.069 14.507 ( -0.477 10.447 -5.782) 11.949 15.032 ( -2.713 13.178 9.210) 16.304 15.477 ( 1.483 -8.667 -2.780) 9.222 16.782 ( 0.182 4.115 -4.333) 5.978 17.045 ( -2.526 4.413 -3.978) 6.456 ======================= Grid point 80 (40/89) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.440 8.720 19.344) 21.496 1.001 ( -8.577 8.408 18.642) 22.177 1.753 ( -14.793 13.940 22.510) 30.329 1.929 ( 2.130 -6.522 -2.986) 7.482 2.059 ( 4.994 -1.199 1.441) 5.334 2.139 ( 6.454 2.308 -3.373) 7.639 2.210 ( -5.721 2.471 -5.559) 8.351 2.452 ( 6.617 2.689 -6.816) 9.873 2.515 ( -3.571 -4.374 0.711) 5.691 2.607 ( -0.047 0.266 6.603) 6.608 2.647 ( -7.549 0.002 0.222) 7.552 2.721 ( -2.662 -3.020 3.073) 5.065 2.795 ( -0.028 2.958 0.899) 3.091 2.845 ( 0.382 2.222 0.325) 2.277 2.979 ( -0.934 -1.092 3.255) 3.558 3.009 ( 1.441 -0.940 3.882) 4.246 3.090 ( 2.128 -6.462 0.361) 6.813 3.126 ( 3.776 3.843 7.000) 8.833 3.344 ( 4.130 2.781 5.213) 7.208 3.442 ( -2.308 -1.780 -1.350) 3.212 3.661 ( 0.284 -1.872 -1.793) 2.607 3.760 ( 1.650 1.448 -5.463) 5.888 3.874 ( 1.092 -0.059 -7.067) 7.151 3.917 ( 2.309 2.313 0.678) 3.338 4.016 ( 0.569 -1.689 -2.260) 2.878 4.147 ( -0.093 -4.607 5.553) 7.216 4.188 ( -0.364 -3.484 0.676) 3.567 4.284 ( -0.245 -0.082 1.064) 1.095 4.324 ( -0.762 5.213 -1.120) 5.386 4.402 ( -0.138 3.319 0.345) 3.340 4.454 ( 3.577 2.382 0.844) 4.380 4.492 ( 0.596 -3.487 -2.002) 4.065 4.535 ( -5.472 2.267 -3.465) 6.862 4.631 ( 1.777 1.405 -2.052) 3.057 4.705 ( -0.937 -3.650 -4.756) 6.068 4.764 ( 4.119 3.459 -8.279) 9.873 5.236 ( -5.107 -3.139 12.098) 13.502 5.330 ( -3.603 -0.056 3.068) 4.733 5.514 ( 1.758 -1.955 -2.510) 3.635 5.850 ( -1.101 -2.420 1.286) 2.953 5.930 ( -1.973 2.209 0.397) 2.989 6.005 ( 2.487 -1.437 -0.859) 2.998 11.818 ( -1.016 -1.299 1.697) 2.366 11.853 ( -0.895 -0.852 2.978) 3.224 12.107 ( -3.747 -1.780 -0.969) 4.260 12.266 ( -0.399 9.122 -3.633) 9.827 13.105 ( 12.610 -13.045 7.746) 19.728 14.025 ( 5.752 -12.595 -0.935) 13.878 14.196 ( -0.937 -2.358 -6.210) 6.708 14.335 ( -2.697 6.418 -6.398) 9.455 14.734 ( 1.982 20.930 10.230) 23.381 15.616 ( -7.218 -10.161 -8.558) 15.119 16.582 ( -3.917 15.042 -0.569) 15.554 16.972 ( -1.104 0.690 -5.438) 5.592 ======================= Grid point 82 (41/89) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 11.578 0.000 18.184) 21.557 1.092 ( 5.076 0.000 21.214) 21.813 1.769 ( 23.797 0.000 17.792) 29.713 1.954 ( -2.777 -0.000 0.377) 2.802 1.981 ( -4.337 -0.000 -6.298) 7.647 2.105 ( -3.469 -0.000 -2.745) 4.424 2.194 ( 2.437 0.000 -0.767) 2.555 2.331 ( -3.318 -0.000 -2.025) 3.888 2.499 ( -1.828 -0.000 -1.593) 2.425 2.518 ( 1.324 0.000 1.128) 1.740 2.627 ( -2.154 -0.000 5.644) 6.041 2.719 ( -0.369 -0.000 4.335) 4.351 2.761 ( 0.561 0.000 3.745) 3.787 2.855 ( -1.706 -0.000 -1.353) 2.178 2.867 ( -0.063 -0.000 1.558) 1.559 2.937 ( -3.720 -0.000 5.148) 6.351 3.124 ( 0.145 0.000 1.143) 1.152 3.124 ( -9.767 -0.000 11.801) 15.318 3.362 ( 1.113 0.000 -10.622) 10.681 3.593 ( 8.006 0.000 1.527) 8.150 3.768 ( 2.322 0.000 -1.021) 2.537 3.802 ( -0.465 -0.000 -7.322) 7.337 3.822 ( -0.326 -0.000 -2.666) 2.686 3.906 ( 2.390 0.000 -3.880) 4.557 4.020 ( -2.635 -0.000 -3.570) 4.437 4.207 ( 0.161 0.000 -6.667) 6.669 4.222 ( -0.823 -0.000 2.022) 2.183 4.232 ( 1.412 0.000 3.985) 4.227 4.247 ( -3.618 -0.000 6.030) 7.032 4.342 ( 0.942 0.000 3.469) 3.594 4.505 ( 1.243 0.000 -1.796) 2.184 4.513 ( -2.527 -0.000 -0.608) 2.599 4.629 ( 1.241 0.000 1.144) 1.688 4.709 ( 2.186 0.000 -2.837) 3.581 4.852 ( -2.541 -0.000 -1.158) 2.793 4.862 ( -0.107 -0.000 2.260) 2.262 4.949 ( 0.375 0.000 0.379) 0.533 5.246 ( 1.296 0.000 -7.323) 7.437 5.585 ( 4.681 0.000 -2.873) 5.493 5.815 ( -2.856 -0.000 5.802) 6.467 5.827 ( -3.005 -0.000 3.719) 4.781 6.074 ( -0.103 -0.000 -1.923) 1.926 11.703 ( -2.805 -0.000 0.961) 2.965 11.901 ( 0.436 0.000 1.665) 1.721 11.940 ( -6.066 -0.000 -1.924) 6.364 12.120 ( 2.461 0.000 -1.263) 2.766 13.207 ( -10.286 -0.000 17.078) 19.937 13.968 ( -6.781 -0.000 -7.527) 10.131 14.270 ( 0.296 0.000 -8.869) 8.874 14.581 ( -0.809 -0.000 13.501) 13.525 14.904 ( -5.263 -0.000 4.518) 6.936 15.165 ( 17.165 0.000 -22.431) 28.245 16.587 ( 7.923 0.000 6.621) 10.325 17.002 ( 2.111 0.000 -5.706) 6.084 ======================= Grid point 83 (42/89) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 11.210 -3.895 13.233) 17.775 1.319 ( 9.363 -10.826 13.622) 19.759 1.812 ( -2.839 9.655 2.843) 10.457 1.972 ( 1.491 2.715 -2.064) 3.723 2.005 ( -4.369 0.931 1.138) 4.610 2.107 ( 12.448 -5.428 11.944) 18.085 2.287 ( 0.003 -5.729 -3.230) 6.577 2.328 ( 0.524 -0.801 0.070) 0.960 2.438 ( -1.965 1.643 -0.528) 2.615 2.508 ( 2.136 1.910 2.816) 4.017 2.608 ( 2.713 -1.118 5.416) 6.160 2.745 ( -3.412 -0.751 3.397) 4.873 2.776 ( 1.391 -1.069 -0.303) 1.780 2.854 ( 1.732 -0.597 -0.256) 1.850 2.902 ( 1.967 -3.578 3.093) 5.122 2.925 ( -2.345 -3.069 5.425) 6.659 3.021 ( -7.509 -1.045 8.666) 11.514 3.179 ( 2.890 -3.538 -0.856) 4.648 3.380 ( 1.523 -1.391 -8.871) 9.108 3.613 ( 2.586 5.091 -3.603) 6.752 3.677 ( 2.469 9.165 2.790) 9.893 3.829 ( -2.611 -0.665 -3.894) 4.735 3.873 ( 1.215 -2.162 -1.720) 3.018 3.949 ( 0.565 -2.706 -3.399) 4.382 4.004 ( -1.242 -1.276 -3.209) 3.670 4.102 ( -4.355 6.507 5.612) 9.633 4.188 ( -0.557 0.894 2.239) 2.474 4.238 ( -0.441 -2.626 -7.230) 7.705 4.317 ( -2.742 -5.056 3.333) 6.648 4.370 ( 0.554 -0.723 3.232) 3.358 4.450 ( -1.105 1.001 1.978) 2.477 4.513 ( 0.802 0.571 -1.938) 2.174 4.646 ( 0.095 0.187 1.473) 1.488 4.721 ( -0.193 3.847 1.124) 4.013 4.760 ( -0.802 1.131 -0.512) 1.478 4.853 ( 0.971 1.846 1.794) 2.751 4.978 ( -3.886 -3.803 -0.926) 5.516 5.275 ( 3.788 0.221 -10.541) 11.203 5.606 ( 0.873 4.072 0.773) 4.236 5.778 ( 0.225 0.814 0.405) 0.936 5.820 ( -2.210 -3.316 2.981) 4.977 6.059 ( -0.798 0.779 -1.953) 2.249 11.716 ( 0.125 -3.998 2.156) 4.544 11.828 ( -2.100 2.270 -0.109) 3.095 11.966 ( -0.659 -3.717 1.255) 3.978 12.186 ( 0.968 -3.063 -1.271) 3.455 13.074 ( -4.533 1.425 16.773) 17.433 13.828 ( -6.428 8.007 -11.110) 15.128 14.181 ( -0.236 6.611 -4.787) 8.165 14.671 ( -2.293 -11.961 11.623) 16.835 14.971 ( -6.619 -17.068 3.305) 18.602 15.284 ( 13.332 13.519 -22.247) 29.248 16.719 ( 7.361 -2.971 3.266) 8.584 17.040 ( 1.952 -1.541 -3.524) 4.313 ======================= Grid point 84 (43/89) ======================= q-point: ( 0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 8.421 -5.863 8.142) 13.099 1.465 ( -0.246 5.690 5.885) 8.190 1.677 ( 3.033 6.227 9.497) 11.754 1.824 ( 0.815 4.726 4.153) 6.344 2.036 ( -0.198 -3.934 -0.223) 3.945 2.250 ( -0.821 -2.930 3.231) 4.438 2.351 ( -0.787 -1.794 -4.171) 4.608 2.359 ( 2.414 -1.942 5.854) 6.624 2.425 ( 2.956 -0.308 0.637) 3.039 2.593 ( -2.182 -7.717 0.469) 8.033 2.656 ( 4.502 2.017 4.861) 6.926 2.692 ( -3.846 0.832 -0.684) 3.994 2.818 ( -0.297 -1.698 -0.896) 1.943 2.861 ( 0.223 1.548 3.682) 4.000 2.940 ( -0.952 -0.926 3.919) 4.138 2.971 ( 1.238 -3.005 -0.664) 3.317 3.068 ( 2.624 -4.844 6.828) 8.773 3.259 ( 0.154 -2.566 0.775) 2.685 3.438 ( -1.056 1.640 -0.296) 1.973 3.527 ( 5.474 5.749 0.301) 7.944 3.582 ( 4.437 4.753 -2.548) 6.983 3.765 ( -1.913 2.456 -3.031) 4.345 3.869 ( -2.824 2.749 6.065) 7.232 3.932 ( -2.206 3.019 -0.303) 3.751 4.002 ( -1.938 -0.586 -1.723) 2.658 4.032 ( 0.157 -2.767 -2.970) 4.062 4.169 ( -4.868 -2.392 2.624) 6.025 4.271 ( -0.982 -1.803 -5.617) 5.980 4.321 ( -0.062 -1.068 0.511) 1.186 4.394 ( -0.781 -1.196 3.432) 3.717 4.467 ( 1.308 -0.968 -1.144) 1.989 4.497 ( -1.316 1.079 -2.246) 2.818 4.628 ( 1.255 1.111 0.759) 1.840 4.680 ( 1.800 0.743 0.583) 2.032 4.738 ( -0.112 3.235 1.074) 3.411 4.831 ( 1.004 2.207 -2.121) 3.222 5.003 ( -3.331 -5.737 3.207) 7.368 5.333 ( 4.272 -1.063 -10.261) 11.165 5.490 ( -5.095 5.118 6.318) 9.595 5.771 ( -1.217 -0.798 1.368) 1.997 5.880 ( 2.887 -2.040 -3.066) 4.679 6.034 ( -1.011 0.744 -1.684) 2.100 11.766 ( 0.746 0.028 0.311) 0.809 11.866 ( 1.570 -7.223 4.796) 8.811 12.008 ( -1.263 -2.629 1.625) 3.338 12.202 ( 0.299 1.929 1.887) 2.714 13.107 ( -0.646 -9.235 7.487) 11.906 13.555 ( -5.354 13.565 -15.221) 21.080 14.123 ( 1.554 1.928 -0.924) 2.643 14.864 ( -0.642 -12.063 8.370) 14.696 15.043 ( -6.938 9.596 -10.784) 16.016 15.246 ( 6.636 -5.907 -1.447) 9.001 16.835 ( 6.400 0.139 -1.822) 6.656 17.085 ( -0.836 -1.965 -1.450) 2.581 ======================= Grid point 85 (44/89) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 1.089 14.053 13.204) 19.314 1.416 ( -5.643 13.583 12.502) 19.303 1.680 ( 8.272 -6.520 0.685) 10.555 1.942 ( 6.925 -2.768 -0.307) 7.464 2.088 ( -3.239 -4.750 0.411) 5.764 2.240 ( -2.256 2.314 3.442) 4.722 2.324 ( 1.389 5.659 -3.658) 6.879 2.403 ( -1.085 -0.767 4.512) 4.703 2.515 ( -0.744 -7.285 7.032) 10.153 2.583 ( -5.783 0.702 -1.625) 6.048 2.627 ( 1.402 2.525 -3.034) 4.189 2.744 ( 0.895 -5.212 3.276) 6.220 2.760 ( -0.948 5.130 4.668) 7.000 2.844 ( -1.670 -1.994 3.398) 4.280 2.963 ( 1.854 1.897 0.012) 2.653 3.029 ( -1.768 1.492 6.552) 6.949 3.074 ( 0.736 1.039 -3.256) 3.496 3.213 ( -1.225 2.591 3.051) 4.186 3.378 ( -1.923 1.151 2.977) 3.726 3.544 ( 2.398 2.592 5.325) 6.390 3.618 ( 5.775 2.654 -4.174) 7.604 3.747 ( 2.568 -0.255 -3.439) 4.299 3.865 ( -1.551 1.567 -3.505) 4.141 3.875 ( 3.427 -5.766 3.920) 7.769 3.987 ( -0.471 -0.111 0.604) 0.774 4.086 ( -0.392 -2.708 -2.176) 3.496 4.151 ( -3.298 -1.321 2.818) 4.534 4.237 ( -5.112 0.184 -1.850) 5.439 4.361 ( 1.081 -2.316 -0.245) 2.567 4.393 ( 0.897 0.100 0.113) 0.910 4.479 ( -1.055 -0.967 -4.711) 4.924 4.508 ( 1.647 -0.515 3.000) 3.461 4.614 ( -3.530 5.340 2.163) 6.757 4.653 ( 2.618 0.200 -7.476) 7.924 4.711 ( 2.571 2.521 0.649) 3.659 4.836 ( 4.707 0.673 -4.926) 6.846 5.071 ( -3.095 -6.303 4.154) 8.159 5.343 ( -6.716 2.010 7.749) 10.449 5.416 ( 3.241 -2.251 -5.882) 7.083 5.774 ( -2.347 -2.142 2.940) 4.329 5.942 ( 2.880 -0.896 -4.149) 5.130 6.007 ( -0.652 1.214 -0.865) 1.628 11.791 ( 2.824 -0.331 1.183) 3.080 11.943 ( -0.615 2.083 4.888) 5.348 12.024 ( -3.541 -2.925 0.950) 4.690 12.221 ( 2.771 -5.027 6.445) 8.631 13.188 ( -0.243 9.708 -9.359) 13.487 13.433 ( -2.653 -15.970 -7.883) 18.006 14.145 ( 5.257 0.441 0.203) 5.279 14.717 ( -5.092 16.686 -8.317) 19.327 15.022 ( 0.023 -5.600 9.666) 11.171 15.425 ( 2.405 -6.564 -2.678) 7.486 16.874 ( 4.455 4.091 -2.394) 6.505 17.052 ( -4.731 1.552 -2.764) 5.695 ======================= Grid point 86 (45/89) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.504 11.015 16.883) 20.460 1.151 ( 4.244 13.930 16.153) 21.748 1.817 ( -5.024 -1.004 2.123) 5.545 1.948 ( 3.574 9.579 6.739) 12.245 2.090 ( -0.609 -0.124 5.028) 5.066 2.161 ( -1.582 -0.373 -3.652) 3.997 2.244 ( 0.064 4.206 -4.488) 6.151 2.375 ( -4.815 -2.628 -0.098) 5.487 2.494 ( -5.477 -3.071 1.411) 6.436 2.588 ( -0.409 0.326 3.459) 3.499 2.612 ( -1.980 5.557 1.929) 6.207 2.705 ( 6.325 -0.633 1.474) 6.525 2.833 ( 0.209 -3.431 2.850) 4.465 2.875 ( -1.788 3.311 1.527) 4.061 2.944 ( -1.025 -2.842 -3.388) 4.539 2.975 ( -1.409 1.321 1.075) 2.211 3.031 ( 2.954 -0.158 6.590) 7.224 3.234 ( 0.740 1.346 1.937) 2.472 3.351 ( 0.716 -2.921 4.459) 5.379 3.496 ( 0.719 5.359 5.255) 7.540 3.623 ( -1.185 -0.281 -0.151) 1.227 3.804 ( 3.089 0.744 -5.060) 5.975 3.872 ( 1.274 -2.621 -8.182) 8.686 3.986 ( 2.326 -0.734 0.439) 2.478 4.004 ( -1.968 0.224 -3.136) 3.710 4.075 ( -1.271 -2.435 3.102) 4.143 4.137 ( -0.811 -1.292 0.353) 1.566 4.251 ( 2.001 -3.442 1.459) 4.240 4.381 ( -0.024 1.755 -0.203) 1.767 4.418 ( -0.117 -0.985 0.138) 1.002 4.457 ( -2.138 0.400 -1.510) 2.648 4.472 ( -0.128 5.877 -0.530) 5.902 4.566 ( 1.648 -4.610 1.883) 5.245 4.675 ( 0.399 0.418 -4.483) 4.520 4.701 ( 3.807 2.969 -4.709) 6.744 4.900 ( 7.506 2.428 -9.220) 12.134 5.088 ( -7.814 -3.163 9.766) 12.901 5.266 ( -4.490 -1.583 4.429) 6.502 5.489 ( 1.416 -2.536 -2.299) 3.704 5.784 ( -2.215 -2.859 4.150) 5.505 5.946 ( -1.201 1.901 0.421) 2.288 6.013 ( 2.339 -0.977 -2.836) 3.803 11.821 ( 0.148 2.323 2.872) 3.697 11.866 ( 1.170 2.399 3.862) 4.695 12.010 ( -4.763 -2.199 -0.922) 5.326 12.333 ( -1.096 -1.510 2.493) 3.114 13.064 ( 2.382 0.565 -5.001) 5.568 13.750 ( -2.526 -21.689 -8.271) 23.350 14.269 ( 12.229 -2.834 -2.585) 12.816 14.408 ( -5.671 11.052 -5.319) 13.513 15.004 ( 1.093 9.610 9.974) 13.893 15.508 ( -0.934 -1.152 -4.972) 5.189 16.747 ( -4.328 11.418 1.209) 12.271 16.986 ( 0.505 1.529 -5.839) 6.057 ======================= Grid point 89 (46/89) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 10.866 0.000 12.073) 16.242 1.353 ( 14.100 0.000 12.897) 19.109 1.877 ( -3.064 -0.000 8.429) 8.968 1.931 ( -0.453 -0.000 -0.549) 0.712 1.999 ( -5.064 -0.000 1.324) 5.234 2.234 ( 2.290 0.000 7.242) 7.596 2.255 ( 3.663 0.000 -4.738) 5.989 2.286 ( 0.053 0.000 -0.387) 0.390 2.419 ( -2.255 -0.000 0.816) 2.399 2.615 ( 6.762 0.000 0.084) 6.763 2.645 ( 6.085 0.000 6.151) 8.653 2.716 ( -2.349 -0.000 2.993) 3.804 2.776 ( -0.302 -0.000 2.398) 2.417 2.841 ( 3.198 0.000 10.904) 11.363 2.876 ( -0.133 -0.000 0.565) 0.580 2.934 ( 1.095 0.000 3.515) 3.682 2.934 ( 0.857 0.000 4.692) 4.769 3.178 ( 1.652 0.000 -1.453) 2.200 3.388 ( 1.270 0.000 -11.885) 11.952 3.674 ( -1.164 -0.000 -9.733) 9.802 3.754 ( -5.158 -0.000 -3.691) 6.343 3.817 ( 1.931 0.000 1.277) 2.315 3.859 ( 3.833 0.000 0.636) 3.886 3.935 ( -0.392 -0.000 -3.179) 3.203 3.971 ( -1.349 -0.000 -1.134) 1.762 