----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:52:48]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.680945220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.029311060000002 Atomic positions (fractional): *1 O 0.10081981906684 0.25000000000000 0.92391802790884 15.999 2 O 0.89918018093316 0.75000000000000 0.07608197209117 15.999 3 O 0.39918018093316 0.75000000000000 0.42391802790883 15.999 4 O 0.60081981906684 0.25000000000000 0.57608197209116 15.999 *5 O 0.77546934836807 0.00054752627575 0.35937432063006 15.999 6 O 0.22453065163193 0.50054752627575 0.64062567936994 15.999 7 O 0.72453065163193 0.99945247372425 0.85937432063006 15.999 8 O 0.27546934836807 0.49945247372425 0.14062567936994 15.999 9 O 0.22453065163193 0.99945247372425 0.64062567936994 15.999 10 O 0.77546934836807 0.49945247372425 0.35937432063006 15.999 11 O 0.27546934836807 0.00054752627575 0.14062567936994 15.999 12 O 0.72453065163193 0.50054752627575 0.85937432063006 15.999 *13 O 0.56533626814999 0.49805958322502 0.16547636825822 15.999 14 O 0.43466373185001 0.99805958322502 0.83452363174178 15.999 15 O 0.93466373185001 0.50194041677498 0.66547636825822 15.999 16 O 0.06533626814999 0.00194041677498 0.33452363174178 15.999 17 O 0.93466373185001 0.99805958322502 0.66547636825822 15.999 18 O 0.06533626814999 0.49805958322502 0.33452363174178 15.999 19 O 0.56533626814999 0.00194041677498 0.16547636825822 15.999 20 O 0.43466373185001 0.50194041677498 0.83452363174178 15.999 *21 Zn 0.65068040982459 0.25000000000000 0.30908248349352 65.380 22 Zn 0.34931959017541 0.75000000000000 0.69091751650648 65.380 23 Zn 0.84931959017541 0.75000000000000 0.80908248349352 65.380 24 Zn 0.15068040982459 0.25000000000000 0.19091751650648 65.380 *25 Ba 0.60069092272426 0.75000000000000 0.57724105264260 137.327 26 Ba 0.10069092272426 0.75000000000000 0.92275894735740 137.327 27 Ba 0.89930907727574 0.25000000000000 0.07724105264261 137.327 28 Ba 0.39930907727574 0.25000000000000 0.42275894735739 137.327 *29 Dy 0.57465031785219 0.25000000000000 0.90081968647242 162.500 *30 Dy 0.70773540799180 0.75000000000000 0.12013077351120 162.500 31 Dy 0.20773540799179 0.75000000000000 0.37986922648880 162.500 32 Dy 0.79226459200820 0.25000000000000 0.62013077351120 162.500 33 Dy 0.42534968214781 0.75000000000000 0.09918031352758 162.500 34 Dy 0.92534968214781 0.75000000000000 0.40081968647242 162.500 35 Dy 0.07465031785219 0.25000000000000 0.59918031352758 162.500 36 Dy 0.29226459200820 0.25000000000000 0.87986922648880 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.680945220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.029311060000002 Atomic positions (fractional): *1 O 0.10081981906684 0.25000000000000 0.92391802790884 15.999 > 1 2 O 0.89918018093316 0.75000000000000 0.07608197209117 15.999 > 2 3 O 0.39918018093316 0.75000000000000 0.42391802790883 15.999 > 3 4 O 0.60081981906684 0.25000000000000 0.57608197209116 15.999 > 4 *5 O 0.77546934836807 0.00054752627575 0.35937432063006 15.999 > 5 6 O 0.22453065163193 0.50054752627575 0.64062567936994 15.999 > 6 7 O 0.72453065163193 0.99945247372425 0.85937432063006 15.999 > 7 8 O 0.27546934836807 0.49945247372425 0.14062567936994 15.999 > 8 9 O 0.22453065163193 0.99945247372425 0.64062567936994 15.999 > 9 10 O 0.77546934836807 0.49945247372425 0.35937432063006 15.999 > 10 11 O 0.27546934836807 0.00054752627575 0.14062567936994 15.999 > 11 12 O 0.72453065163193 0.50054752627575 0.85937432063006 15.999 > 12 *13 O 0.56533626814999 0.49805958322502 0.16547636825822 15.999 > 13 14 O 0.43466373185001 0.99805958322502 0.83452363174178 15.999 > 14 15 O 0.93466373185001 0.50194041677498 0.66547636825822 15.999 > 15 16 O 0.06533626814999 0.00194041677498 0.33452363174178 15.999 > 16 17 O 0.93466373185001 0.99805958322502 0.66547636825822 15.999 > 17 18 O 0.06533626814999 0.49805958322502 0.33452363174178 15.999 > 18 19 O 0.56533626814999 0.00194041677498 0.16547636825822 15.999 > 19 20 O 0.43466373185001 0.50194041677498 0.83452363174178 15.999 > 20 *21 Zn 0.65068040982459 0.25000000000000 0.30908248349352 65.380 > 21 22 Zn 0.34931959017541 0.75000000000000 0.69091751650648 65.380 > 22 23 Zn 0.84931959017541 0.75000000000000 0.80908248349352 65.380 > 23 24 Zn 0.15068040982459 0.25000000000000 0.19091751650648 65.380 > 24 *25 Ba 0.60069092272426 0.75000000000000 0.57724105264260 137.327 > 25 26 Ba 0.10069092272426 0.75000000000000 0.92275894735740 137.327 > 26 27 Ba 0.89930907727574 0.25000000000000 0.07724105264261 137.327 > 27 28 Ba 0.39930907727574 0.25000000000000 0.42275894735739 137.327 > 28 *29 Dy 0.57465031785219 0.25000000000000 0.90081968647242 162.500 > 29 *30 Dy 0.70773540799180 0.75000000000000 0.12013077351120 162.500 > 30 31 Dy 0.20773540799179 0.75000000000000 0.37986922648880 162.500 > 31 32 Dy 0.79226459200820 0.25000000000000 0.62013077351120 162.500 > 32 33 Dy 0.42534968214781 0.75000000000000 0.09918031352758 162.500 > 33 34 Dy 0.92534968214781 0.75000000000000 0.40081968647242 162.500 > 34 35 Dy 0.07465031785219 0.25000000000000 0.59918031352758 162.500 > 35 36 Dy 0.29226459200820 0.25000000000000 0.87986922648880 162.500 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.361890440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.058622120000004 Atomic positions (fractional): *1 O 0.10081981906684 0.12500000000000 0.46195901395442 15.999 > 1 2 O 0.10081981906684 0.62500000000000 0.46195901395442 15.999 > 1 3 O 0.10081981906684 0.12500000000000 0.96195901395442 15.999 > 1 4 O 0.10081981906684 0.62500000000000 0.96195901395442 15.999 > 1 5 O 0.89918018093316 0.37500000000000 0.03804098604558 15.999 > 2 6 O 0.89918018093316 0.87500000000000 0.03804098604558 15.999 > 2 7 O 0.89918018093316 0.37500000000000 0.53804098604558 15.999 > 2 8 O 0.89918018093316 0.87500000000000 0.53804098604558 15.999 > 2 9 O 0.39918018093316 0.37500000000000 0.21195901395442 15.999 > 3 10 O 0.39918018093316 0.87500000000000 0.21195901395442 15.999 > 3 11 O 0.39918018093316 0.37500000000000 0.71195901395442 15.999 > 3 12 O 0.39918018093316 0.87500000000000 0.71195901395442 15.999 > 3 13 O 0.60081981906684 0.12500000000000 0.28804098604558 15.999 > 4 14 O 0.60081981906684 0.62500000000000 0.28804098604558 15.999 > 4 15 O 0.60081981906684 0.12500000000000 0.78804098604558 15.999 > 4 16 O 0.60081981906684 0.62500000000000 0.78804098604558 15.999 > 4 *17 O 0.77546934836807 0.00027376313787 0.17968716031503 15.999 > 5 18 O 0.77546934836807 0.50027376313787 0.17968716031503 15.999 > 5 19 O 0.77546934836807 0.00027376313787 0.67968716031503 15.999 > 5 20 O 0.77546934836807 0.50027376313787 0.67968716031503 15.999 > 5 21 O 0.22453065163193 0.25027376313788 0.32031283968497 15.999 > 6 22 O 0.22453065163193 0.75027376313788 0.32031283968497 15.999 > 6 23 O 0.22453065163193 0.25027376313788 0.82031283968497 15.999 > 6 24 O 0.22453065163193 0.75027376313788 0.82031283968497 15.999 > 6 25 O 0.72453065163193 0.49972623686212 0.42968716031503 15.999 > 7 26 O 0.72453065163193 0.99972623686212 0.42968716031503 15.999 > 7 27 O 0.72453065163193 0.49972623686212 0.92968716031503 15.999 > 7 28 O 0.72453065163193 0.99972623686212 0.92968716031503 15.999 > 7 29 O 0.27546934836807 0.24972623686213 0.07031283968497 15.999 > 8 30 O 0.27546934836807 0.74972623686213 0.07031283968497 15.999 > 8 31 O 0.27546934836807 0.24972623686213 0.57031283968497 15.999 > 8 32 O 0.27546934836807 0.74972623686213 0.57031283968497 15.999 > 8 33 O 0.22453065163193 0.49972623686212 0.32031283968497 15.999 > 9 34 O 0.22453065163193 0.99972623686212 0.32031283968497 15.999 > 9 35 O 0.22453065163193 0.49972623686212 0.82031283968497 15.999 > 9 36 O 0.22453065163193 0.99972623686212 0.82031283968497 15.999 > 9 37 O 0.77546934836807 0.24972623686213 0.17968716031503 15.999 > 10 38 O 0.77546934836807 0.74972623686213 0.17968716031503 15.999 > 10 39 O 0.77546934836807 0.24972623686213 0.67968716031503 15.999 > 10 40 O 0.77546934836807 0.74972623686213 0.67968716031503 15.999 > 10 41 O 0.27546934836807 0.00027376313787 0.07031283968497 15.999 > 11 42 O 0.27546934836807 0.50027376313787 0.07031283968497 15.999 > 11 43 O 0.27546934836807 0.00027376313787 0.57031283968497 15.999 > 11 44 O 0.27546934836807 0.50027376313787 0.57031283968497 15.999 > 11 45 O 0.72453065163193 0.25027376313788 0.42968716031503 15.999 > 12 46 O 0.72453065163193 0.75027376313788 0.42968716031503 15.999 > 12 47 O 0.72453065163193 0.25027376313788 0.92968716031503 15.999 > 12 48 O 0.72453065163193 0.75027376313788 0.92968716031503 15.999 > 12 *49 O 0.56533626814999 0.24902979161251 0.08273818412911 15.999 > 13 50 O 0.56533626814999 0.74902979161251 0.08273818412911 15.999 > 13 51 O 0.56533626814999 0.24902979161251 0.58273818412911 15.999 > 13 52 O 0.56533626814999 0.74902979161251 0.58273818412911 15.999 > 13 53 O 0.43466373185001 0.49902979161251 0.41726181587089 15.999 > 14 54 O 0.43466373185001 0.99902979161251 0.41726181587089 15.999 > 14 55 O 0.43466373185001 0.49902979161251 0.91726181587089 15.999 > 14 56 O 0.43466373185001 0.99902979161251 0.91726181587089 15.999 > 14 57 O 0.93466373185001 0.25097020838749 0.33273818412911 15.999 > 15 58 O 0.93466373185001 0.75097020838749 0.33273818412911 15.999 > 15 59 O 0.93466373185001 0.25097020838749 0.83273818412911 15.999 > 15 60 O 0.93466373185001 0.75097020838749 0.83273818412911 15.999 > 15 61 O 0.06533626814999 0.00097020838749 0.16726181587089 15.999 > 16 62 O 0.06533626814999 0.50097020838749 0.16726181587089 15.999 > 16 63 O 0.06533626814999 0.00097020838749 0.66726181587089 15.999 > 16 64 O 0.06533626814999 0.50097020838749 0.66726181587089 15.999 > 16 65 O 0.93466373185001 0.49902979161251 0.33273818412911 15.999 > 17 66 O 0.93466373185001 0.99902979161251 0.33273818412911 15.999 > 17 67 O 0.93466373185001 0.49902979161251 0.83273818412911 15.999 > 17 68 O 0.93466373185001 0.99902979161251 0.83273818412911 15.999 > 17 69 O 0.06533626814999 0.24902979161251 0.16726181587089 15.999 > 18 70 O 0.06533626814999 0.74902979161251 0.16726181587089 15.999 > 18 71 O 0.06533626814999 0.24902979161251 0.66726181587089 15.999 > 18 72 O 0.06533626814999 0.74902979161251 0.66726181587089 15.999 > 18 73 O 0.56533626814999 0.00097020838749 0.08273818412911 15.999 > 19 74 O 0.56533626814999 0.50097020838749 0.08273818412911 15.999 > 19 75 O 0.56533626814999 0.00097020838749 0.58273818412911 15.999 > 19 76 O 0.56533626814999 0.50097020838749 0.58273818412911 15.999 > 19 77 O 0.43466373185001 0.25097020838749 0.41726181587089 15.999 > 20 78 O 0.43466373185001 0.75097020838749 0.41726181587089 15.999 > 20 79 O 0.43466373185001 0.25097020838749 0.91726181587089 15.999 > 20 80 O 0.43466373185001 0.75097020838749 0.91726181587089 15.999 > 20 *81 Zn 0.65068040982459 0.12500000000000 0.15454124174676 65.380 > 21 82 Zn 0.65068040982459 0.62500000000000 0.15454124174676 65.380 > 21 83 Zn 0.65068040982459 0.12500000000000 0.65454124174676 65.380 > 21 84 Zn 0.65068040982459 0.62500000000000 0.65454124174676 65.380 > 21 85 Zn 0.34931959017541 0.37500000000000 0.34545875825324 65.380 > 22 86 Zn 0.34931959017541 0.87500000000000 0.34545875825324 65.380 > 22 87 Zn 0.34931959017541 0.37500000000000 0.84545875825324 65.380 > 22 88 Zn 0.34931959017541 0.87500000000000 0.84545875825324 65.380 > 22 89 Zn 0.84931959017541 0.37500000000000 0.40454124174676 65.380 > 23 90 Zn 0.84931959017541 0.87500000000000 0.40454124174676 65.380 > 23 91 Zn 0.84931959017541 0.37500000000000 0.90454124174676 65.380 > 23 92 Zn 0.84931959017541 0.87500000000000 0.90454124174676 65.380 > 23 93 Zn 0.15068040982459 0.12500000000000 0.09545875825324 65.380 > 24 94 Zn 0.15068040982459 0.62500000000000 0.09545875825324 65.380 > 24 95 Zn 0.15068040982459 0.12500000000000 0.59545875825324 65.380 > 24 96 Zn 0.15068040982459 0.62500000000000 0.59545875825324 65.380 > 24 *97 Ba 0.60069092272426 0.37500000000000 0.28862052632130 137.327 > 25 98 Ba 0.60069092272426 0.87500000000000 0.28862052632130 137.327 > 25 99 Ba 0.60069092272426 0.37500000000000 0.78862052632130 137.327 > 25 100 Ba 0.60069092272426 0.87500000000000 0.78862052632130 137.327 > 25 101 Ba 0.10069092272426 0.37500000000000 0.46137947367870 137.327 > 26 102 Ba 0.10069092272426 0.87500000000000 0.46137947367870 137.327 > 26 103 Ba 0.10069092272426 0.37500000000000 0.96137947367870 137.327 > 26 104 Ba 0.10069092272426 0.87500000000000 0.96137947367870 137.327 > 26 105 Ba 0.89930907727574 0.12500000000000 0.03862052632130 137.327 > 27 106 Ba 0.89930907727574 0.62500000000000 0.03862052632130 137.327 > 27 107 Ba 0.89930907727574 0.12500000000000 0.53862052632130 137.327 > 27 108 Ba 0.89930907727574 0.62500000000000 0.53862052632130 137.327 > 27 109 Ba 0.39930907727574 0.12500000000000 0.21137947367870 137.327 > 28 110 Ba 0.39930907727574 0.62500000000000 0.21137947367870 137.327 > 28 111 Ba 0.39930907727574 0.12500000000000 0.71137947367870 137.327 > 28 112 Ba 0.39930907727574 0.62500000000000 0.71137947367870 137.327 > 28 *113 Dy 0.57465031785219 0.12500000000000 0.45040984323621 162.500 > 29 114 Dy 0.57465031785219 0.62500000000000 0.45040984323621 162.500 > 29 115 Dy 0.57465031785219 0.12500000000000 0.95040984323621 162.500 > 29 116 Dy 0.57465031785219 0.62500000000000 0.95040984323621 162.500 > 29 *117 Dy 0.70773540799180 0.37500000000000 0.06006538675560 162.500 > 30 118 Dy 0.70773540799180 0.87500000000000 0.06006538675560 162.500 > 30 119 Dy 0.70773540799180 0.37500000000000 0.56006538675560 162.500 > 30 120 Dy 0.70773540799180 0.87500000000000 0.56006538675560 162.500 > 30 121 Dy 0.20773540799179 0.37500000000000 0.18993461324440 162.500 > 31 122 Dy 0.20773540799179 0.87500000000000 0.18993461324440 162.500 > 31 123 Dy 0.20773540799179 0.37500000000000 0.68993461324440 162.500 > 31 124 Dy 0.20773540799179 0.87500000000000 0.68993461324440 162.500 > 31 125 Dy 0.79226459200820 0.12500000000000 0.31006538675560 162.500 > 32 126 Dy 0.79226459200820 0.62500000000000 0.31006538675560 162.500 > 32 127 Dy 0.79226459200820 0.12500000000000 0.81006538675560 162.500 > 32 128 Dy 0.79226459200820 0.62500000000000 0.81006538675560 162.500 > 32 129 Dy 0.42534968214781 0.37500000000000 0.04959015676379 162.500 > 33 130 Dy 0.42534968214781 0.87500000000000 0.04959015676379 162.500 > 33 131 Dy 0.42534968214781 0.37500000000000 0.54959015676379 162.500 > 33 132 Dy 0.42534968214781 0.87500000000000 0.54959015676379 162.500 > 33 133 Dy 0.92534968214781 0.37500000000000 0.20040984323621 162.500 > 34 134 Dy 0.92534968214781 0.87500000000000 0.20040984323621 162.500 > 34 135 Dy 0.92534968214781 0.37500000000000 0.70040984323621 162.500 > 34 136 Dy 0.92534968214781 0.87500000000000 0.70040984323621 162.500 > 34 137 Dy 0.07465031785219 0.12500000000000 0.29959015676379 162.500 > 35 138 Dy 0.07465031785219 0.62500000000000 0.29959015676379 162.500 > 35 139 Dy 0.07465031785219 0.12500000000000 0.79959015676379 162.500 > 35 140 Dy 0.07465031785219 0.62500000000000 0.79959015676379 162.500 > 35 141 Dy 0.29226459200820 0.12500000000000 0.43993461324440 162.500 > 36 142 Dy 0.29226459200820 0.62500000000000 0.43993461324440 162.500 > 36 143 Dy 0.29226459200820 0.12500000000000 0.93993461324440 162.500 > 36 144 Dy 0.29226459200820 0.62500000000000 0.93993461324440 162.500 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6915862 0.0000000 0.0000000 0.0000000 4.6434400 0.0000000 0.0000000 0.0000000 4.5778368 -------------------------- Born effective charges -------------------------- 1 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 2 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 3 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 4 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 5 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 6 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 7 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 8 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 9 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 10 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 11 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 12 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 13 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 14 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 15 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 16 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 17 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 18 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 19 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 20 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 21 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 22 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 23 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 24 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 25 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 26 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 27 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 28 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 29 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 30 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 31 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 32 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 33 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 34 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 35 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 36 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 2.149 Solver_block: 200 / 560 - Time: 1.636 Solver_block: 300 / 560 - Time: 1.929 Solver_block: 400 / 560 - Time: 