4.099 ( -5.350 -0.000 10.217) 11.533 4.141 ( -6.822 -0.000 0.729) 6.860 4.200 ( -1.012 -0.000 -5.269) 5.365 4.276 ( 1.233 0.000 2.310) 2.618 4.374 ( 1.529 0.000 3.954) 4.239 4.454 ( 1.130 0.000 4.352) 4.497 4.521 ( 0.175 0.000 -2.329) 2.335 4.642 ( -2.915 -0.000 0.485) 2.955 4.750 ( -1.546 -0.000 1.896) 2.447 4.755 ( 1.401 0.000 -1.672) 2.181 4.846 ( -5.687 -0.000 -3.466) 6.660 4.948 ( 4.741 0.000 1.836) 5.084 5.321 ( 3.430 0.000 -10.155) 10.719 5.628 ( -5.469 -0.000 6.756) 8.692 5.738 ( -3.439 -0.000 3.334) 4.790 5.832 ( 6.633 0.000 -8.260) 10.594 6.050 ( -1.465 -0.000 -1.449) 2.061 11.695 ( 2.032 0.000 1.782) 2.703 11.839 ( -1.307 -0.000 0.333) 1.348 11.907 ( 0.393 0.000 -0.202) 0.441 12.189 ( 2.012 0.000 0.542) 2.084 13.020 ( -5.380 -0.000 22.184) 22.827 13.827 ( -3.483 -0.000 -7.616) 8.374 14.276 ( 0.331 0.000 -7.430) 7.438 14.546 ( -1.665 -0.000 10.903) 11.029 14.667 ( -8.028 -0.000 0.296) 8.033 15.599 ( 12.162 0.000 -26.954) 29.571 16.763 ( 4.607 0.000 6.632) 8.075 17.054 ( 1.725 0.000 -2.858) 3.339 ======================= Grid point 90 (47/89) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 10.236 -1.584 6.449) 12.201 1.564 ( 7.343 -0.394 9.303) 11.859 1.792 ( 0.926 1.522 12.286) 12.415 1.870 ( -4.781 4.423 6.549) 9.237 1.970 ( -2.384 -2.113 -1.348) 3.459 2.169 ( -6.045 -0.813 4.243) 7.430 2.317 ( 1.742 -3.369 -7.617) 8.509 2.342 ( 0.894 -1.214 2.409) 2.842 2.446 ( 4.477 -2.646 2.838) 5.925 2.580 ( -0.652 6.511 5.190) 8.351 2.676 ( -0.779 1.777 1.034) 2.199 2.723 ( 3.557 -0.950 2.770) 4.607 2.786 ( -2.422 -0.890 2.241) 3.418 2.881 ( 1.678 -2.299 3.686) 4.657 2.933 ( 1.660 0.840 1.660) 2.494 2.957 ( 2.841 -1.461 0.910) 3.321 3.036 ( 5.979 -4.254 6.264) 9.648 3.205 ( -1.945 -2.301 -0.455) 3.047 3.433 ( 2.671 -2.401 -8.576) 9.297 3.625 ( -1.410 3.453 -8.687) 9.454 3.692 ( -1.295 -0.104 -1.895) 2.298 3.778 ( -0.691 3.754 1.805) 4.223 3.895 ( -3.661 2.301 4.638) 6.341 3.919 ( 1.096 -0.629 1.051) 1.644 3.974 ( -1.041 -2.370 -1.793) 3.149 4.023 ( 0.452 4.619 1.290) 4.817 4.060 ( -4.115 -1.311 3.371) 5.479 4.210 ( -2.087 -2.422 -5.627) 6.472 4.306 ( 0.818 -1.659 1.916) 2.663 4.387 ( -0.145 -0.081 5.458) 5.461 4.473 ( 1.966 -0.755 0.259) 2.122 4.522 ( -0.587 2.138 -3.856) 4.448 4.621 ( -0.182 -3.756 2.488) 4.509 4.711 ( -1.094 2.759 -0.483) 3.007 4.767 ( 0.563 0.452 -1.592) 1.748 4.790 ( -5.285 -1.924 -0.429) 5.641 5.008 ( 6.969 2.081 -0.164) 7.275 5.361 ( 2.144 -0.362 -7.581) 7.887 5.501 ( -6.568 4.239 6.967) 10.471 5.714 ( -2.633 -1.253 3.020) 4.198 5.923 ( 5.716 -0.462 -8.768) 10.477 6.028 ( -1.328 0.266 -1.072) 1.728 11.765 ( 3.455 -3.362 2.447) 5.406 11.832 ( 2.375 0.030 2.600) 3.522 11.946 ( -0.782 -2.773 -0.460) 2.918 12.220 ( 1.007 -1.138 0.254) 1.541 12.965 ( -4.804 -2.225 16.779) 17.595 13.707 ( -2.056 10.842 -8.815) 14.124 14.220 ( 3.172 3.993 -2.897) 5.865 14.592 ( -3.998 -10.496 8.492) 14.081 14.785 ( -6.144 -17.180 -4.572) 18.809 15.575 ( 8.693 16.089 -19.553) 26.772 16.857 ( 2.316 -5.212 2.928) 6.411 17.063 ( -0.098 0.812 -1.124) 1.390 ======================= Grid point 91 (48/89) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.717 11.571 9.765) 15.237 1.529 ( -0.606 3.242 5.640) 6.533 1.755 ( 2.627 5.505 8.819) 10.723 1.926 ( 2.485 -5.444 1.764) 6.239 1.980 ( -0.588 -4.284 -0.893) 4.416 2.144 ( -11.044 -8.353 7.492) 15.744 2.325 ( -1.053 2.617 -0.083) 2.822 2.412 ( 3.458 -2.024 -3.938) 5.618 2.467 ( -0.730 3.541 5.280) 6.400 2.578 ( 5.773 -0.520 1.302) 5.941 2.643 ( 0.490 -1.236 0.587) 1.453 2.750 ( -1.936 -1.852 5.340) 5.975 2.794 ( 2.997 1.686 0.463) 3.470 2.865 ( -0.209 2.092 3.345) 3.951 2.970 ( -0.535 -2.748 -0.378) 2.824 3.008 ( 1.564 0.730 1.427) 2.240 3.085 ( -0.141 1.646 -0.123) 1.656 3.242 ( -2.337 -6.027 2.863) 7.070 3.355 ( -3.000 9.236 0.204) 9.713 3.628 ( -1.384 5.609 -1.020) 5.867 3.692 ( 2.583 -5.417 -1.893) 6.293 3.743 ( -5.946 -3.555 4.690) 8.365 3.815 ( 3.150 3.397 -1.441) 4.852 3.922 ( 0.738 1.274 1.858) 2.371 3.978 ( 1.355 1.952 -1.835) 3.002 4.022 ( -0.489 -4.072 -2.154) 4.632 4.102 ( 4.276 -2.741 2.769) 5.785 4.179 ( -4.409 0.482 -2.938) 5.320 4.345 ( 0.997 -1.609 0.454) 1.947 4.400 ( -0.379 -2.368 2.179) 3.240 4.475 ( 0.969 2.652 -3.726) 4.675 4.534 ( 2.494 -1.630 -0.179) 2.985 4.637 ( -3.767 3.008 0.421) 4.839 4.686 ( 2.109 -0.005 -2.935) 3.614 4.754 ( -0.506 0.872 -0.463) 1.109 4.791 ( -2.885 -6.133 1.628) 6.970 5.065 ( 7.830 2.311 -3.473) 8.872 5.299 ( -7.199 3.803 8.645) 11.875 5.437 ( 2.355 -0.376 -5.204) 5.725 5.707 ( -2.078 -1.396 2.799) 3.755 5.972 ( 1.754 0.464 -4.724) 5.060 6.017 ( 0.646 0.162 -2.263) 2.359 11.837 ( 3.871 -0.016 1.793) 4.266 11.930 ( 3.440 -4.925 6.450) 8.814 11.949 ( -2.874 -0.927 -0.133) 3.023 12.229 ( 1.044 2.015 2.963) 3.732 13.036 ( -4.399 -14.857 2.775) 15.741 13.453 ( -1.106 15.487 -10.751) 18.886 14.250 ( 6.556 1.290 2.490) 7.131 14.688 ( -9.664 -5.790 -0.404) 11.273 14.973 ( 0.901 -10.966 -5.188) 12.165 15.426 ( 5.329 8.786 -5.393) 11.605 16.963 ( -0.282 -4.648 -1.757) 4.977 17.007 ( -1.361 4.583 0.070) 4.782 ======================= Grid point 92 (49/89) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.746 12.316 10.203) 16.227 1.446 ( 6.998 8.892 9.659) 14.877 1.680 ( -9.123 -2.349 3.898) 10.195 1.966 ( -9.832 -3.221 0.096) 10.347 2.074 ( 4.328 -2.916 -0.957) 5.306 2.164 ( -1.712 -4.288 4.730) 6.610 2.267 ( -0.328 0.356 -2.403) 2.451 2.345 ( -2.030 8.004 6.123) 10.280 2.478 ( 3.505 0.705 -0.734) 3.650 2.616 ( 3.864 3.324 3.632) 6.259 2.706 ( -2.417 2.775 4.747) 6.007 2.757 ( -1.478 -2.150 0.775) 2.722 2.798 ( 4.661 1.213 -1.317) 4.993 2.849 ( 2.892 -1.683 3.420) 4.785 2.936 ( -2.610 3.798 -1.682) 4.906 2.987 ( 0.785 0.323 4.470) 4.550 3.147 ( -1.259 -6.398 1.454) 6.681 3.158 ( 2.218 7.871 1.613) 8.335 3.354 ( 0.908 -5.587 -1.084) 5.763 3.478 ( -4.179 4.645 5.743) 8.487 3.651 ( -9.079 1.628 6.281) 11.159 3.804 ( -0.061 -3.702 -5.898) 6.964 3.867 ( 4.482 -0.879 -3.518) 5.765 3.931 ( 0.373 -1.930 1.095) 2.250 3.977 ( 0.409 -1.067 1.147) 1.619 4.078 ( -1.707 2.854 -2.412) 4.108 4.093 ( 0.653 -3.702 -2.573) 4.555 4.251 ( 5.956 -2.522 1.435) 6.625 4.380 ( -1.089 -1.775 -0.908) 2.272 4.443 ( 0.138 1.195 -3.140) 3.362 4.456 ( 2.747 -0.389 -1.127) 2.995 4.521 ( -1.960 1.559 2.167) 3.312 4.561 ( 0.445 3.027 -0.100) 3.062 4.690 ( 0.609 0.410 -1.851) 1.991 4.758 ( 1.537 0.182 -4.307) 4.577 4.846 ( -6.830 -5.906 4.440) 10.062 5.118 ( 7.043 4.428 -3.641) 9.081 5.183 ( -3.919 -0.849 5.722) 6.987 5.484 ( 2.063 -1.361 -2.508) 3.521 5.712 ( -1.279 -2.175 2.342) 3.443 5.959 ( -1.044 1.409 0.626) 1.862 6.030 ( 1.315 0.008 -3.874) 4.091 11.869 ( 0.220 0.583 1.882) 1.982 11.900 ( -2.002 1.774 1.534) 3.084 12.000 ( 3.398 3.518 5.264) 7.185 12.234 ( -2.210 -4.771 4.589) 6.979 13.209 ( 1.743 12.796 -7.695) 15.033 13.329 ( -2.551 -23.502 -8.383) 25.083 14.325 ( 2.742 -0.518 0.407) 2.820 14.528 ( -3.129 6.530 -7.874) 10.698 15.148 ( 6.959 1.044 3.398) 7.814 15.418 ( -3.796 -4.567 0.380) 5.951 16.839 ( -5.909 7.096 0.022) 9.235 17.034 ( 3.755 0.555 -3.675) 5.283 ======================= Grid point 96 (50/89) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 11.583 0.000 3.614) 12.134 1.619 ( 2.432 0.000 11.713) 11.963 1.749 ( -8.553 -0.000 9.104) 12.492 1.844 ( -1.847 -0.000 6.968) 7.209 1.912 ( -3.259 -0.000 -1.922) 3.783 2.074 ( -8.481 -0.000 6.101) 10.447 2.318 ( 3.459 0.000 -5.593) 6.576 2.383 ( 7.117 0.000 1.756) 7.330 2.496 ( 5.289 0.000 1.415) 5.475 2.616 ( -2.700 -0.000 3.110) 4.118 2.675 ( -6.668 -0.000 5.191) 8.451 2.722 ( -3.073 -0.000 8.092) 8.656 2.774 ( 4.907 0.000 0.058) 4.907 2.908 ( 4.092 0.000 2.380) 4.734 2.935 ( -0.389 -0.000 2.113) 2.148 2.960 ( 1.080 0.000 3.996) 4.139 3.082 ( 0.673 0.000 1.672) 1.802 3.162 ( -0.512 -0.000 0.148) 0.533 3.441 ( 1.527 0.000 -8.573) 8.708 3.609 ( -4.265 -0.000 -2.216) 4.806 3.639 ( -1.808 -0.000 -10.565) 10.718 3.818 ( -1.865 -0.000 -1.768) 2.570 3.842 ( -2.129 -0.000 5.146) 5.569 3.925 ( 0.469 0.000 -1.494) 1.566 3.973 ( 0.773 0.000 6.154) 6.202 4.028 ( 1.933 0.000 1.827) 2.660 4.146 ( 6.810 0.000 1.926) 7.077 4.150 ( -1.933 -0.000 -5.983) 6.287 4.286 ( -0.203 -0.000 1.510) 1.524 4.385 ( -1.770 -0.000 4.060) 4.429 4.467 ( -3.745 -0.000 4.490) 5.847 4.514 ( -0.477 -0.000 -1.533) 1.605 4.557 ( -1.256 -0.000 -4.047) 4.238 4.735 ( 0.873 0.000 -2.717) 2.854 4.743 ( -1.143 -0.000 0.803) 1.397 4.779 ( 0.860 0.000 -1.332) 1.586 5.126 ( 7.701 0.000 -1.497) 7.845 5.382 ( 1.291 0.000 -4.715) 4.889 5.439 ( -7.833 -0.000 10.983) 13.490 5.694 ( 0.659 0.000 -1.386) 1.535 5.987 ( 4.365 0.000 -9.708) 10.644 6.010 ( -1.441 -0.000 -0.432) 1.505 11.787 ( 4.360 0.000 2.709) 5.133 11.877 ( 4.136 0.000 3.655) 5.519 11.916 ( -0.086 -0.000 -1.383) 1.385 12.202 ( -0.828 -0.000 -1.088) 1.367 12.907 ( -3.954 -0.000 21.222) 21.587 13.820 ( 3.576 0.000 -3.671) 5.125 14.282 ( 0.118 0.000 -7.435) 7.436 14.492 ( -5.952 -0.000 -6.243) 8.626 14.510 ( -1.324 -0.000 8.266) 8.371 15.815 ( 6.106 0.000 -24.183) 24.942 16.790 ( -2.823 -0.000 6.355) 6.954 17.075 ( -0.259 -0.000 -0.788) 0.829 ======================= Grid point 97 (51/89) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -9.616 1.796 8.017) 12.648 1.617 ( -6.559 3.637 3.992) 8.497 1.807 ( -1.885 -3.364 9.858) 10.586 1.850 ( 3.039 -3.081 3.335) 5.463 1.923 ( 0.420 -0.866 -2.414) 2.599 1.966 ( 0.041 0.548 4.679) 4.711 2.395 ( 4.316 -1.449 -4.268) 6.241 2.438 ( 4.308 3.618 3.202) 6.473 2.528 ( -1.621 4.639 5.525) 7.394 2.574 ( -7.849 -0.878 1.894) 8.121 2.616 ( 5.252 -5.580 2.710) 8.128 2.701 ( -1.138 -1.644 6.688) 6.981 2.824 ( 3.338 0.039 1.905) 3.844 2.891 ( -1.110 2.513 1.908) 3.345 2.946 ( -0.784 -1.618 1.750) 2.509 3.051 ( -1.212 -0.921 1.053) 1.851 3.054 ( -1.494 -6.688 3.964) 7.917 3.135 ( -0.493 3.602 0.016) 3.635 3.430 ( -3.708 -0.215 -1.899) 4.171 3.567 ( -4.468 3.061 -3.599) 6.502 3.653 ( 0.752 -6.056 -3.687) 7.129 3.725 ( -1.094 6.498 0.855) 6.645 3.858 ( -0.619 -0.778 1.357) 1.683 3.943 ( 0.841 3.234 3.416) 4.779 3.950 ( -1.556 -2.374 -1.266) 3.109 4.074 ( 3.477 1.394 -0.155) 3.749 4.145 ( 3.405 -1.400 -5.247) 6.410 4.195 ( 5.581 3.668 -0.162) 6.680 4.320 ( 0.467 -2.945 0.745) 3.073 4.353 ( -1.192 -0.924 4.149) 4.415 4.476 ( -4.625 -5.185 1.362) 7.081 4.510 ( -0.132 -1.113 -1.300) 1.717 4.565 ( -1.105 -1.801 -4.718) 5.170 4.704 ( -1.389 1.727 0.868) 2.380 4.751 ( 1.981 1.213 -2.688) 3.552 4.785 ( 1.103 1.179 -0.987) 1.892 5.197 ( 4.762 1.721 -2.643) 5.712 5.305 ( -1.940 4.566 9.710) 10.904 5.427 ( -0.274 -2.395 0.348) 2.435 5.707 ( 2.338 1.125 -3.149) 4.080 5.987 ( -0.726 0.617 -0.597) 1.124 6.030 ( 1.369 -0.346 -6.774) 6.920 11.855 ( 2.349 -1.964 2.253) 3.801 11.914 ( -1.364 -0.105 -0.707) 1.539 11.948 ( 6.101 -0.598 6.088) 8.640 12.233 ( 0.277 -3.863 -1.682) 4.223 12.848 ( -3.775 -0.519 13.459) 13.988 13.736 ( 4.224 15.513 -3.871) 16.537 14.316 ( 3.560 -2.642 -1.253) 4.607 14.463 ( -5.881 -5.941 -1.134) 8.436 14.683 ( -1.798 -18.497 -2.292) 18.725 15.727 ( 3.541 15.617 -16.171) 22.758 16.814 ( -4.928 -7.484 1.890) 9.158 17.054 ( -0.621 1.250 -0.603) 1.521 ======================= Grid point 98 (52/89) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -13.624 -5.390 7.012) 16.243 1.499 ( -1.141 3.706 1.985) 4.356 1.708 ( -2.561 5.913 8.473) 10.645 1.783 ( -5.870 3.006 5.300) 8.461 2.030 ( 2.901 -4.050 2.326) 5.498 2.120 ( 8.514 -6.208 -4.623) 11.507 2.350 ( 0.254 6.410 -0.749) 6.458 2.416 ( -0.587 2.277 6.396) 6.815 2.512 ( -0.020 0.830 3.353) 3.454 2.565 ( -2.755 -7.253 -1.112) 7.838 2.714 ( -1.869 -4.789 8.949) 10.320 2.753 ( 3.912 3.487 0.206) 5.245 2.839 ( 0.425 0.869 0.295) 1.011 2.883 ( 2.199 -2.839 2.233) 4.228 2.952 ( -0.424 1.085 0.431) 1.242 3.039 ( -2.575 -2.405 -0.245) 3.532 3.061 ( 1.476 2.894 3.364) 4.677 3.193 ( -0.736 -8.600 2.809) 9.077 3.350 ( 2.483 8.966 0.962) 9.353 3.450 ( -10.468 -3.168 6.777) 12.866 3.588 ( -0.116 8.233 0.405) 8.244 3.740 ( -1.433 -2.825 -4.312) 5.350 3.867 ( -1.031 -2.461 1.349) 2.990 3.915 ( 0.044 -0.582 -0.518) 0.780 3.978 ( -0.917 -1.697 -0.542) 2.004 4.087 ( 3.770 2.381 -1.846) 4.826 4.139 ( 2.517 2.786 -3.012) 4.813 4.292 ( 3.214 -3.192 -1.501) 4.772 4.343 ( 0.692 1.000 0.830) 1.473 4.412 ( 1.978 -4.835 -1.230) 5.367 4.483 ( 0.669 -0.604 -0.391) 0.982 4.518 ( -4.723 -0.002 -0.067) 4.723 4.582 ( 0.495 -2.387 -1.756) 3.004 4.661 ( -2.756 0.958 -0.779) 3.020 4.739 ( -3.201 2.195 -0.658) 3.937 4.773 ( 1.601 -0.937 -2.470) 3.089 5.164 ( -0.780 2.414 7.985) 8.379 5.288 ( 7.214 4.264 -2.564) 8.764 5.460 ( -1.080 -2.368 2.564) 3.653 5.718 ( 3.213 1.396 -4.118) 5.407 5.966 ( -0.959 0.996 1.218) 1.843 6.037 ( -0.446 -0.121 -4.501) 4.524 11.844 ( -3.437 1.635 -0.628) 3.857 11.930 ( 1.442 -1.505 2.860) 3.539 12.053 ( 5.005 -2.760 7.523) 9.448 12.234 ( -0.472 5.697 3.999) 6.977 12.952 ( -1.136 -17.001 -4.496) 17.622 13.507 ( 5.088 17.291 -3.869) 18.435 14.342 ( -2.866 2.456 0.944) 3.891 14.496 ( -2.136 -5.149 -8.083) 9.819 15.034 ( 2.672 -20.566 0.262) 20.740 15.482 ( -0.569 14.258 -1.134) 14.314 16.829 ( -4.454 -0.434 -2.705) 5.229 17.060 ( 1.264 -1.978 -1.890) 3.013 ======================= Grid point 103 (53/89) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -21.712 -0.000 6.750) 22.737 1.425 ( -13.224 -0.000 10.146) 16.668 1.850 ( 2.128 0.000 4.544) 5.018 1.917 ( 9.495 0.000 -4.639) 10.568 1.944 ( 3.305 0.000 -0.820) 3.406 1.971 ( 0.574 0.000 5.650) 5.679 2.408 ( -1.205 -0.000 -1.792) 2.160 2.460 ( -7.593 -0.000 4.182) 8.669 2.552 ( 3.957 0.000 2.573) 4.720 2.554 ( -7.445 -0.000 11.404) 13.619 2.598 ( 1.832 0.000 1.585) 2.423 2.643 ( 4.211 0.000 1.042) 4.338 2.878 ( 0.904 0.000 3.847) 3.952 2.896 ( -0.773 -0.000 4.341) 4.409 2.906 ( -0.554 -0.000 8.516) 8.534 2.976 ( 1.601 0.000 4.921) 5.175 3.003 ( -1.841 -0.000 -0.274) 1.862 3.177 ( -3.011 -0.000 0.319) 3.028 3.375 ( -2.937 -0.000 -3.644) 4.680 3.556 ( -3.294 -0.000 -8.146) 8.787 3.603 ( 1.447 0.000 -4.911) 5.120 3.775 ( -1.740 -0.000 -2.149) 2.765 3.874 ( 3.182 0.000 4.888) 5.833 3.897 ( -2.383 -0.000 -1.725) 2.941 3.995 ( 0.361 0.000 4.667) 4.681 4.121 ( 3.192 0.000 2.665) 4.158 4.182 ( 4.657 0.000 -9.190) 10.303 4.280 ( -0.602 -0.000 2.020) 2.107 4.298 ( -2.985 -0.000 0.261) 2.996 4.316 ( -2.362 -0.000 2.076) 3.145 4.388 ( 6.015 0.000 0.735) 6.060 4.495 ( -1.592 -0.000 -1.951) 2.518 4.548 ( 0.240 0.000 -7.492) 7.496 4.691 ( -1.947 -0.000 1.771) 2.632 4.771 ( -0.517 -0.000 -2.514) 2.567 4.824 ( 0.627 0.000 -2.444) 2.523 5.237 ( 0.373 0.000 7.760) 7.769 5.377 ( 4.863 0.000 3.673) 6.094 5.392 ( -0.325 -0.000 0.101) 0.341 5.767 ( 4.403 0.000 -5.302) 6.892 5.982 ( -0.661 -0.000 1.118) 1.299 6.030 ( -0.934 -0.000 -6.819) 6.883 11.877 ( 2.149 0.000 2.556) 3.339 11.888 ( -1.885 -0.000 -0.763) 2.034 12.035 ( 7.204 0.000 5.956) 9.348 12.168 ( -1.430 -0.000 -4.524) 4.745 12.852 ( 0.324 0.000 19.657) 19.660 14.005 ( 9.961 0.000 3.279) 10.487 14.275 ( -0.421 -0.000 -9.445) 9.454 14.344 ( -5.721 -0.000 -6.557) 8.702 14.474 ( -1.823 -0.000 5.876) 6.152 15.923 ( 2.654 0.000 -23.599) 23.748 16.641 ( -7.990 -0.000 6.132) 10.072 17.043 ( -1.995 -0.000 -1.507) 2.501 ======================= Grid point 104 (54/89) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -19.249 -4.412 9.006) 21.705 1.305 ( -13.837 -6.351 10.853) 18.697 1.843 ( 5.080 7.494 3.492) 9.703 1.888 ( 2.293 5.134 -0.555) 5.651 2.029 ( 3.272 -2.823 1.717) 4.651 2.090 ( 1.003 -7.983 -1.468) 8.179 2.328 ( -5.477 -1.464 3.765) 6.806 2.396 ( -7.355 -1.860 4.318) 8.729 2.519 ( 3.194 2.746 -0.255) 4.219 2.558 ( 0.981 1.186 6.067) 6.259 2.612 ( 2.736 -1.938 4.055) 5.262 2.779 ( 1.557 -4.683 1.552) 5.174 2.848 ( -1.497 1.108 1.333) 2.290 2.890 ( 1.012 0.963 4.478) 4.691 2.923 ( 0.014 -1.454 7.587) 7.725 3.007 ( 2.745 0.161 -0.349) 2.772 3.070 ( -0.349 -4.517 2.515) 5.182 3.089 ( -3.822 -0.284 2.057) 4.350 3.331 ( -3.152 0.415 -0.050) 3.180 3.487 ( -1.604 4.236 -4.517) 6.397 3.648 ( 0.792 -1.291 -2.005) 2.513 3.750 ( -0.270 0.920 -3.252) 3.390 3.835 ( 0.497 3.460 1.210) 3.699 3.890 ( -1.254 0.115 -0.354) 1.308 3.991 ( 2.184 0.675 1.876) 2.957 4.146 ( 0.791 0.664 2.142) 2.378 4.209 ( -0.280 3.195 -0.140) 3.210 4.261 ( 2.484 -1.142 -4.906) 5.616 4.335 ( -0.973 -6.475 1.568) 6.733 4.371 ( -0.524 -6.155 1.418) 6.338 4.426 ( 3.475 2.263 -1.546) 4.426 4.484 ( -1.521 -0.531 -1.190) 2.002 4.562 ( 1.161 -0.300 -8.315) 8.401 4.681 ( -0.035 0.310 -0.994) 1.042 4.733 ( -4.812 2.325 -2.691) 5.983 4.777 ( -1.452 1.508 -1.640) 2.659 5.231 ( 2.620 3.101 11.007) 11.732 5.402 ( -1.634 -1.895 3.121) 4.000 5.425 ( 5.151 2.315 -2.153) 6.043 5.804 ( 4.198 2.127 -5.333) 7.113 5.972 ( -0.186 0.777 1.761) 1.934 6.009 ( -2.767 -0.731 -3.972) 4.895 11.840 ( -1.735 1.784 0.028) 2.489 11.899 ( -1.046 -0.659 2.802) 3.063 12.110 ( 4.552 0.794 4.248) 6.277 12.242 ( 0.774 -6.798 -2.414) 7.255 12.840 ( 4.470 2.305 11.443) 12.500 13.881 ( 5.973 18.359 0.490) 19.312 14.313 ( -5.564 -0.297 -6.322) 8.427 14.369 ( 0.322 -6.513 -2.806) 7.098 14.681 ( 1.408 -23.262 3.278) 23.534 15.739 ( -2.335 17.732 -11.882) 21.472 16.681 ( -4.377 -11.182 -1.611) 12.115 17.021 ( -1.903 -1.100 -2.647) 3.441 ======================= Grid point 110 (55/89) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -13.463 -0.000 14.794) 20.003 1.071 ( -13.057 -0.000 15.258) 20.082 1.856 ( -17.232 -0.000 18.824) 25.520 1.995 ( 2.272 0.000 -1.285) 2.611 2.009 ( 8.341 0.000 -3.723) 9.134 2.018 ( 1.744 0.000 4.630) 4.948 2.240 ( -5.434 -0.000 -3.117) 6.264 2.347 ( 4.930 0.000 -6.427) 8.100 2.577 ( 2.507 0.000 5.708) 6.234 2.610 ( -2.350 -0.000 3.706) 4.388 2.654 ( 4.558 0.000 2.960) 5.435 2.734 ( 2.699 0.000 -0.746) 2.800 2.824 ( -3.739 -0.000 1.825) 4.161 2.875 ( -6.331 -0.000 -0.272) 6.337 2.974 ( 4.511 0.000 5.451) 7.076 2.985 ( -3.348 -0.000 2.877) 4.414 3.065 ( 2.449 0.000 8.050) 8.414 3.067 ( 5.810 0.000 3.921) 7.009 3.316 ( -0.864 -0.000 -2.696) 2.831 3.488 ( -2.858 -0.000 -3.206) 4.294 3.667 ( 3.329 0.000 -4.956) 5.970 3.717 ( -0.894 -0.000 -3.265) 3.385 3.871 ( -0.119 -0.000 -4.692) 4.693 3.914 ( -1.552 -0.000 4.054) 4.341 4.014 ( 2.837 0.000 -0.759) 2.936 4.188 ( 2.912 0.000 5.098) 5.871 4.228 ( -1.998 -0.000 1.099) 2.281 4.246 ( 0.294 0.000 1.382) 1.413 4.293 ( 1.656 0.000 -0.861) 1.866 4.318 ( 1.118 0.000 1.963) 2.259 4.417 ( -2.391 -0.000 -5.631) 6.117 4.516 ( 2.625 0.000 -2.611) 3.702 4.588 ( 2.497 0.000 -7.741) 8.134 4.656 ( -9.229 -0.000 -2.838) 9.656 4.685 ( 1.996 0.000 -2.474) 3.179 4.771 ( -2.608 -0.000 -2.231) 3.432 5.292 ( 0.749 0.000 13.961) 13.981 5.363 ( -2.061 -0.000 1.691) 2.666 5.497 ( 3.364 0.000 -3.835) 5.101 5.867 ( 2.380 0.000 -3.522) 4.250 5.950 ( -4.395 -0.000 -0.877) 4.482 5.989 ( 1.638 0.000 1.124) 1.986 11.849 ( -0.610 -0.000 1.001) 1.172 11.888 ( -1.370 -0.000 2.246) 2.631 12.132 ( -1.317 -0.000 -6.045) 6.187 12.173 ( 1.721 0.000 2.069) 2.692 13.031 ( 15.308 0.000 18.966) 24.373 14.193 ( -5.355 -0.000 -4.245) 6.833 14.225 ( 3.115 0.000 0.992) 3.269 14.265 ( 0.234 0.000 -7.995) 7.999 14.447 ( 1.764 0.000 8.111) 8.301 15.891 ( -6.721 -0.000 -22.346) 23.335 16.452 ( -5.411 -0.000 5.789) 7.924 16.988 ( -1.876 -0.000 -4.235) 4.632 ======================= Grid point 111 (56/89) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.266 0.000 18.459) 18.461 1.276 ( 10.928 0.000 19.292) 22.173 1.755 ( -4.823 -0.000 -5.350) 7.203 1.907 ( -1.655 -0.000 -8.525) 8.684 2.076 ( -1.092 -0.000 -5.083) 5.199 2.126 ( 1.795 0.000 2.667) 3.214 2.216 ( -2.446 -0.000 20.402) 20.548 2.343 ( 3.522 0.000 -5.515) 6.544 2.363 ( -8.406 -0.000 -6.059) 10.362 2.635 ( -3.643 -0.000 5.170) 6.324 2.710 ( 1.544 0.000 2.159) 2.655 2.776 ( -0.374 -0.000 0.050) 0.378 2.814 ( 1.177 0.000 2.422) 2.693 2.858 ( 0.851 0.000 0.628) 1.058 2.926 ( -5.031 -0.000 -0.666) 5.075 3.068 ( 3.216 0.000 -2.164) 3.876 3.211 ( 2.869 0.000 -0.563) 2.923 3.254 ( -4.802 -0.000 5.215) 7.089 3.410 ( 4.591 0.000 -1.841) 4.946 3.508 ( 2.845 0.000 8.133) 8.616 3.649 ( 2.698 0.000 -4.759) 5.470 3.659 ( -0.980 -0.000 -2.498) 2.683 3.757 ( -5.227 -0.000 -4.403) 6.835 3.772 ( 1.694 0.000 -3.959) 4.307 4.080 ( -3.143 -0.000 1.538) 3.499 4.182 ( -2.236 -0.000 -0.080) 2.237 4.244 ( 0.338 0.000 -0.688) 0.767 4.284 ( 0.766 0.000 0.113) 0.774 4.359 ( -1.914 -0.000 1.833) 2.651 4.375 ( 0.813 0.000 3.267) 3.366 4.406 ( 5.985 0.000 -2.941) 6.669 4.489 ( -1.279 -0.000 -2.286) 2.620 4.500 ( 4.734 0.000 -1.702) 5.031 4.520 ( 4.300 0.000 -8.005) 9.087 4.676 ( -1.536 -0.000 -0.381) 1.583 4.699 ( 2.309 0.000 -1.352) 2.676 5.338 ( -3.150 -0.000 2.928) 4.300 5.366 ( -7.269 -0.000 5.831) 9.319 5.554 ( -0.036 -0.000 4.703) 4.703 5.848 ( 2.409 0.000 -4.789) 5.361 5.965 ( -0.340 -0.000 4.256) 4.270 6.035 ( 0.204 0.000 -0.017) 0.204 11.842 ( -4.183 -0.000 2.070) 4.667 11.911 ( 1.704 0.000 1.133) 2.046 12.022 ( 2.522 0.000 -2.528) 3.571 12.067 ( -6.378 -0.000 -2.203) 6.748 13.559 ( 1.273 0.000 8.292) 8.389 13.969 ( -3.403 -0.000 -11.569) 12.059 14.158 ( -5.294 -0.000 -2.013) 5.664 14.214 ( 14.767 0.000 -4.120) 15.331 14.852 ( 3.739 0.000 15.245) 15.697 15.349 ( -10.075 -0.000 -9.216) 13.654 16.547 ( 3.276 0.000 6.561) 7.334 16.827 ( -0.710 -0.000 -7.460) 7.494 ======================= Grid point 112 (57/89) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.397 -5.188 19.366) 20.334 1.438 ( 6.788 -4.112 15.990) 17.851 1.770 ( -0.136 -4.689 -5.631) 7.329 1.894 ( -4.328 -2.797 -9.190) 10.536 1.990 ( -3.347 4.611 -4.695) 7.383 2.178 ( 6.575 0.818 3.424) 7.458 2.250 ( 1.829 -3.251 10.701) 11.333 2.316 ( -1.995 -4.765 4.750) 7.018 2.398 ( 2.070 -0.671 -8.747) 9.014 2.596 ( -3.773 0.187 4.091) 5.568 2.703 ( -0.974 3.316 5.195) 6.240 2.765 ( 1.634 -1.710 0.707) 2.469 2.839 ( -1.277 -1.440 0.608) 2.018 2.845 ( -0.811 1.338 -0.447) 1.627 2.902 ( 0.437 -1.813 1.106) 2.169 3.061 ( -1.179 1.445 2.360) 3.008 3.180 ( -1.153 0.767 1.101) 1.769 3.243 ( -2.933 -0.779 0.947) 3.179 3.459 ( 3.122 -0.981 1.128) 3.462 3.548 ( -3.611 -4.008 6.239) 8.248 3.586 ( -1.546 3.291 -3.825) 5.278 3.703 ( 1.138 -0.931 -7.613) 7.754 3.749 ( 2.209 -0.408 -3.827) 4.438 3.847 ( 3.092 -3.341 -1.532) 4.803 4.006 ( -2.142 0.688 -0.273) 2.266 4.185 ( -0.322 2.013 0.319) 2.063 4.205 ( -1.527 0.419 0.530) 1.670 4.270 ( -0.935 1.378 2.329) 2.863 4.384 ( 1.856 -1.894 1.932) 3.281 4.397 ( -0.053 -1.623 1.857) 2.467 4.433 ( 0.406 2.380 -1.567) 2.878 4.457 ( 0.815 1.942 -1.616) 2.655 4.569 ( 6.658 -0.525 -6.814) 9.541 4.650 ( 2.443 -3.442 -2.098) 4.713 4.681 ( 1.789 -2.300 -6.261) 6.906 4.716 ( 5.252 2.218 -3.351) 6.613 5.226 ( -8.673 3.318 8.190) 12.382 5.303 ( -5.053 -1.298 5.449) 7.544 5.540 ( 0.046 1.582 2.438) 2.907 5.864 ( 0.829 0.600 -2.248) 2.470 5.938 ( -1.425 1.888 3.063) 3.870 6.019 ( -0.119 1.432 -0.878) 1.684 11.824 ( -2.581 -4.426 4.624) 6.901 11.912 ( -3.253 1.274 0.188) 3.499 11.998 ( 0.534 -0.428 1.550) 1.694 12.121 ( 0.330 -7.010 -3.913) 8.035 13.409 ( 0.171 13.580 11.485) 17.786 13.773 ( -6.463 14.234 -12.190) 19.824 14.132 ( -3.899 -2.050 -3.935) 5.907 14.414 ( 16.931 2.943 -7.431) 18.723 15.002 ( -0.675 -12.000 11.442) 16.595 15.297 ( -8.626 -10.076 -3.989) 13.851 16.639 ( 3.054 -3.194 3.977) 5.945 16.858 ( 3.199 -2.803 -6.431) 7.711 ======================= Grid point 113 (58/89) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.969 -4.714 16.808) 17.707 1.594 ( 4.349 -5.648 8.735) 11.274 1.743 ( -5.628 4.982 2.313) 7.864 1.900 ( -0.680 0.060 0.609) 0.915 1.976 ( 2.050 -6.797 -10.571) 12.734 2.200 ( 4.034 4.552 0.276) 6.088 2.312 ( 1.309 -0.418 -3.448) 3.712 2.372 ( -4.954 3.605 -1.291) 6.261 2.424 ( 0.605 -4.547 5.075) 6.841 2.564 ( 4.037 -2.011 -1.720) 4.827 2.712 ( -5.327 -0.763 2.981) 6.152 2.790 ( 2.299 -7.373 8.206) 11.268 2.839 ( 0.563 -0.877 -0.113) 1.048 2.892 ( 3.081 -1.033 2.178) 3.911 2.933 ( -0.108 -1.292 3.038) 3.303 3.052 ( 1.021 -0.553 2.834) 3.062 3.179 ( 1.962 -0.602 0.108) 2.055 3.202 ( -2.626 0.055 1.013) 2.815 3.481 ( -2.206 3.339 0.557) 4.040 3.517 ( -8.430 -6.910 3.628) 11.488 3.572 ( 4.154 2.377 1.540) 5.028 3.706 ( 0.419 1.461 -7.613) 7.763 3.801 ( 3.513 -1.580 -3.933) 5.505 3.922 ( 1.634 -2.220 -1.350) 3.069 4.024 ( -0.291 -2.760 0.061) 2.776 4.116 ( -3.032 7.243 4.272) 8.939 4.132 ( 0.660 3.670 0.877) 3.830 4.252 ( -1.701 -2.244 -2.826) 3.989 4.359 ( -1.811 4.274 -2.298) 5.179 4.430 ( 3.117 0.752 0.486) 3.243 4.450 ( -1.493 -3.895 -0.201) 4.176 4.457 ( 2.379 0.531 -1.264) 2.746 4.635 ( 1.980 2.466 -0.337) 3.180 4.679 ( 1.571 -1.276 -3.873) 4.370 4.685 ( 2.415 1.228 0.656) 2.787 4.856 ( 2.725 -5.440 -6.963) 9.247 5.063 ( -4.618 3.186 4.468) 7.172 5.263 ( -5.195 -1.998 7.080) 9.006 5.522 ( 2.710 2.132 0.199) 3.454 5.815 ( -2.755 4.050 3.929) 6.279 5.908 ( 0.314 -0.034 -4.085) 4.097 6.002 ( -0.348 0.222 -0.256) 0.486 11.819 ( -4.294 0.928 -0.143) 4.395 11.944 ( 1.364 -8.050 7.233) 10.907 12.052 ( 1.962 -3.626 3.005) 5.102 12.223 ( -1.344 -4.662 -2.213) 5.333 13.241 ( 3.583 7.608 10.024) 13.084 13.399 ( -5.526 19.425 -14.180) 24.677 14.111 ( -5.334 -2.890 -4.083) 7.313 14.528 ( 10.894 4.901 -7.331) 14.015 15.184 ( -0.007 -10.378 5.577) 11.782 15.380 ( -6.317 -8.295 0.788) 10.456 16.694 ( 0.513 -1.326 -0.797) 1.630 16.982 ( 4.620 -4.101 -2.631) 6.715 ======================= Grid point 114 (59/89) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -6.084 8.129 11.054) 15.010 1.568 ( 3.454 -1.550 8.077) 8.920 1.728 ( 4.638 -3.375 2.103) 6.109 1.879 ( -3.486 0.168 10.284) 10.860 2.100 ( 1.080 -2.934 -5.011) 5.907 2.168 ( -0.071 2.209 -3.523) 4.159 2.229 ( 2.524 2.913 -2.445) 4.564 2.344 ( -4.592 -1.171 -7.173) 8.597 2.507 ( 3.177 -2.055 -0.679) 3.845 2.627 ( 4.200 -0.174 -0.953) 4.310 2.677 ( -1.460 -2.365 1.100) 2.989 2.853 ( -1.686 -1.102 1.188) 2.338 2.902 ( -0.482 0.586 2.310) 2.432 2.929 ( -1.324 -4.244 2.452) 5.077 2.964 ( 0.277 -0.155 8.971) 8.976 3.061 ( -0.343 -0.069 2.659) 2.682 3.179 ( -0.755 2.205 0.068) 2.332 3.259 ( 2.647 -3.313 -3.845) 5.724 3.410 ( 2.280 6.564 4.511) 8.284 3.508 ( -1.899 -2.475 3.978) 5.056 3.581 ( 0.117 -1.474 6.340) 6.510 3.667 ( -1.846 1.528 -4.364) 4.979 3.856 ( -0.924 2.000 -4.311) 4.842 3.958 ( -0.343 -1.347 2.134) 2.547 3.982 ( 0.931 2.243 0.337) 2.452 4.037 ( -0.712 -0.043 -0.669) 0.978 4.125 ( 4.378 -0.326 -0.037) 4.391 4.270 ( -3.107 2.026 -2.251) 4.339 4.288 ( 0.332 -2.472 -5.650) 6.176 4.433 ( 0.907 2.038 -0.446) 2.275 4.467 ( -1.450 -1.383 -1.194) 2.333 4.479 ( 0.527 -0.255 -0.546) 0.801 4.594 ( -0.347 2.182 2.358) 3.232 4.674 ( -1.667 -0.132 -0.116) 1.677 4.727 ( 0.525 0.556 -1.233) 1.451 4.800 ( -4.412 5.594 4.885) 8.638 5.133 ( 5.939 -5.051 -7.575) 