1.377 Solver_block: 500 / 560 - Time: 2.000 Solver_block: 560 / 560 - Time: 1.124 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.752 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-07 21:53:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:53:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.680945220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.029311060000002 Atomic positions (fractional): 1 O 0.10081981906684 0.25000000000000 0.92391802790884 15.999 2 O 0.89918018093316 0.75000000000000 0.07608197209117 15.999 3 O 0.39918018093316 0.75000000000000 0.42391802790883 15.999 4 O 0.60081981906684 0.25000000000000 0.57608197209116 15.999 5 O 0.77546934836807 0.00054752627575 0.35937432063006 15.999 6 O 0.22453065163193 0.50054752627575 0.64062567936994 15.999 7 O 0.72453065163193 0.99945247372425 0.85937432063006 15.999 8 O 0.27546934836807 0.49945247372425 0.14062567936994 15.999 9 O 0.22453065163193 0.99945247372425 0.64062567936994 15.999 10 O 0.77546934836807 0.49945247372425 0.35937432063006 15.999 11 O 0.27546934836807 0.00054752627575 0.14062567936994 15.999 12 O 0.72453065163193 0.50054752627575 0.85937432063006 15.999 13 O 0.56533626814999 0.49805958322502 0.16547636825822 15.999 14 O 0.43466373185001 0.99805958322502 0.83452363174178 15.999 15 O 0.93466373185001 0.50194041677498 0.66547636825822 15.999 16 O 0.06533626814999 0.00194041677498 0.33452363174178 15.999 17 O 0.93466373185001 0.99805958322502 0.66547636825822 15.999 18 O 0.06533626814999 0.49805958322502 0.33452363174178 15.999 19 O 0.56533626814999 0.00194041677498 0.16547636825822 15.999 20 O 0.43466373185001 0.50194041677498 0.83452363174178 15.999 21 Zn 0.65068040982459 0.25000000000000 0.30908248349352 65.380 22 Zn 0.34931959017541 0.75000000000000 0.69091751650648 65.380 23 Zn 0.84931959017541 0.75000000000000 0.80908248349352 65.380 24 Zn 0.15068040982459 0.25000000000000 0.19091751650648 65.380 25 Ba 0.60069092272426 0.75000000000000 0.57724105264260 137.327 26 Ba 0.10069092272426 0.75000000000000 0.92275894735740 137.327 27 Ba 0.89930907727574 0.25000000000000 0.07724105264261 137.327 28 Ba 0.39930907727574 0.25000000000000 0.42275894735739 137.327 29 Dy 0.57465031785219 0.25000000000000 0.90081968647242 162.500 30 Dy 0.70773540799180 0.75000000000000 0.12013077351120 162.500 31 Dy 0.20773540799179 0.75000000000000 0.37986922648880 162.500 32 Dy 0.79226459200820 0.25000000000000 0.62013077351120 162.500 33 Dy 0.42534968214781 0.75000000000000 0.09918031352758 162.500 34 Dy 0.92534968214781 0.75000000000000 0.40081968647242 162.500 35 Dy 0.07465031785219 0.25000000000000 0.59918031352758 162.500 36 Dy 0.29226459200820 0.25000000000000 0.87986922648880 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.361890440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.058622120000004 Atomic positions (fractional): 1 O 0.10081981906684 0.12500000000000 0.46195901395442 15.999 > 1 2 O 0.10081981906684 0.62500000000000 0.46195901395442 15.999 > 1 3 O 0.10081981906684 0.12500000000000 0.96195901395442 15.999 > 1 4 O 0.10081981906684 0.62500000000000 0.96195901395442 15.999 > 1 5 O 0.89918018093316 0.37500000000000 0.03804098604558 15.999 > 5 6 O 0.89918018093316 0.87500000000000 0.03804098604558 15.999 > 5 7 O 0.89918018093316 0.37500000000000 0.53804098604558 15.999 > 5 8 O 0.89918018093316 0.87500000000000 0.53804098604558 15.999 > 5 9 O 0.39918018093316 0.37500000000000 0.21195901395442 15.999 > 9 10 O 0.39918018093316 0.87500000000000 0.21195901395442 15.999 > 9 11 O 0.39918018093316 0.37500000000000 0.71195901395442 15.999 > 9 12 O 0.39918018093316 0.87500000000000 0.71195901395442 15.999 > 9 13 O 0.60081981906684 0.12500000000000 0.28804098604558 15.999 > 13 14 O 0.60081981906684 0.62500000000000 0.28804098604558 15.999 > 13 15 O 0.60081981906684 0.12500000000000 0.78804098604558 15.999 > 13 16 O 0.60081981906684 0.62500000000000 0.78804098604558 15.999 > 13 17 O 0.77546934836807 0.00027376313787 0.17968716031503 15.999 > 17 18 O 0.77546934836807 0.50027376313787 0.17968716031503 15.999 > 17 19 O 0.77546934836807 0.00027376313787 0.67968716031503 15.999 > 17 20 O 0.77546934836807 0.50027376313787 0.67968716031503 15.999 > 17 21 O 0.22453065163193 0.25027376313788 0.32031283968497 15.999 > 21 22 O 0.22453065163193 0.75027376313788 0.32031283968497 15.999 > 21 23 O 0.22453065163193 0.25027376313788 0.82031283968497 15.999 > 21 24 O 0.22453065163193 0.75027376313788 0.82031283968497 15.999 > 21 25 O 0.72453065163193 0.49972623686212 0.42968716031503 15.999 > 25 26 O 0.72453065163193 0.99972623686212 0.42968716031503 15.999 > 25 27 O 0.72453065163193 0.49972623686212 0.92968716031503 15.999 > 25 28 O 0.72453065163193 0.99972623686212 0.92968716031503 15.999 > 25 29 O 0.27546934836807 0.24972623686213 0.07031283968497 15.999 > 29 30 O 0.27546934836807 0.74972623686213 0.07031283968497 15.999 > 29 31 O 0.27546934836807 0.24972623686213 0.57031283968497 15.999 > 29 32 O 0.27546934836807 0.74972623686213 0.57031283968497 15.999 > 29 33 O 0.22453065163193 0.49972623686212 0.32031283968497 15.999 > 33 34 O 0.22453065163193 0.99972623686212 0.32031283968497 15.999 > 33 35 O 0.22453065163193 0.49972623686212 0.82031283968497 15.999 > 33 36 O 0.22453065163193 0.99972623686212 0.82031283968497 15.999 > 33 37 O 0.77546934836807 0.24972623686213 0.17968716031503 15.999 > 37 38 O 0.77546934836807 0.74972623686213 0.17968716031503 15.999 > 37 39 O 0.77546934836807 0.24972623686213 0.67968716031503 15.999 > 37 40 O 0.77546934836807 0.74972623686213 0.67968716031503 15.999 > 37 41 O 0.27546934836807 0.00027376313787 0.07031283968497 15.999 > 41 42 O 0.27546934836807 0.50027376313787 0.07031283968497 15.999 > 41 43 O 0.27546934836807 0.00027376313787 0.57031283968497 15.999 > 41 44 O 0.27546934836807 0.50027376313787 0.57031283968497 15.999 > 41 45 O 0.72453065163193 0.25027376313788 0.42968716031503 15.999 > 45 46 O 0.72453065163193 0.75027376313788 0.42968716031503 15.999 > 45 47 O 0.72453065163193 0.25027376313788 0.92968716031503 15.999 > 45 48 O 0.72453065163193 0.75027376313788 0.92968716031503 15.999 > 45 49 O 0.56533626814999 0.24902979161251 0.08273818412911 15.999 > 49 50 O 0.56533626814999 0.74902979161251 0.08273818412911 15.999 > 49 51 O 0.56533626814999 0.24902979161251 0.58273818412911 15.999 > 49 52 O 0.56533626814999 0.74902979161251 0.58273818412911 15.999 > 49 53 O 0.43466373185001 0.49902979161251 0.41726181587089 15.999 > 53 54 O 0.43466373185001 0.99902979161251 0.41726181587089 15.999 > 53 55 O 0.43466373185001 0.49902979161251 0.91726181587089 15.999 > 53 56 O 0.43466373185001 0.99902979161251 0.91726181587089 15.999 > 53 57 O 0.93466373185001 0.25097020838749 0.33273818412911 15.999 > 57 58 O 0.93466373185001 0.75097020838749 0.33273818412911 15.999 > 57 59 O 0.93466373185001 0.25097020838749 0.83273818412911 15.999 > 57 60 O 0.93466373185001 0.75097020838749 0.83273818412911 15.999 > 57 61 O 0.06533626814999 0.00097020838749 0.16726181587089 15.999 > 61 62 O 0.06533626814999 0.50097020838749 0.16726181587089 15.999 > 61 63 O 0.06533626814999 0.00097020838749 0.66726181587089 15.999 > 61 64 O 0.06533626814999 0.50097020838749 0.66726181587089 15.999 > 61 65 O 0.93466373185001 0.49902979161251 0.33273818412911 15.999 > 65 66 O 0.93466373185001 0.99902979161251 0.33273818412911 15.999 > 65 67 O 0.93466373185001 0.49902979161251 0.83273818412911 15.999 > 65 68 O 0.93466373185001 0.99902979161251 0.83273818412911 15.999 > 65 69 O 0.06533626814999 0.24902979161251 0.16726181587089 15.999 > 69 70 O 0.06533626814999 0.74902979161251 0.16726181587089 15.999 > 69 71 O 0.06533626814999 0.24902979161251 0.66726181587089 15.999 > 69 72 O 0.06533626814999 0.74902979161251 0.66726181587089 15.999 > 69 73 O 0.56533626814999 0.00097020838749 0.08273818412911 15.999 > 73 74 O 0.56533626814999 0.50097020838749 0.08273818412911 15.999 > 73 75 O 0.56533626814999 0.00097020838749 0.58273818412911 15.999 > 73 76 O 0.56533626814999 0.50097020838749 0.58273818412911 15.999 > 73 77 O 0.43466373185001 0.25097020838749 0.41726181587089 15.999 > 77 78 O 0.43466373185001 0.75097020838749 0.41726181587089 15.999 > 77 79 O 0.43466373185001 0.25097020838749 0.91726181587089 15.999 > 77 80 O 0.43466373185001 0.75097020838749 0.91726181587089 15.999 > 77 81 Zn 0.65068040982459 0.12500000000000 0.15454124174676 65.380 > 81 82 Zn 0.65068040982459 0.62500000000000 0.15454124174676 65.380 > 81 83 Zn 0.65068040982459 0.12500000000000 0.65454124174676 65.380 > 81 84 Zn 0.65068040982459 0.62500000000000 0.65454124174676 65.380 > 81 85 Zn 0.34931959017541 0.37500000000000 0.34545875825324 65.380 > 85 86 Zn 0.34931959017541 0.87500000000000 0.34545875825324 65.380 > 85 87 Zn 0.34931959017541 0.37500000000000 0.84545875825324 65.380 > 85 88 Zn 0.34931959017541 0.87500000000000 0.84545875825324 65.380 > 85 89 Zn 0.84931959017541 0.37500000000000 0.40454124174676 65.380 > 89 90 Zn 0.84931959017541 0.87500000000000 0.40454124174676 65.380 > 89 91 Zn 0.84931959017541 0.37500000000000 0.90454124174676 65.380 > 89 92 Zn 0.84931959017541 0.87500000000000 0.90454124174676 65.380 > 89 93 Zn 0.15068040982459 0.12500000000000 0.09545875825324 65.380 > 93 94 Zn 0.15068040982459 0.62500000000000 0.09545875825324 65.380 > 93 95 Zn 0.15068040982459 0.12500000000000 0.59545875825324 65.380 > 93 96 Zn 0.15068040982459 0.62500000000000 0.59545875825324 65.380 > 93 97 Ba 0.60069092272426 0.37500000000000 0.28862052632130 137.327 > 97 98 Ba 0.60069092272426 0.87500000000000 0.28862052632130 137.327 > 97 99 Ba 0.60069092272426 0.37500000000000 0.78862052632130 137.327 > 97 100 Ba 0.60069092272426 0.87500000000000 0.78862052632130 137.327 > 97 101 Ba 0.10069092272426 0.37500000000000 0.46137947367870 137.327 > 101 102 Ba 0.10069092272426 0.87500000000000 0.46137947367870 137.327 > 101 103 Ba 0.10069092272426 0.37500000000000 0.96137947367870 137.327 > 101 104 Ba 0.10069092272426 0.87500000000000 0.96137947367870 137.327 > 101 105 Ba 0.89930907727574 0.12500000000000 0.03862052632130 137.327 > 105 106 Ba 0.89930907727574 0.62500000000000 0.03862052632130 137.327 > 105 107 Ba 0.89930907727574 0.12500000000000 0.53862052632130 137.327 > 105 108 Ba 0.89930907727574 0.62500000000000 0.53862052632130 137.327 > 105 109 Ba 0.39930907727574 0.12500000000000 0.21137947367870 137.327 > 109 110 Ba 0.39930907727574 0.62500000000000 0.21137947367870 137.327 > 109 111 Ba 0.39930907727574 0.12500000000000 0.71137947367870 137.327 > 109 112 Ba 0.39930907727574 0.62500000000000 0.71137947367870 137.327 > 109 113 Dy 0.57465031785219 0.12500000000000 0.45040984323621 162.500 > 113 114 Dy 0.57465031785219 0.62500000000000 0.45040984323621 162.500 > 113 115 Dy 0.57465031785219 0.12500000000000 0.95040984323621 162.500 > 113 116 Dy 0.57465031785219 0.62500000000000 0.95040984323621 162.500 > 113 117 Dy 0.70773540799180 0.37500000000000 0.06006538675560 162.500 > 117 118 Dy 0.70773540799180 0.87500000000000 0.06006538675560 162.500 > 117 119 Dy 0.70773540799180 0.37500000000000 0.56006538675560 162.500 > 117 120 Dy 0.70773540799180 0.87500000000000 0.56006538675560 162.500 > 117 121 Dy 0.20773540799179 0.37500000000000 0.18993461324440 162.500 > 121 122 Dy 0.20773540799179 0.87500000000000 0.18993461324440 162.500 > 121 123 Dy 0.20773540799179 0.37500000000000 0.68993461324440 162.500 > 121 124 Dy 0.20773540799179 0.87500000000000 0.68993461324440 162.500 > 121 125 Dy 0.79226459200820 0.12500000000000 0.31006538675560 162.500 > 125 126 Dy 0.79226459200820 0.62500000000000 0.31006538675560 162.500 > 125 127 Dy 0.79226459200820 0.12500000000000 0.81006538675560 162.500 > 125 128 Dy 0.79226459200820 0.62500000000000 0.81006538675560 162.500 > 125 129 Dy 0.42534968214781 0.37500000000000 0.04959015676379 162.500 > 129 130 Dy 0.42534968214781 0.87500000000000 0.04959015676379 162.500 > 129 131 Dy 0.42534968214781 0.37500000000000 0.54959015676379 162.500 > 129 132 Dy 0.42534968214781 0.87500000000000 0.54959015676379 162.500 > 129 133 Dy 0.92534968214781 0.37500000000000 0.20040984323621 162.500 > 133 134 Dy 0.92534968214781 0.87500000000000 0.20040984323621 162.500 > 133 135 Dy 0.92534968214781 0.37500000000000 0.70040984323621 162.500 > 133 136 Dy 0.92534968214781 0.87500000000000 0.70040984323621 162.500 > 133 137 Dy 0.07465031785219 0.12500000000000 0.29959015676379 162.500 > 137 138 Dy 0.07465031785219 0.62500000000000 0.29959015676379 162.500 > 137 139 Dy 0.07465031785219 0.12500000000000 0.79959015676379 162.500 > 137 140 Dy 0.07465031785219 0.62500000000000 0.79959015676379 162.500 > 137 141 Dy 0.29226459200820 0.12500000000000 0.43993461324440 162.500 > 141 142 Dy 0.29226459200820 0.62500000000000 0.43993461324440 162.500 > 141 143 Dy 0.29226459200820 0.12500000000000 0.93993461324440 162.500 > 141 144 Dy 0.29226459200820 0.62500000000000 0.93993461324440 162.500 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6915862 0.0000000 0.0000000 0.0000000 4.6434400 0.0000000 0.0000000 0.0000000 4.5778368 -------------------------- Born effective charges -------------------------- 1 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 2 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 3 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 4 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 5 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 6 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 7 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 8 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 9 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 10 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 11 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 12 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 13 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 14 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 15 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 16 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 17 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 18 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 19 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 20 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 21 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 22 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 23 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 24 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 25 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 26 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 27 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 28 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 29 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 30 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 31 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 32 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 33 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 34 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 35 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 36 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 2026-01-07 21:54:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.680945220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.029311060000002 Atomic positions (fractional): 1 O 0.10081981906684 0.25000000000000 0.92391802790884 15.999 2 O 0.89918018093316 0.75000000000000 0.07608197209117 15.999 3 O 0.39918018093316 0.75000000000000 0.42391802790883 15.999 4 O 0.60081981906684 0.25000000000000 0.57608197209116 15.999 5 O 0.77546934836807 0.00054752627575 0.35937432063006 15.999 6 O 0.22453065163193 0.50054752627575 0.64062567936994 15.999 7 O 0.72453065163193 0.99945247372425 0.85937432063006 15.999 8 O 0.27546934836807 0.49945247372425 0.14062567936994 15.999 9 O 0.22453065163193 0.99945247372425 0.64062567936994 15.999 10 O 0.77546934836807 0.49945247372425 0.35937432063006 15.999 11 O 0.27546934836807 0.00054752627575 0.14062567936994 15.999 12 O 0.72453065163193 0.50054752627575 0.85937432063006 15.999 13 O 0.56533626814999 0.49805958322502 0.16547636825822 15.999 14 O 0.43466373185001 0.99805958322502 0.83452363174178 15.999 15 O 0.93466373185001 0.50194041677498 0.66547636825822 15.999 16 O 0.06533626814999 0.00194041677498 0.33452363174178 15.999 17 O 0.93466373185001 0.99805958322502 0.66547636825822 15.999 18 O 0.06533626814999 0.49805958322502 0.33452363174178 15.999 19 O 0.56533626814999 0.00194041677498 0.16547636825822 15.999 20 O 0.43466373185001 0.50194041677498 0.83452363174178 15.999 21 Zn 0.65068040982459 0.25000000000000 0.30908248349352 65.380 22 Zn 0.34931959017541 0.75000000000000 0.69091751650648 65.380 23 Zn 0.84931959017541 0.75000000000000 0.80908248349352 65.380 24 Zn 0.15068040982459 0.25000000000000 0.19091751650648 65.380 25 Ba 0.60069092272426 0.75000000000000 0.57724105264260 137.327 26 Ba 0.10069092272426 0.75000000000000 0.92275894735740 137.327 27 Ba 0.89930907727574 0.25000000000000 0.07724105264261 137.327 28 Ba 0.39930907727574 0.25000000000000 0.42275894735739 137.327 29 Dy 0.57465031785219 0.25000000000000 0.90081968647242 162.500 30 Dy 0.70773540799180 0.75000000000000 0.12013077351120 162.500 31 Dy 0.20773540799179 0.75000000000000 0.37986922648880 162.500 32 Dy 0.79226459200820 0.25000000000000 0.62013077351120 162.500 33 Dy 0.42534968214781 0.75000000000000 0.09918031352758 162.500 34 Dy 0.92534968214781 0.75000000000000 0.40081968647242 162.500 35 Dy 0.07465031785219 0.25000000000000 0.59918031352758 162.500 36 Dy 0.29226459200820 0.25000000000000 0.87986922648880 