10.870 5.270 ( -2.932 -6.038 6.643) 9.443 5.544 ( 4.112 0.916 0.470) 4.239 5.715 ( -2.241 2.757 2.025) 4.090 5.925 ( 1.196 -0.588 -4.254) 4.458 5.994 ( -1.332 -0.420 0.708) 1.566 11.778 ( -1.223 -0.674 0.099) 1.400 12.039 ( 1.417 -0.089 4.190) 4.424 12.161 ( -4.044 -3.847 1.853) 5.881 12.266 ( 3.677 -5.066 6.797) 9.240 13.018 ( -2.761 15.820 -10.906) 19.412 13.325 ( 5.151 -8.652 0.533) 10.084 14.092 ( -4.621 -2.607 -4.069) 6.686 14.526 ( 3.874 6.612 -5.361) 9.352 15.323 ( 2.910 -2.120 0.103) 3.601 15.371 ( -5.466 -1.224 5.934) 8.160 16.713 ( 0.578 -0.288 -2.896) 2.967 17.054 ( 0.676 0.453 -1.921) 2.086 ======================= Grid point 115 (60/89) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -2.759 9.617 16.473) 19.273 1.533 ( -2.289 7.623 9.809) 12.632 1.826 ( 2.629 -0.580 -2.019) 3.365 1.878 ( -0.175 -6.850 10.727) 12.729 2.092 ( 0.151 4.852 -5.134) 7.066 2.161 ( -0.537 0.382 -11.567) 11.586 2.200 ( 2.109 3.806 -0.776) 4.420 2.350 ( -2.444 -6.563 -4.326) 8.232 2.553 ( 0.821 0.742 3.185) 3.372 2.698 ( 0.330 -0.775 0.397) 0.931 2.728 ( 2.221 -3.494 -1.238) 4.321 2.805 ( -4.753 0.593 4.058) 6.278 2.844 ( -3.772 2.325 2.024) 4.872 2.902 ( -1.731 4.664 4.511) 6.716 2.997 ( -0.037 -3.445 2.956) 4.539 3.046 ( 2.019 2.332 1.325) 3.357 3.099 ( -3.307 2.815 1.575) 4.620 3.286 ( -1.202 0.418 3.099) 3.350 3.344 ( 3.596 3.313 -0.403) 4.907 3.483 ( 2.356 4.182 4.304) 6.447 3.637 ( 1.018 0.793 -3.891) 4.100 3.684 ( 0.550 -4.224 2.825) 5.112 3.753 ( -2.860 2.502 -4.293) 5.734 3.964 ( 1.255 0.166 4.134) 4.323 4.013 ( -0.247 -2.397 0.596) 2.482 4.091 ( 2.607 -1.637 -3.865) 4.941 4.201 ( -2.154 -0.802 2.939) 3.731 4.221 ( 5.046 -1.330 -3.107) 6.073 4.313 ( 0.211 0.420 -5.431) 5.451 4.402 ( -0.412 0.518 -0.856) 1.082 4.475 ( -1.939 -2.134 -1.180) 3.116 4.490 ( 1.022 0.463 -0.810) 1.384 4.559 ( -3.629 3.701 2.014) 5.561 4.592 ( -2.059 4.423 3.486) 5.996 4.649 ( -1.572 1.157 -0.691) 2.070 4.741 ( -1.587 0.308 -1.588) 2.266 5.275 ( 3.408 -4.752 -1.695) 6.088 5.362 ( 0.157 -5.295 -0.382) 5.311 5.555 ( -1.037 0.527 9.341) 9.413 5.718 ( 4.063 -1.474 -5.445) 6.952 5.952 ( 1.252 -0.489 -2.658) 2.979 5.983 ( -1.783 -1.206 1.931) 2.892 11.805 ( 1.409 -1.922 0.658) 2.472 11.996 ( -1.182 4.648 4.805) 6.789 12.120 ( -3.851 -0.647 -0.231) 3.912 12.328 ( 0.320 7.006 -3.664) 7.913 12.942 ( 5.153 -8.542 5.088) 11.199 13.615 ( 2.911 -17.704 -6.059) 18.937 14.080 ( -1.369 -0.921 -3.451) 3.825 14.420 ( -2.270 6.677 -2.507) 7.484 15.197 ( 2.207 15.358 6.869) 16.968 15.418 ( -0.987 -4.025 -3.156) 5.210 16.707 ( 0.757 2.876 -2.807) 4.090 16.980 ( -4.027 4.822 -2.387) 6.721 ======================= Grid point 116 (61/89) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 4.817 5.907 19.732) 21.153 1.348 ( -3.367 7.947 15.815) 18.016 1.840 ( -2.334 0.516 -5.014) 5.555 1.955 ( -3.361 3.553 -3.826) 6.209 2.018 ( 3.916 -3.390 -1.356) 5.354 2.121 ( -0.680 0.906 -1.963) 2.267 2.232 ( 5.754 2.317 -3.740) 7.243 2.387 ( -8.568 -1.959 5.722) 10.488 2.464 ( -5.944 1.271 2.341) 6.514 2.676 ( -3.828 -0.074 1.460) 4.098 2.739 ( -0.347 2.806 4.734) 5.514 2.764 ( -3.057 -2.253 1.209) 3.985 2.798 ( 0.954 1.861 -0.583) 2.171 2.848 ( 2.165 0.186 0.856) 2.335 2.990 ( -3.745 0.794 0.866) 3.925 3.035 ( 2.539 1.820 -1.907) 3.660 3.119 ( 3.637 -3.934 1.933) 5.696 3.288 ( 1.056 0.078 7.194) 7.272 3.366 ( 1.461 -0.822 -4.553) 4.852 3.469 ( 6.293 3.688 5.160) 8.935 3.626 ( 1.158 1.970 -3.013) 3.782 3.677 ( -0.229 0.560 -1.165) 1.312 3.756 ( -0.764 -1.309 -4.571) 4.816 3.909 ( -6.880 5.668 -1.970) 9.129 4.030 ( 0.805 -4.895 4.119) 6.448 4.160 ( 2.003 -3.716 -4.430) 6.119 4.253 ( -0.311 -2.523 4.563) 5.223 4.290 ( 0.212 0.384 -1.300) 1.372 4.304 ( 6.455 1.458 -3.025) 7.276 4.373 ( -1.578 5.913 1.139) 6.225 4.438 ( 0.873 -2.571 -2.269) 3.538 4.465 ( -1.529 1.932 0.068) 2.464 4.491 ( -0.497 -0.113 -0.585) 0.776 4.543 ( -0.855 3.604 -3.270) 4.941 4.654 ( -0.237 -3.144 -0.740) 3.239 4.709 ( -1.935 0.697 -0.577) 2.136 5.351 ( -1.058 -2.191 1.511) 2.865 5.416 ( -1.793 -1.707 -1.082) 2.702 5.544 ( -0.442 -0.818 9.619) 9.664 5.800 ( 4.000 -1.089 -6.040) 7.326 5.959 ( -0.492 -0.662 2.376) 2.515 6.010 ( 0.552 -2.004 0.563) 2.154 11.854 ( 1.202 -0.926 1.732) 2.302 11.921 ( -0.783 1.685 3.711) 4.150 12.061 ( -3.211 3.075 -4.120) 6.061 12.168 ( -2.700 5.852 -4.858) 8.071 13.298 ( 8.728 -18.025 11.120) 22.907 13.892 ( -1.956 -12.935 -11.465) 17.396 14.103 ( 4.896 0.429 -2.207) 5.387 14.273 ( -6.181 3.824 -0.597) 7.293 14.953 ( 4.906 17.349 11.313) 21.285 15.440 ( -3.190 -1.092 -9.483) 10.065 16.609 ( -0.692 7.840 2.999) 8.422 16.864 ( -3.427 1.650 -5.313) 6.534 ======================= Grid point 118 (62/89) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 8.008 0.000 18.753) 20.391 1.467 ( 3.025 0.000 16.006) 16.289 1.770 ( 5.664 0.000 -8.688) 10.372 1.826 ( -1.716 -0.000 -9.943) 10.090 2.028 ( -0.290 -0.000 -4.477) 4.487 2.226 ( 2.517 0.000 11.591) 11.861 2.255 ( -2.070 -0.000 -4.866) 5.288 2.276 ( 9.041 0.000 15.655) 18.079 2.425 ( 1.421 0.000 -5.956) 6.124 2.563 ( -1.443 -0.000 2.916) 3.254 2.728 ( -1.409 -0.000 3.805) 4.058 2.803 ( -0.088 -0.000 3.243) 3.245 2.806 ( 0.661 0.000 1.552) 1.687 2.855 ( 0.668 0.000 1.407) 1.557 2.874 ( 0.175 0.000 -1.016) 1.031 3.035 ( -3.416 -0.000 3.478) 4.875 3.124 ( -2.892 -0.000 -0.476) 2.930 3.210 ( -2.650 -0.000 -1.681) 3.138 3.359 ( -8.971 -0.000 8.101) 12.087 3.572 ( -0.576 -0.000 -3.449) 3.496 3.614 ( 4.562 0.000 -9.778) 10.791 3.715 ( 2.529 0.000 -4.296) 4.985 3.772 ( 1.800 0.000 -1.756) 2.514 3.869 ( 4.057 0.000 0.376) 4.074 3.968 ( -3.411 -0.000 -1.482) 3.719 4.151 ( -0.385 -0.000 -0.067) 0.391 4.247 ( -0.507 -0.000 1.059) 1.174 4.302 ( 0.888 0.000 2.819) 2.956 4.321 ( -1.622 -0.000 1.551) 2.244 4.424 ( 2.550 0.000 4.067) 4.801 4.473 ( 0.502 0.000 -1.017) 1.135 4.489 ( 1.189 0.000 -1.870) 2.216 4.624 ( 3.991 0.000 -4.880) 6.304 4.651 ( 1.242 0.000 0.921) 1.546 4.693 ( 5.119 0.000 -12.995) 13.967 4.803 ( 2.904 0.000 -3.012) 4.184 5.142 ( -8.531 -0.000 11.547) 14.357 5.216 ( -5.713 -0.000 3.191) 6.544 5.562 ( 1.839 0.000 0.692) 1.965 5.866 ( -0.980 -0.000 -0.841) 1.291 5.929 ( -2.909 -0.000 5.144) 5.910 6.023 ( -1.066 -0.000 -2.512) 2.729 11.749 ( -2.251 -0.000 3.585) 4.233 11.916 ( -4.445 -0.000 -0.565) 4.481 11.923 ( -0.399 -0.000 0.610) 0.729 12.125 ( 4.487 0.000 1.516) 4.736 13.487 ( -4.001 -0.000 12.758) 13.371 13.794 ( -7.605 -0.000 -10.147) 12.681 14.130 ( 1.233 0.000 -4.883) 5.037 14.716 ( 19.952 0.000 -14.951) 24.932 14.862 ( -2.277 -0.000 14.893) 15.066 15.001 ( -15.715 -0.000 -3.451) 16.089 16.708 ( 7.734 0.000 5.655) 9.581 16.871 ( 3.793 0.000 -7.392) 8.309 ======================= Grid point 119 (63/89) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.526 -0.868 16.602) 17.859 1.573 ( 5.914 -4.719 11.272) 13.576 1.796 ( 3.154 2.713 -3.807) 5.639 1.920 ( 5.929 -5.237 -7.412) 10.840 1.971 ( 0.757 5.273 -0.918) 5.405 2.249 ( -1.983 -2.197 -3.188) 4.350 2.287 ( 0.919 0.766 6.033) 6.151 2.374 ( 2.323 -1.854 3.462) 4.563 2.418 ( -0.196 2.116 1.352) 2.519 2.569 ( 2.644 -1.517 2.904) 4.210 2.667 ( -0.648 1.727 0.106) 1.848 2.740 ( -2.273 0.425 1.385) 2.696 2.842 ( -2.727 0.056 4.869) 5.581 2.890 ( 4.310 -1.341 2.731) 5.275 2.950 ( 4.980 -2.296 1.669) 5.732 3.033 ( -1.045 -3.733 4.593) 6.010 3.126 ( -1.546 -1.235 -2.234) 2.985 3.168 ( -1.797 -1.314 2.423) 3.290 3.313 ( -4.377 -5.522 1.847) 7.284 3.505 ( -3.294 2.095 -5.081) 6.408 3.680 ( 4.391 1.841 -4.335) 6.440 3.715 ( -1.574 0.523 -5.482) 5.727 3.816 ( 3.788 -1.516 -2.448) 4.758 3.917 ( 1.269 -0.847 0.075) 1.528 3.969 ( -0.097 -2.544 -0.217) 2.555 4.153 ( -0.886 -0.355 -0.989) 1.375 4.188 ( -3.457 4.590 2.767) 6.378 4.244 ( 0.679 2.804 2.366) 3.731 4.366 ( -1.313 -2.339 1.764) 3.211 4.433 ( -0.368 3.687 -1.581) 4.028 4.467 ( 2.737 -0.760 3.874) 4.804 4.491 ( 0.498 1.059 -1.204) 1.679 4.668 ( 1.088 0.189 0.034) 1.105 4.686 ( 2.595 -1.552 -4.118) 5.109 4.742 ( -0.613 2.092 -0.641) 2.272 4.811 ( 1.476 -1.907 -7.863) 8.225 5.042 ( -3.695 0.734 6.604) 7.604 5.165 ( -4.503 -1.296 1.925) 5.066 5.590 ( 3.991 1.350 -0.681) 4.268 5.831 ( -3.348 2.147 3.103) 5.045 5.886 ( -2.494 -0.936 1.953) 3.303 6.000 ( -1.178 0.633 -3.071) 3.350 11.774 ( -0.751 -3.158 3.055) 4.458 11.854 ( 0.079 -1.087 3.285) 3.461 11.984 ( -1.504 -5.286 0.439) 5.514 12.184 ( 2.877 -1.361 0.770) 3.275 13.372 ( -3.147 6.859 13.306) 15.297 13.600 ( -5.403 13.098 -11.424) 18.201 14.094 ( 0.986 3.118 -3.215) 4.586 14.781 ( 6.899 5.390 -8.365) 12.109 14.994 ( -2.804 -13.802 -2.130) 14.244 15.009 ( -6.083 -12.118 3.467) 13.996 16.774 ( 6.632 2.779 1.604) 7.368 16.967 ( 4.129 -4.070 -3.279) 6.660 ======================= Grid point 120 (64/89) ======================= q-point: ( 0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.035 -3.450 11.225) 13.689 1.642 ( 1.530 5.459 10.036) 11.526 1.808 ( 7.656 2.954 3.089) 8.768 1.903 ( -0.671 4.596 4.428) 6.417 2.041 ( 0.985 -2.896 -2.120) 3.722 2.192 ( -2.420 1.474 -4.838) 5.607 2.269 ( -0.980 -0.626 -2.342) 2.615 2.363 ( 3.391 5.503 -5.672) 8.599 2.492 ( 3.755 -4.938 3.199) 6.980 2.644 ( -3.450 -6.842 -0.151) 7.665 2.649 ( -0.021 1.698 1.039) 1.991 2.728 ( -1.887 -1.552 2.479) 3.481 2.838 ( -0.010 -3.126 4.835) 5.757 2.936 ( 0.694 1.365 2.524) 2.952 2.995 ( 2.291 -1.249 2.688) 3.746 3.029 ( -2.943 1.652 4.652) 5.747 3.160 ( -1.698 -1.451 1.304) 2.586 3.238 ( 2.039 -4.168 -4.411) 6.402 3.418 ( 1.427 -7.975 -0.882) 8.149 3.466 ( -0.012 -0.828 0.596) 1.020 3.633 ( -0.673 4.062 -0.106) 4.118 3.703 ( 2.955 2.668 -0.799) 4.061 3.889 ( 1.813 0.791 -3.020) 3.610 3.941 ( 0.373 -1.027 -0.033) 1.093 3.980 ( -1.959 -1.267 -1.264) 2.653 4.051 ( -1.701 5.232 5.837) 8.021 4.151 ( 0.269 -1.125 -2.652) 2.893 4.237 ( -2.343 -1.266 1.710) 3.165 4.317 ( -0.097 3.439 -1.941) 3.950 4.408 ( -1.072 -0.679 -0.894) 1.552 4.450 ( -1.811 2.519 -1.264) 3.349 4.519 ( 3.507 -0.548 2.883) 4.573 4.651 ( -2.686 4.204 1.801) 5.304 4.680 ( 2.172 0.536 -0.534) 2.300 4.719 ( -0.371 -0.316 -2.845) 2.887 4.827 ( -1.459 2.278 1.418) 3.054 5.084 ( -0.770 -7.936 1.094) 8.048 5.151 ( 0.374 -1.677 -3.376) 3.788 5.600 ( 0.794 2.263 3.494) 4.238 5.743 ( -0.788 2.687 -0.762) 2.902 5.899 ( -1.369 -2.706 1.286) 3.294 5.977 ( -0.881 0.390 -2.979) 3.131 11.781 ( 1.544 0.474 1.170) 1.995 11.989 ( 2.094 -8.557 7.167) 11.356 12.033 ( -2.547 -4.130 1.071) 4.969 12.244 ( 1.808 -2.208 2.029) 3.502 13.250 ( -4.606 -0.123 4.189) 6.227 13.269 ( -2.732 18.211 -11.178) 21.541 14.102 ( 5.098 1.357 -0.029) 5.275 14.733 ( 3.176 9.705 -12.795) 16.370 15.109 ( -9.161 -13.134 9.407) 18.572 15.214 ( 0.021 -12.764 -2.255) 12.962 16.807 ( 6.715 3.588 -1.225) 7.711 17.051 ( 0.251 -1.530 -1.688) 2.292 ======================= Grid point 121 (65/89) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 2.120 10.301 14.691) 18.067 1.689 ( -0.909 11.500 12.460) 16.980 1.763 ( 3.116 -5.557 9.138) 11.140 1.913 ( 5.787 1.493 -2.442) 6.456 2.086 ( -2.276 -4.511 -0.946) 5.140 2.176 ( 1.198 2.241 -9.379) 9.717 2.237 ( -4.268 1.167 -4.617) 6.395 2.330 ( 5.310 3.828 -10.496) 12.370 2.562 ( -1.868 0.811 2.631) 3.327 2.634 ( -9.600 -4.719 3.656) 11.305 2.652 ( 0.241 -3.031 4.599) 5.513 2.789 ( 6.658 -1.169 0.683) 6.794 2.896 ( 0.017 2.537 1.588) 2.993 2.929 ( 1.169 -3.511 4.428) 5.770 2.949 ( -2.275 3.837 3.774) 5.843 3.055 ( -0.101 -1.144 1.703) 2.054 3.096 ( -3.147 0.381 0.213) 3.177 3.261 ( -1.914 1.777 -1.449) 2.987 3.456 ( -1.461 1.818 5.190) 5.690 3.541 ( 2.214 -3.383 -0.336) 4.057 3.608 ( 4.731 0.399 -0.954) 4.842 3.699 ( -0.487 2.507 0.373) 2.581 3.807 ( 0.941 5.254 -2.202) 5.774 3.969 ( 0.605 -1.919 1.122) 2.304 3.998 ( 0.315 0.756 2.122) 2.274 4.053 ( 1.416 -4.961 -0.050) 5.159 4.167 ( -3.464 -0.311 -2.504) 4.286 4.221 ( -0.085 -2.141 2.150) 3.035 4.325 ( 2.030 -1.294 -3.859) 4.549 4.389 ( -2.348 -1.335 -3.491) 4.414 4.412 ( 0.241 0.752 1.313) 1.532 4.545 ( 0.135 5.620 -2.285) 6.069 4.568 ( 1.314 -0.353 2.524) 2.867 4.657 ( -3.791 4.233 2.092) 6.055 4.704 ( 2.027 2.109 -1.328) 3.213 4.750 ( 1.614 3.983 -3.058) 5.274 5.169 ( -4.465 -7.999 5.248) 10.557 5.275 ( 3.973 -6.121 -6.559) 9.812 5.535 ( -4.075 1.309 9.715) 10.617 5.757 ( 4.032 -0.446 -5.045) 6.474 5.920 ( -2.589 -2.502 2.102) 4.169 5.968 ( 0.895 0.376 -2.973) 3.127 11.821 ( 4.171 -0.562 1.669) 4.528 12.016 ( -4.228 -1.235 0.263) 4.413 12.087 ( -0.040 2.527 7.127) 7.562 12.333 ( 0.565 -5.372 3.464) 6.417 13.002 ( 2.251 9.729 -6.998) 12.194 13.312 ( -5.546 -14.870 -5.783) 16.891 14.154 ( 8.101 2.723 1.419) 8.664 14.543 ( -3.787 11.470 -8.356) 14.687 15.211 ( -4.129 -7.784 8.704) 12.385 15.371 ( 1.341 -5.003 -2.943) 5.957 16.824 ( 6.465 4.785 -2.227) 8.346 17.001 ( -4.913 3.912 -2.271) 6.678 ======================= Grid point 122 (66/89) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 4.174 8.049 16.238) 18.598 1.492 ( 0.397 9.761 18.062) 20.534 1.853 ( -0.108 0.715 2.219) 2.334 1.932 ( 1.206 0.374 -5.552) 5.694 2.077 ( -4.814 4.757 -9.651) 11.788 2.103 ( -1.829 -0.816 -1.574) 2.547 2.223 ( 0.858 -3.495 -0.097) 3.601 2.357 ( 4.977 1.985 -9.390) 10.811 2.467 ( -4.235 4.553 7.905) 10.058 2.620 ( -6.555 -5.916 2.438) 9.160 2.699 ( 2.944 2.793 3.842) 5.588 2.803 ( 0.526 4.246 5.706) 7.132 2.838 ( -0.656 2.866 -4.178) 5.109 2.902 ( 3.008 0.922 2.424) 3.972 2.930 ( -6.110 1.014 3.523) 7.125 3.035 ( -0.128 -1.955 4.196) 4.631 3.127 ( 2.908 -1.207 1.857) 3.655 3.256 ( -1.572 -3.308 -0.809) 3.751 3.416 ( 3.548 2.365 2.789) 5.095 3.591 ( -1.982 1.868 1.565) 3.141 3.632 ( 2.455 -0.824 0.579) 2.653 3.693 ( 3.205 1.167 -3.775) 5.088 3.750 ( -1.576 1.201 -1.812) 2.685 3.921 ( -4.126 4.103 -4.203) 7.178 4.012 ( 0.990 0.631 1.545) 1.940 4.116 ( 0.338 -3.251 -1.669) 3.670 4.182 ( -1.148 -4.388 4.989) 6.742 4.278 ( 1.812 -2.483 1.342) 3.355 4.384 ( -0.406 2.757 0.170) 2.792 4.388 ( 0.494 -3.039 -2.561) 4.005 4.412 ( -1.937 -2.476 -2.477) 4.002 4.486 ( 2.061 2.828 -5.514) 6.531 4.515 ( 1.321 5.740 0.199) 5.893 4.607 ( 2.104 -2.337 1.956) 3.703 4.681 ( 0.890 2.468 -1.192) 2.882 4.727 ( 3.929 4.885 -7.284) 9.610 5.237 ( -5.652 -6.689 5.388) 10.282 5.359 ( -1.817 -1.110 0.883) 2.305 5.506 ( -1.402 -2.527 6.791) 7.380 5.822 ( 2.701 -1.620 -3.186) 4.480 5.924 ( -1.968 -1.998 0.656) 2.880 5.988 ( 1.155 -0.992 -0.588) 1.632 11.885 ( 3.687 0.390 3.157) 4.870 11.956 ( -3.851 2.355 2.658) 5.239 12.006 ( -1.898 2.340 3.000) 4.252 12.290 ( -2.684 7.947 -6.015) 10.321 13.106 ( 6.366 -12.868 7.851) 16.363 13.548 ( -5.598 -20.416 -11.734) 24.204 14.230 ( 9.125 1.438 -1.072) 9.299 14.303 ( -5.470 8.326 -4.772) 11.046 15.190 ( -1.031 7.129 8.665) 11.268 15.428 ( 1.065 0.627 -3.885) 4.077 16.761 ( -1.129 9.434 0.797) 9.535 16.875 ( 0.184 2.994 -5.140) 5.951 ======================= Grid point 125 (67/89) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.958 0.000 11.976) 12.961 1.624 ( 10.403 0.000 12.707) 16.422 1.889 ( 4.972 0.000 -1.564) 5.212 1.946 ( 7.562 0.000 -2.948) 8.116 2.019 ( -1.267 -0.000 -0.785) 1.490 2.253 ( 2.344 0.000 -3.068) 3.861 2.274 ( -2.767 -0.000 8.531) 8.969 2.372 ( -3.085 -0.000 7.399) 8.017 2.402 ( -1.610 -0.000 -3.426) 3.786 2.603 ( 3.890 0.000 -1.729) 4.257 2.715 ( 3.926 0.000 1.054) 4.065 2.769 ( 0.916 0.000 -1.347) 1.629 2.796 ( -4.719 -0.000 2.783) 5.479 2.856 ( 0.983 0.000 0.820) 1.280 3.006 ( 0.411 0.000 3.507) 3.532 3.036 ( 11.584 0.000 7.883) 14.011 3.080 ( -6.857 -0.000 5.400) 8.728 3.143 ( 2.035 0.000 -2.337) 3.099 3.234 ( -1.034 -0.000 -2.088) 2.330 3.465 ( -4.315 -0.000 -8.862) 9.857 3.659 ( -5.020 -0.000 -4.963) 7.059 3.746 ( 2.703 0.000 -7.098) 7.595 3.860 ( 4.395 0.000 -0.212) 4.400 3.930 ( 0.614 0.000 1.738) 1.843 3.950 ( 1.183 0.000 -0.332) 1.229 4.133 ( -1.520 -0.000 -1.161) 1.912 4.175 ( -3.777 -0.000 2.603) 4.587 4.286 ( -2.432 -0.000 6.711) 7.138 4.321 ( -0.132 -0.000 1.659) 1.664 4.466 ( 0.037 0.000 -2.913) 2.914 4.488 ( 1.563 0.000 7.087) 7.257 4.512 ( 1.974 0.000 0.907) 2.172 4.675 ( -1.780 -0.000 1.631) 2.414 4.699 ( 1.585 0.000 -3.573) 3.909 4.736 ( -0.164 -0.000 -5.383) 5.386 4.792 ( -3.541 -0.000 -1.649) 3.906 5.012 ( -0.857 -0.000 5.326) 5.395 5.132 ( 0.575 0.000 -5.973) 6.001 5.669 ( 5.522 0.000 -1.850) 5.824 5.805 ( -3.470 -0.000 2.648) 4.364 5.822 ( -4.916 -0.000 5.670) 7.505 5.988 ( -1.318 -0.000 -4.704) 4.885 11.748 ( 2.007 0.000 3.421) 3.967 11.872 ( 1.272 0.000 2.889) 3.157 11.909 ( -0.611 -0.000 0.374) 0.716 12.202 ( 0.839 0.000 0.430) 0.943 13.397 ( -3.831 -0.000 16.683) 17.118 13.659 ( -1.761 -0.000 -9.513) 9.674 14.163 ( 1.085 0.000 -3.521) 3.684 14.612 ( -13.322 -0.000 -6.285) 14.730 14.786 ( -3.379 -0.000 13.545) 13.960 15.128 ( 12.244 0.000 -20.200) 23.621 16.878 ( 4.454 0.000 4.960) 6.666 16.981 ( 4.121 0.000 -4.494) 6.097 ======================= Grid point 126 (68/89) ======================= q-point: ( 0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 5.358 -1.158 10.053) 11.450 1.752 ( 6.091 1.163 8.062) 10.171 1.924 ( 1.269 0.712 2.564) 2.948 1.953 ( -1.035 3.631 3.835) 5.381 2.061 ( 3.984 0.054 4.198) 5.787 2.181 ( -1.950 2.194 -1.711) 3.397 2.278 ( -1.922 -2.645 4.586) 5.632 2.349 ( -3.815 -3.804 0.587) 5.419 2.472 ( 4.680 -4.199 -1.673) 6.506 2.567 ( -0.206 7.669 -8.443) 11.408 2.705 ( -1.923 3.885 5.080) 6.678 2.738 ( 3.802 0.101 -0.389) 3.823 2.814 ( 3.413 -1.971 2.022) 4.430 2.951 ( 0.305 -1.857 -0.639) 1.988 2.998 ( -3.692 0.904 6.072) 7.164 3.018 ( 1.594 -1.135 3.340) 3.871 3.131 ( 1.288 -0.283 2.186) 2.553 3.187 ( -0.681 -2.402 -1.591) 2.961 3.312 ( 3.874 -7.395 -3.404) 9.016 3.426 ( -2.577 -0.842 -7.768) 8.227 3.634 ( -0.336 -2.707 -2.497) 3.698 3.766 ( 0.227 0.166 -3.493) 3.504 3.904 ( 0.794 -0.759 0.378) 1.162 3.925 ( 0.304 -0.459 -0.584) 0.803 3.978 ( 1.816 1.348 0.825) 2.408 4.104 ( -2.096 -0.245 -0.325) 2.135 4.139 ( -0.210 1.092 2.484) 2.722 4.187 ( -4.353 4.529 8.761) 10.780 4.329 ( -1.196 -0.692 0.387) 1.435 4.439 ( 0.604 3.181 -1.275) 3.480 4.499 ( 0.110 3.399 0.756) 3.484 4.528 ( 1.716 -2.002 4.815) 5.490 4.643 ( -1.820 -0.289 -0.074) 1.844 4.703 ( -1.849 0.331 0.413) 1.923 4.728 ( 0.774 0.379 -2.368) 2.520 4.786 ( -2.993 -4.126 -0.929) 5.181 5.013 ( 1.787 1.123 1.510) 2.595 5.165 ( 3.787 -0.771 -9.662) 10.406 5.647 ( -2.872 4.816 6.402) 8.511 5.777 ( 0.815 0.882 -1.101) 1.629 5.817 ( -1.453 -3.930 1.809) 4.564 5.973 ( -0.446 -0.015 -4.444) 4.467 11.808 ( 3.194 -1.738 2.040) 4.169 11.913 ( 2.789 -3.401 4.088) 6.005 11.947 ( -0.038 -3.345 1.636) 3.724 12.216 ( -0.635 -2.447 -0.978) 2.711 13.249 ( -6.197 8.264 11.974) 15.813 13.532 ( 0.537 14.923 -8.914) 17.391 14.179 ( 5.354 -2.004 -0.089) 5.718 14.635 ( -11.264 -13.709 -7.929) 19.434 14.816 ( -3.698 -8.759 11.054) 14.580 15.210 ( 8.701 4.101 -16.509) 19.107 16.917 ( 3.078 0.226 2.686) 4.091 17.029 ( 0.771 -0.546 -2.046) 2.254 ======================= Grid point 127 (69/89) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.960 4.437 10.457) 11.527 1.721 ( -0.306 4.401 11.857) 12.651 1.885 ( 2.947 -0.046 1.174) 3.173 1.971 ( -6.037 3.770 6.825) 9.861 1.993 ( 3.131 -0.806 1.989) 3.796 2.197 ( 2.256 2.066 -7.978) 8.545 2.325 ( -6.506 -0.048 -0.535) 6.528 2.340 ( -0.459 -5.488 3.347) 6.444 2.457 ( 2.359 4.768 -13.312) 14.336 2.569 ( 0.636 1.180 2.599) 2.925 2.667 ( 3.643 -1.634 6.383) 7.529 2.823 ( 4.084 -4.252 1.500) 6.083 2.870 ( -1.242 -1.199 3.771) 4.148 2.943 ( -2.453 -0.068 3.395) 4.189 2.959 ( 0.836 0.406 -0.086) 0.933 3.027 ( 0.277 0.139 0.136) 0.339 3.093 ( -0.296 3.026 0.702) 3.121 3.282 ( 1.002 -3.331 -2.828) 4.483 3.332 ( -5.314 -1.906 0.939) 5.723 3.535 ( 4.110 -5.724 -4.827) 8.541 3.692 ( 3.273 0.097 -0.988) 3.420 3.720 ( -3.208 2.510 0.567) 4.112 3.911 ( -2.283 3.337 1.269) 4.238 3.939 ( 1.330 -1.175 -1.645) 2.420 3.972 ( 0.555 -1.500 2.045) 2.596 4.042 ( -1.564 3.029 7.019) 7.803 4.102 ( -3.328 -1.152 -2.658) 4.412 4.178 ( 3.385 -2.507 3.621) 5.555 4.330 ( 0.126 -0.766 -1.947) 2.096 4.379 ( -1.410 2.702 -2.907) 4.212 4.465 ( 1.596 2.199 1.793) 3.256 4.562 ( 0.350 -0.115 -0.098) 0.381 4.632 ( 1.356 2.308 -0.730) 2.775 4.659 ( -2.535 0.983 2.082) 3.424 4.733 ( -0.312 1.348 -1.460) 2.012 4.820 ( -0.646 -4.346 -0.243) 4.401 5.022 ( 0.942 -0.194 0.369) 1.030 5.255 ( 4.830 -3.101 -8.539) 10.289 5.520 ( -4.353 3.867 9.531) 11.169 5.780 ( -0.701 -0.994 2.027) 2.364 5.859 ( 0.603 -1.443 -3.678) 3.997 5.982 ( 1.076 -0.372 -2.740) 2.967 11.877 ( 4.814 -0.547 2.033) 5.254 11.934 ( -4.055 -1.060 -0.882) 4.283 12.084 ( 4.435 -6.427 8.044) 11.211 12.269 ( -0.141 -3.128 0.288) 3.144 13.070 ( -8.144 -0.917 1.659) 8.362 13.269 ( 3.603 17.104 -8.154) 19.288 14.300 ( 7.976 0.680 3.657) 8.800 14.585 ( -11.779 2.245 -9.073) 15.037 14.992 ( 0.031 -15.017 6.084) 16.203 15.298 ( 5.413 -3.900 -7.468) 10.014 16.948 ( 0.145 -0.142 0.191) 0.278 16.994 ( -1.296 3.842 -1.275) 4.250 ======================= Grid point 128 (70/89) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.226 6.110 14.084) 15.401 1.637 ( 1.337 4.860 9.767) 10.990 1.811 ( -9.088 1.419 7.947) 12.156 1.951 ( -1.836 -0.595 -1.618) 2.518 2.042 ( 1.531 -0.828 -2.478) 3.028 2.118 ( 1.570 5.303 -7.256) 9.123 2.276 ( -1.073 -1.481 0.690) 1.955 2.390 ( 0.050 -0.158 -3.357) 3.361 2.460 ( -0.046 -1.024 -8.412) 8.474 2.536 ( 2.606 2.150 5.516) 6.468 2.759 ( 1.241 -1.236 3.006) 3.479 2.818 ( -2.872 -0.433 0.992) 3.069 2.890 ( -0.002 3.121 -0.414) 3.149 2.932 ( 1.570 -0.669 3.432) 3.833 2.954 ( 0.397 5.551 10.061) 11.498 3.044 ( 1.665 0.818 1.505) 2.389 3.112 ( 2.907 -4.929 -3.600) 6.760 3.219 ( -0.533 3.489 1.728) 3.930 3.402 ( -1.382 -6.563 4.928) 8.323 3.571 ( -1.487 2.120 2.848) 3.849 3.665 ( -0.036 -1.051 -5.956) 6.048 3.750 ( -4.628 3.518 2.440) 6.305 3.763 ( 2.569 3.046 -3.733) 5.460 3.951 ( 0.711 2.135 -2.193) 3.142 4.012 ( 0.344 -3.174 3.971) 5.095 4.057 ( -0.812 -3.441 -1.181) 3.727 4.084 ( -2.671 -2.633 3.032) 4.823 4.270 ( 2.692 -0.730 -0.533) 2.839 4.341 ( -1.721 -1.487 -3.053) 3.807 4.365 ( 1.639 -2.082 -3.414) 4.322 4.439 ( 1.174 2.019 -0.439) 2.376 4.550 ( -2.930 4.145 1.083) 5.190 4.599 ( 1.730 -0.694 1.781) 2.578 4.622 ( 3.589 2.435 -2.182) 4.855 4.703 ( -0.259 1.270 -2.223) 2.573 4.880 ( 3.191 1.114 -3.578) 4.922 5.047 ( -2.826 -4.168 2.118) 5.463 5.333 ( -0.666 -0.026 1.628) 1.759 5.455 ( 0.246 -1.386 4.532) 4.746 5.789 ( -2.413 -2.745 4.172) 5.546 5.888 ( 1.341 -0.784 -6.137) 6.330 5.999 ( 0.889 0.101 -0.633) 1.096 11.872 ( -5.273 -0.316 -0.768) 5.338 11.955 ( 4.679 0.043 3.023) 5.571 12.143 ( 3.592 7.734 8.682) 12.170 12.287 ( -3.629 -2.319 0.023) 4.307 13.123 ( 0.950 -3.396 -3.514) 4.978 13.152 ( 0.305 -8.399 -6.239) 10.467 14.302 ( -6.733 6.564 -3.271) 9.956 14.401 ( 3.332 2.217 -3.388) 5.243 15.222 ( 3.759 -5.081 4.215) 7.597 15.414 ( 1.439 -3.855 -1.484) 4.374 16.820 ( -7.450 5.708 -1.556) 9.513 16.981 ( 4.768 3.115 -1.584) 5.912 ======================= Grid point 132 (71/89) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.324 0.000 4.902) 6.536 1.836 ( 4.423 0.000 1.944) 4.831 1.873 ( -7.659 -0.000 7.034) 10.399 1.986 ( -13.399 -0.000 14.514) 19.753 2.012 ( 1.564 0.000 8.536) 8.679 2.150 ( -0.944 -0.000 -0.551) 1.093 2.236 ( 2.067 0.000 0.266) 2.084 2.384 ( 7.339 0.000 -2.024) 7.613 2.467 ( 2.044 0.000 -5.582) 5.945 2.686 ( -3.509 -0.000 3.798) 5.171 2.718 ( 6.343 0.000 -7.146) 9.555 2.746 ( -6.011 -0.000 3.448) 6.930 2.863 ( 1.707 0.000 2.360) 2.912 2.908 ( 4.630 0.000 -2.599) 5.309 2.952 ( -2.738 -0.000 4.537) 5.299 3.048 ( 2.663 0.000 4.711) 5.411 3.145 ( -3.196 -0.000 0.966) 3.339 3.149 ( 0.448 0.000 -1.898) 1.950 3.321 ( 6.440 0.000 -2.917) 7.070 3.396 ( -1.002 -0.000 -10.914) 10.960 3.576 ( -2.358 -0.000 -0.070) 2.359 3.731 ( -3.042 -0.000 -5.724) 6.482 3.906 ( 0.336 0.000 2.126) 2.152 3.929 ( -0.242 -0.000 1.005) 1.034 4.036 ( 4.656 0.000 0.213) 4.660 4.060 ( -4.051 -0.000 -2.590) 4.808 4.129 ( 1.007 0.000 6.452) 6.531 4.265 ( 2.064 0.000 9.368) 9.592 4.288 ( -1.511 -0.000 -1.414) 2.070 4.469 ( -1.323 -0.000 -0.579) 1.444 4.489 ( -2.018 -0.000 3.929) 4.417 4.559 ( -4.799 -0.000 5.164) 7.049 4.568 ( -2.356 -0.000 3.105) 3.898 4.658 ( 1.290 0.000 -4.275) 4.465 4.743 ( 0.727 0.000 -2.715) 2.811 4.752 ( -0.158 -0.000 -0.202) 0.256 5.077 ( 4.487 0.000 -2.896) 5.340 5.214 ( 4.912 0.000 -10.387) 11.490 5.660 ( -4.732 -0.000 10.907) 11.889 5.715 ( -3.026 -0.000 2.393) 3.858 5.844 ( 5.073 0.000 -5.087) 7.184 5.967 ( -0.077 -0.000 -4.082) 4.083 11.830 ( 3.769 0.000 1.858) 4.202 11.890 ( -0.920 -0.000 -1.321) 1.609 11.975 ( 6.103 0.000 5.671) 8.331 12.162 ( -3.504 -0.000 -3.103) 4.680 13.279 ( -5.330 -0.000 16.428) 17.271 13.731 ( 7.442 0.000 -6.307) 9.755 14.176 ( 0.214 0.000 -1.988) 1.999 14.353 ( -6.835 -0.000 -7.587) 10.212 14.705 ( -3.286 -0.000 11.665) 12.119 15.354 ( 6.371 0.000 -21.818) 22.729 16.906 ( -2.553 -0.000 5.229) 5.819 17.046 ( 0.641 0.000 -2.096) 2.192 ======================= Grid point 133 (72/89) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -3.752 3.493 6.376) 8.181 1.712 ( -12.880 0.984 9.399) 15.975 1.851 ( 0.402 -1.325 -2.364) 2.740 1.938 ( -2.743 -3.037 5.622) 6.954 2.044 ( -4.757 -4.147 10.880) 12.578 2.076 ( -1.154 3.188 5.907) 6.811 2.300 ( 6.960 1.553 -4.411) 8.386 2.457 ( 3.364 0.969 -3.954) 5.282 2.484 ( -3.679 1.563 -8.145) 9.072 2.638 ( -1.259 2.925 5.005) 5.932 2.653 ( 4.017 -3.001 2.062) 5.422 2.811 ( 2.524 -0.961 -2.876) 3.945 2.860 ( 0.557 2.523 3.942) 4.714 2.921 ( -1.342 0.135 5.809) 5.963 2.959 ( 1.356 -1.993 -2.073) 3.179 3.073 ( -2.021 2.564 -0.357) 3.284 3.133 ( 2.761 -3.239 3.879) 5.759 3.150 ( -1.184 -0.918 1.653) 2.231 3.352 ( -0.032 2.290 -8.977) 9.265 3.461 ( 1.868 -7.405 -3.091) 8.238 3.608 ( -2.853 -6.558 0.218) 7.155 3.702 ( -3.122 0.074 -3.445) 4.650 3.897 ( 0.423 0.384 1.216) 1.343 3.946 ( 0.574 -1.260 0.302) 1.417 3.994 ( -2.510 2.060 -2.346) 4.006 4.082 ( -0.309 3.894 7.218) 8.207 4.103 ( 1.367 2.765 0.782) 3.182 4.246 ( 5.844 2.047 4.509) 7.659 4.306 ( -0.514 -1.473 -1.366) 2.073 4.398 ( -2.911 2.476 0.363) 3.839 4.480 ( -1.491 -0.303 -0.252) 1.542 4.558 ( -3.379 -1.926 1.963) 4.357 4.565 ( -2.491 -6.688 5.998) 9.323 4.686 ( 2.809 1.660 -2.560) 4.147 4.728 ( -1.275 0.819 0.314) 1.547 4.747 ( -0.138 0.584 -2.498) 2.569 5.118 ( 5.468 2.493 -4.601) 7.568 5.287 ( 5.039 -1.098 -8.380) 9.840 5.558 ( -1.953 4.807 9.337) 10.682 5.714 ( -2.708 -2.308 3.616) 5.073 5.892 ( 3.285 0.875 -5.262) 6.265 5.982 ( 0.983 -1.066 -2.167) 2.607 11.873 ( -1.468 -0.530 -0.682) 1.703 11.914 ( 2.783 -2.343 0.887) 3.744 12.073 ( 5.847 -2.098 5.983) 8.625 12.166 ( -2.338 -6.406 -4.919) 8.408 13.096 ( -4.809 11.434 11.816) 17.131 