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.270551820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.361890440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.058622120000004 Atomic positions (fractional): 1 O 0.10081981906684 0.12500000000000 0.46195901395442 15.999 > 1 2 O 0.10081981906684 0.62500000000000 0.46195901395442 15.999 > 1 3 O 0.10081981906684 0.12500000000000 0.96195901395442 15.999 > 1 4 O 0.10081981906684 0.62500000000000 0.96195901395442 15.999 > 1 5 O 0.89918018093316 0.37500000000000 0.03804098604558 15.999 > 5 6 O 0.89918018093316 0.87500000000000 0.03804098604558 15.999 > 5 7 O 0.89918018093316 0.37500000000000 0.53804098604558 15.999 > 5 8 O 0.89918018093316 0.87500000000000 0.53804098604558 15.999 > 5 9 O 0.39918018093316 0.37500000000000 0.21195901395442 15.999 > 9 10 O 0.39918018093316 0.87500000000000 0.21195901395442 15.999 > 9 11 O 0.39918018093316 0.37500000000000 0.71195901395442 15.999 > 9 12 O 0.39918018093316 0.87500000000000 0.71195901395442 15.999 > 9 13 O 0.60081981906684 0.12500000000000 0.28804098604558 15.999 > 13 14 O 0.60081981906684 0.62500000000000 0.28804098604558 15.999 > 13 15 O 0.60081981906684 0.12500000000000 0.78804098604558 15.999 > 13 16 O 0.60081981906684 0.62500000000000 0.78804098604558 15.999 > 13 17 O 0.77546934836807 0.00027376313787 0.17968716031503 15.999 > 17 18 O 0.77546934836807 0.50027376313787 0.17968716031503 15.999 > 17 19 O 0.77546934836807 0.00027376313787 0.67968716031503 15.999 > 17 20 O 0.77546934836807 0.50027376313787 0.67968716031503 15.999 > 17 21 O 0.22453065163193 0.25027376313788 0.32031283968497 15.999 > 21 22 O 0.22453065163193 0.75027376313788 0.32031283968497 15.999 > 21 23 O 0.22453065163193 0.25027376313788 0.82031283968497 15.999 > 21 24 O 0.22453065163193 0.75027376313788 0.82031283968497 15.999 > 21 25 O 0.72453065163193 0.49972623686212 0.42968716031503 15.999 > 25 26 O 0.72453065163193 0.99972623686212 0.42968716031503 15.999 > 25 27 O 0.72453065163193 0.49972623686212 0.92968716031503 15.999 > 25 28 O 0.72453065163193 0.99972623686212 0.92968716031503 15.999 > 25 29 O 0.27546934836807 0.24972623686213 0.07031283968497 15.999 > 29 30 O 0.27546934836807 0.74972623686213 0.07031283968497 15.999 > 29 31 O 0.27546934836807 0.24972623686213 0.57031283968497 15.999 > 29 32 O 0.27546934836807 0.74972623686213 0.57031283968497 15.999 > 29 33 O 0.22453065163193 0.49972623686212 0.32031283968497 15.999 > 33 34 O 0.22453065163193 0.99972623686212 0.32031283968497 15.999 > 33 35 O 0.22453065163193 0.49972623686212 0.82031283968497 15.999 > 33 36 O 0.22453065163193 0.99972623686212 0.82031283968497 15.999 > 33 37 O 0.77546934836807 0.24972623686213 0.17968716031503 15.999 > 37 38 O 0.77546934836807 0.74972623686213 0.17968716031503 15.999 > 37 39 O 0.77546934836807 0.24972623686213 0.67968716031503 15.999 > 37 40 O 0.77546934836807 0.74972623686213 0.67968716031503 15.999 > 37 41 O 0.27546934836807 0.00027376313787 0.07031283968497 15.999 > 41 42 O 0.27546934836807 0.50027376313787 0.07031283968497 15.999 > 41 43 O 0.27546934836807 0.00027376313787 0.57031283968497 15.999 > 41 44 O 0.27546934836807 0.50027376313787 0.57031283968497 15.999 > 41 45 O 0.72453065163193 0.25027376313788 0.42968716031503 15.999 > 45 46 O 0.72453065163193 0.75027376313788 0.42968716031503 15.999 > 45 47 O 0.72453065163193 0.25027376313788 0.92968716031503 15.999 > 45 48 O 0.72453065163193 0.75027376313788 0.92968716031503 15.999 > 45 49 O 0.56533626814999 0.24902979161251 0.08273818412911 15.999 > 49 50 O 0.56533626814999 0.74902979161251 0.08273818412911 15.999 > 49 51 O 0.56533626814999 0.24902979161251 0.58273818412911 15.999 > 49 52 O 0.56533626814999 0.74902979161251 0.58273818412911 15.999 > 49 53 O 0.43466373185001 0.49902979161251 0.41726181587089 15.999 > 53 54 O 0.43466373185001 0.99902979161251 0.41726181587089 15.999 > 53 55 O 0.43466373185001 0.49902979161251 0.91726181587089 15.999 > 53 56 O 0.43466373185001 0.99902979161251 0.91726181587089 15.999 > 53 57 O 0.93466373185001 0.25097020838749 0.33273818412911 15.999 > 57 58 O 0.93466373185001 0.75097020838749 0.33273818412911 15.999 > 57 59 O 0.93466373185001 0.25097020838749 0.83273818412911 15.999 > 57 60 O 0.93466373185001 0.75097020838749 0.83273818412911 15.999 > 57 61 O 0.06533626814999 0.00097020838749 0.16726181587089 15.999 > 61 62 O 0.06533626814999 0.50097020838749 0.16726181587089 15.999 > 61 63 O 0.06533626814999 0.00097020838749 0.66726181587089 15.999 > 61 64 O 0.06533626814999 0.50097020838749 0.66726181587089 15.999 > 61 65 O 0.93466373185001 0.49902979161251 0.33273818412911 15.999 > 65 66 O 0.93466373185001 0.99902979161251 0.33273818412911 15.999 > 65 67 O 0.93466373185001 0.49902979161251 0.83273818412911 15.999 > 65 68 O 0.93466373185001 0.99902979161251 0.83273818412911 15.999 > 65 69 O 0.06533626814999 0.24902979161251 0.16726181587089 15.999 > 69 70 O 0.06533626814999 0.74902979161251 0.16726181587089 15.999 > 69 71 O 0.06533626814999 0.24902979161251 0.66726181587089 15.999 > 69 72 O 0.06533626814999 0.74902979161251 0.66726181587089 15.999 > 69 73 O 0.56533626814999 0.00097020838749 0.08273818412911 15.999 > 73 74 O 0.56533626814999 0.50097020838749 0.08273818412911 15.999 > 73 75 O 0.56533626814999 0.00097020838749 0.58273818412911 15.999 > 73 76 O 0.56533626814999 0.50097020838749 0.58273818412911 15.999 > 73 77 O 0.43466373185001 0.25097020838749 0.41726181587089 15.999 > 77 78 O 0.43466373185001 0.75097020838749 0.41726181587089 15.999 > 77 79 O 0.43466373185001 0.25097020838749 0.91726181587089 15.999 > 77 80 O 0.43466373185001 0.75097020838749 0.91726181587089 15.999 > 77 81 Zn 0.65068040982459 0.12500000000000 0.15454124174676 65.380 > 81 82 Zn 0.65068040982459 0.62500000000000 0.15454124174676 65.380 > 81 83 Zn 0.65068040982459 0.12500000000000 0.65454124174676 65.380 > 81 84 Zn 0.65068040982459 0.62500000000000 0.65454124174676 65.380 > 81 85 Zn 0.34931959017541 0.37500000000000 0.34545875825324 65.380 > 85 86 Zn 0.34931959017541 0.87500000000000 0.34545875825324 65.380 > 85 87 Zn 0.34931959017541 0.37500000000000 0.84545875825324 65.380 > 85 88 Zn 0.34931959017541 0.87500000000000 0.84545875825324 65.380 > 85 89 Zn 0.84931959017541 0.37500000000000 0.40454124174676 65.380 > 89 90 Zn 0.84931959017541 0.87500000000000 0.40454124174676 65.380 > 89 91 Zn 0.84931959017541 0.37500000000000 0.90454124174676 65.380 > 89 92 Zn 0.84931959017541 0.87500000000000 0.90454124174676 65.380 > 89 93 Zn 0.15068040982459 0.12500000000000 0.09545875825324 65.380 > 93 94 Zn 0.15068040982459 0.62500000000000 0.09545875825324 65.380 > 93 95 Zn 0.15068040982459 0.12500000000000 0.59545875825324 65.380 > 93 96 Zn 0.15068040982459 0.62500000000000 0.59545875825324 65.380 > 93 97 Ba 0.60069092272426 0.37500000000000 0.28862052632130 137.327 > 97 98 Ba 0.60069092272426 0.87500000000000 0.28862052632130 137.327 > 97 99 Ba 0.60069092272426 0.37500000000000 0.78862052632130 137.327 > 97 100 Ba 0.60069092272426 0.87500000000000 0.78862052632130 137.327 > 97 101 Ba 0.10069092272426 0.37500000000000 0.46137947367870 137.327 > 101 102 Ba 0.10069092272426 0.87500000000000 0.46137947367870 137.327 > 101 103 Ba 0.10069092272426 0.37500000000000 0.96137947367870 137.327 > 101 104 Ba 0.10069092272426 0.87500000000000 0.96137947367870 137.327 > 101 105 Ba 0.89930907727574 0.12500000000000 0.03862052632130 137.327 > 105 106 Ba 0.89930907727574 0.62500000000000 0.03862052632130 137.327 > 105 107 Ba 0.89930907727574 0.12500000000000 0.53862052632130 137.327 > 105 108 Ba 0.89930907727574 0.62500000000000 0.53862052632130 137.327 > 105 109 Ba 0.39930907727574 0.12500000000000 0.21137947367870 137.327 > 109 110 Ba 0.39930907727574 0.62500000000000 0.21137947367870 137.327 > 109 111 Ba 0.39930907727574 0.12500000000000 0.71137947367870 137.327 > 109 112 Ba 0.39930907727574 0.62500000000000 0.71137947367870 137.327 > 109 113 Dy 0.57465031785219 0.12500000000000 0.45040984323621 162.500 > 113 114 Dy 0.57465031785219 0.62500000000000 0.45040984323621 162.500 > 113 115 Dy 0.57465031785219 0.12500000000000 0.95040984323621 162.500 > 113 116 Dy 0.57465031785219 0.62500000000000 0.95040984323621 162.500 > 113 117 Dy 0.70773540799180 0.37500000000000 0.06006538675560 162.500 > 117 118 Dy 0.70773540799180 0.87500000000000 0.06006538675560 162.500 > 117 119 Dy 0.70773540799180 0.37500000000000 0.56006538675560 162.500 > 117 120 Dy 0.70773540799180 0.87500000000000 0.56006538675560 162.500 > 117 121 Dy 0.20773540799179 0.37500000000000 0.18993461324440 162.500 > 121 122 Dy 0.20773540799179 0.87500000000000 0.18993461324440 162.500 > 121 123 Dy 0.20773540799179 0.37500000000000 0.68993461324440 162.500 > 121 124 Dy 0.20773540799179 0.87500000000000 0.68993461324440 162.500 > 121 125 Dy 0.79226459200820 0.12500000000000 0.31006538675560 162.500 > 125 126 Dy 0.79226459200820 0.62500000000000 0.31006538675560 162.500 > 125 127 Dy 0.79226459200820 0.12500000000000 0.81006538675560 162.500 > 125 128 Dy 0.79226459200820 0.62500000000000 0.81006538675560 162.500 > 125 129 Dy 0.42534968214781 0.37500000000000 0.04959015676379 162.500 > 129 130 Dy 0.42534968214781 0.87500000000000 0.04959015676379 162.500 > 129 131 Dy 0.42534968214781 0.37500000000000 0.54959015676379 162.500 > 129 132 Dy 0.42534968214781 0.87500000000000 0.54959015676379 162.500 > 129 133 Dy 0.92534968214781 0.37500000000000 0.20040984323621 162.500 > 133 134 Dy 0.92534968214781 0.87500000000000 0.20040984323621 162.500 > 133 135 Dy 0.92534968214781 0.37500000000000 0.70040984323621 162.500 > 133 136 Dy 0.92534968214781 0.87500000000000 0.70040984323621 162.500 > 133 137 Dy 0.07465031785219 0.12500000000000 0.29959015676379 162.500 > 137 138 Dy 0.07465031785219 0.62500000000000 0.29959015676379 162.500 > 137 139 Dy 0.07465031785219 0.12500000000000 0.79959015676379 162.500 > 137 140 Dy 0.07465031785219 0.62500000000000 0.79959015676379 162.500 > 137 141 Dy 0.29226459200820 0.12500000000000 0.43993461324440 162.500 > 141 142 Dy 0.29226459200820 0.62500000000000 0.43993461324440 162.500 > 141 143 Dy 0.29226459200820 0.12500000000000 0.93993461324440 162.500 > 141 144 Dy 0.29226459200820 0.62500000000000 0.93993461324440 162.500 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6915862 0.0000000 0.0000000 0.0000000 4.6434400 0.0000000 0.0000000 0.0000000 4.5778368 -------------------------- Born effective charges -------------------------- 1 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 2 O -2.5737744 0.0000000 -0.0585611 0.0000000 -2.0508661 0.0000000 -0.0334911 0.0000000 -2.8716086 3 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 4 O -2.5737744 0.0000000 0.0585611 0.0000000 -2.0508661 0.0000000 0.0334911 0.0000000 -2.8716086 5 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 6 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 7 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 8 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 9 O -2.3851455 0.2817061 -0.1761941 0.2746260 -2.6942810 -0.4762123 -0.1937444 -0.4405228 -2.4746999 10 O -2.3851455 -0.2817061 -0.1761941 -0.2746260 -2.6942810 0.4762123 -0.1937444 0.4405228 -2.4746999 11 O -2.3851455 0.2817061 0.1761941 0.2746260 -2.6942810 0.4762123 0.1937444 0.4405228 -2.4746999 12 O -2.3851455 -0.2817061 0.1761941 -0.2746260 -2.6942810 -0.4762123 0.1937444 -0.4405228 -2.4746999 13 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 14 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 15 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 16 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 17 O -2.5965295 -0.1235507 0.1711597 -0.1735482 -2.6160376 0.0185539 0.0794441 -0.0199624 -2.1201676 18 O -2.5965295 0.1235507 0.1711597 0.1735482 -2.6160376 -0.0185539 0.0794441 0.0199624 -2.1201676 19 O -2.5965295 -0.1235507 -0.1711597 -0.1735482 -2.6160376 -0.0185539 -0.0794441 0.0199624 -2.1201676 20 O -2.5965295 0.1235507 -0.1711597 0.1735482 -2.6160376 0.0185539 -0.0794441 -0.0199624 -2.1201676 21 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 22 Zn 2.0017952 0.0000000 0.3077262 0.0000000 2.3218906 0.0000000 0.2864859 0.0000000 1.8669714 23 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 24 Zn 2.0017952 0.0000000 -0.3077262 0.0000000 2.3218906 0.0000000 -0.2864859 0.0000000 1.8669714 25 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 26 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 27 Ba 2.8733002 0.0000000 -0.1339980 0.0000000 2.8992055 0.0000000 -0.0876884 0.0000000 2.6055006 28 Ba 2.8733002 0.0000000 0.1339980 0.0000000 2.8992055 0.0000000 0.0876884 0.0000000 2.6055006 29 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 30 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 31 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 32 Dy 3.6557108 0.0000000 0.0713156 0.0000000 3.7420824 0.0000000 0.0980602 0.0000000 3.7788790 33 Dy 4.0063181 0.0000000 -0.0003846 0.0000000 3.7083249 0.0000000 -0.1089428 0.0000000 3.8099926 34 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 35 Dy 4.0063181 0.0000000 0.0003846 0.0000000 3.7083249 0.0000000 0.1089428 0.0000000 3.8099926 36 Dy 3.6557108 0.0000000 -0.0713156 0.0000000 3.7420824 0.0000000 -0.0980602 0.0000000 3.7788790 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.215 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.575 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.839 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.792 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 15.743 ( 0.000 0.000 0.000) 0.000 16.219 ( 0.000 0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 17.214 ( 0.000 0.000 0.000) 0.000 17.419 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 21.918 0.000 0.000) 21.918 0.652 ( 30.719 0.000 0.000) 30.719 1.090 ( 50.967 0.000 0.000) 50.967 1.302 ( -19.768 0.000 0.000) 19.768 1.660 ( -11.857 0.000 0.000) 11.857 2.132 ( 18.920 0.000 0.000) 18.920 2.201 ( 1.293 0.000 0.000) 1.293 2.245 ( -1.450 0.000 0.000) 1.450 2.574 ( 2.440 0.000 0.000) 2.440 2.703 ( -0.402 0.000 0.000) 0.402 2.777 ( -6.122 0.000 0.000) 6.122 2.785 ( -9.325 0.000 0.000) 9.325 2.806 ( -9.923 0.000 0.000) 9.923 2.904 ( 6.458 0.000 0.000) 6.458 2.912 ( 0.654 0.000 0.000) 0.654 3.044 ( -3.435 0.000 0.000) 3.435 3.101 ( -17.814 0.000 0.000) 17.814 3.164 ( 9.084 0.000 0.000) 9.084 3.307 ( -27.265 0.000 0.000) 27.265 3.395 ( -1.941 0.000 0.000) 1.941 3.419 ( -2.901 0.000 0.000) 2.901 3.422 ( 6.026 0.000 0.000) 6.026 3.519 ( -5.136 0.000 0.000) 5.136 3.551 ( 9.010 0.000 0.000) 9.010 3.655 ( -3.000 0.000 0.000) 3.000 3.773 ( 9.516 0.000 0.000) 9.516 3.934 ( -7.140 0.000 0.000) 7.140 4.047 ( -3.504 0.000 0.000) 3.504 4.118 ( -0.171 0.000 0.000) 0.171 4.120 ( -1.255 0.000 0.000) 1.255 4.204 ( 4.467 0.000 0.000) 4.467 4.402 ( -1.990 0.000 0.000) 1.990 4.449 ( 0.062 0.000 0.000) 0.062 4.667 ( -6.470 0.000 0.000) 6.470 4.701 ( 1.386 0.000 0.000) 1.386 4.720 ( 17.290 0.000 0.000) 17.290 4.762 ( -1.073 0.000 0.000) 1.073 4.934 ( 14.944 0.000 0.000) 14.944 5.072 ( -4.700 0.000 0.000) 4.700 5.221 ( 7.936 0.000 0.000) 7.936 5.253 ( 1.576 0.000 0.000) 1.576 5.407 ( -0.730 0.000 0.000) 0.730 5.417 ( -2.516 0.000 0.000) 2.516 5.612 ( -5.569 0.000 0.000) 5.569 5.675 ( 0.877 0.000 0.000) 0.877 5.793 ( -4.092 0.000 0.000) 4.092 5.879 ( 4.192 0.000 0.000) 4.192 6.039 ( -1.417 0.000 0.000) 1.417 6.247 ( 11.875 0.000 0.000) 11.875 6.579 ( -0.301 0.000 0.000) 0.301 6.972 ( 14.534 0.000 0.000) 14.534 7.050 ( -0.134 0.000 0.000) 0.134 7.127 ( -3.914 0.000 0.000) 3.914 7.393 ( 3.348 0.000 0.000) 3.348 7.444 ( -11.533 0.000 0.000) 11.533 7.486 ( -1.011 0.000 0.000) 1.011 7.672 ( -8.866 0.000 0.000) 8.866 7.969 ( 0.118 0.000 0.000) 0.118 7.972 ( -0.039 0.000 0.000) 0.039 7.995 ( -14.956 0.000 0.000) 14.956 8.077 ( 5.261 0.000 0.000) 5.261 8.431 ( -10.469 0.000 0.000) 10.469 8.527 ( 7.095 0.000 0.000) 7.095 8.653 ( 6.828 0.000 0.000) 6.828 8.898 ( 5.794 0.000 0.000) 5.794 8.925 ( 6.287 0.000 0.000) 6.287 9.056 ( 0.622 0.000 0.000) 0.622 9.058 ( 5.350 0.000 0.000) 5.350 9.152 ( -3.056 0.000 0.000) 3.056 9.291 ( -5.030 0.000 0.000) 5.030 9.925 ( -6.056 0.000 0.000) 6.056 10.012 ( -6.660 0.000 0.000) 6.660 10.186 ( -13.471 0.000 0.000) 13.471 10.236 ( -12.253 0.000 0.000) 12.253 10.547 ( 14.345 0.000 0.000) 14.345 10.706 ( 11.544 0.000 0.000) 11.544 10.749 ( 6.925 0.000 0.000) 6.925 10.787 ( 21.339 0.000 0.000) 21.339 11.212 ( 1.996 0.000 0.000) 1.996 11.266 ( -11.191 0.000 0.000) 11.191 11.310 ( -2.714 0.000 0.000) 2.714 11.607 ( 1.000 0.000 0.000) 1.000 11.643 ( -15.014 0.000 0.000) 15.014 11.700 ( -3.330 0.000 0.000) 3.330 12.246 ( 5.627 0.000 0.000) 5.627 12.405 ( -0.371 0.000 0.000) 0.371 12.830 ( -0.054 0.000 0.000) 0.054 12.922 ( -2.720 0.000 0.000) 2.720 13.394 ( 2.718 0.000 0.000) 2.718 13.444 ( 1.210 0.000 0.000) 1.210 13.526 ( -0.950 0.000 0.000) 0.950 13.628 ( -6.640 0.000 0.000) 6.640 13.882 ( 7.681 0.000 0.000) 7.681 14.188 ( -4.682 0.000 0.000) 4.682 14.211 ( 10.881 0.000 0.000) 10.881 14.641 ( -7.457 0.000 0.000) 7.457 15.112 ( 5.170 0.000 0.000) 5.170 15.409 ( -7.543 0.000 0.000) 7.543 15.751 ( 0.784 0.000 0.000) 0.784 15.793 ( -0.715 0.000 0.000) 0.715 16.396 ( 10.898 0.000 0.000) 10.898 16.810 ( 1.447 0.000 0.000) 1.447 16.866 ( -6.394 0.000 0.000) 6.394 17.030 ( -11.791 0.000 0.000) 11.791 17.503 ( 7.253 0.000 0.000) 7.253 17.603 ( 9.405 0.000 0.000) 9.405 17.788 ( -4.621 0.000 0.000) 4.621 17.859 ( -2.717 0.000 0.000) 2.717 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -20.785 0.000 0.000) 20.785 0.889 ( 20.785 0.000 0.000) 20.785 1.222 ( -24.161 0.000 0.000) 24.161 1.222 ( 24.161 0.000 0.000) 24.161 2.111 ( -30.382 0.000 0.000) 30.382 