13.639 ( 7.435 18.435 -6.445) 20.896 14.295 ( -1.068 -9.844 -0.462) 9.912 14.408 ( -2.565 -6.329 -3.221) 7.551 14.737 ( -2.008 -11.739 7.236) 13.936 15.388 ( 5.482 3.016 -17.228) 18.329 16.873 ( -5.878 -1.785 3.509) 7.075 17.035 ( -0.707 0.662 -1.280) 1.605 ======================= Grid point 134 (73/89) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -11.458 -3.438 11.492) 16.588 1.592 ( -3.534 1.626 6.797) 7.832 1.792 ( -2.492 4.900 1.286) 5.646 1.949 ( -0.782 3.014 7.496) 8.117 2.039 ( 0.866 -4.927 -2.106) 5.428 2.110 ( -1.646 -4.684 5.677) 7.542 2.284 ( 2.447 8.218 -4.263) 9.576 2.399 ( -5.296 -2.446 -11.994) 13.337 2.486 ( 3.940 1.939 -1.632) 4.685 2.595 ( 1.785 1.711 4.981) 5.561 2.763 ( -1.970 4.275 -1.208) 4.859 2.797 ( 4.051 -3.830 -0.879) 5.644 2.911 ( 2.058 -2.544 3.475) 4.773 2.923 ( -0.041 -0.964 7.285) 7.349 2.999 ( 0.439 -0.968 1.749) 2.047 3.019 ( -0.982 -0.068 -0.577) 1.141 3.140 ( 1.560 -0.130 1.957) 2.506 3.257 ( 0.514 -7.176 3.903) 8.185 3.313 ( 0.734 3.087 -4.258) 5.311 3.550 ( -4.598 -4.436 3.006) 7.061 3.631 ( -1.280 3.626 0.596) 3.891 3.676 ( -2.851 -3.856 -1.378) 4.989 3.881 ( -3.260 2.925 -2.284) 4.940 3.920 ( 1.807 -0.502 3.085) 3.611 3.984 ( 1.352 0.285 0.177) 1.393 4.018 ( 0.545 -0.523 -0.191) 0.779 4.102 ( 2.859 2.613 -0.177) 3.877 4.292 ( -1.247 -1.320 0.328) 1.846 4.328 ( -0.588 2.774 -3.365) 4.400 4.354 ( 3.259 -2.319 -1.092) 4.147 4.463 ( -0.434 0.139 -0.984) 1.084 4.539 ( -3.232 0.273 1.694) 3.659 4.611 ( -0.952 1.490 1.877) 2.579 4.672 ( -0.356 -2.822 0.914) 2.987 4.720 ( -1.317 1.021 -1.974) 2.583 4.753 ( -1.855 -4.745 2.144) 5.527 5.135 ( 5.972 4.264 -5.775) 9.338 5.349 ( 1.586 0.962 -0.074) 1.857 5.492 ( 3.151 2.618 3.827) 5.606 5.711 ( -2.666 -1.711 3.608) 4.802 5.911 ( 2.083 0.532 -5.393) 5.806 6.005 ( 0.245 -0.273 -0.145) 0.394 11.828 ( -2.951 1.468 -0.950) 3.430 11.990 ( 2.354 -2.331 2.810) 4.344 12.172 ( 0.342 -4.068 3.568) 5.422 12.276 ( 2.309 -2.754 -0.227) 3.601 12.908 ( -3.162 1.138 1.493) 3.678 13.438 ( 8.512 16.586 -3.348) 18.941 14.273 ( -11.129 3.062 -7.206) 13.608 14.429 ( 1.747 -1.731 1.762) 3.026 15.075 ( 5.578 -19.592 3.544) 20.677 15.415 ( 2.637 1.009 -5.499) 6.182 16.790 ( -6.629 1.689 -1.045) 6.920 17.032 ( 0.080 -0.991 -0.833) 1.296 ======================= Grid point 139 (74/89) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -18.120 -0.000 10.571) 20.978 1.610 ( -11.396 -0.000 8.220) 14.051 1.863 ( 5.166 0.000 0.791) 5.226 1.866 ( -0.309 -0.000 -1.518) 1.549 2.046 ( 0.393 0.000 9.590) 9.598 2.067 ( -2.210 -0.000 3.404) 4.058 2.309 ( -7.405 -0.000 -8.919) 11.592 2.473 ( 5.416 0.000 0.775) 5.471 2.552 ( 4.610 0.000 -3.792) 5.969 2.632 ( 0.090 0.000 3.038) 3.039 2.653 ( 0.884 0.000 2.045) 2.228 2.842 ( -5.249 -0.000 11.976) 13.076 2.887 ( 4.234 0.000 -5.028) 6.574 2.933 ( -0.993 -0.000 -0.219) 1.017 2.939 ( 1.569 0.000 -0.473) 1.639 3.071 ( -1.583 -0.000 2.473) 2.937 3.079 ( 2.126 0.000 4.302) 4.799 3.192 ( -2.138 -0.000 1.514) 2.620 3.352 ( -2.435 -0.000 -11.193) 11.455 3.390 ( -0.614 -0.000 3.281) 3.338 3.510 ( -0.637 -0.000 -2.518) 2.597 3.706 ( 2.950 0.000 -5.302) 6.068 3.874 ( -5.126 -0.000 -0.992) 5.221 3.950 ( 2.615 0.000 1.962) 3.269 3.996 ( 1.232 0.000 -5.815) 5.944 4.123 ( 0.203 0.000 5.223) 5.227 4.173 ( 1.586 0.000 5.156) 5.394 4.276 ( 0.447 0.000 -1.740) 1.796 4.341 ( -1.499 -0.000 5.147) 5.361 4.366 ( -4.127 -0.000 2.175) 4.665 4.405 ( 0.727 0.000 0.744) 1.040 4.468 ( -0.385 -0.000 -0.970) 1.044 4.530 ( -2.480 -0.000 3.787) 4.527 4.726 ( -0.363 -0.000 -1.997) 2.030 4.728 ( -1.090 -0.000 1.973) 2.254 4.752 ( -0.163 -0.000 -4.902) 4.905 5.220 ( 7.153 0.000 -4.725) 8.572 5.333 ( 3.593 0.000 -6.282) 7.237 5.583 ( -1.369 -0.000 12.376) 12.451 5.681 ( 0.968 0.000 -3.020) 3.171 5.942 ( 2.381 0.000 -2.586) 3.515 5.982 ( 1.162 0.000 -1.283) 1.731 11.865 ( -0.777 -0.000 -1.740) 1.905 11.911 ( 2.014 0.000 0.940) 2.222 12.060 ( -3.512 -0.000 -5.999) 6.952 12.139 ( 5.311 0.000 4.218) 6.783 13.192 ( -0.099 -0.000 15.053) 15.053 13.947 ( 5.860 0.000 -10.797) 12.285 14.222 ( -4.149 -0.000 -5.441) 6.843 14.237 ( 6.747 0.000 7.251) 9.905 14.612 ( -3.959 -0.000 8.382) 9.270 15.469 ( 3.176 0.000 -21.786) 22.017 16.766 ( -7.677 -0.000 6.296) 9.928 17.008 ( -3.310 -0.000 -2.073) 3.905 ======================= Grid point 140 (75/89) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -13.350 -3.918 14.714) 20.250 1.505 ( -8.130 -3.599 9.314) 12.876 1.843 ( 0.308 2.782 -2.905) 4.035 1.951 ( 1.182 -1.387 2.566) 3.147 2.024 ( 1.945 1.019 2.762) 3.529 2.079 ( 1.967 -1.874 1.263) 2.996 2.226 ( -8.646 -2.937 -9.073) 12.873 2.465 ( 3.434 6.910 -3.562) 8.499 2.558 ( 0.189 2.549 4.502) 5.177 2.656 ( 4.003 0.476 3.079) 5.072 2.716 ( -0.283 -4.976 0.456) 5.005 2.832 ( -2.695 -5.426 6.829) 9.129 2.862 ( -1.816 3.905 1.225) 4.477 2.910 ( -0.924 0.060 -0.787) 1.215 2.984 ( 1.274 -1.304 0.161) 1.830 3.039 ( -0.542 2.568 0.792) 2.742 3.084 ( -3.937 -2.148 0.914) 4.578 3.204 ( 3.889 -3.027 7.415) 8.903 3.337 ( 0.127 0.477 -9.482) 9.495 3.413 ( -2.304 -4.141 6.497) 8.042 3.569 ( 1.207 -4.428 -4.848) 6.675 3.729 ( 1.881 1.808 -1.155) 2.853 3.795 ( -5.249 0.601 -2.413) 5.809 3.980 ( 1.216 1.124 2.483) 2.984 4.042 ( 2.626 0.046 -4.773) 5.448 4.053 ( 0.766 2.821 3.260) 4.378 4.173 ( 2.631 1.521 -1.207) 3.270 4.261 ( -1.806 2.046 2.305) 3.573 4.314 ( -0.460 -1.231 -0.542) 1.421 4.405 ( 0.558 -1.181 0.067) 1.308 4.419 ( -0.124 -2.895 1.159) 3.121 4.483 ( -0.575 -1.533 0.280) 1.661 4.524 ( -3.328 -4.047 3.999) 6.591 4.669 ( -2.884 4.132 -2.499) 5.625 4.688 ( -3.120 0.893 -0.968) 3.386 4.748 ( -0.408 -0.246 -0.763) 0.899 5.281 ( 6.524 3.547 -4.228) 8.545 5.381 ( 2.286 -0.649 -2.745) 3.631 5.560 ( 0.188 1.277 10.658) 10.735 5.700 ( 2.438 0.901 -4.381) 5.094 5.950 ( 1.417 1.148 -1.954) 2.673 6.001 ( 0.300 -0.179 0.580) 0.677 11.836 ( -0.549 1.866 -0.555) 2.023 11.949 ( -0.560 -2.338 2.123) 3.207 12.110 ( -0.973 -7.493 -6.096) 9.709 12.196 ( 1.609 -2.634 0.480) 3.124 13.084 ( 4.693 14.029 12.906) 19.632 13.834 ( 6.178 17.078 -6.165) 19.179 14.145 ( -5.703 -2.711 -6.814) 9.290 14.403 ( -2.971 -0.900 4.430) 5.409 14.785 ( 5.985 -22.010 6.700) 23.773 15.473 ( 1.162 2.332 -14.259) 14.495 16.699 ( -6.228 -2.867 2.746) 7.386 16.973 ( -3.899 -1.917 -2.199) 4.869 ======================= Grid point 146 (76/89) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -5.520 -0.000 19.082) 19.865 1.352 ( -7.930 -0.000 12.849) 15.099 1.893 ( 2.247 0.000 -6.659) 7.028 1.912 ( -4.538 -0.000 -3.961) 6.024 2.048 ( 0.537 0.000 5.397) 5.424 2.108 ( 2.006 0.000 2.787) 3.434 2.142 ( 2.022 0.000 -12.164) 12.331 2.484 ( -9.206 -0.000 16.787) 19.145 2.586 ( -3.174 -0.000 -5.961) 6.753 2.682 ( -0.735 -0.000 5.629) 5.677 2.701 ( 3.778 0.000 1.220) 3.970 2.741 ( 3.842 0.000 1.628) 4.172 2.844 ( -8.941 -0.000 0.625) 8.963 2.878 ( -3.015 -0.000 0.285) 3.028 2.990 ( -1.151 -0.000 -4.088) 4.247 2.995 ( 1.146 0.000 -0.242) 1.172 3.112 ( 3.721 0.000 0.897) 3.827 3.243 ( 4.861 0.000 9.221) 10.424 3.360 ( 1.626 0.000 -8.069) 8.232 3.377 ( 2.196 0.000 5.866) 6.263 3.563 ( 3.634 0.000 -5.187) 6.334 3.698 ( -3.696 -0.000 0.762) 3.774 3.793 ( -1.279 -0.000 -3.745) 3.957 3.942 ( -5.939 -0.000 -1.624) 6.157 4.085 ( 1.123 0.000 8.266) 8.342 4.128 ( 8.389 0.000 -11.609) 14.323 4.210 ( 1.080 0.000 -0.613) 1.242 4.276 ( -2.793 -0.000 0.412) 2.824 4.295 ( 0.924 0.000 0.529) 1.065 4.334 ( 2.124 0.000 5.310) 5.720 4.433 ( -4.247 -0.000 4.583) 6.248 4.469 ( 1.430 0.000 -1.912) 2.388 4.472 ( 0.743 0.000 -2.733) 2.832 4.608 ( -7.274 -0.000 -2.575) 7.717 4.709 ( -0.773 -0.000 2.169) 2.303 4.719 ( -2.302 -0.000 -2.843) 3.658 5.375 ( 0.027 0.000 -0.678) 0.678 5.404 ( 5.168 0.000 -4.973) 7.172 5.560 ( -1.212 -0.000 12.457) 12.516 5.758 ( 4.188 0.000 -6.957) 8.121 5.968 ( 0.028 0.000 1.664) 1.664 6.015 ( 1.205 0.000 0.718) 1.402 11.865 ( 1.032 0.000 0.308) 1.077 11.919 ( -1.473 -0.000 0.980) 1.769 12.004 ( -0.708 -0.000 -6.443) 6.482 12.189 ( -1.954 -0.000 -0.402) 1.995 13.337 ( 10.762 0.000 13.319) 17.124 13.994 ( 0.159 0.000 -13.445) 13.445 14.118 ( -3.271 -0.000 -3.168) 4.554 14.337 ( -5.067 -0.000 5.402) 7.407 14.654 ( 9.422 0.000 11.860) 15.147 15.495 ( -1.420 -0.000 -18.225) 18.280 16.579 ( -5.561 -0.000 6.991) 8.933 16.901 ( -4.277 -0.000 -4.505) 6.212 ======================= Grid point 147 (77/89) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.204 -0.000 -6.940) 6.943 1.539 ( 0.204 0.000 6.940) 6.943 1.663 ( -2.617 -0.000 -11.294) 11.593 1.663 ( 2.617 0.000 11.294) 11.593 2.090 ( 5.432 0.000 -4.887) 7.306 2.090 ( -5.432 -0.000 4.887) 7.306 2.261 ( -5.295 -0.000 -3.183) 6.178 2.261 ( 5.295 0.000 3.183) 6.178 2.661 ( 2.453 0.000 -14.591) 14.796 2.661 ( -2.453 -0.000 14.591) 14.796 2.707 ( 2.384 0.000 -1.946) 3.078 2.707 ( -2.384 -0.000 1.946) 3.078 2.854 ( -0.584 -0.000 -1.185) 1.321 2.854 ( 0.584 0.000 1.185) 1.321 2.964 ( 5.942 0.000 -5.160) 7.869 2.964 ( -5.942 -0.000 5.160) 7.869 3.237 ( -3.045 -0.000 -2.885) 4.194 3.237 ( 3.045 0.000 2.885) 4.194 3.492 ( 3.114 0.000 -7.441) 8.066 3.492 ( -3.114 -0.000 7.441) 8.066 3.644 ( -5.435 -0.000 -1.587) 5.662 3.644 ( 5.435 0.000 1.587) 5.662 3.713 ( -7.747 -0.000 0.994) 7.810 3.713 ( 7.747 0.000 -0.994) 7.810 4.152 ( 3.927 0.000 -4.883) 6.266 4.152 ( -3.927 -0.000 4.883) 6.266 4.230 ( 1.679 0.000 -0.573) 1.774 4.230 ( -1.679 -0.000 0.573) 1.774 4.383 ( -3.044 -0.000 0.154) 3.048 4.383 ( 3.044 0.000 -0.154) 3.048 4.445 ( 1.909 0.000 -2.551) 3.186 4.445 ( -1.909 -0.000 2.551) 3.186 4.458 ( -1.513 -0.000 -1.043) 1.838 4.458 ( 1.513 0.000 1.043) 1.838 4.682 ( -2.737 -0.000 0.563) 2.795 4.682 ( 2.737 0.000 -0.563) 2.795 5.386 ( 0.050 0.000 -1.615) 1.616 5.386 ( -0.050 -0.000 1.615) 1.616 5.710 ( 3.685 0.000 -8.644) 9.397 5.710 ( -3.685 -0.000 8.644) 9.397 6.023 ( -0.282 -0.000 -1.615) 1.640 6.023 ( 0.282 0.000 1.615) 1.640 11.889 ( 2.311 0.000 -2.519) 3.419 11.889 ( -2.311 -0.000 2.519) 3.419 12.024 ( -5.689 -0.000 -1.933) 6.008 12.024 ( 5.689 0.000 1.933) 6.008 13.746 ( -1.807 -0.000 -10.682) 10.834 13.746 ( 1.807 0.000 10.682) 10.834 14.156 ( -9.732 -0.000 1.587) 9.860 14.156 ( 9.732 0.000 -1.587) 9.860 15.131 ( -5.267 -0.000 -12.868) 13.904 15.131 ( 5.267 0.000 12.868) 13.904 16.682 ( -2.239 -0.000 -7.204) 7.544 16.682 ( 2.239 0.000 7.204) 7.544 ======================= Grid point 149 (78/89) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.517 -4.579 -11.027) 12.203 1.597 ( 0.589 -6.224 -8.653) 10.675 1.697 ( 1.792 -2.741 6.215) 7.025 1.759 ( 2.782 -5.665 11.824) 13.403 2.005 ( -4.318 1.985 5.543) 7.301 2.139 ( 4.757 1.703 -9.383) 10.657 2.213 ( -1.446 -0.639 -2.755) 3.176 2.302 ( 5.758 4.910 4.446) 8.776 2.628 ( -3.052 0.868 6.243) 7.003 2.656 ( -0.903 1.351 3.271) 3.652 2.731 ( 4.791 -0.948 -1.624) 5.147 2.780 ( 4.998 -1.639 -0.195) 5.264 2.831 ( -3.101 0.269 -0.841) 3.225 2.865 ( 0.786 -2.257 0.373) 2.419 2.933 ( -3.565 -4.323 4.599) 7.249 3.051 ( 2.118 -3.039 -3.803) 5.309 3.172 ( -3.790 1.763 -3.738) 5.608 3.235 ( 0.548 1.998 3.034) 3.674 3.463 ( -1.541 -1.081 -1.701) 2.538 3.514 ( -0.802 -0.951 -4.035) 4.223 3.586 ( -4.339 -1.085 -0.790) 4.542 3.667 ( -4.069 -2.336 3.477) 5.840 3.706 ( 3.705 -0.003 -1.023) 3.843 3.860 ( 6.845 -3.893 2.451) 8.247 4.042 ( -4.595 1.677 4.683) 6.771 4.139 ( 3.276 4.047 -5.263) 7.403 4.226 ( -3.867 -2.823 1.926) 5.161 4.297 ( -1.623 1.482 -0.366) 2.228 4.358 ( 0.236 1.957 -3.998) 4.458 4.395 ( -0.277 2.015 -0.379) 2.069 4.440 ( 6.237 -2.395 -1.276) 6.801 4.460 ( 3.327 1.300 -0.132) 3.575 4.466 ( -1.644 -2.787 1.545) 3.586 4.539 ( 3.416 -4.777 -3.570) 6.873 4.651 ( -0.487 0.880 -0.319) 1.056 4.706 ( 2.895 1.615 -0.038) 3.315 5.333 ( -4.539 2.985 3.644) 6.542 5.378 ( -1.047 0.100 1.649) 1.956 5.653 ( -3.909 1.016 8.026) 8.985 5.742 ( 2.542 0.722 -8.949) 9.331 5.984 ( -1.881 2.934 0.655) 3.546 6.013 ( 0.283 1.138 -0.055) 1.174 11.880 ( -3.612 -0.490 -0.489) 3.678 11.953 ( 0.845 -5.175 5.249) 7.419 11.992 ( -1.665 -4.381 -2.629) 5.374 12.099 ( 5.175 -0.962 2.010) 5.635 13.528 ( -7.246 16.447 -11.980) 21.599 13.649 ( 2.151 12.402 12.340) 17.627 14.088 ( -4.675 -1.443 -0.627) 4.932 14.303 ( 10.867 -0.336 -3.651) 11.469 15.142 ( -7.366 -11.116 -5.530) 14.437 15.252 ( 0.874 -8.059 7.687) 11.171 16.677 ( -0.757 -0.821 -2.146) 2.419 16.784 ( 6.312 -5.172 1.282) 8.260 ======================= Grid point 150 (79/89) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.549 -5.307 -8.342) 10.008 1.709 ( 0.120 -3.948 -6.416) 7.534 1.753 ( 1.008 -2.807 0.345) 3.003 1.865 ( 0.275 -1.962 15.706) 15.830 1.970 ( 0.993 -3.077 5.736) 6.585 2.168 ( 3.792 2.094 -15.349) 15.948 2.234 ( 0.581 -1.511 -2.834) 3.264 2.251 ( 2.733 5.472 4.023) 7.321 2.523 ( -5.143 5.092 5.504) 9.092 2.642 ( 0.140 -0.820 4.815) 4.886 2.736 ( -5.757 0.373 -0.623) 5.803 2.828 ( 4.641 0.613 -0.408) 4.699 2.875 ( 5.225 -1.333 -0.493) 5.415 2.975 ( 0.819 -3.582 0.450) 3.702 3.000 ( 1.002 -6.966 4.895) 8.573 3.079 ( -0.843 0.845 -0.601) 1.336 3.126 ( 0.145 -1.946 -2.182) 2.928 3.219 ( -0.090 1.247 0.794) 1.481 3.466 ( -4.879 -3.777 -5.083) 7.994 3.538 ( 0.623 -1.278 -0.888) 1.676 3.578 ( -0.322 -3.008 1.356) 3.315 3.656 ( -1.875 -0.577 2.606) 3.262 3.749 ( 3.417 -0.161 -1.989) 3.957 3.938 ( 1.325 0.041 3.184) 3.449 4.025 ( -1.015 -2.096 0.165) 2.334 4.131 ( 2.145 2.323 -4.291) 5.330 4.180 ( -4.498 3.972 -0.455) 6.018 4.206 ( -1.927 1.811 3.810) 4.638 4.290 ( -0.943 4.231 -3.638) 5.659 4.407 ( 1.729 -1.644 -1.447) 2.791 4.456 ( 3.624 3.044 1.035) 4.845 4.470 ( -1.931 -1.744 1.101) 2.825 4.603 ( 3.749 -2.927 -2.477) 5.362 4.638 ( 0.575 0.379 -0.139) 0.703 4.691 ( 3.714 -4.107 -4.164) 6.928 4.721 ( 3.565 -3.455 -1.371) 5.150 5.181 ( -6.843 5.860 6.116) 10.889 5.360 ( -0.999 0.303 1.733) 2.023 5.579 ( -3.060 2.417 5.400) 6.661 5.763 ( 2.439 0.002 -8.602) 8.941 5.895 ( -3.103 3.410 3.187) 5.605 6.006 ( 0.597 0.387 -0.257) 0.757 11.815 ( -2.986 1.528 -0.311) 3.369 12.058 ( 1.936 -1.879 0.909) 2.847 12.094 ( -0.025 -8.822 1.840) 9.012 12.218 ( 2.886 -7.749 3.955) 9.166 13.131 ( -6.325 18.237 -12.539) 23.018 13.449 ( 2.182 13.437 10.273) 17.054 14.058 ( -3.270 -1.316 -1.037) 3.675 14.423 ( 5.977 -0.764 -2.901) 6.687 15.262 ( -3.274 -9.557 1.238) 10.178 15.378 ( -0.818 -6.543 0.017) 6.593 16.681 ( -0.405 -0.481 -0.039) 0.630 16.956 ( 4.983 -5.019 0.009) 7.072 ======================= Grid point 151 (80/89) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 -0.000 -0.000) 0.000 1.742 ( 0.000 -0.000 -0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 -0.000) 0.000 2.063 ( 0.000 -0.000 -0.000) 0.000 2.114 ( 0.000 0.000 -0.000) 0.000 2.224 ( -0.000 -0.000 -0.000) 0.000 2.297 ( -0.000 0.000 0.000) 0.000 2.410 ( 0.000 -0.000 -0.000) 0.000 2.661 ( -0.000 0.000 -0.000) 0.000 2.678 ( 0.000 -0.000 0.000) 0.000 2.857 ( 0.000 -0.000 -0.000) 0.000 2.925 ( -0.000 -0.000 -0.000) 0.000 2.980 ( 0.000 0.000 -0.000) 0.000 3.067 ( 0.000 -0.000 -0.000) 0.000 3.092 ( 0.000 -0.000 -0.000) 0.000 3.165 ( 0.000 -0.000 0.000) 0.000 3.203 ( -0.000 0.000 -0.000) 0.000 3.470 ( -0.000 -0.000 -0.000) 0.000 3.555 ( 0.000 0.000 -0.000) 0.000 3.599 ( 0.000 -0.000 0.000) 0.000 3.666 ( 0.000 0.000 -0.000) 0.000 3.795 ( 0.000 -0.000 -0.000) 0.000 3.957 ( -0.000 -0.000 -0.000) 0.000 3.981 ( 0.000 -0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.150 ( -0.000 -0.000 -0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 -0.000 -0.000) 0.000 4.435 ( 0.000 0.000 -0.000) 0.000 4.464 ( 0.000 0.000 -0.000) 0.000 4.465 ( -0.000 -0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 -0.000 -0.000) 0.000 4.705 ( 0.000 -0.000 -0.000) 0.000 4.882 ( 0.000 0.000 -0.000) 0.000 5.029 ( 0.000 -0.000 -0.000) 0.000 5.350 ( -0.000 -0.000 -0.000) 0.000 5.529 ( 0.000 -0.000 -0.000) 0.000 5.807 ( -0.000 0.000 0.000) 0.000 5.815 ( 0.000 -0.000 -0.000) 0.000 6.008 ( 0.000 -0.000 -0.000) 0.000 11.780 ( 0.000 -0.000 -0.000) 0.000 12.086 ( 0.000 -0.000 -0.000) 0.000 12.176 ( 0.000 -0.000 -0.000) 0.000 12.353 ( 0.000 -0.000 -0.000) 0.000 12.887 ( 0.000 -0.000 -0.000) 0.000 13.338 ( 0.000 -0.000 -0.000) 0.000 14.049 ( 0.000 -0.000 -0.000) 0.000 14.469 ( 0.000 -0.000 -0.000) 0.000 15.324 ( 0.000 -0.000 -0.000) 0.000 15.431 ( 0.000 -0.000 -0.000) 0.000 16.682 ( 0.000 -0.000 -0.000) 0.000 17.034 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 156 (81/89) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.900 0.000 -13.933) 14.062 1.569 ( 4.032 0.000 -9.188) 10.034 1.736 ( 2.463 0.000 9.326) 9.645 1.772 ( 8.793 0.000 11.921) 14.813 1.973 ( -3.532 -0.000 0.878) 3.640 2.169 ( -1.896 -0.000 -3.644) 4.107 2.202 ( 2.982 0.000 -9.047) 9.525 2.433 ( 5.083 0.000 7.769) 9.284 2.607 ( -2.824 -0.000 0.761) 2.924 2.642 ( -2.011 -0.000 11.771) 11.941 2.795 ( -3.863 -0.000 -3.203) 5.018 2.805 ( 4.307 0.000 6.805) 8.054 2.840 ( 6.774 0.000 -4.857) 8.335 2.843 ( 0.378 0.000 1.861) 1.899 2.883 ( 3.421 0.000 1.473) 3.725 3.022 ( -1.534 -0.000 -3.248) 3.592 3.126 ( -4.077 -0.000 -0.303) 4.088 3.230 ( -3.457 -0.000 3.519) 4.933 3.408 ( -8.036 -0.000 -4.723) 9.321 3.475 ( 3.287 0.000 -3.989) 5.169 3.509 ( -4.908 -0.000 -1.491) 5.129 3.690 ( 3.964 0.000 2.849) 4.882 3.742 ( 1.224 0.000 -0.898) 1.518 3.900 ( 5.352 0.000 2.246) 5.804 3.977 ( -5.238 -0.000 3.208) 6.143 4.166 ( -0.346 -0.000 0.927) 0.989 4.266 ( 0.693 0.000 0.837) 1.087 4.292 ( 1.714 0.000 -6.722) 6.937 4.325 ( -0.420 -0.000 -1.023) 1.106 4.410 ( -0.445 -0.000 -2.307) 2.350 4.455 ( 1.016 0.000 -0.903) 1.359 4.476 ( 1.590 0.000 -5.248) 5.483 4.528 ( 4.190 0.000 -4.895) 6.444 4.538 ( 4.604 0.000 4.538) 6.464 4.674 ( 2.048 0.000 1.514) 2.546 4.753 ( 1.739 0.000 -2.288) 2.874 5.305 ( -6.157 -0.000 5.072) 7.977 5.319 ( -4.926 -0.000 5.719) 7.548 5.623 ( -1.884 -0.000 5.680) 5.984 5.769 ( 1.128 0.000 -8.448) 8.523 5.994 ( -1.992 -0.000 -0.949) 2.206 6.002 ( -2.030 -0.000 2.175) 2.975 11.832 ( -1.786 -0.000 4.117) 4.488 11.919 ( -1.729 -0.000 1.367) 2.204 11.929 ( 0.568 0.000 -0.043) 0.570 12.163 ( 4.115 0.000 1.951) 4.554 13.579 ( -8.325 -0.000 -11.604) 14.281 13.735 ( -1.206 -0.000 12.848) 12.904 14.083 ( 1.941 0.000 -0.021) 1.941 14.477 ( 12.198 0.000 -9.393) 15.395 14.871 ( -13.410 -0.000 -9.491) 16.429 15.163 ( -1.977 -0.000 15.904) 16.026 16.722 ( 5.079 0.000 -7.552) 9.101 16.810 ( 6.463 0.000 4.859) 8.086 ======================= Grid point 157 (82/89) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 6.738 -2.241 -9.599) 11.940 1.672 ( 4.911 -3.978 -5.526) 8.395 1.779 ( 4.547 0.373 1.070) 4.686 1.883 ( 3.208 0.803 12.925) 13.341 1.962 ( 4.555 -2.061 1.060) 5.111 2.181 ( -0.131 -2.415 -2.761) 3.670 2.230 ( 2.495 0.399 -11.491) 11.766 2.385 ( -0.784 7.471 4.426) 8.719 2.562 ( -3.287 4.257 4.376) 6.934 2.635 ( 0.852 -0.471 5.085) 5.177 2.691 ( -2.927 1.284 0.524) 3.239 2.804 ( -5.082 -3.240 4.464) 7.500 2.915 ( 1.590 -2.457 -0.530) 2.974 2.923 ( -0.363 -2.016 2.390) 3.148 2.982 ( 7.360 -0.209 1.429) 7.501 3.064 ( 0.961 -3.696 -2.158) 4.386 3.082 ( 2.164 -0.124 -0.268) 2.184 3.200 ( -2.648 -1.272 2.714) 3.999 3.327 ( -6.690 -2.570 -3.310) 7.894 3.474 ( -3.177 -3.279 1.842) 4.923 3.563 ( 5.219 -3.132 -6.560) 8.949 3.668 ( -2.986 1.939 2.284) 4.230 3.789 ( 5.189 -0.641 -0.950) 5.314 3.936 ( -0.961 -0.203 2.227) 2.434 3.982 ( 0.893 -2.168 0.938) 2.525 4.153 ( -2.013 0.499 0.695) 2.187 4.222 ( -0.550 5.903 -4.333) 7.343 4.247 ( 1.868 1.658 1.016) 2.696 4.358 ( -0.317 2.645 -3.038) 4.040 4.399 ( -0.421 0.100 -0.028) 0.434 4.446 ( 0.379 0.335 -2.052) 2.113 4.539 ( 2.940 0.306 -2.056) 3.601 4.591 ( 4.202 -3.923 -0.541) 5.774 4.628 ( 2.996 -4.267 -4.000) 6.571 4.685 ( 2.158 1.181 -0.498) 2.511 4.750 ( 0.024 1.580 -0.527) 1.666 5.171 ( -6.982 3.854 6.266) 10.143 5.282 ( -6.157 -2.635 7.043) 9.719 5.604 ( 0.778 1.802 2.143) 2.906 5.782 ( 1.241 -0.434 -8.078) 8.185 5.913 ( -3.716 3.751 2.015) 5.651 5.994 ( -1.884 -1.041 1.177) 2.453 11.816 ( -0.750 0.869 1.430) 1.834 11.959 ( 1.582 -6.377 5.492) 8.563 11.985 ( -0.887 -5.623 0.948) 5.771 12.200 ( 1.810 -0.591 0.485) 1.965 13.335 ( -5.537 15.208 -12.425) 20.404 13.648 ( -3.087 10.658 11.584) 16.041 14.071 ( 3.101 1.327 1.073) 3.539 14.550 ( 5.991 3.950 -10.497) 12.715 14.915 ( -7.704 -18.763 -5.891) 21.121 15.206 ( -3.987 -7.823 12.623) 15.376 16.761 ( 6.427 3.262 -2.785) 7.726 16.941 ( 5.033 -4.362 0.678) 6.695 ======================= Grid point 158 (83/89) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 6.146 -0.534 -2.340) 6.598 1.787 ( 3.206 1.093 2.011) 3.939 1.813 ( 7.097 -1.051 -10.458) 12.682 1.920 ( 4.587 1.532 4.634) 6.697 2.049 ( 2.027 -0.957 5.659) 6.087 2.154 ( -3.065 4.809 -0.155) 5.705 2.222 ( -3.053 3.224 0.190) 4.444 2.314 ( 2.380 0.873 -3.716) 4.498 2.427 ( -1.591 1.790 -0.710) 2.498 2.676 ( 0.680 0.696 -1.748) 2.001 2.692 ( 4.904 -2.082 4.614) 7.048 2.784 ( -6.615 -2.932 2.007) 7.509 2.933 ( -1.091 -1.458 4.232) 4.607 2.957 ( -0.253 -1.322 0.143) 1.354 3.022 ( -1.938 -0.815 -2.361) 3.162 3.069 ( -0.531 -1.084 -2.544) 2.816 3.163 ( -0.404 -0.232 3.799) 3.828 3.184 ( -0.951 -0.369 0.094) 1.024 3.370 ( -0.529 -8.018 -4.517) 9.217 3.534 ( -1.305 -4.638 4.119) 6.339 3.620 ( 1.220 0.980 0.563) 1.663 3.684 ( 4.949 -2.427 -2.055) 5.883 3.855 ( 3.137 3.264 0.010) 4.527 3.932 ( -0.123 -2.825 -0.323) 2.847 3.978 ( -1.604 1.665 0.647) 2.401 4.110 ( -1.903 0.068 -2.515) 3.155 4.128 ( 0.016 3.504 -1.840) 3.957 4.250 ( 2.398 2.992 1.191) 4.015 4.284 ( 0.511 4.234 0.970) 4.373 4.375 ( -3.527 -0.850 -2.117) 4.201 4.446 ( 0.119 0.581 0.708) 0.923 4.556 ( 4.347 1.602 0.505) 4.660 4.651 ( 2.099 -0.120 -2.584) 3.332 4.679 ( -2.147 -0.126 -0.191) 2.159 4.685 ( -1.143 3.294 1.331) 3.732 4.826 ( 1.896 -7.649 -3.133) 8.480 5.040 ( -2.186 2.624 2.030) 3.974 5.254 ( -6.255 -4.061 6.920) 10.173 5.587 ( 3.077 2.659 -3.752) 5.533 5.802 ( -4.172 2.782 5.232) 7.247 5.824 ( 2.810 -1.330 -6.554) 7.254 5.986 ( -2.135 -1.037 1.750) 2.949 11.806 ( 2.291 0.976 1.261) 2.791 12.028 ( -3.150 -3.053 -0.942) 4.487 12.139 ( 2.459 -8.038 6.320) 10.516 12.268 ( 0.243 -6.458 0.273) 6.468 13.027 ( -0.329 14.563 -9.964) 17.649 13.364 ( -8.044 10.735 4.486) 14.144 14.147 ( 9.046 1.447 4.706) 10.299 14.524 ( 1.008 4.488 -7.907) 9.147 15.152 ( -4.240 -16.632 -3.857) 17.592 15.280 ( -5.856 -8.587 7.924) 13.070 16.787 ( 7.302 4.290 -0.589) 8.489 17.028 ( 0.399 -1.092 -0.491) 1.262 ======================= Grid point 159 (84/89) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.484 3.986 -2.678) 6.570 1.784 ( 2.278 2.549 6.090) 6.984 1.876 ( 4.645 8.200 -1.229) 9.504 1.930 ( 6.013 1.379 -8.132) 10.207 2.011 ( -3.423 4.020 -0.329) 5.290 2.095 ( 0.328 -4.055 6.259) 7.465 2.127 ( -5.669 2.015 0.958) 6.093 2.235 ( -5.022 1.992 2.307) 5.874 2.526 ( 5.843 -4.468 -6.528) 9.835 2.657 ( -1.851 0.281 -2.780) 3.351 2.744 ( -2.470 -0.156 4.105) 4.793 2.815 ( 7.203 -1.096 1.771) 7.498 2.857 ( -4.770 3.762 -0.717) 6.117 2.994 ( -4.750 0.997 0.477) 4.877 3.031 ( 2.582 -4.311 1.473) 5.236 3.064 ( -0.873 -1.972 -0.600) 2.238 3.133 ( -1.058 2.388 -1.770) 3.155 3.179 ( -1.995 -1.028 0.382) 2.277 3.504 ( 2.288 -5.337 -4.626) 7.424 3.563 ( -1.216 -0.826 4.031) 4.291 3.609 ( 1.639 3.600 1.362) 4.184 3.706 ( -4.239 2.417 0.299) 4.889 3.789 ( 7.503 4.732 -0.268) 8.875 3.930 ( -2.570 1.947 -1.316) 3.483 4.032 ( 0.851 -2.702 1.095) 3.037 4.076 ( -2.698 -0.941 -1.683) 3.316 4.152 ( 4.364 -3.138 0.852) 5.442 4.220 ( 1.713 -0.036 -1.858) 2.527 4.289 ( 1.794 -0.670 2.852) 3.435 4.348 ( -4.363 -2.474 -1.194) 5.156 4.432 ( 1.133 2.107 0.504) 2.445 4.542 ( -3.567 5.679 1.240) 6.820 4.601 ( 1.307 0.049 -0.049) 1.309 4.660 ( -0.785 0.666 -1.937) 2.194 4.669 ( 1.545 2.280 -0.233) 2.764 4.776 ( -5.316 6.377 4.978) 9.680 5.145 ( 5.574 -7.784 -6.121) 11.363 5.273 ( -4.521 -6.326 4.664) 9.066 5.614 ( 4.769 0.093 -7.958) 9.278 5.725 ( -3.866 0.401 8.177) 9.054 5.891 ( 3.327 -1.887 -4.186) 5.670 5.972 ( -2.636 -1.052 2.119) 3.542 11.851 ( 5.108 -0.526 1.338) 5.306 12.001 ( -5.542 -1.030 -1.592) 5.858 12.223 ( 2.888 2.833 5.575) 6.888 12.306 ( -3.059 3.457 -5.971) 7.547 12.981 ( 6.837 -6.537 4.855) 10.632 13.198 ( -8.734 -5.474 -5.374) 11.625 14.212 ( 9.771 5.413 4.396) 12.004 14.417 ( -4.812 5.556 -4.066) 8.400 15.303 ( -0.571 -5.438 -3.800) 6.659 15.349 ( -4.238 -6.627 5.126) 9.389 16.801 ( 7.422 5.616 0.009) 9.307 16.972 ( -4.905 4.320 -0.573) 6.561 ======================= Grid point 160 (85/89) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -0.547 6.954 -11.041) 13.060 1.686 ( 0.547 6.954 11.041) 13.060 1.837 ( -1.788 7.609 -11.683) 14.057 1.837 ( 1.788 7.609 11.683) 14.057 2.031 ( 4.436 -1.620 -8.860) 10.040 2.031 ( -4.436 -1.620 8.860) 10.040 2.193 ( -0.346 -3.485 -0.881) 3.611 2.193 ( 0.346 -3.485 0.881) 3.611 2.641 ( -1.607 -1.498 -3.813) 4.401 2.641 ( 1.607 -1.498 3.813) 4.401 2.738 ( -3.580 1.280 -3.123) 4.920 2.738 ( 3.580 1.280 3.123) 4.920 2.889 ( -2.333 2.695 -1.916) 4.047 2.889 ( 2.333 2.695 1.916) 4.047 3.063 ( 3.109 3.349 -4.529) 6.434 3.063 ( -3.109 3.349 4.529) 6.434 3.162 ( -2.813 -3.379 -5.344) 6.921 3.162 ( 2.813 -3.379 5.344) 6.921 3.519 ( -0.389 2.926 -6.913) 7.517 3.519 ( 0.389 2.926 6.913) 7.517 3.644 ( 2.951 -1.065 -2.099) 3.775 3.644 ( -2.951 -1.065 2.099) 3.775 3.827 ( -4.942 3.291 -5.315) 7.970 3.827 ( 4.942 3.291 5.315) 7.970 4.057 ( 1.332 -0.816 -3.191) 3.553 4.057 ( -1.332 -0.816 3.191) 3.553 4.272 ( 1.436 -3.458 -3.506) 5.130 4.272 ( -1.436 -3.458 3.506) 5.130 4.351 ( -2.280 -3.364 -1.677) 4.396 4.351 ( 2.280 -3.364 1.677) 4.396 4.409 ( -1.210 3.354 -1.123) 3.739 4.409 ( 1.210 3.354 1.123) 3.739 4.588 ( 2.945 5.472 -4.634) 7.752 4.588 ( -2.945 5.472 4.634) 7.752 4.658 ( -1.431 0.274 -1.412) 2.029 4.658 ( 1.431 0.274 1.412) 2.029 5.320 ( 2.311 -4.933 -3.255) 6.346 5.320 ( -2.311 -4.933 3.255) 6.346 5.684 ( 4.020 -1.166 -9.150) 10.062 5.684 ( -4.020 -1.166 9.150) 10.062 5.964 ( 1.757 -2.257 -1.913) 3.441 5.964 ( -1.757 -2.257 1.913) 3.441 11.938 ( -5.734 -0.632 -2.185) 6.169 11.938 ( 5.734 -0.632 2.185) 6.169 12.142 ( -1.346 9.031 -8.140) 12.232 12.142 ( 1.346 9.031 8.140) 12.232 13.310 ( -6.917 -18.200 -11.942) 22.840 13.310 ( 6.917 -18.200 11.942) 22.840 14.236 ( -8.033 4.924 -1.730) 9.580 14.236 ( 8.033 4.924 1.730) 9.580 15.335 ( 1.755 3.749 -5.926) 7.228 15.335 ( -1.755 3.749 5.926) 7.228 16.795 ( -4.233 6.012 -2.265) 7.694 16.795 ( 4.233 6.012 2.265) 7.694 ======================= Grid point 164 (86/89) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 8.952 0.000 -6.144) 10.858 1.704 ( 5.164 0.000 0.864) 5.236 1.862 ( 7.550 0.000 -2.747) 8.034 1.930 ( 3.209 