2.111 ( 30.382 0.000 0.000) 30.382 2.292 ( -18.848 0.000 0.000) 18.848 2.292 ( 18.848 0.000 0.000) 18.848 2.502 ( -16.904 0.000 0.000) 16.904 2.502 ( 16.904 0.000 0.000) 16.904 2.654 ( -5.462 0.000 0.000) 5.462 2.654 ( 5.462 0.000 0.000) 5.462 2.753 ( -5.330 0.000 0.000) 5.330 2.753 ( 5.330 0.000 0.000) 5.330 2.944 ( -1.982 0.000 0.000) 1.982 2.944 ( 1.982 0.000 0.000) 1.982 3.082 ( -6.628 0.000 0.000) 6.628 3.082 ( 6.628 0.000 0.000) 6.628 3.328 ( -6.434 0.000 0.000) 6.434 3.328 ( 6.434 0.000 0.000) 6.434 3.415 ( -3.689 0.000 0.000) 3.689 3.415 ( 3.689 0.000 0.000) 3.689 3.555 ( -6.513 0.000 0.000) 6.513 3.555 ( 6.513 0.000 0.000) 6.513 3.759 ( -10.086 0.000 0.000) 10.086 3.759 ( 10.086 0.000 0.000) 10.086 3.942 ( -6.747 0.000 0.000) 6.747 3.942 ( 6.747 0.000 0.000) 6.747 4.100 ( -0.013 0.000 0.000) 0.013 4.100 ( 0.013 0.000 0.000) 0.013 4.318 ( -5.822 0.000 0.000) 5.822 4.318 ( 5.822 0.000 0.000) 5.822 4.524 ( -6.495 0.000 0.000) 6.495 4.524 ( 6.495 0.000 0.000) 6.495 4.734 ( -1.636 0.000 0.000) 1.636 4.734 ( 1.636 0.000 0.000) 1.636 4.950 ( -7.607 0.000 0.000) 7.607 4.950 ( 7.607 0.000 0.000) 7.607 5.202 ( -7.843 0.000 0.000) 7.843 5.202 ( 7.843 0.000 0.000) 7.843 5.394 ( -0.168 0.000 0.000) 0.168 5.394 ( 0.168 0.000 0.000) 0.168 5.436 ( -11.405 0.000 0.000) 11.405 5.436 ( 11.405 0.000 0.000) 11.405 5.710 ( -3.007 0.000 0.000) 3.007 5.710 ( 3.007 0.000 0.000) 3.007 5.980 ( -4.471 0.000 0.000) 4.471 5.980 ( 4.471 0.000 0.000) 4.471 6.488 ( -9.637 0.000 0.000) 9.637 6.488 ( 9.637 0.000 0.000) 9.637 7.064 ( -1.856 0.000 0.000) 1.856 7.064 ( 1.856 0.000 0.000) 1.856 7.243 ( -8.753 0.000 0.000) 8.753 7.243 ( 8.753 0.000 0.000) 8.753 7.453 ( -2.337 0.000 0.000) 2.337 7.453 ( 2.337 0.000 0.000) 2.337 7.667 ( -12.130 0.000 0.000) 12.130 7.667 ( 12.130 0.000 0.000) 12.130 7.971 ( -0.096 0.000 0.000) 0.096 7.971 ( 0.096 0.000 0.000) 0.096 8.226 ( -9.064 0.000 0.000) 9.064 8.226 ( 9.064 0.000 0.000) 9.064 8.674 ( -5.228 0.000 0.000) 5.228 8.674 ( 5.228 0.000 0.000) 5.228 9.027 ( -3.217 0.000 0.000) 3.217 9.027 ( 3.217 0.000 0.000) 3.217 9.038 ( -6.284 0.000 0.000) 6.284 9.038 ( 6.284 0.000 0.000) 6.284 9.176 ( -5.030 0.000 0.000) 5.030 9.176 ( 5.030 0.000 0.000) 5.030 9.986 ( -10.452 0.000 0.000) 10.452 9.986 ( 10.452 0.000 0.000) 10.452 9.989 ( -4.691 0.000 0.000) 4.691 9.989 ( 4.691 0.000 0.000) 4.691 10.768 ( -5.665 0.000 0.000) 5.665 10.768 ( 5.665 0.000 0.000) 5.665 10.964 ( -12.445 0.000 0.000) 12.445 10.964 ( 12.445 0.000 0.000) 12.445 11.254 ( -2.379 0.000 0.000) 2.379 11.254 ( 2.379 0.000 0.000) 2.379 11.267 ( -19.884 0.000 0.000) 19.884 11.267 ( 19.884 0.000 0.000) 19.884 11.637 ( -2.236 0.000 0.000) 2.236 11.637 ( 2.236 0.000 0.000) 2.236 12.356 ( -4.401 0.000 0.000) 4.401 12.356 ( 4.401 0.000 0.000) 4.401 12.859 ( -2.786 0.000 0.000) 2.786 12.859 ( 2.786 0.000 0.000) 2.786 13.458 ( -1.560 0.000 0.000) 1.560 13.458 ( 1.560 0.000 0.000) 1.560 13.519 ( -2.201 0.000 0.000) 2.201 13.519 ( 2.201 0.000 0.000) 2.201 14.053 ( -8.159 0.000 0.000) 8.159 14.053 ( 8.159 0.000 0.000) 8.159 14.445 ( -11.213 0.000 0.000) 11.213 14.445 ( 11.213 0.000 0.000) 11.213 15.246 ( -7.734 0.000 0.000) 7.734 15.246 ( 7.734 0.000 0.000) 7.734 15.772 ( -1.202 0.000 0.000) 1.202 15.772 ( 1.202 0.000 0.000) 1.202 16.656 ( -13.296 0.000 0.000) 13.296 16.656 ( 13.296 0.000 0.000) 13.296 16.864 ( -4.377 0.000 0.000) 4.377 16.864 ( 4.377 0.000 0.000) 4.377 17.661 ( -7.477 0.000 0.000) 7.477 17.661 ( 7.477 0.000 0.000) 7.477 17.767 ( -6.375 0.000 0.000) 6.375 17.767 ( 6.375 0.000 0.000) 6.375 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 22.499 0.000) 22.499 0.510 ( 0.000 25.957 0.000) 25.957 1.186 ( 0.000 58.968 0.000) 58.968 1.812 ( 0.000 1.990 0.000) 1.990 1.890 ( 0.000 19.971 0.000) 19.971 1.987 ( 0.000 13.919 0.000) 13.919 2.161 ( 0.000 -0.307 0.000) 0.307 2.274 ( 0.000 2.526 0.000) 2.526 2.583 ( 0.000 3.992 0.000) 3.992 2.628 ( 0.000 -4.882 0.000) 4.882 2.737 ( 0.000 -3.721 0.000) 3.721 2.796 ( 0.000 -2.739 0.000) 2.739 2.877 ( 0.000 -4.735 0.000) 4.735 2.895 ( 0.000 1.000 0.000) 1.000 3.045 ( 0.000 8.594 0.000) 8.594 3.073 ( 0.000 -2.642 0.000) 2.642 3.139 ( 0.000 -5.129 0.000) 5.129 3.246 ( 0.000 -3.233 0.000) 3.233 3.372 ( 0.000 3.971 0.000) 3.971 3.386 ( 0.000 -1.650 0.000) 1.650 3.493 ( 0.000 0.979 0.000) 0.979 3.650 ( 0.000 -0.335 0.000) 0.335 3.703 ( 0.000 18.665 0.000) 18.665 3.716 ( 0.000 -1.306 0.000) 1.306 3.752 ( 0.000 7.005 0.000) 7.005 3.862 ( 0.000 -0.061 0.000) 0.061 3.969 ( 0.000 -2.598 0.000) 2.598 4.042 ( 0.000 5.951 0.000) 5.951 4.099 ( 0.000 -2.440 0.000) 2.440 4.104 ( 0.000 0.175 0.000) 0.175 4.291 ( 0.000 14.569 0.000) 14.569 4.432 ( 0.000 -2.355 0.000) 2.355 4.469 ( 0.000 -6.387 0.000) 6.387 4.576 ( 0.000 19.423 0.000) 19.423 4.651 ( 0.000 14.976 0.000) 14.976 4.707 ( 0.000 1.283 0.000) 1.283 4.715 ( 0.000 -0.275 0.000) 0.275 4.927 ( 0.000 8.548 0.000) 8.548 5.158 ( 0.000 2.771 0.000) 2.771 5.212 ( 0.000 8.762 0.000) 8.762 5.228 ( 0.000 2.149 0.000) 2.149 5.443 ( 0.000 0.130 0.000) 0.130 5.447 ( 0.000 -1.236 0.000) 1.236 5.611 ( 0.000 -4.865 0.000) 4.865 5.710 ( 0.000 4.313 0.000) 4.313 5.719 ( 0.000 8.113 0.000) 8.113 6.074 ( 0.000 1.251 0.000) 1.251 6.178 ( 0.000 6.881 0.000) 6.881 6.231 ( 0.000 37.628 0.000) 37.628 6.857 ( 0.000 5.892 0.000) 5.892 7.110 ( 0.000 5.411 0.000) 5.411 7.166 ( 0.000 -1.232 0.000) 1.232 7.288 ( 0.000 -1.640 0.000) 1.640 7.475 ( 0.000 -2.155 0.000) 2.155 7.508 ( 0.000 16.689 0.000) 16.689 7.558 ( 0.000 -3.124 0.000) 3.124 7.688 ( 0.000 -7.310 0.000) 7.310 7.942 ( 0.000 -2.998 0.000) 2.998 7.947 ( 0.000 -1.215 0.000) 1.215 8.197 ( 0.000 12.695 0.000) 12.695 8.254 ( 0.000 4.741 0.000) 4.741 8.352 ( 0.000 3.749 0.000) 3.749 8.583 ( 0.000 0.545 0.000) 0.545 8.595 ( 0.000 3.800 0.000) 3.800 8.809 ( 0.000 -0.510 0.000) 0.510 8.988 ( 0.000 12.941 0.000) 12.941 9.241 ( 0.000 18.731 0.000) 18.731 9.321 ( 0.000 -3.173 0.000) 3.173 9.365 ( 0.000 14.038 0.000) 14.038 9.503 ( 0.000 1.263 0.000) 1.263 9.640 ( 0.000 6.729 0.000) 6.729 10.130 ( 0.000 -6.973 0.000) 6.973 10.275 ( 0.000 7.846 0.000) 7.846 10.318 ( 0.000 7.708 0.000) 7.708 10.408 ( 0.000 -1.227 0.000) 1.227 10.481 ( 0.000 -0.623 0.000) 0.623 10.663 ( 0.000 7.094 0.000) 7.094 10.695 ( 0.000 14.058 0.000) 14.058 11.135 ( 0.000 1.401 0.000) 1.401 11.479 ( 0.000 3.494 0.000) 3.494 11.485 ( 0.000 13.346 0.000) 13.346 11.619 ( 0.000 2.468 0.000) 2.468 11.776 ( 0.000 3.664 0.000) 3.664 11.831 ( 0.000 2.194 0.000) 2.194 12.268 ( 0.000 8.535 0.000) 8.535 12.382 ( 0.000 -1.356 0.000) 1.356 12.518 ( 0.000 7.456 0.000) 7.456 12.919 ( 0.000 -3.575 0.000) 3.575 13.330 ( 0.000 -3.400 0.000) 3.400 13.406 ( 0.000 -2.820 0.000) 2.820 13.487 ( 0.000 -5.087 0.000) 5.087 13.716 ( 0.000 0.202 0.000) 0.202 13.763 ( 0.000 -3.234 0.000) 3.234 14.244 ( 0.000 0.918 0.000) 0.918 14.328 ( 0.000 3.129 0.000) 3.129 14.699 ( 0.000 -1.993 0.000) 1.993 15.041 ( 0.000 -1.438 0.000) 1.438 15.454 ( 0.000 -4.676 0.000) 4.676 15.703 ( 0.000 -3.870 0.000) 3.870 16.250 ( 0.000 3.199 0.000) 3.199 16.450 ( 0.000 -8.153 0.000) 8.153 16.537 ( 0.000 3.986 0.000) 3.986 16.899 ( 0.000 -3.862 0.000) 3.862 17.192 ( 0.000 -2.623 0.000) 2.623 17.355 ( 0.000 -6.160 0.000) 6.160 17.363 ( 0.000 -7.943 0.000) 7.943 17.761 ( 0.000 -3.293 0.000) 3.293 17.839 ( 0.000 -4.560 0.000) 4.560 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 23.439 15.103 0.000) 27.884 0.952 ( 25.787 18.854 0.000) 31.944 1.413 ( 24.799 39.690 0.000) 46.800 1.626 ( -14.933 25.490 0.000) 29.542 1.700 ( -9.054 4.724 0.000) 10.212 2.179 ( 4.394 0.962 0.000) 4.498 2.183 ( 1.587 -1.245 0.000) 2.017 2.340 ( 9.648 9.853 0.000) 13.790 2.609 ( 2.572 4.097 0.000) 4.837 2.648 ( 0.878 -4.931 0.000) 5.009 2.752 ( -5.880 -1.148 0.000) 5.991 2.797 ( -4.211 -3.801 0.000) 5.673 2.812 ( 4.266 -3.974 0.000) 5.830 2.890 ( 0.359 -0.305 0.000) 0.471 2.913 ( -9.498 7.868 0.000) 12.334 3.008 ( -4.890 0.036 0.000) 4.890 3.055 ( -10.451 -3.297 0.000) 10.958 3.278 ( -31.665 -1.577 0.000) 31.704 3.306 ( 5.488 2.596 0.000) 6.072 3.388 ( 4.940 -0.658 0.000) 4.983 3.466 ( -2.420 0.862 0.000) 2.569 3.516 ( 8.109 2.717 0.000) 8.552 3.618 ( -1.291 12.161 0.000) 12.229 3.657 ( -2.662 1.641 0.000) 3.128 3.688 ( -3.730 4.816 0.000) 6.091 3.850 ( -4.913 0.382 0.000) 4.928 3.937 ( 10.644 11.531 0.000) 15.693 4.078 ( -0.457 -2.390 0.000) 2.433 4.083 ( -1.169 -2.676 0.000) 2.920 4.276 ( -5.177 13.636 0.000) 14.586 4.313 ( 2.315 11.639 0.000) 11.867 4.379 ( 3.642 4.139 0.000) 5.513 4.483 ( -0.350 -5.410 0.000) 5.422 4.530 ( -7.214 -1.317 0.000) 7.333 4.694 ( 8.143 6.691 0.000) 10.539 4.797 ( 9.003 6.684 0.000) 11.213 4.925 ( -3.019 7.875 0.000) 8.434 4.956 ( 14.426 2.572 0.000) 14.653 5.102 ( -4.632 2.979 0.000) 5.507 5.245 ( 0.668 0.173 0.000) 0.690 5.275 ( 5.811 6.143 0.000) 8.456 5.409 ( -1.012 -0.619 0.000) 1.187 5.417 ( -1.984 0.156 0.000) 1.990 5.653 ( -5.450 4.240 0.000) 6.905 5.674 ( 4.158 0.106 0.000) 4.159 5.756 ( 1.288 4.760 0.000) 4.931 6.070 ( -0.342 1.422 0.000) 1.463 6.089 ( -2.508 12.663 0.000) 12.909 6.463 ( 15.849 27.576 0.000) 31.806 6.982 ( 8.396 2.562 0.000) 8.778 7.098 ( -6.202 11.260 0.000) 12.855 7.135 ( 4.644 7.542 0.000) 8.857 7.159 ( -10.903 20.954 0.000) 23.621 7.371 ( 2.298 -0.911 0.000) 2.472 7.457 ( -13.092 2.623 0.000) 13.353 7.466 ( -0.724 -1.929 0.000) 2.060 7.619 ( -5.233 -3.951 0.000) 6.557 7.886 ( -4.043 -3.463 0.000) 5.323 7.944 ( 0.200 -2.799 0.000) 2.806 8.102 ( -12.783 5.985 0.000) 14.114 8.164 ( 0.385 7.603 0.000) 7.612 8.386 ( -3.795 -0.788 0.000) 3.876 8.604 ( 6.796 3.670 0.000) 7.723 8.731 ( 8.304 5.334 0.000) 9.870 8.860 ( 4.250 -0.293 0.000) 4.260 8.871 ( 1.708 4.263 0.000) 4.593 9.244 ( 0.065 16.916 0.000) 16.916 9.299 ( -1.144 0.615 0.000) 1.298 9.333 ( -2.444 15.086 0.000) 15.282 9.393 ( -1.279 21.007 0.000) 21.046 9.943 ( -0.730 1.510 0.000) 1.677 10.020 ( -8.705 4.188 0.000) 9.660 10.210 ( -2.084 -0.388 0.000) 2.120 10.317 ( -7.356 6.371 0.000) 9.732 10.647 ( 13.357 -4.063 0.000) 13.961 10.653 ( 14.510 9.605 0.000) 17.401 10.747 ( 6.041 5.534 0.000) 8.192 10.798 ( 16.758 -0.967 0.000) 16.786 11.140 ( -0.783 -0.490 0.000) 0.924 11.411 ( -4.276 8.541 0.000) 9.552 11.443 ( -3.503 12.108 0.000) 12.604 11.599 ( -6.957 0.030 0.000) 6.957 11.689 ( -7.107 4.285 0.000) 8.299 11.736 ( -3.140 3.838 0.000) 4.958 12.311 ( 3.585 6.260 0.000) 7.214 12.405 ( 0.777 0.115 0.000) 0.785 12.635 ( 7.016 -5.810 0.000) 9.109 12.871 ( -4.378 -5.003 0.000) 6.648 13.371 ( 4.009 -2.432 0.000) 4.689 13.423 ( 1.511 -3.366 0.000) 3.689 13.481 ( -0.680 -4.507 0.000) 4.558 13.640 ( -6.409 -0.808 0.000) 6.460 13.855 ( 6.873 -0.813 0.000) 6.921 14.182 ( -5.811 -0.099 0.000) 5.812 14.299 ( 2.689 5.147 0.000) 5.807 14.617 ( -7.168 -2.023 0.000) 7.448 15.097 ( 4.913 -1.610 0.000) 5.170 15.373 ( -6.799 -3.679 0.000) 7.731 15.738 ( 3.315 -1.249 0.000) 3.542 16.023 ( -13.888 13.015 0.000) 19.033 16.409 ( 9.439 1.014 0.000) 9.493 16.701 ( 4.562 -7.993 0.000) 9.203 16.820 ( -6.415 -4.946 0.000) 8.100 17.004 ( -12.437 -2.288 0.000) 12.646 17.426 ( 8.044 -7.678 0.000) 11.120 17.550 ( 9.737 -5.031 0.000) 10.960 17.727 ( -4.190 -5.147 0.000) 6.637 17.813 ( -2.801 -4.559 0.000) 5.350 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -9.647 13.300 0.000) 16.431 1.281 ( 9.647 13.300 0.000) 16.431 1.341 ( -2.776 25.057 0.000) 25.211 1.341 ( 2.776 25.057 0.000) 25.211 2.143 ( -14.900 4.165 0.000) 15.471 2.143 ( 14.900 4.165 0.000) 15.471 2.308 ( -27.244 4.783 0.000) 27.661 2.308 ( 27.244 4.783 0.000) 27.661 2.586 ( -10.700 1.702 0.000) 10.834 2.586 ( 10.700 1.702 0.000) 10.834 2.687 ( -4.285 5.347 0.000) 6.852 2.687 ( 4.285 5.347 0.000) 6.852 2.779 ( -2.469 2.776 0.000) 3.715 2.779 ( 2.469 2.776 0.000) 3.715 2.921 ( -2.029 -1.193 0.000) 2.354 2.921 ( 2.029 -1.193 0.000) 2.354 2.976 ( -7.456 -6.940 0.000) 10.186 2.976 ( 7.456 -6.940 0.000) 10.186 3.401 ( -3.860 0.605 0.000) 3.907 3.401 ( 3.860 0.605 0.000) 3.907 3.535 ( -7.967 0.931 0.000) 8.021 3.535 ( 7.967 0.931 0.000) 8.021 3.619 ( -3.117 13.773 0.000) 14.121 3.619 ( 3.117 13.773 0.000) 14.121 3.721 ( -8.274 -2.455 0.000) 8.631 3.721 ( 8.274 -2.455 0.000) 8.631 4.054 ( -0.513 -0.578 0.000) 0.773 4.054 ( 0.513 -0.578 0.000) 0.773 4.146 ( -7.523 11.235 0.000) 13.521 4.146 ( 7.523 11.235 0.000) 13.521 4.385 ( -4.540 6.173 0.000) 7.662 4.385 ( 4.540 6.173 0.000) 7.662 4.453 ( -1.789 -0.430 0.000) 1.840 4.453 ( 1.789 -0.430 0.000) 1.840 4.825 ( -5.644 8.112 0.000) 9.882 4.825 ( 5.644 8.112 0.000) 9.882 4.979 ( -7.630 2.228 0.000) 7.949 4.979 ( 7.630 2.228 0.000) 7.949 5.189 ( -7.035 -0.363 0.000) 7.045 5.189 ( 7.035 -0.363 0.000) 7.045 5.372 ( -2.527 -1.138 0.000) 2.771 5.372 ( 2.527 -1.138 0.000) 2.771 5.496 ( -8.938 5.298 0.000) 10.390 5.496 ( 8.938 5.298 0.000) 10.390 5.743 ( -2.311 4.772 0.000) 5.302 5.743 ( 2.311 4.772 0.000) 5.302 6.067 ( -0.225 4.737 0.000) 4.743 6.067 ( 0.225 4.737 0.000) 4.743 6.828 ( -18.320 32.635 0.000) 37.425 6.828 ( 18.320 32.635 0.000) 37.425 7.062 ( -2.158 0.155 0.000) 2.163 7.062 ( 2.158 0.155 0.000) 2.163 7.276 ( -4.605 2.682 0.000) 5.329 7.276 ( 4.605 2.682 0.000) 5.329 7.431 ( -2.970 -1.803 0.000) 3.474 7.431 ( 2.970 -1.803 0.000) 3.474 7.671 ( -13.181 0.980 0.000) 13.218 7.671 ( 13.181 0.980 0.000) 13.218 7.956 ( -1.593 -1.328 0.000) 2.074 7.956 ( 1.593 -1.328 0.000) 2.074 8.246 ( -6.780 2.404 0.000) 7.193 8.246 ( 6.780 2.404 0.000) 7.193 8.777 ( -5.321 8.758 0.000) 10.247 8.777 ( 5.321 8.758 0.000) 10.247 8.920 ( -0.031 -2.285 0.000) 2.285 8.920 ( 0.031 -2.285 0.000) 2.285 9.258 ( -1.776 7.015 0.000) 7.237 9.258 ( 1.776 7.015 0.000) 7.237 9.322 ( -2.994 18.386 0.000) 18.628 9.322 ( 2.994 18.386 0.000) 18.628 9.991 ( -3.191 5.532 0.000) 6.387 9.991 ( 3.191 5.532 0.000) 6.387 10.121 ( -7.626 9.287 0.000) 12.017 10.121 ( 7.626 9.287 0.000) 12.017 10.814 ( -1.010 4.433 0.000) 4.547 10.814 ( 1.010 4.433 0.000) 4.547 10.929 ( -6.995 -2.453 0.000) 7.412 10.929 ( 6.995 -2.453 0.000) 7.412 11.279 ( -17.301 1.535 0.000) 17.369 11.279 ( 17.301 1.535 0.000) 17.369 11.379 ( -1.640 10.499 0.000) 10.627 11.379 ( 1.640 10.499 0.000) 10.627 11.680 ( -1.879 4.345 0.000) 4.734 11.680 ( 1.879 4.345 0.000) 4.734 12.383 ( -2.787 2.757 0.000) 3.920 12.383 ( 2.787 2.757 0.000) 3.920 12.762 ( -5.883 -7.541 0.000) 9.564 12.762 ( 5.883 -7.541 0.000) 9.564 13.457 ( -1.576 -3.980 0.000) 4.281 13.457 ( 1.576 -3.980 0.000) 4.281 13.488 ( -7.184 -0.283 0.000) 7.190 13.488 ( 7.184 -0.283 0.000) 7.190 14.025 ( -8.936 -1.430 0.000) 9.050 14.025 ( 8.936 -1.430 0.000) 9.050 14.442 ( -9.192 -0.174 0.000) 9.194 14.442 ( 9.192 -0.174 0.000) 9.194 15.223 ( -7.204 -2.377 0.000) 7.586 15.223 ( 7.204 -2.377 0.000) 7.586 15.834 ( -6.244 5.147 0.000) 8.092 15.834 ( 6.244 5.147 0.000) 8.092 16.641 ( -11.505 -2.125 0.000) 11.700 16.641 ( 11.505 -2.125 0.000) 11.700 16.798 ( -6.518 -5.420 0.000) 8.477 16.798 ( 6.518 -5.420 0.000) 8.477 17.598 ( -7.969 -6.134 0.000) 10.056 17.598 ( 7.969 -6.134 0.000) 10.056 17.718 ( -6.525 -4.763 0.000) 8.079 17.718 ( 6.525 -4.763 0.000) 8.079 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 23.160 0.000) 23.160 1.011 ( 0.000 25.093 0.000) 25.093 1.856 ( 0.000 2.953 0.000) 2.953 2.140 ( 0.000 1.688 0.000) 1.688 2.153 ( 0.000 -0.494 0.000) 0.494 2.214 ( 0.000 11.443 0.000) 11.443 2.271 ( 0.000 49.321 0.000) 49.321 2.398 ( 0.000 7.785 0.000) 7.785 2.510 ( 0.000 -6.829 0.000) 6.829 2.639 ( 0.000 -6.066 0.000) 6.066 2.702 ( 0.000 -6.331 0.000) 6.331 2.737 ( 0.000 10.583 0.000) 10.583 2.820 ( 0.000 -0.661 0.000) 0.661 3.029 ( 0.000 -0.870 0.000) 0.870 3.042 ( 0.000 -3.440 0.000) 3.440 3.043 ( 0.000 13.509 0.000) 13.509 3.069 ( 0.000 -12.112 0.000) 12.112 3.227 ( 0.000 9.207 0.000) 9.207 3.412 ( 0.000 2.343 0.000) 2.343 3.434 ( 0.000 -6.468 0.000) 6.468 3.441 ( 0.000 -15.870 0.000) 15.870 3.449 ( 0.000 3.306 0.000) 3.306 3.655 ( 0.000 0.139 0.000) 0.139 3.786 ( 0.000 -2.426 0.000) 2.426 3.891 ( 0.000 -2.347 0.000) 2.347 3.915 ( 0.000 -4.204 0.000) 4.204 4.024 ( 0.000 8.140 0.000) 8.140 4.037 ( 0.000 -3.837 0.000) 3.837 4.130 ( 0.000 3.165 0.000) 3.165 4.248 ( 0.000 12.238 0.000) 12.238 4.334 ( 0.000 -3.761 0.000) 3.761 4.555 ( 0.000 14.608 0.000) 14.608 4.603 ( 0.000 -6.101 0.000) 6.101 4.704 ( 0.000 -0.582 0.000) 0.582 4.713 ( 0.000 23.606 0.000) 23.606 4.945 ( 0.000 11.061 0.000) 11.061 5.024 ( 0.000 15.524 0.000) 15.524 5.043 ( 0.000 3.607 0.000) 3.607 5.243 ( 0.000 5.613 0.000) 5.613 5.299 ( 0.000 5.169 0.000) 5.169 5.413 ( 0.000 -1.982 0.000) 1.982 5.446 ( 0.000 0.186 0.000) 0.186 5.517 ( 0.000 -3.349 0.000) 3.349 5.563 ( 0.000 26.953 0.000) 26.953 5.851 ( 0.000 10.932 0.000) 10.932 5.994 ( 0.000 18.879 0.000) 18.879 6.043 ( 0.000 -4.716 0.000) 4.716 6.305 ( 0.000 6.012 0.000) 6.012 7.040 ( 0.000 10.859 0.000) 10.859 7.134 ( 0.000 -1.929 0.000) 1.929 7.153 ( 0.000 50.064 0.000) 50.064 7.242 ( 0.000 -2.767 0.000) 2.767 7.269 ( 0.000 11.600 0.000) 11.600 7.416 ( 0.000 -3.312 0.000) 3.312 7.480 ( 0.000 -4.610 0.000) 4.610 7.576 ( 0.000 -3.886 0.000) 3.886 7.750 ( 0.000 0.159 0.000) 0.159 7.866 ( 0.000 -4.508 0.000) 4.508 8.079 ( 0.000 19.070 0.000) 19.070 8.384 ( 0.000 7.972 0.000) 7.972 8.436 ( 0.000 10.696 0.000) 10.696 8.455 ( 0.000 7.463 0.000) 7.463 8.604 ( 0.000 1.806 0.000) 1.806 8.611 ( 0.000 -1.678 0.000) 1.678 8.880 ( 0.000 6.989 0.000) 6.989 9.195 ( 0.000 0.761 0.000) 0.761 9.217 ( 0.000 -1.989 0.000) 1.989 9.574 ( 0.000 6.737 0.000) 6.737 9.658 ( 0.000 15.525 0.000) 15.525 9.672 ( 0.000 21.513 0.000) 21.513 9.926 ( 0.000 10.171 0.000) 10.171 10.024 ( 0.000 9.302 0.000) 9.302 10.361 ( 0.000 -1.442 0.000) 1.442 10.426 ( 0.000 -5.133 0.000) 5.133 10.541 ( 0.000 18.200 0.000) 18.200 10.646 ( 0.000 24.131 0.000) 24.131 10.787 ( 0.000 4.541 0.000) 4.541 11.033 ( 0.000 20.518 0.000) 20.518 11.218 ( 0.000 7.263 0.000) 7.263 11.616 ( 0.000 11.378 0.000) 11.378 11.694 ( 0.000 5.370 0.000) 5.370 11.743 ( 0.000 8.854 0.000) 8.854 11.871 ( 0.000 5.694 0.000) 5.694 11.950 ( 0.000 12.079 0.000) 12.079 12.357 ( 0.000 -0.923 0.000) 0.923 12.459 ( 0.000 9.577 0.000) 9.577 12.679 ( 0.000 7.096 0.000) 7.096 12.792 ( 0.000 -10.048 0.000) 10.048 13.257 ( 0.000 -3.378 0.000) 3.378 13.302 ( 0.000 -8.180 0.000) 8.180 13.335 ( 0.000 -10.470 0.000) 10.470 13.657 ( 0.000 -7.731 0.000) 7.731 13.790 ( 0.000 9.276 0.000) 9.276 14.280 ( 0.000 2.729 0.000) 2.729 14.418 ( 0.000 5.992 0.000) 5.992 14.689 ( 0.000 2.627 0.000) 2.627 14.980 ( 0.000 -5.563 0.000) 5.563 15.326 ( 0.000 -8.132 0.000) 8.132 15.610 ( 0.000 -4.731 0.000) 4.731 16.205 ( 0.000 -15.949 0.000) 15.949 16.358 ( 0.000 7.236 0.000) 7.236 16.650 ( 0.000 7.370 0.000) 7.370 16.777 ( 0.000 -8.889 0.000) 8.889 17.052 ( 0.000 -13.150 0.000) 13.150 17.206 ( 0.000 -8.120 0.000) 8.120 17.213 ( 0.000 -5.408 0.000) 5.408 17.665 ( 0.000 -6.524 0.000) 6.524 17.705 ( 0.000 -9.165 0.000) 9.165 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 14.128 20.090 0.000) 24.560 1.242 ( 27.370 15.126 0.000) 31.272 1.775 ( -8.284 5.740 0.000) 10.078 2.051 ( -9.117 14.333 0.000) 16.987 2.160 ( 0.548 -1.048 0.000) 1.183 2.186 ( -0.980 1.523 0.000) 1.811 2.339 ( 7.747 41.440 0.000) 42.158 2.457 ( 3.802 1.652 0.000) 4.145 2.529 ( 0.988 -5.131 0.000) 5.226 2.681 ( 4.269 -5.946 0.000) 7.319 2.691 ( -1.337 -5.217 0.000) 5.385 2.765 ( -2.969 -2.125 0.000) 3.651 2.783 ( 4.281 10.237 0.000) 11.097 2.966 ( -5.749 -0.681 0.000) 5.789 3.008 ( -1.787 3.533 0.000) 3.959 3.009 ( -3.308 6.376 0.000) 7.183 3.071 ( -3.540 2.490 0.000) 4.328 3.201 ( 1.492 -4.805 0.000) 5.031 3.287 ( -21.367 2.688 0.000) 21.535 3.416 ( -3.788 -5.291 0.000) 6.508 3.458 ( 5.183 4.076 0.000) 6.594 3.542 ( 6.068 0.519 0.000) 6.090 3.580 ( -2.823 -2.990 0.000) 4.112 3.677 ( -5.866 0.323 0.000) 5.875 3.756 ( -0.102 0.645 0.000) 0.653 3.957 ( -0.556 -2.081 0.000) 2.154 4.000 ( 6.614 -4.754 0.000) 8.145 4.034 ( 1.233 -3.950 0.000) 4.138 4.105 ( -8.287 5.517 0.000) 9.956 4.351 ( 1.356 3.739 0.000) 3.977 4.425 ( -8.869 -6.035 0.000) 10.728 4.512 ( -3.574 14.000 0.000) 14.449 4.568 ( 17.999 6.165 0.000) 19.025 4.758 ( 3.335 22.074 0.000) 22.324 4.891 ( 8.236 1.460 0.000) 8.365 4.937 ( 0.812 11.871 0.000) 11.899 5.043 ( -0.873 4.184 0.000) 4.274 5.089 ( 5.932 10.229 0.000) 11.824 5.180 ( -6.027 3.880 0.000) 7.168 5.280 ( -1.766 4.472 0.000) 4.808 5.343 ( -2.457 -1.328 0.000) 2.792 5.418 ( -2.604 0.173 0.000) 2.610 5.570 ( 3.824 16.684 0.000) 17.117 5.692 ( 9.339 5.019 0.000) 10.602 5.799 ( -4.757 11.422 0.000) 12.373 5.984 ( -3.169 11.998 0.000) 12.409 6.054 ( 3.049 1.335 0.000) 3.328 6.261 ( -4.187 7.597 0.000) 8.674 7.052 ( 1.939 8.972 0.000) 9.179 7.107 ( -1.784 -0.443 0.000) 1.839 7.194 ( 2.600 21.068 0.000) 21.228 7.279 ( 2.689 -3.403 0.000) 4.337 7.360 ( 3.379 15.201 0.000) 15.572 7.377 ( -5.950 -2.470 0.000) 6.443 7.450 ( 7.993 9.248 0.000) 12.224 7.584 ( 1.519 4.732 0.000) 4.970 7.757 ( -0.462 1.254 0.000) 1.337 7.872 ( 0.877 -4.073 0.000) 4.166 7.986 ( -12.892 28.761 0.000) 31.518 8.229 ( -14.118 7.443 0.000) 15.959 8.321 ( -4.706 7.572 0.000) 8.916 8.415 ( -4.258 3.132 0.000) 5.286 8.657 ( 11.692 2.840 0.000) 12.032 8.753 ( 8.367 -1.008 0.000) 8.427 8.965 ( 6.134 8.144 0.000) 10.196 9.014 ( -5.687 7.051 0.000) 9.059 9.273 ( 3.586 -2.571 0.000) 4.412 9.542 ( -10.283 11.186 0.000) 15.194 9.691 ( 1.081 19.433 0.000) 19.463 9.858 ( -5.675 19.215 0.000) 20.035 9.989 ( 12.948 7.681 0.000) 15.055 10.163 ( 18.803 0.972 0.000) 18.828 10.247 ( -6.394 16.405 0.000) 17.607 10.486 ( -1.066 13.220 0.000) 13.263 10.597 ( 14.965 -4.999 0.000) 15.778 10.799 ( 2.564 3.067 0.000) 3.998 10.828 ( 5.842 9.757 0.000) 11.372 11.020 ( 0.555 21.009 0.000) 21.016 11.223 ( 1.227 8.073 0.000) 8.165 11.590 ( -2.070 10.850 0.000) 11.045 11.612 ( -12.259 1.393 0.000) 12.338 11.673 ( -3.807 8.464 0.000) 9.281 11.840 ( -5.267 11.452 0.000) 12.605 11.844 ( -2.152 6.620 0.000) 6.961 12.420 ( 3.494 1.764 0.000) 3.914 12.463 ( 0.258 8.445 0.000) 8.449 12.656 ( -1.595 4.135 0.000) 4.432 12.735 ( -4.684 -8.702 0.000) 9.882 13.285 ( 2.205 -7.504 0.000) 7.821 13.304 ( 0.319 -8.901 0.000) 8.906 13.369 ( 3.315 -5.494 0.000) 6.417 13.600 ( -4.924 -3.810 0.000) 6.226 13.864 ( 6.152 3.806 0.000) 7.234 14.198 ( -7.460 1.464 0.000) 7.602 14.416 ( 0.804 7.304 0.000) 7.349 14.600 ( -6.514 1.855 0.000) 6.773 15.042 ( 4.816 -4.176 0.000) 6.374 15.269 ( -4.984 -6.757 0.000) 8.396 15.708 ( 8.618 -1.591 0.000) 8.763 16.124 ( -8.061 -5.605 0.000) 9.818 16.417 ( 5.168 1.895 0.000) 5.505 16.635 ( 0.999 3.232 0.000) 3.383 16.666 ( -7.350 -10.522 0.000) 12.835 16.958 ( -11.237 -2.007 0.000) 11.415 17.218 ( 10.468 -13.142 0.000) 16.801 17.422 ( 9.551 -7.708 0.000) 12.274 17.597 ( -5.963 -8.362 0.000) 10.270 17.684 ( -2.744 -8.509 0.000) 8.940 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -14.575 12.303 0.000) 19.074 1.494 ( 14.575 12.303 0.000) 19.074 1.775 ( -18.159 14.769 0.000) 23.406 1.775 ( 18.159 14.769 0.000) 23.406 2.171 ( -0.601 -0.944 0.000) 1.119 2.171 ( 0.601 -0.944 0.000) 1.119 2.516 ( -1.381 -4.995 0.000) 5.182 2.516 ( 1.381 -4.995 0.000) 5.182 2.600 ( -11.328 12.906 0.000) 17.172 2.600 ( 11.328 12.906 0.000) 17.172 2.793 ( -11.626 5.154 0.000) 12.717 2.793 ( 11.626 5.154 0.000) 12.717 2.811 ( -6.606 -7.702 0.000) 10.147 2.811 ( 6.606 -7.702 0.000) 10.147 2.927 ( -6.152 12.673 0.000) 14.087 2.927 ( 6.152 12.673 0.000) 14.087 2.998 ( -0.419 11.582 0.000) 11.590 2.998 ( 0.419 11.582 0.000) 11.590 3.306 ( -6.492 -7.955 0.000) 10.268 3.306 ( 6.492 -7.955 0.000) 10.268 3.550 ( -3.344 -1.502 0.000) 3.665 3.550 ( 3.344 -1.502 0.000) 3.665 3.618 ( -1.049 -2.977 0.000) 3.156 3.618 ( 1.049 -2.977 0.000) 3.156 3.860 ( -9.433 5.727 0.000) 11.036 3.860 ( 9.433 5.727 0.000) 11.036 4.004 ( -0.483 -3.194 0.000) 3.230 4.004 ( 0.483 -3.194 0.000) 3.230 4.208 ( -10.267 -7.203 0.000) 12.542 4.208 ( 10.267 -7.203 0.000) 12.542 4.431 ( -3.965 10.392 0.000) 11.123 4.431 ( 3.965 10.392 0.000) 11.123 4.789 ( -2.492 18.560 0.000) 18.726 4.789 ( 2.492 18.560 0.000) 18.726 4.998 ( -3.076 6.978 0.000) 7.626 4.998 ( 3.076 6.978 0.000) 7.626 5.018 ( -8.302 2.014 0.000) 8.543 5.018 ( 8.302 2.014 0.000) 8.543 5.219 ( -4.819 4.433 0.000) 6.548 5.219 ( 4.819 4.433 0.000) 6.548 5.353 ( -3.013 -0.711 0.000) 3.096 5.353 ( 3.013 -0.711 0.000) 3.096 5.679 ( -6.352 13.968 0.000) 15.344 5.679 ( 6.352 13.968 0.000) 15.344 5.870 ( -7.562 4.715 0.000) 8.912 5.870 ( 7.562 4.715 0.000) 8.912 6.152 ( -5.823 7.618 0.000) 9.588 6.152 ( 5.823 7.618 0.000) 9.588 7.080 ( -0.836 1.943 0.000) 2.115 7.080 ( 0.836 1.943 0.000) 2.115 7.272 ( -3.932 0.016 0.000) 3.932 7.272 ( 3.932 0.016 0.000) 3.932 7.346 ( -2.208 -0.968 0.000) 2.411 7.346 ( 2.208 -0.968 0.000) 2.411 7.664 ( -9.645 33.918 0.000) 35.263 7.664 ( 9.645 33.918 0.000) 35.263 7.723 ( -10.496 6.836 0.000) 12.526 7.723 ( 10.496 6.836 0.000) 12.526 7.946 ( -9.147 2.970 0.000) 9.617 7.946 ( 9.147 2.970 0.000) 9.617 8.313 ( -3.526 3.843 0.000) 5.215 8.313 ( 3.526 3.843 0.000) 5.215 8.907 ( -6.196 1.020 0.000) 6.279 8.907 ( 6.196 1.020 0.000) 6.279 8.960 ( -10.514 8.528 0.000) 13.537 8.960 ( 10.514 8.528 0.000) 13.537 9.340 ( -5.447 1.786 0.000) 5.733 9.340 ( 5.447 1.786 0.000) 5.733 9.733 ( -3.841 18.932 0.000) 19.317 9.733 ( 3.841 18.932 0.000) 19.317 10.190 ( -2.356 15.702 0.000) 15.878 10.190 ( 2.356 15.702 0.000) 15.878 10.380 ( -8.808 17.250 0.000) 19.368 10.380 ( 8.808 17.250 0.000) 19.368 10.850 ( -1.250 -4.079 0.000) 4.267 10.850 ( 1.250 -4.079 0.000) 4.267 10.962 ( -12.123 8.563 0.000) 14.842 10.962 ( 12.123 8.563 0.000) 14.842 11.337 ( -10.986 4.399 0.000) 11.834 11.337 ( 10.986 4.399 0.000) 11.834 11.579 ( -2.643 9.081 0.000) 9.458 11.579 ( 2.643 9.081 0.000) 9.458 11.807 ( -0.923 8.363 0.000) 8.414 11.807 ( 0.923 8.363 0.000) 8.414 12.461 ( -0.730 5.149 0.000) 5.200 12.461 ( 0.730 5.149 0.000) 5.200 12.654 ( -2.164 -2.971 0.000) 3.676 12.654 ( 2.164 -2.971 0.000) 3.676 13.310 ( -0.085 -10.173 0.000) 10.173 13.310 ( 0.085 -10.173 0.000) 10.173 13.475 ( -6.573 -1.933 0.000) 6.851 13.475 ( 6.573 -1.933 0.000) 6.851 14.020 ( -8.862 0.795 0.000) 8.898 14.020 ( 8.862 0.795 0.000) 8.898 14.477 ( -5.004 5.040 0.000) 7.102 14.477 ( 5.004 5.040 0.000) 7.102 15.153 ( -5.896 -4.751 0.000) 7.572 15.153 ( 5.896 -4.751 0.000) 7.572 15.917 ( -11.053 1.700 0.000) 11.182 15.917 ( 11.053 1.700 0.000) 11.182 16.531 ( -5.865 -8.112 0.000) 10.010 16.531 ( 5.865 -8.112 0.000) 10.010 16.743 ( -9.020 0.681 0.000) 9.046 16.743 ( 9.020 0.681 0.000) 9.046 17.434 ( -9.782 -10.516 0.000) 14.362 17.434 ( 9.782 -10.516 0.000) 14.362 17.588 ( -6.556 -8.375 0.000) 10.636 17.588 ( 6.556 -8.375 0.000) 10.636 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 23.002 0.000) 23.002 1.483 ( 0.000 22.877 0.000) 22.877 1.907 ( 0.000 2.124 0.000) 2.124 2.140 ( 0.000 -0.919 0.000) 0.919 2.140 ( 0.000 -0.859 0.000) 0.859 2.364 ( 0.000 4.873 0.000) 4.873 2.392 ( 0.000 -4.363 0.000) 4.363 2.508 ( 0.000 -7.169 0.000) 7.169 2.511 ( 0.000 3.471 0.000) 3.471 2.582 ( 0.000 -4.897 0.000) 4.897 2.727 ( 0.000 -12.726 0.000) 12.726 2.788 ( 0.000 -5.327 0.000) 5.327 2.839 ( 0.000 1.973 0.000) 1.973 2.880 ( 0.000 0.957 0.000) 0.957 3.047 ( 0.000 -4.949 0.000) 4.949 3.257 ( 0.000 5.085 0.000) 5.085 3.267 ( 0.000 -9.337 0.000) 9.337 3.295 ( 0.000 22.791 0.000) 22.791 3.337 ( 0.000 13.891 0.000) 13.891 3.391 ( 0.000 7.485 0.000) 7.485 3.496 ( 0.000 10.607 0.000) 10.607 3.496 ( 0.000 1.708 0.000) 1.708 3.668 ( 0.000 1.081 0.000) 1.081 3.713 ( 0.000 -3.738 0.000) 3.738 3.764 ( 0.000 -7.610 0.000) 7.610 3.802 ( 0.000 -6.659 0.000) 6.659 3.976 ( 0.000 0.202 0.000) 0.202 4.178 ( 0.000 7.280 0.000) 7.280 4.181 ( 0.000 0.399 0.000) 0.399 4.340 ( 0.000 4.919 0.000) 4.919 4.433 ( 0.000 6.096 0.000) 6.096 4.476 ( 0.000 -5.916 0.000) 5.916 4.675 ( 0.000 -2.582 0.000) 2.582 4.797 ( 0.000 5.752 0.000) 5.752 5.065 ( 0.000 12.109 0.000) 12.109 5.068 ( 0.000 3.383 0.000) 3.383 5.109 ( 0.000 4.695 0.000) 4.695 5.178 ( 0.000 0.992 0.000) 0.992 5.358 ( 0.000 5.480 0.000) 5.480 5.384 ( 0.000 -0.370 0.000) 0.370 5.388 ( 0.000 1.390 0.000) 1.390 5.463 ( 0.000 2.614 0.000) 2.614 5.512 ( 0.000 1.219 0.000) 1.219 5.843 ( 0.000 -13.793 0.000) 13.793 6.123 ( 0.000 27.142 0.000) 27.142 6.160 ( 0.000 19.684 0.000) 19.684 6.426 ( 0.000 20.930 0.000) 20.930 6.444 ( 0.000 8.669 0.000) 8.669 7.106 ( 0.000 0.064 0.000) 0.064 7.193 ( 0.000 -1.925 0.000) 1.925 7.199 ( 0.000 4.802 0.000) 4.802 7.312 ( 0.000 -5.535 0.000) 5.535 7.380 ( 0.000 -5.695 0.000) 5.695 7.465 ( 0.000 1.960 0.000) 1.960 7.632 ( 0.000 14.391 0.000) 14.391 7.649 ( 0.000 -8.208 0.000) 8.208 7.740 ( 0.000 -4.309 0.000) 4.309 7.979 ( 0.000 22.008 0.000) 22.008 8.383 ( 0.000 8.798 0.000) 8.798 8.527 ( 0.000 5.503 0.000) 5.503 8.593 ( 0.000 5.270 0.000) 5.270 8.605 ( 0.000 2.490 0.000) 2.490 8.633 ( 0.000 4.393 0.000) 4.393 8.742 ( 0.000 17.604 0.000) 17.604 9.025 ( 0.000 -9.877 0.000) 9.877 9.078 ( 0.000 15.428 0.000) 15.428 9.282 ( 0.000 1.700 0.000) 1.700 9.774 ( 0.000 12.637 0.000) 12.637 9.848 ( 0.000 -4.358 0.000) 4.358 9.929 ( 0.000 2.464 0.000) 2.464 9.990 ( 0.000 18.319 0.000) 18.319 10.302 ( 0.000 -6.142 0.000) 6.142 10.377 ( 0.000 4.294 0.000) 4.294 10.533 ( 0.000 19.412 0.000) 19.412 10.879 ( 0.000 11.749 0.000) 11.749 10.972 ( 0.000 22.730 0.000) 22.730 11.120 ( 0.000 21.699 0.000) 21.699 11.396 ( 0.000 9.819 0.000) 9.819 11.459 ( 0.000 17.788 0.000) 17.788 11.839 ( 0.000 9.687 0.000) 9.687 11.901 ( 0.000 12.721 0.000) 12.721 11.926 ( 0.000 19.265 0.000) 19.265 11.983 ( 0.000 5.649 0.000) 5.649 12.220 ( 0.000 13.877 0.000) 13.877 12.350 ( 0.000 0.112 0.000) 0.112 12.521 ( 0.000 -16.909 0.000) 16.909 12.538 ( 0.000 -4.942 0.000) 4.942 12.795 ( 0.000 7.199 0.000) 7.199 13.077 ( 0.000 -15.893 0.000) 15.893 13.089 ( 0.000 -13.151 0.000) 13.151 13.202 ( 0.000 -3.216 0.000) 3.216 13.465 ( 0.000 -11.504 0.000) 11.504 14.114 ( 0.000 23.126 0.000) 23.126 14.331 ( 0.000 2.081 0.000) 2.081 14.552 ( 0.000 7.451 0.000) 7.451 14.795 ( 0.000 -13.184 0.000) 13.184 14.869 ( 0.000 16.340 0.000) 16.340 15.151 ( 0.000 -9.319 0.000) 9.319 15.557 ( 0.000 -0.340 0.000) 0.340 15.816 ( 0.000 -23.337 0.000) 23.337 16.552 ( 0.000 12.300 0.000) 12.300 16.552 ( 0.000 -13.440 0.000) 13.440 16.735 ( 0.000 -17.641 0.000) 17.641 16.819 ( 0.000 9.690 0.000) 9.690 17.071 ( 0.000 -5.083 0.000) 5.083 17.123 ( 0.000 -4.338 0.000) 4.338 17.485 ( 0.000 -13.054 0.000) 13.054 17.508 ( 0.000 -9.320 0.000) 9.320 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 19.476 17.477 0.000) 26.168 1.569 ( 7.666 19.694 0.000) 21.133 1.881 ( -3.047 4.763 0.000) 5.654 2.126 ( -1.349 -0.896 0.000) 1.619 2.139 ( -0.029 -1.085 0.000) 1.085 2.320 ( -6.228 7.781 0.000) 9.967 2.398 ( 1.091 -4.619 0.000) 4.746 2.468 ( -2.469 -0.314 0.000) 2.489 2.542 ( 3.202 -6.636 0.000) 7.368 2.598 ( 1.510 -2.884 0.000) 3.256 2.731 ( -5.335 -0.381 0.000) 5.349 2.758 ( 1.642 -5.426 0.000) 5.668 2.763 ( -3.365 -7.443 0.000) 8.168 2.935 ( -8.301 -6.551 0.000) 10.574 2.958 ( 4.797 -5.553 0.000) 7.338 3.168 ( -4.435 -0.102 0.000) 4.437 3.241 ( -3.986 4.025 0.000) 5.664 3.267 ( -3.869 9.573 0.000) 10.325 3.374 ( 2.691 21.418 0.000) 21.586 3.417 ( 5.017 4.304 0.000) 6.610 3.530 ( 1.582 2.702 0.000) 3.132 3.556 ( 2.787 5.822 0.000) 6.454 3.636 ( -2.007 -1.051 0.000) 2.266 3.741 ( 5.396 0.344 0.000) 5.407 3.813 ( -14.178 19.508 0.000) 24.115 3.859 ( 7.696 -7.977 0.000) 11.085 3.868 ( 0.872 -5.764 0.000) 5.830 3.970 ( -0.715 0.050 0.000) 0.717 4.144 ( -8.379 -0.219 0.000) 8.382 4.276 ( -11.385 -6.192 0.000) 12.960 4.489 ( 5.104 5.318 0.000) 7.371 4.651 ( 17.567 3.091 0.000) 17.837 4.748 ( -4.795 6.886 0.000) 8.391 4.886 ( 12.826 -1.875 0.000) 12.962 5.062 ( 0.379 7.422 0.000) 7.432 5.070 ( 0.282 3.632 0.000) 3.642 5.121 ( 0.132 5.564 0.000) 5.565 5.221 ( 3.618 1.172 0.000) 3.804 5.232 ( -9.725 2.255 0.000) 9.983 5.348 ( -1.117 2.843 0.000) 3.055 5.398 ( -1.123 4.747 0.000) 4.878 5.426 ( -3.657 1.149 0.000) 3.833 5.615 ( 7.222 -3.337 0.000) 7.956 5.829 ( -1.791 -12.863 0.000) 12.988 6.113 ( -0.730 25.425 0.000) 25.436 6.133 ( -1.985 19.915 0.000) 20.013 6.412 ( -0.790 19.532 0.000) 19.548 6.440 ( -0.684 10.473 0.000) 10.495 7.114 ( 0.838 1.965 0.000) 2.136 7.180 ( -1.731 4.244 0.000) 4.584 7.209 ( 1.308 -3.197 0.000) 3.454 7.262 ( -3.497 -2.775 0.000) 4.465 7.311 ( -4.172 -4.087 0.000) 5.840 7.396 ( -5.255 -0.862 0.000) 5.326 7.658 ( 0.782 -7.935 0.000) 7.974 7.672 ( 1.747 3.469 0.000) 3.884 7.796 ( 7.263 4.976 0.000) 8.804 8.106 ( 10.405 17.994 0.000) 20.786 8.367 ( -14.055 7.455 0.000) 15.910 8.447 ( -1.681 4.818 0.000) 5.103 8.496 ( -3.592 13.038 0.000) 13.523 8.597 ( -7.105 17.698 0.000) 19.071 8.740 ( 7.774 -0.381 0.000) 7.783 8.770 ( 15.324 12.551 0.000) 19.808 9.059 ( -3.550 -3.125 0.000) 4.729 9.142 ( 4.725 11.862 0.000) 12.769 9.242 ( 3.445 -0.003 0.000) 3.445 9.743 ( -17.393 8.142 0.000) 19.204 9.891 ( 3.291 -1.526 0.000) 3.627 9.944 ( -1.388 8.305 0.000) 8.421 10.170 ( 28.299 5.202 0.000) 28.774 10.431 ( 13.688 -2.686 0.000) 13.949 10.506 ( 8.908 7.538 0.000) 11.669 10.592 ( 5.469 20.405 0.000) 21.125 10.852 ( -8.746 21.094 0.000) 22.835 10.894 ( 2.425 9.680 0.000) 9.979 11.115 ( -4.786 19.824 0.000) 20.393 11.407 ( 1.064 9.548 0.000) 9.608 11.467 ( -0.959 18.725 0.000) 18.750 11.644 ( -19.990 4.693 0.000) 20.533 11.824 ( -3.920 7.943 0.000) 8.857 11.872 ( -5.198 17.586 0.000) 18.338 11.973 ( -0.060 6.544 0.000) 6.544 12.049 ( -7.757 9.236 0.000) 12.061 12.486 ( 6.427 4.738 0.000) 7.985 12.534 ( 1.413 -10.696 0.000) 10.789 12.549 ( 0.798 -4.015 0.000) 4.094 12.742 ( -5.056 7.393 0.000) 8.957 13.059 ( -0.350 -15.012 0.000) 15.016 13.078 ( -0.791 -14.010 0.000) 14.033 13.282 ( 5.528 -5.210 0.000) 7.596 13.449 ( -1.811 -11.181 0.000) 11.327 14.096 ( -1.000 19.493 0.000) 19.519 14.233 ( -7.476 3.088 0.000) 8.089 14.579 ( 2.313 8.990 0.000) 9.282 14.706 ( -4.215 4.650 0.000) 6.276 14.963 ( 4.796 0.346 0.000) 4.809 15.120 ( -2.790 -8.004 0.000) 8.476 15.674 ( 9.060 -2.701 0.000) 9.454 15.827 ( 0.743 -21.477 0.000) 21.490 16.447 ( -4.308 -9.926 0.000) 10.820 16.550 ( -1.705 10.458 0.000) 10.596 16.774 ( -2.282 9.619 0.000) 9.886 16.921 ( 6.092 -12.258 0.000) 13.688 16.945 ( -0.189 -3.591 0.000) 3.596 17.260 ( 7.438 -8.596 0.000) 11.367 17.394 ( -7.542 -12.326 0.000) 14.450 17.489 ( -2.887 -11.107 0.000) 11.476 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -7.951 12.568 0.000) 14.872 1.745 ( 7.951 12.568 0.000) 14.872 1.999 ( -16.526 8.602 0.000) 18.631 1.999 ( 16.526 8.602 0.000) 18.631 2.156 ( -3.188 0.582 0.000) 3.241 2.156 ( 3.188 0.582 0.000) 3.241 2.436 ( -1.790 -2.718 0.000) 3.254 2.436 ( 1.790 -2.718 0.000) 3.254 2.619 ( -2.074 -3.819 0.000) 4.346 2.619 ( 2.074 -3.819 0.000) 4.346 2.662 ( -1.508 -5.152 0.000) 5.368 2.662 ( 1.508 -5.152 0.000) 5.368 2.811 ( -3.750 -4.914 0.000) 6.182 2.811 ( 3.750 -4.914 0.000) 6.182 3.068 ( -5.642 -9.065 0.000) 10.677 3.068 ( 5.642 -9.065 0.000) 10.677 3.199 ( -1.251 10.664 0.000) 10.737 3.199 ( 1.251 10.664 0.000) 10.737 3.491 ( -1.139 -0.909 0.000) 1.457 3.491 ( 1.139 -0.909 0.000) 1.457 3.535 ( -6.766 23.017 0.000) 23.991 3.535 ( 6.766 23.017 0.000) 23.991 3.601 ( -1.893 3.475 0.000) 3.957 3.601 ( 1.893 3.475 0.000) 3.957 3.923 ( -6.155 3.430 0.000) 7.046 3.923 ( 6.155 3.430 0.000) 7.046 3.940 ( -2.556 -2.613 0.000) 3.655 3.940 ( 2.556 -2.613 0.000) 3.655 4.052 ( -10.370 -6.863 0.000) 12.435 4.052 ( 10.370 -6.863 0.000) 12.435 4.620 ( -7.093 6.673 0.000) 9.739 4.620 ( 7.093 6.673 0.000) 9.739 4.981 ( -14.443 0.605 0.000) 14.456 4.981 ( 14.443 0.605 0.000) 14.456 5.073 ( -0.079 5.201 0.000) 5.201 5.073 ( 0.079 5.201 0.000) 5.201 5.081 ( -5.115 2.653 0.000) 5.762 5.081 ( 5.115 2.653 0.000) 5.762 5.319 ( -5.931 0.767 0.000) 5.980 5.319 ( 5.931 0.767 0.000) 5.980 5.361 ( -1.933 3.982 0.000) 4.427 5.361 ( 1.933 3.982 0.000) 4.427 5.753 ( -5.686 -8.588 0.000) 10.299 5.753 ( 5.686 -8.588 0.000) 10.299 6.107 ( -0.376 21.657 0.000) 21.660 6.107 ( 0.376 21.657 0.000) 21.660 6.416 ( -1.184 15.333 0.000) 15.378 6.416 ( 1.184 15.333 0.000) 15.378 7.141 ( -1.754 3.910 0.000) 4.286 7.141 ( 1.754 3.910 0.000) 4.286 7.219 ( -0.317 -3.289 0.000) 3.304 7.219 ( 0.317 -3.289 0.000) 3.304 7.302 ( -3.255 -2.702 0.000) 4.231 7.302 ( 3.255 -2.702 0.000) 4.231 7.675 ( -0.725 -6.202 0.000) 6.244 7.675 ( 0.725 -6.202 0.000) 6.244 8.042 ( -15.558 10.467 0.000) 18.752 8.042 ( 15.558 10.467 0.000) 18.752 8.330 ( -10.010 6.952 0.000) 12.187 8.330 ( 10.010 6.952 0.000) 12.187 8.471 ( -1.921 23.233 0.000) 23.312 8.471 ( 1.921 23.233 0.000) 23.312 8.910 ( -8.388 -1.005 0.000) 8.448 8.910 ( 8.388 -1.005 0.000) 8.448 9.147 ( -10.476 11.161 0.000) 15.307 9.147 ( 10.476 11.161 0.000) 15.307 9.375 ( -12.634 2.851 0.000) 12.952 9.375 ( 12.634 2.851 0.000) 12.952 9.922 ( -0.810 3.671 0.000) 3.759 9.922 ( 0.810 3.671 0.000) 3.759 10.625 ( -6.631 -4.016 0.000) 7.752 10.625 ( 6.631 -4.016 0.000) 7.752 10.667 ( -3.431 28.039 0.000) 28.248 10.667 ( 3.431 28.039 0.000) 28.248 10.818 ( -22.564 11.525 0.000) 25.337 10.818 ( 22.564 11.525 0.000) 25.337 11.141 ( -22.917 7.772 0.000) 24.199 11.141 ( 22.917 7.772 0.000) 24.199 11.447 ( -3.194 6.545 0.000) 7.283 11.447 ( 3.194 6.545 0.000) 7.283 11.776 ( -2.225 12.342 0.000) 12.541 11.776 ( 2.225 12.342 0.000) 12.541 11.981 ( -0.838 9.118 0.000) 9.156 11.981 ( 0.838 9.118 0.000) 9.156 12.557 ( -0.340 -3.955 0.000) 3.969 12.557 ( 0.340 -3.955 0.000) 3.969 12.613 ( -6.683 5.891 0.000) 8.909 12.613 ( 6.683 5.891 0.000) 8.909 13.064 ( -0.543 -14.958 0.000) 14.968 13.064 ( 0.543 -14.958 0.000) 14.968 13.385 ( -4.342 -8.503 0.000) 9.547 13.385 ( 4.342 -8.503 0.000) 9.547 14.113 ( -3.326 10.803 0.000) 11.304 14.113 ( 3.326 10.803 0.000) 11.304 14.635 ( -3.066 9.345 0.000) 9.835 14.635 ( 3.066 9.345 0.000) 9.835 15.050 ( -3.884 -4.779 0.000) 6.158 15.050 ( 3.884 -4.779 0.000) 6.158 15.814 ( -3.245 -13.493 0.000) 13.877 15.814 ( 3.245 -13.493 0.000) 13.877 16.456 ( -4.917 2.864 0.000) 5.690 16.456 ( 4.917 2.864 0.000) 5.690 16.807 ( -4.940 5.694 0.000) 7.539 16.807 ( 4.940 5.694 0.000) 7.539 17.193 ( -11.906 -13.929 0.000) 18.324 17.193 ( 11.906 -13.929 0.000) 18.324 17.397 ( -5.840 -10.910 0.000) 12.375 17.397 ( 5.840 -10.910 0.000) 12.375 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 17.818 0.000) 17.818 1.884 ( 0.000 17.040 0.000) 17.040 1.926 ( 0.000 -1.176 0.000) 1.176 2.097 ( 0.000 -4.777 0.000) 4.777 2.139 ( 0.000 2.479 0.000) 2.479 2.327 ( 0.000 -13.470 0.000) 13.470 2.361 ( 0.000 1.293 0.000) 1.293 2.409 ( 0.000 0.917 0.000) 0.917 2.449 ( 0.000 -9.155 0.000) 9.155 2.485 ( 0.000 -5.914 0.000) 5.914 2.568 ( 0.000 3.642 0.000) 3.642 2.669 ( 0.000 -5.746 0.000) 5.746 2.876 ( 0.000 1.437 0.000) 1.437 2.889 ( 0.000 -0.026 0.000) 0.026 2.958 ( 0.000 1.302 0.000) 1.302 3.078 ( 0.000 -9.035 0.000) 9.035 3.450 ( 0.000 9.387 0.000) 9.387 3.460 ( 0.000 3.510 0.000) 3.510 3.495 ( 0.000 1.351 0.000) 1.351 3.536 ( 0.000 3.256 0.000) 3.256 3.538 ( 0.000 3.932 0.000) 3.932 3.597 ( 0.000 -3.111 0.000) 3.111 3.655 ( 0.000 -1.845 0.000) 1.845 3.683 ( 0.000 -0.099 0.000) 0.099 3.685 ( 0.000 -3.624 0.000) 3.624 3.698 ( 0.000 -2.765 0.000) 2.765 4.182 ( 0.000 0.984 0.000) 0.984 4.233 ( 0.000 -2.750 0.000) 2.750 4.294 ( 0.000 27.532 0.000) 27.532 4.452 ( 0.000 4.631 0.000) 4.631 4.453 ( 0.000 5.064 0.000) 5.064 4.501 ( 0.000 0.938 0.000) 0.938 4.591 ( 0.000 -6.067 0.000) 6.067 4.721 ( 0.000 -13.446 0.000) 13.446 5.117 ( 0.000 2.125 0.000) 2.125 5.157 ( 0.000 -1.935 0.000) 1.935 5.233 ( 0.000 6.582 0.000) 6.582 5.248 ( 0.000 7.872 0.000) 7.872 5.354 ( 0.000 -3.419 0.000) 3.419 5.409 ( 0.000 -2.824 0.000) 2.824 5.413 ( 0.000 3.262 0.000) 3.262 5.489 ( 0.000 -3.519 0.000) 3.519 5.517 ( 0.000 1.880 0.000) 1.880 5.581 ( 0.000 -8.825 0.000) 8.825 6.525 ( 0.000 15.030 0.000) 15.030 6.540 ( 0.000 13.503 0.000) 13.503 6.605 ( 0.000 5.393 0.000) 5.393 6.672 ( 0.000 1.745 0.000) 1.745 7.184 ( 0.000 1.518 0.000) 1.518 7.202 ( 0.000 9.961 0.000) 9.961 7.214 ( 0.000 -3.284 0.000) 3.284 7.217 ( 0.000 -2.087 0.000) 2.087 7.264 ( 0.000 -5.009 0.000) 5.009 7.449 ( 0.000 -12.055 0.000) 12.055 7.511 ( 0.000 4.518 0.000) 4.518 7.624 ( 0.000 -6.386 0.000) 6.386 7.928 ( 0.000 13.073 0.000) 13.073 8.106 ( 0.000 -4.198 0.000) 4.198 8.506 ( 0.000 4.916 0.000) 4.916 8.571 ( 0.000 -1.049 0.000) 1.049 8.653 ( 0.000 1.395 0.000) 1.395 8.658 ( 0.000 1.168 0.000) 1.168 8.718 ( 0.000 5.132 0.000) 5.132 8.845 ( 0.000 -8.009 0.000) 8.009 9.066 ( 0.000 13.533 0.000) 13.533 9.254 ( 0.000 -5.391 0.000) 5.391 9.475 ( 0.000 21.176 0.000) 21.176 9.811 ( 0.000 -12.512 0.000) 12.512 9.834 ( 0.000 3.247 0.000) 3.247 9.918 ( 0.000 -1.636 0.000) 1.636 10.313 ( 0.000 9.887 0.000) 9.887 10.324 ( 0.000 13.627 0.000) 13.627 10.455 ( 0.000 0.430 0.000) 0.430 10.541 ( 0.000 -9.721 0.000) 9.721 11.316 ( 0.000 11.599 0.000) 11.599 11.335 ( 0.000 22.832 0.000) 22.832 11.420 ( 0.000 3.972 0.000) 3.972 11.537 ( 0.000 1.807 0.000) 1.807 11.665 ( 0.000 12.822 0.000) 12.822 11.964 ( 0.000 -7.520 0.000) 7.520 12.081 ( 0.000 6.371 0.000) 6.371 12.169 ( 0.000 7.714 0.000) 7.714 12.232 ( 0.000 -4.111 0.000) 4.111 12.305 ( 0.000 -15.408 0.000) 15.408 12.346 ( 0.000 21.902 0.000) 21.902 12.411 ( 0.000 8.218 0.000) 8.218 12.603 ( 0.000 24.040 0.000) 24.040 12.730 ( 0.000 -16.882 0.000) 16.882 12.746 ( 0.000 -17.757 0.000) 17.757 13.008 ( 0.000 9.636 0.000) 9.636 13.049 ( 0.000 -14.824 0.000) 14.824 13.227 ( 0.000 -12.172 0.000) 12.172 14.379 ( 0.000 3.870 0.000) 3.870 14.527 ( 0.000 -11.850 0.000) 11.850 14.607 ( 0.000 22.405 0.000) 22.405 14.696 ( 0.000 6.432 0.000) 6.432 15.004 ( 0.000 -2.222 0.000) 2.222 15.262 ( 0.000 20.629 0.000) 20.629 15.316 ( 0.000 -26.501 0.000) 26.501 15.537 ( 0.000 -5.372 0.000) 5.372 16.328 ( 0.000 -5.783 0.000) 5.783 16.417 ( 0.000 -13.065 0.000) 13.065 16.824 ( 0.000 14.695 0.000) 14.695 16.993 ( 0.000 4.520 0.000) 4.520 17.018 ( 0.000 -0.430 0.000) 0.430 17.047 ( 0.000 -3.099 0.000) 3.099 17.233 ( 0.000 -9.039 0.000) 9.039 17.311 ( 0.000 -10.224 0.000) 10.224 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 10.602 11.874 0.000) 15.919 1.910 ( 2.206 14.059 0.000) 14.231 1.949 ( 1.582 1.824 0.000) 2.414 2.084 ( -1.117 -4.231 0.000) 4.376 2.139 ( 1.004 3.345 0.000) 3.492 2.302 ( 1.370 -8.025 0.000) 8.141 2.427 ( 0.972 3.442 0.000) 3.577 2.446 ( 5.328 -0.763 0.000) 5.382 2.486 ( -6.785 4.534 0.000) 8.160 2.536 ( 3.981 -6.130 0.000) 7.310 2.540 ( 7.326 -9.992 0.000) 12.390 2.612 ( -5.427 -7.387 0.000) 9.166 2.780 ( -6.674 3.952 0.000) 7.756 2.855 ( -8.385 2.384 0.000) 8.718 2.871 ( -2.801 -4.683 0.000) 5.457 2.994 ( -6.874 -9.704 0.000) 11.892 3.407 ( -2.004 5.412 0.000) 5.771 3.460 ( 0.019 8.742 0.000) 8.742 3.469 ( -0.715 -1.348 0.000) 1.526 3.534 ( -4.296 8.703 0.000) 9.706 3.558 ( 1.073 3.103 0.000) 3.283 3.576 ( -0.873 -4.121 0.000) 4.213 3.663 ( 0.727 -5.247 0.000) 5.297 3.728 ( -1.133 -8.840 0.000) 8.913 3.734 ( 9.465 1.006 0.000) 9.518 3.783 ( 7.661 -2.249 0.000) 7.984 4.111 ( -7.855 2.866 0.000) 8.362 4.136 ( -5.572 -1.026 0.000) 5.666 4.288 ( -4.874 13.475 0.000) 14.330 4.290 ( -0.493 27.288 0.000) 27.293 4.505 ( 4.083 -5.039 0.000) 6.486 4.703 ( -2.174 -12.313 0.000) 12.503 4.713 ( 14.043 3.900 0.000) 14.574 4.810 ( 14.158 -5.474 0.000) 15.179 5.132 ( 1.414 3.141 0.000) 3.444 5.187 ( -4.385 7.327 0.000) 8.539 5.192 ( 2.900 -2.794 0.000) 4.027 5.219 ( -4.491 4.071 0.000) 6.061 5.256 ( -6.141 -0.382 0.000) 6.153 5.368 ( -4.937 -6.899 0.000) 8.483 5.422 ( 1.174 4.515 0.000) 4.665 5.497 ( -1.471 3.719 0.000) 3.999 5.523 ( 2.689 -5.445 0.000) 6.073 5.591 ( 0.244 -8.218 0.000) 8.221 6.497 ( -1.832 14.816 0.000) 14.929 6.517 ( -1.923 13.985 0.000) 14.117 6.610 ( 0.214 4.289 0.000) 4.295 6.641 ( -2.199 1.698 0.000) 2.778 7.171 ( -0.855 0.831 0.000) 1.192 7.172 ( -2.296 -1.004 0.000) 2.506 7.217 ( -0.845 -3.810 0.000) 3.902 7.221 ( -2.571 -1.589 0.000) 3.022 7.240 ( 3.016 7.327 0.000) 7.924 7.440 ( -5.652 5.968 0.000) 8.220 7.465 ( 1.594 -11.527 0.000) 11.637 7.579 ( -3.391 -7.341 0.000) 8.086 8.022 ( 8.293 11.613 0.000) 14.271 8.183 ( 6.691 -4.232 0.000) 7.917 8.474 ( -8.868 3.201 0.000) 9.428 8.494 ( -5.427 0.883 0.000) 5.498 8.694 ( 3.993 4.432 0.000) 5.965 8.731 ( 5.982 -0.675 0.000) 6.020 8.788 ( 4.662 7.316 0.000) 8.675 8.932 ( 3.299 -6.832 0.000) 7.587 9.095 ( 7.745 11.655 0.000) 13.994 9.226 ( 2.902 -2.755 0.000) 4.001 9.456 ( -2.190 17.300 0.000) 17.438 9.724 ( -9.060 -9.011 0.000) 12.778 9.936 ( 6.809 6.704 0.000) 9.555 10.115 ( 14.518 -9.505 0.000) 17.352 10.204 ( -8.226 16.885 0.000) 18.782 10.482 ( -0.682 -9.262 0.000) 9.287 10.495 ( 19.062 9.819 0.000) 21.443 10.674 ( 13.924 -6.380 0.000) 15.316 11.242 ( -5.151 16.780 0.000) 17.553 11.324 ( -0.841 22.855 0.000) 22.870 11.450 ( 0.706 0.783 0.000) 1.054 11.536 ( -0.087 1.046 0.000) 1.050 11.555 ( -14.045 11.053 0.000) 17.872 11.809 ( -19.137 -4.712 0.000) 19.708 12.002 ( -5.191 12.753 0.000) 13.769 12.067 ( -1.672 6.074 0.000) 6.300 12.182 ( -5.181 -3.025 0.000) 6.000 12.204 ( -5.440 2.591 0.000) 6.025 12.394 ( 2.745 8.108 0.000) 8.560 12.414 ( 2.832 4.431 0.000) 5.259 12.702 ( 4.277 0.135 0.000) 4.279 12.731 ( 1.902 -1.491 0.000) 2.416 12.740 ( -0.471 -17.908 0.000) 17.914 12.956 ( -4.763 11.004 0.000) 11.991 13.083 ( 2.461 -16.034 0.000) 16.221 13.201 ( -2.454 -13.308 0.000) 13.532 14.365 ( 0.454 10.399 0.000) 10.408 14.523 ( -5.634 20.024 0.000) 20.801 14.595 ( 4.790 -11.608 0.000) 12.557 14.725 ( 0.180 1.874 0.000) 1.882 15.022 ( 2.249 3.396 0.000) 4.073 15.199 ( -4.842 18.252 0.000) 18.884 15.359 ( 3.804 -24.636 0.000) 24.928 15.530 ( -2.009 -13.286 0.000) 13.437 16.384 ( 8.455 5.132 0.000) 9.891 16.607 ( 14.016 -15.465 0.000) 20.871 16.796 ( -3.933 14.018 0.000) 14.559 16.967 ( -1.906 6.620 0.000) 6.889 16.983 ( -1.755 4.157 0.000) 4.512 17.099 ( 3.384 -7.452 0.000) 8.184 17.143 ( -8.392 -9.721 0.000) 12.842 17.260 ( -4.264 -11.899 0.000) 12.640 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -1.173 7.796 0.000) 7.884 1.950 ( 1.173 7.796 0.000) 7.884 2.049 ( -3.242 -2.404 0.000) 4.036 2.049 ( 3.242 -2.404 0.000) 4.036 2.264 ( -11.547 8.721 0.000) 14.471 2.264 ( 11.547 8.721 0.000) 14.471 2.401 ( -6.837 -3.343 0.000) 7.611 2.401 ( 6.837 -3.343 0.000) 7.611 2.527 ( -1.153 -0.427 0.000) 1.229 2.527 ( 1.153 -0.427 0.000) 1.229 2.628 ( -2.863 -5.712 0.000) 6.390 2.628 ( 2.863 -5.712 0.000) 6.390 2.709 ( -3.995 1.858 0.000) 4.406 2.709 ( 3.995 1.858 0.000) 4.406 2.856 ( -4.204 -10.445 0.000) 11.259 2.856 ( 4.204 -10.445 0.000) 11.259 3.414 ( -2.606 8.868 0.000) 9.243 3.414 ( 2.606 8.868 0.000) 9.243 3.478 ( -1.154 0.030 0.000) 1.154 3.478 ( 1.154 0.030 0.000) 1.154 3.574 ( -0.532 0.951 0.000) 1.090 3.574 ( 0.532 0.951 0.000) 1.090 3.685 ( -1.778 -7.492 0.000) 7.701 3.685 ( 1.778 -7.492 0.000) 7.701 3.935 ( -9.581 1.011 0.000) 9.635 3.935 ( 9.581 1.011 0.000) 9.635 3.966 ( -9.594 -2.436 0.000) 9.898 3.966 ( 9.594 -2.436 0.000) 9.898 4.270 ( -1.228 24.988 0.000) 25.018 4.270 ( 1.228 24.988 0.000) 25.018 4.620 ( -5.790 -8.789 0.000) 10.525 4.620 ( 5.790 -8.789 0.000) 10.525 4.994 ( -12.869 3.070 0.000) 13.230 4.994 ( 12.869 3.070 0.000) 13.230 5.075 ( -10.389 -3.043 0.000) 10.826 5.075 ( 10.389 -3.043 0.000) 10.826 5.172 ( -2.801 4.261 0.000) 5.099 5.172 ( 2.801 4.261 0.000) 5.099 5.262 ( -4.173 -4.865 0.000) 6.410 5.262 ( 4.173 -4.865 0.000) 6.410 5.459 ( -2.113 5.066 0.000) 5.489 5.459 ( 2.113 5.066 0.000) 5.489 5.574 ( -1.913 -7.578 0.000) 7.816 5.574 ( 1.913 -7.578 0.000) 7.816 6.483 ( -0.782 14.543 0.000) 14.564 6.483 ( 0.782 14.543 0.000) 14.564 6.613 ( -0.449 2.398 0.000) 2.439 6.613 ( 0.449 2.398 0.000) 2.439 7.150 ( -0.432 0.074 0.000) 0.438 7.150 ( 0.432 0.074 0.000) 0.438 7.200 ( -0.385 -3.246 0.000) 3.269 7.200 ( 0.385 -3.246 0.000) 3.269 7.325 ( -5.126 7.939 0.000) 9.450 7.325 ( 5.126 7.939 0.000) 9.450 7.512 ( -2.926 -9.757 0.000) 10.187 7.512 ( 2.926 -9.757 0.000) 10.187 8.238 ( -12.236 8.348 0.000) 14.813 8.238 ( 12.236 8.348 0.000) 14.813 8.344 ( -8.393 -2.434 0.000) 8.739 8.344 ( 8.393 -2.434 0.000) 8.739 8.780 ( -3.569 7.395 0.000) 8.211 8.780 ( 3.569 7.395 0.000) 8.211 8.868 ( -6.550 -3.069 0.000) 7.233 8.868 ( 6.550 -3.069 0.000) 7.233 9.359 ( -8.519 8.300 0.000) 11.894 9.359 ( 8.519 8.300 0.000) 11.894 9.438 ( -17.234 0.904 0.000) 17.258 9.438 ( 17.234 0.904 0.000) 17.258 10.057 ( -5.937 12.967 0.000) 14.262 10.057 ( 5.937 12.967 0.000) 14.262 10.376 ( -9.690 -16.714 0.000) 19.320 10.376 ( 9.690 -16.714 0.000) 19.320 11.011 ( -24.901 9.385 0.000) 26.611 11.011 ( 24.901 9.385 0.000) 26.611 11.097 ( -24.717 2.715 0.000) 24.865 11.097 ( 24.717 2.715 0.000) 24.865 11.345 ( -6.022 17.599 0.000) 18.601 11.345 ( 6.022 17.599 0.000) 18.601 11.541 ( -1.726 0.038 0.000) 1.726 11.541 ( 1.726 0.038 0.000) 1.726 12.006 ( -3.365 9.200 0.000) 9.796 12.006 ( 3.365 9.200 0.000) 9.796 12.139 ( -0.627 1.110 0.000) 1.275 12.139 ( 0.627 1.110 0.000) 1.275 12.439 ( -0.633 3.294 0.000) 3.354 12.439 ( 0.633 3.294 0.000) 3.354 12.729 ( -0.615 -18.389 0.000) 18.399 12.729 ( 0.615 -18.389 0.000) 18.399 12.837 ( -6.203 14.101 0.000) 15.405 12.837 ( 6.203 14.101 0.000) 15.405 13.140 ( -3.163 -15.421 0.000) 15.742 13.140 ( 3.163 -15.421 0.000) 15.742 14.417 ( -4.297 17.393 0.000) 17.916 14.417 ( 4.297 17.393 0.000) 17.916 14.685 ( -3.622 -7.576 0.000) 8.398 14.685 ( 3.622 -7.576 0.000) 8.398 15.097 ( -4.747 12.641 0.000) 13.503 15.097 ( 4.747 12.641 0.000) 13.503 15.452 ( -4.871 -20.861 0.000) 21.422 15.452 ( 4.871 -20.861 0.000) 21.422 16.622 ( -12.293 12.522 0.000) 17.548 16.622 ( 12.293 12.522 0.000) 17.548 16.902 ( -12.944 -15.250 0.000) 20.002 16.902 ( 12.944 -15.250 0.000) 20.002 16.960 ( -0.454 9.672 0.000) 9.683 16.960 ( 0.454 9.672 0.000) 9.683 17.173 ( -3.921 -11.625 0.000) 12.268 17.173 ( 3.921 -11.625 0.000) 12.268 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 0.000 25.604) 25.604 0.656 ( 0.000 0.000 31.492) 31.492 1.038 ( 0.000 0.000 49.980) 49.980 1.708 ( 0.000 0.000 6.831) 6.831 1.852 ( 0.000 0.000 4.132) 4.132 1.887 ( 0.000 0.000 8.626) 8.626 2.179 ( 0.000 0.000 1.749) 1.749 2.287 ( 0.000 0.000 2.565) 2.565 2.462 ( 0.000 0.000 -7.702) 7.702 2.655 ( 0.000 0.000 -2.725) 2.725 2.661 ( 0.000 0.000 -7.839) 7.839 2.898 ( 0.000 0.000 -4.065) 4.065 2.905 ( 0.000 0.000 1.713) 1.713 2.932 ( 0.000 0.000 -1.703) 1.703 2.955 ( 0.000 0.000 -2.274) 2.274 3.041 ( 0.000 0.000 -5.857) 5.857 3.150 ( 0.000 0.000 -6.892) 6.892 3.168 ( 0.000 0.000 -2.083) 2.083 3.311 ( 0.000 0.000 -1.769) 1.769 3.384 ( 0.000 0.000 -5.759) 5.759 3.426 ( 0.000 0.000 -2.414) 2.414 3.471 ( 0.000 0.000 3.160) 3.160 3.668 ( 0.000 0.000 3.891) 3.891 3.689 ( 0.000 0.000 1.652) 1.652 3.692 ( 0.000 0.000 8.110) 8.110 4.016 ( 0.000 0.000 -0.664) 0.664 4.016 ( 0.000 0.000 -1.290) 1.290 4.075 ( 0.000 0.000 -0.899) 0.899 4.122 ( 0.000 0.000 11.641) 11.641 4.152 ( 0.000 0.000 -0.399) 0.399 4.154 ( 0.000 0.000 0.653) 0.653 4.329 ( 0.000 0.000 7.410) 7.410 4.377 ( 0.000 0.000 -3.627) 3.627 4.581 ( 0.000 0.000 -3.323) 3.323 4.639 ( 0.000 0.000 -3.544) 3.544 4.689 ( 0.000 0.000 2.656) 2.656 4.760 ( 0.000 0.000 -1.352) 1.352 4.762 ( 0.000 0.000 1.696) 1.696 5.084 ( 0.000 0.000 -4.768) 4.768 5.119 ( 0.000 0.000 -3.973) 3.973 5.296 ( 0.000 0.000 4.496) 4.496 5.365 ( 0.000 0.000 -1.497) 1.497 5.527 ( 0.000 0.000 4.073) 4.073 5.613 ( 0.000 0.000 -4.156) 4.156 5.657 ( 0.000 0.000 0.141) 0.141 5.665 ( 0.000 0.000 -0.278) 0.278 5.885 ( 0.000 0.000 -10.112) 10.112 6.011 ( 0.000 0.000 14.618) 14.618 6.164 ( 0.000 0.000 1.176) 1.176 6.667 ( 0.000 0.000 8.932) 8.932 6.800 ( 0.000 0.000 -0.063) 0.063 7.031 ( 0.000 0.000 -2.159) 2.159 7.159 ( 0.000 0.000 -1.664) 1.664 7.306 ( 0.000 0.000 -3.743) 3.743 7.444 ( 0.000 0.000 -5.240) 5.240 7.722 ( 0.000 0.000 11.146) 11.146 7.739 ( 0.000 0.000 -6.143) 6.143 7.878 ( 0.000 0.000 -7.112) 7.112 8.013 ( 0.000 0.000 -11.331) 11.331 8.044 ( 0.000 0.000 1.372) 1.372 8.164 ( 0.000 0.000 1.251) 1.251 8.213 ( 0.000 0.000 0.959) 0.959 8.512 ( 0.000 0.000 6.463) 6.463 8.646 ( 0.000 0.000 6.731) 6.731 8.708 ( 0.000 0.000 10.569) 10.569 8.828 ( 0.000 0.000 -2.117) 2.117 9.054 ( 0.000 0.000 0.816) 0.816 9.174 ( 0.000 0.000 -13.256) 13.256 9.207 ( 0.000 0.000 0.641) 0.641 9.534 ( 0.000 0.000 -6.469) 6.469 10.106 ( 0.000 0.000 -7.979) 7.979 10.189 ( 0.000 0.000 -5.952) 5.952 10.287 ( 0.000 0.000 5.151) 5.151 10.388 ( 0.000 0.000 -7.587) 7.587 10.423 ( 0.000 0.000 0.034) 0.034 10.542 ( 0.000 0.000 8.262) 8.262 10.560 ( 0.000 0.000 1.893) 1.893 10.614 ( 0.000 0.000 4.712) 4.712 11.192 ( 0.000 0.000 0.522) 0.522 11.340 ( 0.000 0.000 -0.168) 0.168 11.366 ( 0.000 0.000 -7.607) 7.607 11.492 ( 0.000 0.000 -20.722) 20.722 11.564 ( 0.000 0.000 -2.873) 2.873 11.679 ( 0.000 0.000 -5.689) 5.689 12.426 ( 0.000 0.000 13.395) 13.395 12.495 ( 0.000 0.000 8.283) 8.283 12.720 ( 0.000 0.000 12.599) 12.599 12.831 ( 0.000 0.000 -0.779) 0.779 12.932 ( 0.000 0.000 -1.873) 1.873 13.386 ( 0.000 0.000 1.616) 1.616 13.425 ( 0.000 0.000 0.085) 0.085 13.770 ( 0.000 0.000 4.768) 4.768 13.822 ( 0.000 0.000 2.829) 2.829 14.218 ( 0.000 0.000 -1.730) 1.730 14.284 ( 0.000 0.000 -1.463) 1.463 14.780 ( 0.000 0.000 8.706) 8.706 14.989 ( 0.000 0.000 -6.129) 6.129 15.346 ( 0.000 0.000 -26.898) 26.898 15.469 ( 0.000 0.000 -1.723) 1.723 15.793 ( 0.000 0.000 3.806) 3.806 16.450 ( 0.000 0.000 5.236) 5.236 16.495 ( 0.000 0.000 0.784) 0.784 16.967 ( 0.000 0.000 4.603) 4.603 17.294 ( 0.000 0.000 -0.989) 0.989 17.403 ( 0.000 0.000 -1.187) 1.187 17.795 ( 0.000 0.000 -3.956) 3.956 17.856 ( 0.000 0.000 5.658) 5.658 18.015 ( 0.000 0.000 5.962) 5.962 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 13.752 0.000 19.024) 23.474 0.776 ( 19.397 0.000 18.293) 26.662 1.391 ( -18.288 0.000 8.297) 20.082 1.540 ( 28.093 0.000 30.911) 41.769 1.751 ( -6.482 0.000 10.276) 12.150 2.160 ( 17.184 0.000 2.170) 17.320 2.189 ( 1.181 0.000 0.500) 1.282 2.286 ( -0.078 0.000 3.529) 3.530 2.481 ( 1.738 0.000 -7.755) 7.948 2.619 ( -0.235 0.000 -4.348) 4.354 2.741 ( 1.720 0.000 -7.061) 7.267 2.749 ( -7.945 0.000 -4.319) 9.043 2.819 ( -8.984 0.000 1.773) 9.157 2.850 ( -2.533 0.000 -0.075) 2.534 2.920 ( -8.186 0.000 -4.333) 9.262 3.034 ( -4.228 0.000 1.336) 4.434 3.121 ( 8.253 0.000 -4.136) 9.232 3.166 ( -4.655 0.000 1.216) 4.811 3.334 ( -3.128 0.000 -4.427) 5.420 3.343 ( -3.994 0.000 0.987) 4.114 3.468 ( 0.173 0.000 4.439) 4.442 3.503 ( 6.687 0.000 -3.509) 7.552 3.572 ( -20.102 0.000 12.904) 23.887 3.612 ( -5.412 0.000 6.987) 8.838 3.690 ( -0.870 0.000 3.143) 3.261 3.793 ( 8.362 0.000 1.884) 8.572 3.898 ( -7.264 0.000 -2.510) 7.686 4.062 ( -2.810 0.000 1.400) 3.139 4.105 ( 1.223 0.000 0.056) 1.225 4.127 ( -2.180 0.000 -0.313) 2.202 4.185 ( 4.033 0.000 -1.786) 4.411 4.366 ( -1.704 0.000 -3.328) 3.738 4.477 ( -0.007 0.000 1.161) 1.161 4.614 ( -3.257 0.000 -3.368) 4.685 4.656 ( 1.648 0.000 -3.634) 3.991 4.745 ( -1.571 0.000 -1.707) 2.320 4.773 ( 11.282 0.000 3.768) 11.895 4.953 ( 15.014 0.000 2.214) 15.176 5.044 ( -3.273 0.000 -2.814) 4.317 5.183 ( 5.174 0.000 -4.237) 6.687 5.293 ( 1.958 0.000 4.027) 4.478 5.371 ( 0.734 0.000 -0.725) 1.032 5.463 ( -3.951 0.000 2.627) 4.745 5.577 ( -4.294 0.000 -4.111) 5.945 5.657 ( -0.153 0.000 -0.911) 0.924 5.716 ( 0.496 0.000 -3.751) 3.784 5.950 ( 3.938 0.000 -2.795) 4.829 6.018 ( 0.363 0.000 5.867) 5.878 6.277 ( 10.056 0.000 2.953) 10.480 6.605 ( -3.540 0.000 2.742) 4.477 7.001 ( 15.708 0.000 3.743) 16.148 7.027 ( -0.045 0.000 -2.050) 2.050 7.110 ( -3.697 0.000 -1.362) 3.940 7.349 ( 3.115 0.000 -4.158) 5.196 7.434 ( -0.919 0.000 -4.863) 4.949 7.582 ( -11.114 0.000 11.825) 16.228 7.620 ( -7.862 0.000 -4.498) 9.057 7.888 ( -12.711 0.000 -9.039) 15.597 7.899 ( 2.258 0.000 -4.023) 4.613 8.042 ( -3.806 0.000 2.249) 4.421 8.104 ( 3.015 0.000 2.730) 4.067 8.248 ( -0.918 0.000 -8.581) 8.630 8.601 ( 7.086 0.000 6.456) 9.586 8.698 ( 5.777 0.000 2.621) 6.344 8.879 ( 10.372 0.000 5.035) 11.529 8.929 ( 6.134 0.000 0.073) 6.134 9.052 ( -0.882 0.000 -0.771) 1.171 9.117 ( -2.606 0.000 -5.610) 6.186 9.205 ( -1.771 0.000 -3.762) 4.158 9.286 ( -14.235 0.000 5.165) 15.143 9.898 ( -5.096 0.000 -1.949) 5.456 10.035 ( -6.260 0.000 0.346) 6.270 10.227 ( -11.836 0.000 -1.156) 11.892 10.230 ( -14.421 0.000 6.045) 15.637 10.535 ( 12.742 0.000 -1.623) 12.845 10.648 ( 14.467 0.000 -6.545) 15.879 10.738 ( 14.473 0.000 -2.578) 14.701 10.797 ( 5.168 0.000 4.159) 6.634 11.206 ( -11.184 0.000 -6.422) 12.897 11.211 ( 1.421 0.000 -0.129) 1.426 11.308 ( -2.705 0.000 -0.217) 2.714 11.410 ( -9.642 0.000 -16.412) 19.035 11.577 ( 1.115 0.000 -2.730) 2.949 11.650 ( -2.306 0.000 -4.648) 5.189 12.476 ( 1.265 0.000 13.126) 13.187 12.540 ( 0.549 0.000 13.635) 13.646 12.826 ( 0.507 0.000 -0.329) 0.605 12.921 ( -1.641 0.000 -0.212) 1.655 13.119 ( 20.374 0.000 -15.153) 25.391 13.405 ( 0.027 0.000 -1.264) 1.265 13.444 ( 3.229 0.000 1.697) 3.648 13.679 ( -6.860 0.000 4.356) 8.126 13.896 ( 6.514 0.000 1.395) 6.662 14.172 ( -4.420 0.000 -1.479) 4.661 14.387 ( 8.416 0.000 5.194) 9.889 14.743 ( -5.090 0.000 8.319) 9.753 14.953 ( 0.413 0.000 -9.414) 9.423 15.204 ( -8.931 0.000 -20.894) 22.723 15.583 ( 6.497 0.000 -6.044) 8.873 15.769 ( -2.410 0.000 0.364) 2.437 16.545 ( 6.353 0.000 6.533) 9.112 16.602 ( 6.629 0.000 -7.526) 10.029 16.951 ( -0.900 0.000 6.045) 6.112 17.194 ( -9.364 0.000 3.048) 9.848 17.484 ( 5.213 0.000 -2.364) 5.724 17.627 ( -5.628 0.000 2.692) 6.239 17.898 ( 0.642 0.000 5.434) 5.472 17.959 ( -3.097 0.000 8.920) 9.442 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -17.668 0.000 12.018) 21.368 1.022 ( 17.668 0.000 12.018) 21.368 1.273 ( -24.976 0.000 6.681) 25.854 1.273 ( 24.976 0.000 6.681) 25.854 2.184 ( -6.626 0.000 4.187) 7.838 2.184 ( 6.626 0.000 4.187) 7.838 2.442 ( -25.098 0.000 13.769) 28.627 2.442 ( 25.098 0.000 13.769) 28.627 2.458 ( -9.111 0.000 -5.128) 10.455 2.458 ( 9.111 0.000 -5.128) 10.455 2.653 ( -2.255 0.000 1.094) 2.506 2.653 ( 2.255 0.000 1.094) 2.506 2.716 ( -1.547 0.000 -3.312) 3.656 2.716 ( 1.547 0.000 -3.312) 3.656 2.906 ( -6.156 0.000 -1.072) 6.249 2.906 ( 6.156 0.000 -1.072) 6.249 3.134 ( -5.378 0.000 3.508) 6.421 3.134 ( 5.378 0.000 3.508) 6.421 3.259 ( -5.020 0.000 -4.888) 7.007 3.259 ( 5.020 0.000 -4.888) 7.007 3.507 ( -3.964 0.000 6.469) 7.587 3.507 ( 3.964 0.000 6.469) 7.587 3.561 ( -4.493 0.000 -0.358) 4.507 3.561 ( 4.493 0.000 -0.358) 4.507 3.738 ( -7.882 0.000 -1.166) 7.968 3.738 ( 7.882 0.000 -1.166) 7.968 3.957 ( -7.025 0.000 1.341) 7.151 3.957 ( 7.025 0.000 1.341) 7.151 4.106 ( -0.340 0.000 0.575) 0.668 4.106 ( 0.340 0.000 0.575) 0.668 4.292 ( -5.305 0.000 -2.295) 5.780 4.292 ( 5.305 0.000 -2.295) 5.780 4.522 ( -4.283 0.000 -0.332) 4.296 4.522 ( 4.283 0.000 -0.332) 4.296 4.700 ( -2.467 0.000 -2.930) 3.830 4.700 ( 2.467 0.000 -2.930) 3.830 4.945 ( -6.279 0.000 -0.673) 6.315 4.945 ( 6.279 0.000 -0.673) 6.315 5.187 ( -6.051 0.000 -1.568) 6.251 5.187 ( 6.051 0.000 -1.568) 6.251 5.401 ( -2.220 0.000 1.141) 2.496 5.401 ( 2.220 0.000 1.141) 2.496 5.435 ( -9.538 0.000 -0.238) 9.540 5.435 ( 9.538 0.000 -0.238) 9.540 5.677 ( -2.387 0.000 -2.278) 3.299 5.677 ( 2.387 0.000 -2.278) 3.299 6.008 ( -1.650 0.000 1.335) 2.122 6.008 ( 1.650 0.000 1.335) 2.122 6.490 ( -8.802 0.000 1.327) 8.902 6.490 ( 8.803 0.000 1.327) 8.902 7.046 ( -2.131 0.000 -1.510) 2.612 7.046 ( 2.131 0.000 -1.510) 2.612 7.333 ( -14.046 0.000 7.692) 16.014 7.333 ( 14.046 0.000 7.692) 16.014 7.404 ( -2.083 0.000 -4.598) 5.048 7.404 ( 2.083 0.000 -4.598) 5.048 7.605 ( -9.563 0.000 -4.801) 10.700 7.605 ( 9.563 0.000 -4.801) 10.700 7.963 ( -3.710 0.000 -0.407) 3.732 7.963 ( 3.710 0.000 -0.407) 3.732 8.189 ( -4.232 0.000 -3.238) 5.329 8.189 ( 4.232 0.000 -3.238) 5.329 8.741 ( -4.204 0.000 5.253) 6.729 8.741 ( 4.204 0.000 5.253) 6.729 9.006 ( -2.542 0.000 -2.416) 3.507 9.006 ( 2.542 0.000 -2.416) 3.507 9.062 ( -8.904 0.000 2.529) 9.256 9.062 ( 8.904 0.000 2.529) 9.256 9.140 ( -3.624 0.000 -2.838) 4.603 9.140 ( 3.624 0.000 -2.838) 4.603 9.980 ( -10.675 0.000 -0.541) 10.689 9.980 ( 10.675 0.000 -0.541) 10.689 10.015 ( -5.072 0.000 3.042) 5.914 10.015 ( 5.072 0.000 3.042) 5.914 10.765 ( -7.937 0.000 -0.614) 7.960 10.765 ( 7.937 0.000 -0.614) 7.960 10.911 ( -10.537 0.000 -5.385) 11.833 10.911 ( 10.537 0.000 -5.385) 11.833 11.131 ( -14.899 0.000 -10.560) 18.262 11.131 ( 14.899 0.000 -10.560) 18.262 11.249 ( -2.597 0.000 -0.316) 2.617 11.249 ( 2.597 0.000 -0.316) 2.617 11.607 ( -1.769 0.000 -2.918) 3.412 11.607 ( 1.769 0.000 -2.918) 3.412 12.516 ( -2.203 0.000 12.907) 13.093 12.516 ( 2.203 0.000 12.907) 13.093 12.867 ( -3.073 0.000 0.680) 3.147 12.867 ( 3.073 0.000 0.680) 3.147 13.354 ( -5.498 0.000 -7.198) 9.057 13.354 ( 5.498 0.000 -7.198) 9.057 13.545 ( -5.888 0.000 3.290) 6.745 13.545 ( 5.888 0.000 3.290) 6.745 14.047 ( -7.447 0.000 -0.533) 7.466 14.047 ( 7.447 0.000 -0.533) 7.466 14.580 ( -9.695 0.000 9.119) 13.310 14.580 ( 9.695 0.000 9.119) 13.310 15.037 ( -6.847 0.000 -17.437) 18.733 15.037 ( 6.847 0.000 -17.437) 18.733 15.697 ( -4.609 0.000 -3.121) 5.566 15.697 ( 4.609 0.000 -3.121) 5.566 16.654 ( -2.146 0.000 -2.518) 3.308 16.654 ( 2.146 0.000 -2.518) 3.308 16.995 ( -6.937 0.000 9.236) 11.550 16.995 ( 6.937 0.000 9.236) 11.550 17.571 ( -2.844 0.000 -3.377) 4.415 17.571 ( 2.844 0.000 -3.377) 4.415 17.912 ( -1.407 0.000 8.709) 8.822 17.912 ( 1.407 0.000 8.709) 8.822 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 11.682 25.744) 28.271 0.918 ( 0.000 18.471 24.752) 30.885 1.448 ( 0.000 42.330 26.601) 49.995 1.891 ( 0.000 3.913 7.530) 8.487 1.955 ( 0.000 16.376 5.869) 17.396 2.033 ( 0.000 13.643 4.101) 14.246 2.176 ( 0.000 -0.250 1.725) 1.743 2.296 ( 0.000 1.841 1.882) 2.633 2.506 ( 0.000 4.360 -6.051) 7.459 2.616 ( 0.000 -2.291 -2.069) 3.087 2.650 ( 0.000 -0.265 -6.515) 6.521 2.857 ( 0.000 -5.534 1.019) 5.627 2.877 ( 0.000 -4.180 -0.539) 4.215 2.930 ( 0.000 -3.110 1.766) 3.576 3.006 ( 0.000 8.209 -3.189) 8.807 3.013 ( 0.000 -2.353 -5.730) 6.195 3.126 ( 0.000 -2.429 -0.663) 2.518 3.134 ( 0.000 0.674 -8.258) 8.286 3.320 ( 0.000 1.263 -3.394) 3.621 3.351 ( 0.000 -2.333 -2.477) 3.403 3.445 ( 0.000 2.491 -4.262) 4.936 3.638 ( 0.000 6.069 0.160) 6.071 3.732 ( 0.000 -2.377 1.685) 2.914 3.794 ( 0.000 5.395 3.505) 6.433 3.812 ( 0.000 7.470 6.028) 9.599 3.899 ( 0.000 7.271 3.247) 7.963 3.982 ( 0.000 -1.780 0.073) 1.781 4.099 ( 0.000 -3.275 0.378) 3.297 4.124 ( 0.000 0.165 7.428) 7.429 4.150 ( 0.000 1.570 4.018) 4.314 4.281 ( 0.000 16.023 -0.428) 16.028 4.466 ( 0.000 -3.586 -0.013) 3.586 4.487 ( 0.000 -0.323 3.488) 3.502 4.609 ( 0.000 9.578 -1.388) 9.678 4.617 ( 0.000 16.219 -3.211) 16.534 4.693 ( 0.000 5.151 1.568) 5.384 4.724 ( 0.000 -2.173 1.215) 2.489 4.917 ( 0.000 9.715 -1.204) 9.790 5.112 ( 0.000 3.138 -4.654) 5.613 5.145 ( 0.000 4.605 -3.416) 5.734 5.316 ( 0.000 2.826 4.218) 5.077 5.396 ( 0.000 2.988 1.282) 3.251 5.550 ( 0.000 0.533 4.819) 4.848 5.557 ( 0.000 -4.471 -4.759) 6.530 5.716 ( 0.000 4.952 0.635) 4.993 5.722 ( 0.000 7.552 0.366) 7.560 5.975 ( 0.000 6.807 -7.709) 10.284 6.200 ( 0.000 3.076 0.164) 3.081 6.334 ( 0.000 32.469 9.303) 33.775 6.795 ( 0.000 0.308 -3.796) 3.808 7.078 ( 0.000 2.944 -2.789) 4.056 7.084 ( 0.000 22.398 -11.204) 25.043 7.154 ( 0.000 0.833 -1.036) 1.329 7.319 ( 0.000 4.297 -4.187) 6.000 7.426 ( 0.000 -0.934 -5.326) 5.408 7.655 ( 0.000 -5.721 -2.697) 6.325 7.737 ( 0.000 1.602 13.811) 13.904 7.820 ( 0.000 -3.084 -4.696) 5.618 8.119 ( 0.000 -2.190 -1.773) 2.817 8.159 ( 0.000 9.252 -9.151) 13.013 8.195 ( 0.000 11.235 0.016) 11.235 8.257 ( 0.000 5.649 0.148) 5.651 8.510 ( 0.000 -0.331 4.000) 4.013 8.672 ( 0.000 2.458 7.194) 7.602 8.847 ( 0.000 9.957 6.729) 12.018 8.949 ( 0.000 9.651 -5.516) 11.116 9.196 ( 0.000 1.351 -8.840) 8.943 9.240 ( 0.000 17.511 -0.392) 17.515 9.353 ( 0.000 12.573 0.364) 12.579 9.586 ( 0.000 8.236 -4.988) 9.629 10.026 ( 0.000 -6.734 -8.085) 10.522 10.068 ( 0.000 -11.512 16.326) 19.976 10.356 ( 0.000 6.080 4.708) 7.690 10.385 ( 0.000 2.817 0.105) 2.819 10.411 ( 0.000 -0.454 0.468) 0.652 10.423 ( 0.000 0.655 5.631) 5.668 10.695 ( 0.000 12.297 -0.535) 12.308 10.704 ( 0.000 7.834 4.865) 9.222 11.099 ( 0.000 -3.372 -4.231) 5.410 11.408 ( 0.000 4.585 -6.426) 7.893 11.455 ( 0.000 11.621 -3.305) 12.082 11.595 ( 0.000 3.015 -2.611) 3.988 11.627 ( 0.000 10.368 -11.577) 15.541 11.699 ( 0.000 2.078 -6.995) 7.297 12.472 ( 0.000 -2.112 7.725) 8.009 12.513 ( 0.000 6.693 2.228) 7.054 12.542 ( 0.000 -0.314 17.283) 17.286 12.914 ( 0.000 -2.137 -0.548) 2.207 13.240 ( 0.000 8.063 -11.046) 13.676 13.337 ( 0.000 -4.567 0.532) 4.598 13.413 ( 0.000 -1.528 -0.264) 1.551 13.782 ( 0.000 -4.163 1.731) 4.508 13.792 ( 0.000 2.637 3.183) 4.134 14.240 ( 0.000 2.199 0.237) 2.211 14.316 ( 0.000 2.993 -1.404) 3.306 14.778 ( 0.000 -0.667 7.529) 7.559 14.977 ( 0.000 -1.377 -5.986) 6.143 15.339 ( 0.000 -0.595 -25.450) 25.457 15.427 ( 0.000 -4.622 -1.667) 4.914 16.011 ( 0.000 15.364 -15.712) 21.976 16.397 ( 0.000 -7.078 -3.331) 7.823 16.465 ( 0.000 -1.400 7.665) 7.792 16.944 ( 0.000 -2.277 5.990) 6.408 17.228 ( 0.000 -6.749 -1.092) 6.837 17.331 ( 0.000 -7.006 -1.790) 7.231 17.642 ( 0.000 -11.598 6.451) 13.271 17.828 ( 0.000 -2.919 5.890) 6.574 17.929 ( 0.000 -5.848 7.984) 9.897 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 17.247 12.174 14.039) 25.353 1.153 ( 12.895 26.713 13.410) 32.553 1.673 ( -4.317 17.494 11.062) 21.144 1.703 ( -3.975 20.808 12.808) 24.755 1.820 ( 6.837 12.283 15.917) 21.236 2.179 ( 0.679 -0.721 0.547) 1.131 2.222 ( 5.717 1.313 3.753) 6.963 2.363 ( 8.586 8.612 1.938) 12.314 2.521 ( 1.471 3.793 -6.827) 7.947 2.587 ( -0.129 -1.695 -4.034) 4.377 2.730 ( 2.260 0.826 -5.636) 6.128 2.773 ( -5.790 -1.935 -2.661) 6.659 2.796 ( -3.885 -4.974 -0.182) 6.314 2.891 ( -7.587 6.993 -0.416) 10.327 2.929 ( -6.143 2.470 -3.745) 7.607 2.959 ( 0.867 -4.044 2.736) 4.959 3.074 ( -4.928 -3.586 0.458) 6.112 3.236 ( 3.735 1.531 -4.737) 6.224 3.333 ( -0.144 1.955 0.107) 1.963 3.391 ( -2.449 -0.318 -4.475) 5.111 3.469 ( 1.790 -1.045 -0.376) 2.107 3.514 ( -11.438 1.359 7.410) 13.696 3.635 ( -3.827 4.880 1.617) 6.409 3.733 ( -2.503 5.037 6.006) 8.228 3.759 ( -3.805 2.788 5.805) 7.480 3.830 ( -5.660 4.936 -0.404) 7.521 3.952 ( 8.631 8.419 0.792) 12.083 4.062 ( 0.382 -1.870 -0.687) 2.029 4.090 ( -0.939 -2.002 0.598) 2.291 4.291 ( 2.374 11.508 -1.403) 11.834 4.319 ( -6.216 15.050 2.811) 16.524 4.374 ( 2.872 4.315 -0.969) 5.273 4.485 ( -1.238 -2.171 -0.260) 2.513 4.508 ( -6.169 -1.838 -1.482) 6.605 4.692 ( 5.479 8.035 -1.514) 9.842 4.799 ( 7.918 3.831 0.690) 8.823 4.888 ( 0.461 6.015 -2.432) 6.504 4.986 ( 11.821 4.449 1.976) 12.784 5.071 ( -2.856 3.205 -2.760) 5.104 5.197 ( 3.004 2.343 -3.594) 5.238 5.319 ( 1.660 3.083 2.475) 4.288 5.380 ( -0.770 0.127 0.943) 1.224 5.487 ( -1.937 1.867 2.772) 3.862 5.609 ( -0.737 3.345 -2.809) 4.430 5.697 ( -0.193 3.890 1.497) 4.173 5.742 ( 0.556 5.566 -0.832) 5.655 6.001 ( 2.239 4.253 -4.950) 6.900 6.127 ( -3.906 6.011 1.392) 7.302 6.512 ( 13.211 27.424 4.647) 30.793 6.855 ( 2.482 7.550 -9.079) 12.066 7.025 ( -1.518 7.794 -3.446) 8.656 7.114 ( -2.862 7.217 -2.008) 8.019 7.161 ( 6.536 8.691 1.814) 11.025 7.336 ( 2.083 0.185 -3.324) 3.927 7.411 ( -1.175 -1.968 -4.641) 5.176 7.587 ( -5.829 -2.297 -1.198) 6.379 7.617 ( -8.952 3.029 10.886) 14.416 7.846 ( -0.790 -2.206 -3.045) 3.842 7.956 ( -10.138 3.648 -5.751) 12.214 8.071 ( -5.282 2.880 3.018) 6.731 8.192 ( -1.485 7.681 0.893) 7.874 8.254 ( -1.017 2.255 -7.349) 7.754 8.660 ( 11.431 3.836 6.384) 13.644 8.777 ( 7.190 4.965 3.123) 9.279 8.839 ( 3.868 2.878 1.990) 5.216 9.018 ( -0.814 2.788 5.692) 6.390 9.171 ( 0.256 3.322 -10.006) 10.546 9.233 ( -0.634 15.823 -0.965) 15.865 9.334 ( -2.060 13.236 0.134) 13.396 9.427 ( -7.728 16.314 0.158) 18.052 9.908 ( -0.061 1.421 -2.086) 2.525 10.075 ( -6.945 5.577 3.425) 9.543 10.223 ( -9.097 1.389 -1.054) 9.263 10.323 ( -3.810 5.354 3.895) 7.639 10.593 ( 8.217 5.667 -2.549) 10.302 10.663 ( 11.678 0.125 -5.728) 13.008 10.788 ( 9.942 5.425 -2.185) 11.535 10.800 ( 11.393 2.772 8.807) 14.664 11.073 ( -2.768 -3.689 -6.393) 7.883 11.339 ( -6.010 4.582 -7.362) 10.551 11.426 ( -2.431 11.817 -1.881) 12.210 11.508 ( -8.229 7.819 -6.681) 13.172 11.621 ( 0.473 5.605 -3.756) 6.763 11.675 ( -1.828 2.730 -5.536) 6.437 12.465 ( 0.896 -1.420 8.146) 8.317 12.535 ( -0.975 -0.751 13.774) 13.829 12.654 ( 8.157 -4.035 2.504) 9.439 12.878 ( -3.286 -3.712 0.930) 5.044 13.294 ( 4.541 4.239 -9.758) 11.567 13.387 ( 4.439 -3.805 0.594) 5.877 13.411 ( -0.313 -1.740 -1.190) 2.131 13.675 ( -8.099 -0.023 2.240) 8.403 13.864 ( 6.075 -1.928 0.930) 6.441 14.172 ( -5.909 0.205 -1.012) 5.998 14.397 ( 6.844 1.382 5.572) 8.933 14.721 ( -5.791 -1.958 8.452) 10.431 14.978 ( 1.534 1.009 -9.545) 9.720 15.202 ( -7.969 -0.608 -17.861) 19.567 15.564 ( 8.084 -1.708 -7.222) 10.974 15.880 ( -8.136 9.099 -7.546) 14.350 16.519 ( 5.475 -6.391 -2.400) 8.751 16.531 ( 6.287 -3.245 -0.688) 7.109 16.916 ( -1.358 -3.306 7.869) 8.643 17.149 ( -8.067 -4.024 3.242) 9.580 17.405 ( 5.535 -7.894 -2.035) 9.854 17.561 ( -3.093 -5.854 2.921) 7.237 17.848 ( 0.620 -4.612 7.284) 8.643 17.905 ( -1.969 -4.904 8.246) 9.794 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -20.353 8.760 6.256) 23.024 1.341 ( 20.353 8.760 6.256) 23.024 1.417 ( -11.021 27.641 7.953) 30.801 1.417 ( 11.021 27.641 7.953) 30.801 2.174 ( -3.908 -0.037 2.439) 4.607 2.174 ( 3.908 -0.037 2.439) 4.607 2.452 ( -19.451 3.548 9.519) 21.944 2.452 ( 19.451 3.548 9.519) 21.944 2.542 ( -3.966 2.427 -3.225) 5.659 2.542 ( 3.966 2.427 -3.225) 5.659 2.675 ( -3.781 4.684 -0.352) 6.030 2.675 ( 3.781 4.684 -0.352) 6.030 2.765 ( -1.703 4.223 -0.755) 4.616 2.765 ( 1.703 4.223 -0.755) 4.616 2.885 ( -6.693 -0.426 -0.135) 6.708 2.885 ( 6.693 -0.426 -0.135) 6.708 3.071 ( -7.532 -4.606 6.093) 10.728 3.071 ( 7.532 -4.606 6.093) 10.728 3.337 ( -3.323 2.363 -5.260) 6.655 3.337 ( 3.323 2.363 -5.260) 6.655 3.528 ( -5.963 -0.628 -0.507) 6.017 3.528 ( 5.963 -0.628 -0.507) 6.017 3.663 ( -6.262 7.406 1.117) 9.763 3.663 ( 6.262 7.406 1.117) 9.763 3.727 ( -1.891 2.731 2.944) 4.438 3.727 ( 1.891 2.731 2.944) 4.438 4.050 ( -1.185 -1.645 -0.684) 2.139 4.050 ( 1.185 -1.645 -0.684) 2.139 4.167 ( -7.838 10.762 2.173) 13.490 4.167 ( 7.838 10.762 2.173) 13.490 4.362 ( -4.358 6.736 -1.764) 8.214 4.362 ( 4.358 6.736 -1.764) 8.214 4.456 ( -1.374 0.954 -0.017) 1.673 4.456 ( 1.374 0.954 -0.017) 1.673 4.800 ( -4.994 8.155 -2.428) 9.866 4.800 ( 4.994 8.155 -2.428) 9.866 4.967 ( -6.232 1.916 -1.207) 6.630 4.967 ( 6.232 1.916 -1.207) 6.630 5.187 ( -4.839 0.722 -0.436) 4.912 5.187 ( 4.839 0.722 -0.436) 4.912 5.373 ( -0.988 -1.545 0.008) 1.834 5.373 ( 0.988 -1.545 0.008) 1.834 5.517 ( -5.637 6.649 1.813) 8.904 5.517 ( 5.637 6.649 1.813) 8.904 5.726 ( -1.763 5.636 -1.087) 6.005 5.726 ( 1.763 5.636 -1.087) 6.005 6.057 ( -3.142 3.195 -1.134) 4.622 6.057 ( 3.142 3.195 -1.134) 4.622 6.777 ( -10.268 25.284 -3.825) 27.556 6.777 ( 10.268 25.284 -3.825) 27.556 7.041 ( -2.703 1.435 -1.216) 3.293 7.041 ( 2.703 1.435 -1.216) 3.293 7.356 ( -6.242 -0.633 1.571) 6.468 7.356 ( 6.242 -0.633 1.571) 6.468 7.410 ( -7.068 2.971 2.004) 7.924 7.410 ( 7.068 2.971 2.004) 7.924 7.623 ( -10.535 2.246 -3.282) 11.261 7.623 ( 10.535 2.246 -3.282) 11.261 7.965 ( -4.621 0.412 1.013) 4.749 7.965 ( 4.621 0.412 1.013) 4.749 8.210 ( -2.524 2.606 -3.191) 4.831 8.210 ( 2.524 