0.000 -3.071) 4.442 2.031 ( 7.937 0.000 8.707) 11.782 2.189 ( 3.777 0.000 -1.701) 4.142 2.249 ( 0.649 0.000 -10.125) 10.146 2.440 ( -3.445 -0.000 7.006) 7.808 2.532 ( -5.412 -0.000 -4.794) 7.230 2.635 ( -3.997 -0.000 15.429) 15.938 2.698 ( -1.147 -0.000 -0.890) 1.451 2.700 ( 1.219 0.000 -3.043) 3.278 2.877 ( -2.861 -0.000 3.701) 4.678 2.903 ( 0.550 0.000 2.760) 2.814 3.031 ( 1.259 0.000 -3.440) 3.664 3.093 ( 1.345 0.000 -1.467) 1.990 3.102 ( 0.625 0.000 1.031) 1.206 3.189 ( 5.686 0.000 6.006) 8.271 3.236 ( -4.305 -0.000 -1.337) 4.508 3.385 ( -4.193 -0.000 0.426) 4.214 3.594 ( 4.163 0.000 -7.821) 8.860 3.617 ( -4.472 -0.000 1.828) 4.831 3.859 ( 5.697 0.000 0.291) 5.704 3.952 ( 1.242 0.000 0.501) 1.339 3.959 ( -0.340 -0.000 0.755) 0.828 4.133 ( -2.543 -0.000 0.657) 2.627 4.230 ( -1.668 -0.000 2.758) 3.223 4.312 ( -2.037 -0.000 -3.858) 4.363 4.366 ( 2.128 0.000 2.057) 2.960 4.419 ( 1.112 0.000 -1.309) 1.717 4.488 ( 1.877 0.000 -2.331) 2.993 4.526 ( 4.706 0.000 -12.930) 13.760 4.620 ( 2.339 0.000 -4.566) 5.130 4.631 ( 1.752 0.000 6.872) 7.092 4.699 ( -1.379 -0.000 1.092) 1.759 4.765 ( -0.436 -0.000 -1.618) 1.675 5.128 ( -5.951 -0.000 3.706) 7.010 5.166 ( -6.227 -0.000 9.525) 11.380 5.651 ( 3.616 0.000 0.239) 3.624 5.785 ( 0.689 0.000 -6.774) 6.809 5.915 ( -4.072 -0.000 -0.460) 4.098 5.928 ( -3.546 -0.000 4.282) 5.560 11.817 ( 0.703 0.000 3.186) 3.263 11.917 ( -1.441 -0.000 0.246) 1.462 11.949 ( 3.728 0.000 4.950) 6.197 12.194 ( -2.007 -0.000 -1.442) 2.471 13.452 ( -0.213 -0.000 -11.693) 11.695 13.695 ( -3.144 -0.000 14.051) 14.398 14.147 ( 2.347 0.000 1.769) 2.939 14.432 ( -12.419 -0.000 -10.931) 16.545 14.813 ( 7.944 0.000 -12.487) 14.800 15.085 ( -3.853 -0.000 17.239) 17.665 16.882 ( 6.296 0.000 -5.491) 8.354 16.958 ( 4.092 0.000 3.205) 5.197 ======================= Grid point 165 (87/89) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.406 -0.670 -0.241) 4.464 1.797 ( 1.907 -2.569 1.064) 3.372 1.929 ( 8.096 2.518 -8.509) 12.012 2.022 ( 6.130 -0.210 -1.211) 6.252 2.101 ( 3.503 1.637 8.350) 9.202 2.207 ( 1.314 3.714 -0.103) 3.941 2.246 ( -1.192 2.100 -4.896) 5.459 2.367 ( 2.407 -0.408 -3.415) 4.198 2.423 ( -6.523 5.170 -1.039) 8.388 2.554 ( -10.089 -3.404 11.298) 15.525 2.736 ( 5.015 -1.276 -0.758) 5.230 2.766 ( 6.337 -0.467 -1.806) 6.606 2.856 ( -3.806 -2.457 5.252) 6.935 2.911 ( -2.795 -1.578 -2.106) 3.839 3.034 ( 1.071 1.814 -2.450) 3.231 3.069 ( -0.198 1.705 0.499) 1.787 3.137 ( -0.860 -1.658 0.623) 1.969 3.190 ( -2.913 0.783 2.118) 3.686 3.261 ( 3.833 -4.600 -2.804) 6.611 3.388 ( -5.399 -5.214 3.084) 8.114 3.636 ( 3.167 -3.601 2.470) 5.394 3.674 ( 1.987 -4.074 -5.039) 6.777 3.914 ( 0.787 0.411 -0.557) 1.048 3.926 ( 1.273 1.196 1.341) 2.202 3.988 ( 1.834 0.192 -0.040) 1.844 4.086 ( -3.453 0.670 -0.147) 3.520 4.200 ( 0.778 2.507 0.511) 2.674 4.267 ( -2.648 0.087 -0.265) 2.663 4.362 ( 0.986 3.019 2.293) 3.917 4.378 ( -0.526 5.165 -4.445) 6.835 4.490 ( 3.520 1.647 -1.099) 4.039 4.591 ( -1.982 1.335 0.619) 2.469 4.661 ( 1.765 -1.961 -0.568) 2.699 4.671 ( 0.883 0.924 -0.791) 1.503 4.709 ( 0.831 -7.169 -3.627) 8.077 4.736 ( -0.183 1.452 0.255) 1.486 5.054 ( -1.342 1.659 0.834) 2.291 5.116 ( -5.711 -2.093 7.132) 9.373 5.677 ( 4.215 2.756 -3.193) 5.962 5.791 ( -3.855 2.107 3.131) 5.394 5.838 ( 1.819 -0.587 -4.997) 5.350 5.920 ( -3.573 -2.343 3.200) 5.338 11.846 ( 2.720 -0.786 1.759) 3.333 11.929 ( -3.155 -3.457 -0.391) 4.697 12.049 ( 4.819 -5.527 6.258) 9.641 12.172 ( -3.702 -3.023 -3.606) 5.987 13.309 ( 3.970 15.978 -9.177) 18.849 13.489 ( -8.464 15.301 7.966) 19.215 14.228 ( 8.382 -6.155 4.608) 11.375 14.465 ( -9.171 -10.358 -7.741) 15.853 14.923 ( 5.923 -5.139 -10.765) 13.319 15.079 ( -5.895 -5.211 13.402) 15.541 16.932 ( 5.698 2.048 -1.839) 6.328 17.010 ( -0.063 -1.223 0.753) 1.438 ======================= Grid point 166 (88/89) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 1.792 -0.425 -3.784) 4.209 1.819 ( -1.792 -0.425 3.784) 4.209 1.994 ( 3.833 1.145 -7.676) 8.656 1.994 ( -3.833 1.145 7.676) 8.656 2.085 ( 0.992 5.677 -5.280) 7.816 2.085 ( -0.992 5.677 5.280) 7.816 2.223 ( -1.653 6.397 -1.910) 6.878 2.223 ( 1.653 6.397 1.911) 6.878 2.516 ( 7.098 -5.900 -7.278) 11.754 2.516 ( -7.098 -5.900 7.278) 11.754 2.821 ( 0.629 0.884 -7.441) 7.520 2.821 ( -0.629 0.884 7.441) 7.520 2.886 ( -6.346 -3.206 -2.802) 7.642 2.886 ( 6.346 -3.206 2.802) 7.642 3.016 ( 1.306 0.571 -1.228) 1.881 3.016 ( -1.306 0.571 1.228) 1.881 3.159 ( 0.374 0.242 -5.867) 5.884 3.159 ( -0.374 0.242 5.867) 5.884 3.428 ( 4.402 -7.716 -6.085) 10.768 3.428 ( -4.402 -7.716 6.085) 10.768 3.710 ( -2.613 1.182 -1.797) 3.384 3.710 ( 2.613 1.182 1.797) 3.384 3.912 ( -2.542 0.600 -0.052) 2.612 3.912 ( 2.542 0.600 0.052) 2.612 4.024 ( -2.958 -0.010 -2.907) 4.147 4.024 ( 2.958 -0.010 2.907) 4.147 4.209 ( -0.388 1.378 -3.057) 3.375 4.209 ( 0.388 1.378 3.057) 3.375 4.306 ( -0.691 2.140 -1.756) 2.853 4.306 ( 0.691 2.140 1.756) 2.853 4.517 ( -2.832 1.755 -2.617) 4.237 4.517 ( 2.832 1.755 2.617) 4.237 4.659 ( -0.388 1.659 -2.131) 2.728 4.659 ( 0.388 1.659 2.131) 2.728 4.764 ( 0.093 0.295 -3.876) 3.889 4.764 ( -0.093 0.295 3.876) 3.889 5.099 ( 4.868 -4.939 -6.660) 9.615 5.099 ( -4.868 -4.939 6.660) 9.615 5.690 ( 3.668 2.034 -7.483) 8.578 5.690 ( -3.668 2.034 7.483) 8.578 5.908 ( 2.933 -1.725 -4.413) 5.573 5.908 ( -2.933 -1.725 4.413) 5.573 11.912 ( -5.100 -0.928 -1.384) 5.366 11.912 ( 5.100 -0.928 1.384) 5.366 12.221 ( -3.088 -6.991 -5.189) 9.238 12.221 ( 3.088 -6.991 5.189) 9.238 13.135 ( 4.174 11.602 -4.689) 13.192 13.135 ( -4.174 11.602 4.689) 13.192 14.411 ( -9.232 1.853 -7.660) 12.138 14.411 ( 9.232 1.853 7.660) 12.138 15.141 ( 3.344 -11.623 -8.192) 14.608 15.141 ( -3.344 -11.623 8.192) 14.608 16.965 ( -4.303 2.761 -0.927) 5.196 16.965 ( 4.303 2.761 0.927) 5.196 ======================= Grid point 173 (89/89) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -0.429 -0.000 -3.717) 3.742 1.784 ( 0.429 0.000 3.717) 3.742 2.044 ( 2.860 0.000 -6.498) 7.100 2.044 ( -2.860 -0.000 6.498) 7.100 2.181 ( -6.167 -0.000 -5.237) 8.091 2.181 ( 6.167 0.000 5.237) 8.091 2.312 ( 5.628 0.000 -4.336) 7.104 2.312 ( -5.628 -0.000 4.336) 7.104 2.455 ( 3.216 0.000 -13.713) 14.086 2.455 ( -3.216 -0.000 13.713) 14.086 2.783 ( 2.667 0.000 -3.559) 4.447 2.783 ( -2.667 -0.000 3.559) 4.447 2.847 ( 4.717 0.000 -1.901) 5.085 2.847 ( -4.717 -0.000 1.901) 5.085 3.075 ( 1.675 0.000 -5.593) 5.839 3.075 ( -1.675 -0.000 5.593) 5.839 3.124 ( -3.124 -0.000 -2.497) 3.999 3.124 ( 3.124 0.000 2.497) 3.999 3.296 ( -3.150 -0.000 -0.375) 3.172 3.296 ( 3.150 0.000 0.375) 3.172 3.626 ( -1.916 -0.000 -4.622) 5.003 3.626 ( 1.916 0.000 4.622) 5.003 3.935 ( -0.885 -0.000 -0.660) 1.104 3.935 ( 0.885 0.000 0.660) 1.104 4.036 ( -4.679 -0.000 -0.210) 4.684 4.036 ( 4.679 0.000 0.210) 4.684 4.232 ( -2.274 -0.000 -4.175) 4.754 4.232 ( 2.274 0.000 4.175) 4.754 4.416 ( -1.370 -0.000 -4.736) 4.930 4.416 ( 1.370 0.000 4.736) 4.930 4.573 ( 4.582 0.000 -3.856) 5.989 4.573 ( -4.582 -0.000 3.856) 5.989 4.641 ( -0.898 -0.000 -2.106) 2.289 4.641 ( 0.898 0.000 2.106) 2.289 4.711 ( 3.755 0.000 -3.102) 4.871 4.711 ( -3.755 -0.000 3.102) 4.871 5.062 ( 1.028 0.000 -3.137) 3.302 5.062 ( -1.028 -0.000 3.137) 3.302 5.768 ( 4.341 0.000 -3.010) 5.282 5.768 ( -4.341 -0.000 3.010) 5.282 5.848 ( 1.749 0.000 -7.921) 8.112 5.848 ( -1.749 -0.000 7.921) 8.112 11.863 ( -2.421 -0.000 -1.490) 2.843 11.863 ( 2.421 0.000 1.490) 2.843 12.082 ( -5.714 -0.000 -4.918) 7.540 12.082 ( 5.714 0.000 4.918) 7.540 13.554 ( 6.913 0.000 -11.662) 13.557 13.554 ( -6.913 -0.000 11.662) 13.557 14.217 ( -4.145 -0.000 -5.424) 6.826 14.217 ( 4.145 0.000 5.424) 6.826 14.978 ( 5.121 0.000 -16.409) 17.189 14.978 ( -5.121 -0.000 16.409) 17.189 16.992 ( 1.709 0.000 -3.513) 3.907 16.992 ( -1.709 -0.000 3.513) 3.907 =================== 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 3/15552 10.0 599.989 375.413 600.264 0.000 205.466 0.000 3/15552 20.0 93.045 72.468 77.143 0.000 11.679 0.000 3/15552 30.0 34.655 28.254 30.826 0.000 2.449 0.000 3/15552 40.0 19.471 16.158 18.389 0.000 0.857 0.000 3/15552 50.0 13.290 11.190 13.097 0.000 0.373 0.000 3/15552 60.0 10.105 8.616 10.266 0.000 0.167 0.000 3/15552 70.0 8.199 7.065 8.517 0.000 0.061 0.000 3/15552 80.0 6.936 6.032 7.328 0.000 -0.000 0.000 3/15552 90.0 6.037 5.294 6.460 -0.000 -0.036 0.000 3/15552 100.0 5.362 4.739 5.796 -0.000 -0.059 0.000 3/15552 110.0 4.835 4.304 5.268 -0.000 -0.072 0.000 3/15552 120.0 4.410 3.954 4.836 -0.000 -0.080 0.000 3/15552 130.0 4.059 3.664 4.475 -0.000 -0.084 0.000 3/15552 140.0 3.764 3.420 4.168 -0.000 -0.086 0.000 3/15552 150.0 3.511 3.210 3.903 -0.000 -0.087 0.000 3/15552 160.0 3.292 3.027 3.671 -0.000 -0.086 0.000 3/15552 170.0 3.101 2.866 3.466 -0.000 -0.085 0.000 3/15552 180.0 2.931 2.723 3.284 -0.000 -0.083 0.000 3/15552 190.0 2.780 2.594 3.121 -0.000 -0.082 0.000 3/15552 200.0 2.644 2.478 2.973 -0.000 -0.080 0.000 3/15552 210.0 2.522 2.372 2.840 -0.000 -0.078 0.000 3/15552 220.0 2.410 2.276 2.718 -0.000 -0.076 0.000 3/15552 230.0 2.308 2.187 2.606 -0.000 -0.074 0.000 3/15552 240.0 2.215 2.105 2.503 -0.000 -0.072 0.000 3/15552 250.0 2.129 2.029 2.408 -0.000 -0.070 0.000 3/15552 260.0 2.050 1.958 2.320 -0.000 -0.068 0.000 3/15552 270.0 1.976 1.892 2.238 -0.000 -0.066 0.000 3/15552 280.0 1.907 1.831 2.162 -0.000 -0.064 0.000 3/15552 290.0 1.844 1.773 2.091 -0.000 -0.063 0.000 3/15552 300.0 1.784 1.719 2.025 -0.000 -0.061 0.000 3/15552 310.0 1.728 1.668 1.962 -0.000 -0.060 0.000 3/15552 320.0 1.676 1.620 1.904 -0.000 -0.058 0.000 3/15552 330.0 1.626 1.575 1.848 -0.000 -0.057 0.000 3/15552 340.0 1.580 1.532 1.796 -0.000 -0.055 0.000 3/15552 350.0 1.536 1.491 1.747 -0.000 -0.054 0.000 3/15552 360.0 1.495 1.453 1.700 -0.000 -0.053 0.000 3/15552 370.0 1.455 1.416 1.656 -0.000 -0.052 0.000 3/15552 380.0 1.418 1.381 1.614 -0.000 -0.051 0.000 3/15552 390.0 1.383 1.348 1.574 -0.000 -0.049 0.000 3/15552 400.0 1.349 1.317 1.536 -0.000 -0.048 0.000 3/15552 410.0 1.317 1.286 1.500 -0.000 -0.047 0.000 3/15552 420.0 1.286 1.258 1.466 -0.000 -0.046 0.000 3/15552 430.0 1.257 1.230 1.433 -0.000 -0.046 0.000 3/15552 440.0 1.229 1.204 1.401 -0.000 -0.045 0.000 3/15552 450.0 1.202 1.178 1.371 -0.000 -0.044 0.000 3/15552 460.0 1.177 1.154 1.342 -0.000 -0.043 0.000 3/15552 470.0 1.152 1.131 1.314 -0.000 -0.042 0.000 3/15552 480.0 1.129 1.108 1.288 -0.000 -0.041 0.000 3/15552 490.0 1.106 1.087 1.262 -0.000 -0.041 0.000 3/15552 500.0 1.085 1.066 1.238 -0.000 -0.040 0.000 3/15552 510.0 1.064 1.046 1.214 -0.000 -0.039 0.000 3/15552 520.0 1.044 1.027 1.191 -0.000 -0.039 0.000 3/15552 530.0 1.025 1.008 1.169 -0.000 -0.038 0.000 3/15552 540.0 1.006 0.990 1.148 -0.000 -0.037 0.000 3/15552 550.0 0.988 0.973 1.128 -0.000 -0.037 0.000 3/15552 560.0 0.971 0.956 1.108 -0.000 -0.036 0.000 3/15552 570.0 0.954 0.940 1.089 -0.000 -0.035 0.000 3/15552 580.0 0.938 0.925 1.071 -0.000 -0.035 0.000 3/15552 590.0 0.922 0.909 1.053 -0.000 -0.034 0.000 3/15552 600.0 0.907 0.895 1.036 -0.000 -0.034 0.000 3/15552 610.0 0.892 0.881 1.019 -0.000 -0.033 0.000 3/15552 620.0 0.878 0.867 1.003 -0.000 -0.033 0.000 3/15552 630.0 0.865 0.854 0.988 -0.000 -0.032 0.000 3/15552 640.0 0.851 0.841 0.973 -0.000 -0.032 0.000 3/15552 650.0 0.838 0.828 0.958 -0.000 -0.031 0.000 3/15552 660.0 0.826 0.816 0.944 -0.000 -0.031 0.000 3/15552 670.0 0.814 0.804 0.930 -0.000 -0.031 0.000 3/15552 680.0 0.802 0.793 0.917 -0.000 -0.030 0.000 3/15552 690.0 0.791 0.782 0.903 -0.000 -0.030 0.000 3/15552 700.0 0.779 0.771 0.891 -0.000 -0.029 0.000 3/15552 710.0 0.769 0.760 0.879 -0.000 -0.029 0.000 3/15552 720.0 0.758 0.750 0.867 -0.000 -0.029 0.000 3/15552 730.0 0.748 0.740 0.855 -0.000 -0.028 0.000 3/15552 740.0 0.738 0.730 0.844 -0.000 -0.028 0.000 3/15552 750.0 0.728 0.721 0.832 -0.000 -0.028 0.000 3/15552 760.0 0.719 0.711 0.822 -0.000 -0.027 0.000 3/15552 770.0 0.710 0.702 0.811 -0.000 -0.027 0.000 3/15552 780.0 0.701 0.694 0.801 -0.000 -0.027 0.000 3/15552 790.0 0.692 0.685 0.791 -0.000 -0.026 0.000 3/15552 800.0 0.683 0.677 0.781 -0.000 -0.026 0.000 3/15552 810.0 0.675 0.669 0.772 -0.000 -0.026 0.000 3/15552 820.0 0.667 0.661 0.763 -0.000 -0.025 0.000 3/15552 830.0 0.659 0.653 0.753 -0.000 -0.025 0.000 3/15552 840.0 0.651 0.645 0.745 -0.000 -0.025 0.000 3/15552 850.0 0.644 0.638 0.736 -0.000 -0.025 0.000 3/15552 860.0 0.636 0.631 0.728 -0.000 -0.024 0.000 3/15552 870.0 0.629 0.623 0.719 -0.000 -0.024 0.000 3/15552 880.0 0.622 0.616 0.711 -0.000 -0.024 0.000 3/15552 890.0 0.615 0.610 0.703 -0.000 -0.024 0.000 3/15552 900.0 0.608 0.603 0.696 -0.000 -0.023 0.000 3/15552 910.0 0.602 0.597 0.688 -0.000 -0.023 0.000 3/15552 920.0 0.595 0.590 0.681 -0.000 -0.023 0.000 3/15552 930.0 0.589 0.584 0.674 -0.000 -0.023 0.000 3/15552 940.0 0.583 0.578 0.667 -0.000 -0.022 0.000 3/15552 950.0 0.577 0.572 0.660 -0.000 -0.022 0.000 3/15552 960.0 0.571 0.566 0.653 -0.000 -0.022 0.000 3/15552 970.0 0.565 0.560 0.646 -0.000 -0.022 0.000 3/15552 980.0 0.559 0.555 0.640 -0.000 -0.021 0.000 3/15552 990.0 0.554 0.549 0.633 -0.000 -0.021 0.000 3/15552 1000.0 0.548 0.544 0.627 -0.000 -0.021 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:46:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|