2.606 -3.191) 4.831 8.840 ( -3.455 8.340 4.341) 10.017 8.840 ( 3.455 8.340 4.341) 10.017 8.945 ( -5.114 -2.524 2.632) 6.282 8.945 ( 5.114 -2.524 2.632) 6.282 9.212 ( -2.332 8.371 -3.947) 9.544 9.212 ( 2.332 8.371 -3.947) 9.544 9.307 ( -2.074 17.753 -0.955) 17.899 9.307 ( 2.074 17.753 -0.955) 17.899 9.995 ( -6.695 4.797 -0.197) 8.239 9.995 ( 6.695 4.797 -0.197) 8.239 10.140 ( -9.145 10.205 2.825) 13.991 10.140 ( 9.145 10.205 2.825) 13.991 10.771 ( -4.651 0.039 -4.573) 6.523 10.771 ( 4.651 0.039 -4.573) 6.523 10.921 ( -4.051 2.004 -1.169) 4.668 10.921 ( 4.051 2.004 -1.169) 4.668 11.145 ( -12.533 2.497 -9.448) 15.893 11.145 ( 12.533 2.497 -9.448) 15.893 11.392 ( -0.700 11.535 -0.499) 11.568 11.392 ( 0.700 11.535 -0.499) 11.568 11.641 ( -1.369 3.834 -3.572) 5.416 11.641 ( 1.369 3.834 -3.572) 5.416 12.501 ( -2.146 -1.606 9.708) 10.071 12.501 ( 2.146 -1.606 9.708) 10.071 12.788 ( -5.427 -5.855 2.823) 8.468 12.788 ( 5.427 -5.855 2.823) 8.468 13.380 ( -2.977 0.117 -5.647) 6.385 13.380 ( 2.977 0.117 -5.647) 6.385 13.510 ( -7.321 -2.420 2.172) 8.011 13.510 ( 7.321 -2.420 2.172) 8.011 14.019 ( -8.377 -1.953 -0.555) 8.619 14.019 ( 8.377 -1.953 -0.555) 8.619 14.563 ( -8.778 -1.162 8.940) 12.583 14.563 ( 8.778 -1.162 8.940) 12.583 15.057 ( -5.904 1.047 -14.767) 15.938 15.057 ( 5.904 1.047 -14.767) 15.938 15.723 ( -7.525 2.615 -5.749) 9.824 15.723 ( 7.525 2.615 -5.749) 9.824 16.595 ( -0.943 -6.121 -3.836) 7.285 16.595 ( 0.943 -6.121 -3.836) 7.285 16.965 ( -7.183 -2.460 10.095) 12.631 16.965 ( 7.183 -2.460 10.095) 12.631 17.509 ( -3.773 -6.004 -3.245) 7.798 17.509 ( 3.773 -6.004 -3.245) 7.798 17.865 ( -1.527 -4.589 9.036) 10.249 17.865 ( 1.527 -4.589 9.036) 10.249 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 17.532 16.791) 24.275 1.259 ( 0.000 18.107 20.489) 27.344 1.924 ( 0.000 2.839 6.483) 7.077 2.168 ( 0.000 0.374 2.389) 2.419 2.173 ( 0.000 0.395 1.895) 1.936 2.232 ( 0.000 9.620 1.630) 9.757 2.375 ( 0.000 42.227 9.839) 43.358 2.395 ( 0.000 5.444 -0.075) 5.444 2.518 ( 0.000 -2.903 0.491) 2.944 2.633 ( 0.000 -2.982 -0.383) 3.006 2.714 ( 0.000 -6.712 -0.524) 6.733 2.724 ( 0.000 11.416 -1.581) 11.525 2.826 ( 0.000 0.057 0.791) 0.793 2.975 ( 0.000 0.868 -5.537) 5.604 2.999 ( 0.000 8.038 -3.920) 8.943 3.037 ( 0.000 -1.810 -0.289) 1.833 3.042 ( 0.000 -6.936 -1.277) 7.052 3.209 ( 0.000 7.858 -1.741) 8.048 3.358 ( 0.000 2.190 -5.053) 5.507 3.372 ( 0.000 1.100 -1.765) 2.080 3.440 ( 0.000 -1.489 -0.858) 1.718 3.457 ( 0.000 -14.832 1.050) 14.869 3.690 ( 0.000 -0.031 1.464) 1.464 3.788 ( 0.000 -4.391 0.219) 4.396 3.928 ( 0.000 -3.519 2.611) 4.381 3.940 ( 0.000 -3.363 1.783) 3.807 4.014 ( 0.000 -4.025 -2.107) 4.543 4.118 ( 0.000 7.837 6.931) 10.463 4.193 ( 0.000 3.152 5.879) 6.670 4.222 ( 0.000 10.718 -1.231) 10.788 4.367 ( 0.000 -5.367 2.085) 5.757 4.569 ( 0.000 12.955 0.793) 12.979 4.620 ( 0.000 -5.302 2.196) 5.739 4.665 ( 0.000 -0.296 -3.156) 3.170 4.726 ( 0.000 23.894 1.597) 23.947 4.949 ( 0.000 11.109 -4.092) 11.839 4.955 ( 0.000 8.932 0.371) 8.940 5.084 ( 0.000 8.339 0.065) 8.339 5.212 ( 0.000 5.741 -2.223) 6.156 5.300 ( 0.000 8.659 -0.602) 8.680 5.375 ( 0.000 1.685 -0.792) 1.862 5.494 ( 0.000 -0.242 -1.953) 1.968 5.512 ( 0.000 -0.628 5.547) 5.582 5.634 ( 0.000 21.475 5.328) 22.126 5.866 ( 0.000 11.270 1.254) 11.339 5.986 ( 0.000 19.480 -0.713) 19.493 6.034 ( 0.000 -3.267 -0.992) 3.414 6.291 ( 0.000 7.145 -1.916) 7.397 6.836 ( 0.000 4.024 -12.844) 13.460 7.073 ( 0.000 -1.984 -4.521) 4.937 7.141 ( 0.000 39.592 -1.382) 39.616 7.198 ( 0.000 -0.459 -4.218) 4.243 7.242 ( 0.000 6.141 -0.271) 6.147 7.355 ( 0.000 -1.174 -5.221) 5.352 7.557 ( 0.000 -4.168 -0.685) 4.224 7.655 ( 0.000 13.791 -9.458) 16.723 7.782 ( 0.000 0.868 -0.073) 0.871 7.797 ( 0.000 4.897 18.790) 19.417 8.110 ( 0.000 4.333 -0.173) 4.337 8.338 ( 0.000 5.899 -1.593) 6.110 8.370 ( 0.000 12.290 -9.415) 15.482 8.500 ( 0.000 14.871 3.721) 15.330 8.509 ( 0.000 0.740 3.256) 3.339 8.725 ( 0.000 3.290 5.135) 6.099 9.024 ( 0.000 7.637 9.249) 11.994 9.087 ( 0.000 3.114 -11.141) 11.568 9.165 ( 0.000 -3.634 -3.649) 5.149 9.588 ( 0.000 10.267 3.490) 10.844 9.642 ( 0.000 18.231 -2.459) 18.396 9.901 ( 0.000 0.336 -3.528) 3.544 9.956 ( 0.000 23.704 -4.290) 24.089 9.979 ( 0.000 4.355 22.188) 22.611 10.366 ( 0.000 -3.807 -4.681) 6.033 10.371 ( 0.000 -0.922 0.676) 1.144 10.570 ( 0.000 13.749 1.738) 13.858 10.689 ( 0.000 22.038 3.963) 22.391 10.874 ( 0.000 9.183 8.496) 12.510 11.009 ( 0.000 19.832 -2.635) 20.007 11.114 ( 0.000 4.935 -9.186) 10.428 11.563 ( 0.000 11.445 -4.161) 12.178 11.681 ( 0.000 6.079 -2.477) 6.564 11.690 ( 0.000 9.887 -4.448) 10.842 11.763 ( 0.000 4.514 -9.603) 10.611 11.886 ( 0.000 16.055 -4.955) 16.802 12.425 ( 0.000 -2.366 5.913) 6.369 12.583 ( 0.000 4.571 7.232) 8.556 12.672 ( 0.000 6.566 2.127) 6.901 12.820 ( 0.000 -8.490 2.725) 8.916 13.207 ( 0.000 -7.489 -6.437) 9.875 13.242 ( 0.000 -3.976 -1.574) 4.276 13.316 ( 0.000 -8.741 0.675) 8.767 13.658 ( 0.000 -8.500 0.088) 8.500 13.885 ( 0.000 7.396 3.159) 8.042 14.305 ( 0.000 4.507 3.856) 5.932 14.390 ( 0.000 4.368 -3.174) 5.399 14.782 ( 0.000 2.535 7.512) 7.929 14.919 ( 0.000 -5.293 -5.653) 7.744 15.298 ( 0.000 -8.042 -1.416) 8.166 15.336 ( 0.000 0.854 -20.364) 20.381 16.175 ( 0.000 -15.146 -3.109) 15.462 16.269 ( 0.000 10.991 -21.648) 24.278 16.439 ( 0.000 -1.984 1.335) 2.391 16.888 ( 0.000 -2.734 11.503) 11.823 17.022 ( 0.000 -14.155 -2.415) 14.360 17.154 ( 0.000 -10.245 -4.072) 11.024 17.459 ( 0.000 -6.529 11.437) 13.170 17.744 ( 0.000 -5.574 6.685) 8.704 17.790 ( 0.000 -8.746 7.519) 11.534 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 13.471 17.753 8.703) 23.924 1.499 ( 17.928 13.396 17.035) 28.126 1.842 ( -8.910 5.991 6.357) 12.478 2.082 ( -8.233 11.615 2.875) 14.524 2.167 ( -0.045 0.526 0.893) 1.037 2.202 ( -1.375 3.562 1.804) 4.223 2.418 ( 1.903 2.889 -0.048) 3.460 2.469 ( 6.585 24.171 7.501) 26.150 2.512 ( 1.113 1.123 -0.827) 1.784 2.653 ( -4.886 -4.402 -4.324) 7.871 2.683 ( 1.548 0.051 -0.646) 1.678 2.749 ( 3.667 -1.665 0.409) 4.047 2.807 ( 3.012 7.871 1.708) 8.599 2.960 ( -2.908 5.544 -1.521) 6.443 2.974 ( -1.238 5.027 -2.352) 5.687 3.006 ( -2.386 1.107 0.504) 2.678 3.061 ( -0.748 2.249 -0.543) 2.432 3.196 ( -0.255 -0.819 -0.025) 0.858 3.316 ( -8.331 -3.623 -0.302) 9.090 3.406 ( 1.724 -3.662 -1.742) 4.407 3.424 ( -0.616 0.815 -0.904) 1.365 3.518 ( 5.169 -0.520 0.091) 5.196 3.673 ( -2.115 -0.050 -0.346) 2.144 3.706 ( -12.439 3.799 9.724) 16.239 3.797 ( -1.806 -1.317 3.703) 4.325 3.937 ( 2.382 -6.275 -2.596) 7.196 3.971 ( -2.251 0.518 -0.902) 2.479 4.028 ( 1.668 -4.394 -0.881) 4.782 4.130 ( -3.699 3.376 1.277) 5.168 4.367 ( -1.908 -1.540 0.392) 2.483 4.420 ( -6.415 -1.683 0.258) 6.637 4.475 ( 2.230 12.793 -2.094) 13.154 4.634 ( 10.049 7.239 4.571) 13.201 4.764 ( 2.971 21.737 0.846) 21.955 4.874 ( 8.129 2.226 -1.187) 8.512 4.938 ( 0.638 10.934 -0.385) 10.959 4.983 ( 1.758 5.825 -3.490) 7.014 5.090 ( -0.825 5.505 -2.568) 6.131 5.189 ( -0.796 6.234 1.054) 6.372 5.287 ( -1.261 6.692 0.361) 6.819 5.355 ( -1.170 -0.636 -0.253) 1.356 5.401 ( -3.265 2.648 1.338) 4.411 5.631 ( 3.716 9.027 4.129) 10.599 5.701 ( 7.530 11.576 1.734) 13.918 5.823 ( -3.780 11.013 2.002) 11.814 5.969 ( -2.813 12.794 -1.216) 13.156 6.049 ( 2.500 2.635 -0.691) 3.697 6.239 ( -4.598 8.054 -2.291) 9.553 6.897 ( 4.769 1.824 -10.991) 12.119 7.026 ( -2.725 1.375 -5.464) 6.258 7.218 ( 4.695 13.067 -2.590) 14.124 7.251 ( 4.199 11.253 -1.460) 12.099 7.277 ( 3.739 8.000 -1.614) 8.977 7.347 ( -0.845 -2.596 -5.355) 6.011 7.552 ( -0.190 6.498 -0.178) 6.503 7.615 ( -2.312 12.302 -0.435) 12.525 7.701 ( -4.549 4.485 3.792) 7.429 7.827 ( 2.047 3.133 2.570) 4.540 8.073 ( -9.275 10.259 -2.573) 14.068 8.164 ( -5.457 7.156 -1.342) 9.099 8.334 ( -5.943 8.930 -0.968) 10.771 8.395 ( -7.207 9.913 2.761) 12.563 8.726 ( 15.137 3.700 6.414) 16.851 8.806 ( 7.297 0.551 3.415) 8.076 8.993 ( 2.070 8.266 -1.372) 8.631 9.035 ( -7.192 -0.865 2.259) 7.588 9.216 ( 5.813 2.491 -3.228) 7.100 9.547 ( -7.829 12.819 0.493) 15.029 9.661 ( 2.899 18.316 -1.590) 18.612 9.866 ( -7.315 19.974 -0.721) 21.283 9.992 ( 12.002 12.800 0.501) 17.554 10.223 ( 1.999 0.909 2.671) 3.458 10.296 ( 0.926 13.819 4.173) 14.465 10.456 ( 7.791 6.697 -0.146) 10.275 10.611 ( 10.521 0.385 1.260) 10.603 10.743 ( 1.426 6.823 -2.552) 7.423 10.877 ( -2.859 8.869 0.810) 9.354 11.055 ( 4.076 18.460 2.899) 19.126 11.111 ( 1.775 6.965 -8.904) 11.443 11.452 ( -10.181 7.567 -7.880) 14.934 11.632 ( -2.118 6.367 -1.239) 6.823 11.652 ( -3.622 8.256 -2.964) 9.490 11.789 ( 0.507 9.683 -5.303) 11.052 11.826 ( -3.654 13.711 -2.020) 14.332 12.437 ( 0.792 -0.906 3.057) 3.285 12.541 ( -3.739 1.859 5.348) 6.785 12.677 ( 0.569 2.844 2.057) 3.556 12.770 ( -3.794 -7.286 4.112) 9.186 13.229 ( 2.119 -9.165 -3.409) 10.005 13.304 ( -0.046 -8.458 -0.596) 8.479 13.329 ( 6.150 -2.147 -1.301) 6.643 13.629 ( -4.050 -6.138 0.691) 7.386 13.889 ( 2.120 5.458 0.132) 5.857 14.188 ( -8.789 1.398 -0.963) 8.951 14.459 ( 4.778 5.207 4.271) 8.257 14.700 ( -6.092 0.979 8.059) 10.150 14.961 ( 3.303 -2.702 -7.285) 8.443 15.163 ( -6.340 -3.643 -10.802) 13.044 15.539 ( 12.023 -0.126 -9.651) 15.418 16.019 ( -10.621 1.574 -9.734) 14.493 16.346 ( 4.079 -7.056 -9.264) 12.338 16.456 ( 0.233 -6.138 -3.379) 7.011 16.845 ( -0.102 -2.999 11.015) 11.417 17.058 ( -3.965 -5.011 0.635) 6.421 17.195 ( 7.342 -12.788 -0.901) 14.773 17.433 ( -2.103 -6.593 4.582) 8.299 17.734 ( -0.575 -7.040 9.231) 11.623 17.776 ( -1.350 -8.133 7.829) 11.369 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -17.474 12.501 5.474) 22.171 1.545 ( 17.474 12.501 5.474) 22.171 1.854 ( -14.058 14.273 6.956) 21.207 1.854 ( 14.058 14.273 6.956) 21.207 2.180 ( -1.015 0.349 1.097) 1.535 2.180 ( 1.015 0.349 1.097) 1.535 2.467 ( -3.221 -4.192 -4.370) 6.859 2.467 ( 3.221 -4.192 -4.370) 6.859 2.579 ( -2.742 1.470 -1.445) 3.430 2.579 ( 2.742 1.470 -1.445) 3.430 2.822 ( -5.212 -0.091 2.538) 5.798 2.822 ( 5.212 -0.091 2.538) 5.798 2.888 ( -5.024 11.213 2.183) 12.480 2.888 ( 5.024 11.213 2.183) 12.480 2.971 ( -4.989 6.596 5.107) 9.720 2.971 ( 4.989 6.596 5.107) 9.720 3.019 ( -6.837 9.345 4.028) 12.260 3.019 ( 6.837 9.345 4.028) 12.260 3.285 ( -6.422 -5.301 -1.301) 8.428 3.285 ( 6.422 -5.301 -1.301) 8.428 3.531 ( -4.895 -0.177 -1.377) 5.088 3.531 ( 4.895 -0.177 -1.377) 5.088 3.640 ( -5.016 -2.551 1.465) 5.815 3.640 ( 5.016 -2.551 1.465) 5.815 3.855 ( -7.528 3.204 0.138) 8.183 3.855 ( 7.528 3.204 0.138) 8.183 3.995 ( -2.852 -3.450 -1.063) 4.601 3.995 ( 2.852 -3.450 -1.063) 4.601 4.206 ( -8.613 -6.830 -0.407) 11.000 4.206 ( 8.613 -6.830 -0.407) 11.000 4.440 ( -2.965 10.167 0.710) 10.614 4.440 ( 2.965 10.167 0.710) 10.614 4.791 ( -2.217 17.854 0.449) 17.997 4.791 ( 2.217 17.854 0.449) 17.997 4.962 ( -1.670 6.568 -2.613) 7.263 4.962 ( 1.670 6.568 -2.613) 7.263 5.014 ( -4.289 2.909 -1.124) 5.303 5.014 ( 4.289 2.909 -1.124) 5.303 5.242 ( -3.743 4.826 1.127) 6.211 5.242 ( 3.743 4.826 1.127) 6.211 5.352 ( -1.356 0.175 0.879) 1.626 5.352 ( 1.356 0.175 0.879) 1.626 5.717 ( -4.973 13.975 3.289) 15.194 5.717 ( 4.973 13.975 3.289) 15.194 5.868 ( -6.775 5.914 -0.027) 8.993 5.868 ( 6.775 5.914 -0.027) 8.993 6.132 ( -5.223 7.867 -1.871) 9.627 6.132 ( 5.223 7.867 -1.871) 9.627 6.975 ( -2.644 0.348 -7.523) 7.982 6.975 ( 2.644 0.348 -7.523) 7.982 7.295 ( -2.746 -0.415 -4.781) 5.529 7.295 ( 2.746 -0.415 -4.781) 5.529 7.330 ( -1.892 5.952 1.210) 6.362 7.330 ( 1.892 5.952 1.210) 6.362 7.590 ( -3.559 17.367 -3.231) 18.021 7.590 ( 3.559 17.367 -3.231) 18.021 7.713 ( -9.727 7.870 -0.529) 12.524 7.713 ( 9.727 7.870 -0.529) 12.524 8.033 ( -6.764 10.822 6.440) 14.295 8.033 ( 6.764 10.822 6.440) 14.295 8.290 ( -2.136 5.099 -1.788) 5.811 8.290 ( 2.136 5.099 -1.788) 5.811 8.901 ( -5.790 -1.576 1.042) 6.091 8.901 ( 5.790 -1.576 1.042) 6.091 9.016 ( -5.156 8.392 2.077) 10.066 9.016 ( 5.156 8.392 2.077) 10.066 9.345 ( -9.404 5.523 1.640) 11.028 9.345 ( 9.404 5.523 1.640) 11.028 9.727 ( -4.755 20.781 -0.219) 21.319 9.727 ( 4.755 20.781 -0.219) 21.319 10.179 ( -3.212 14.525 -1.648) 14.967 10.179 ( 3.212 14.525 -1.648) 14.967 10.415 ( -10.372 17.488 3.647) 20.657 10.415 ( 10.372 17.488 3.647) 20.657 10.764 ( -2.315 -1.056 -6.271) 6.768 10.764 ( 2.315 -1.056 -6.271) 6.768 10.988 ( -12.235 4.462 -0.761) 13.045 10.988 ( 12.235 4.462 -0.761) 13.045 11.239 ( -9.872 7.313 -6.143) 13.736 11.239 ( 9.872 7.313 -6.143) 13.736 11.599 ( -0.804 8.829 0.250) 8.869 11.599 ( 0.804 8.829 0.250) 8.869 11.789 ( -0.427 11.229 -2.158) 11.442 11.789 ( 0.427 11.229 -2.158) 11.442 12.466 ( -2.682 -0.938 1.649) 3.286 12.466 ( 2.682 -0.938 1.649) 3.286 12.704 ( -2.304 -2.746 4.401) 5.676 12.704 ( 2.304 -2.746 4.401) 5.676 13.276 ( -2.109 -9.851 -1.568) 10.196 13.276 ( 2.109 -9.851 -1.568) 10.196 13.491 ( -8.344 -1.159 0.047) 8.424 13.491 ( 8.344 -1.159 0.047) 8.424 14.002 ( -8.330 0.733 -1.823) 8.558 14.002 ( 8.330 0.733 -1.823) 8.558 14.572 ( -6.137 3.095 7.945) 10.505 14.572 ( 6.137 3.095 7.945) 10.505 15.047 ( -5.052 -2.335 -9.768) 11.242 15.047 ( 5.052 -2.335 -9.768) 11.242 15.787 ( -11.975 3.200 -8.940) 15.283 15.787 ( 11.975 3.200 -8.940) 15.283 16.421 ( -3.169 -10.785 -5.821) 12.659 16.421 ( 3.169 -10.785 -5.821) 12.659 16.924 ( -6.818 -1.529 8.471) 10.981 16.924 ( 6.818 -1.529 8.471) 10.981 17.353 ( -6.363 -9.482 -1.731) 11.550 17.353 ( 6.363 -9.482 -1.731) 11.550 17.742 ( -1.496 -7.754 9.855) 12.629 17.742 ( 1.496 -7.754 9.855) 12.629 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 19.210 9.643) 21.494 1.623 ( 0.000 18.510 12.681) 22.437 1.966 ( 0.000 1.459 5.324) 5.520 2.163 ( 0.000 -0.533 2.372) 2.431 2.172 ( 0.000 0.007 2.664) 2.664 2.338 ( 0.000 2.287 -1.423) 2.694 2.403 ( 0.000 -2.761 1.396) 3.094 2.534 ( 0.000 3.475 1.282) 3.704 2.550 ( 0.000 -3.219 1.936) 3.756 2.582 ( 0.000 -5.574 1.084) 5.679 2.748 ( 0.000 -10.544 1.842) 10.704 2.801 ( 0.000 -3.971 0.162) 3.974 2.837 ( 0.000 1.358 1.318) 1.892 2.856 ( 0.000 -0.269 -2.350) 2.365 3.064 ( 0.000 -5.566 1.751) 5.835 3.201 ( 0.000 9.406 -7.434) 11.989 3.255 ( 0.000 4.545 -0.717) 4.601 3.265 ( 0.000 -0.851 -0.599) 1.041 3.332 ( 0.000 5.181 -5.337) 7.438 3.354 ( 0.000 14.026 1.556) 14.112 3.449 ( 0.000 5.007 -1.110) 5.129 3.527 ( 0.000 12.594 2.681) 12.876 3.655 ( 0.000 -3.252 -2.560) 4.139 3.682 ( 0.000 -4.329 -2.491) 4.995 3.816 ( 0.000 -5.527 3.732) 6.668 3.846 ( 0.000 -5.222 2.990) 6.017 3.969 ( 0.000 1.318 -0.545) 1.426 4.234 ( 0.000 0.101 4.170) 4.171 4.269 ( 0.000 7.272 6.697) 9.886 4.360 ( 0.000 5.229 2.133) 5.647 4.377 ( 0.000 5.288 -3.914) 6.578 4.497 ( 0.000 -6.079 2.440) 6.551 4.645 ( 0.000 -1.780 -2.372) 2.966 4.808 ( 0.000 7.455 0.064) 7.455 5.049 ( 0.000 2.883 -1.670) 3.332 5.067 ( 0.000 4.153 -3.793) 5.625 5.079 ( 0.000 11.588 1.307) 11.661 5.176 ( 0.000 -0.366 -0.054) 0.370 5.326 ( 0.000 6.664 -2.509) 7.121 5.397 ( 0.000 1.295 1.435) 1.933 5.442 ( 0.000 3.481 3.010) 4.602 5.455 ( 0.000 -1.921 1.191) 2.260 5.539 ( 0.000 1.835 2.201) 2.866 5.856 ( 0.000 -13.358 0.937) 13.391 6.125 ( 0.000 21.725 0.841) 21.741 6.203 ( 0.000 23.575 3.478) 23.830 6.415 ( 0.000 20.885 -0.652) 20.895 6.465 ( 0.000 9.814 1.857) 9.988 6.941 ( 0.000 6.349 -17.749) 18.851 7.041 ( 0.000 -0.528 -5.156) 5.183 7.155 ( 0.000 -1.985 -3.510) 4.033 7.245 ( 0.000 -5.189 -5.848) 7.818 7.335 ( 0.000 2.486 1.120) 2.727 7.489 ( 0.000 -2.676 -1.311) 2.979 7.553 ( 0.000 -1.165 -7.579) 7.668 7.706 ( 0.000 -4.819 -3.538) 5.978 7.934 ( 0.000 8.575 17.596) 19.574 8.044 ( 0.000 16.241 3.817) 16.683 8.290 ( 0.000 10.651 -3.700) 11.275 8.432 ( 0.000 3.211 -3.368) 4.654 8.555 ( 0.000 4.790 2.129) 5.242 8.686 ( 0.000 19.479 -5.299) 20.187 8.750 ( 0.000 9.227 9.979) 13.591 8.820 ( 0.000 6.079 5.721) 8.348 8.997 ( 0.000 -8.052 -2.808) 8.528 9.173 ( 0.000 9.919 8.408) 13.003 9.185 ( 0.000 2.320 -8.756) 9.058 9.734 ( 0.000 -0.639 -6.489) 6.520 9.799 ( 0.000 12.084 7.201) 14.067 9.968 ( 0.000 -0.462 0.372) 0.593 10.166 ( 0.000 8.942 8.592) 12.401 10.285 ( 0.000 -0.178 3.098) 3.103 10.402 ( 0.000 3.907 0.144) 3.910 10.480 ( 0.000 21.310 -2.655) 21.474 10.860 ( 0.000 15.729 0.700) 15.745 11.122 ( 0.000 17.582 11.137) 20.812 11.130 ( 0.000 21.126 0.337) 21.128 11.252 ( 0.000 8.039 -11.519) 14.047 11.467 ( 0.000 23.033 -1.416) 23.076 11.778 ( 0.000 8.604 -6.634) 10.864 11.846 ( 0.000 8.012 -3.871) 8.898 11.855 ( 0.000 7.162 -8.954) 11.466 11.931 ( 0.000 18.317 -1.484) 18.377 12.198 ( 0.000 14.923 -2.130) 15.074 12.387 ( 0.000 -1.432 3.158) 3.467 12.573 ( 0.000 -15.765 5.038) 16.550 12.631 ( 0.000 -2.728 6.843) 7.367 12.769 ( 0.000 5.322 -2.588) 5.918 13.001 ( 0.000 -12.642 -4.843) 13.538 13.092 ( 0.000 -13.671 1.236) 13.727 13.194 ( 0.000 -2.044 -0.973) 2.263 13.452 ( 0.000 -12.290 -1.171) 12.346 14.092 ( 0.000 12.405 -4.041) 13.047 14.423 ( 0.000 8.322 8.516) 11.907 14.476 ( 0.000 3.940 -7.646) 8.601 14.751 ( 0.000 -11.262 -4.409) 12.094 14.918 ( 0.000 10.201 2.076) 10.410 15.148 ( 0.000 -4.942 2.250) 5.430 15.394 ( 0.000 4.949 -12.558) 13.498 15.817 ( 0.000 -20.974 -0.361) 20.977 16.346 ( 0.000 -8.446 -7.736) 11.454 16.429 ( 0.000 2.866 -21.081) 21.275 16.728 ( 0.000 -12.209 -4.092) 12.877 16.886 ( 0.000 3.924 17.751) 18.180 16.965 ( 0.000 -8.360 -8.158) 11.681 17.375 ( 0.000 -2.412 12.840) 13.064 17.584 ( 0.000 -12.103 8.557) 14.822 17.616 ( 0.000 -7.277 8.260) 11.008 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 10.960 18.651 4.731) 22.144 1.759 ( 12.024 13.148 12.705) 21.883 1.947 ( -2.747 4.356 6.124) 8.001 2.141 ( -2.014 0.038 0.856) 2.189 2.168 ( -0.187 -0.059 3.059) 3.065 2.322 ( -2.462 3.649 0.592) 4.442 2.375 ( -2.697 -0.868 -0.887) 2.969 2.489 ( -3.097 -0.936 1.046) 3.400 2.562 ( -0.367 -0.792 -2.586) 2.729 2.607 ( -2.334 -3.433 1.783) 4.519 2.677 ( -0.526 -2.695 -0.009) 2.745 2.762 ( 1.646 -6.810 1.278) 7.122 2.809 ( -1.199 -5.616 2.744) 6.365 2.953 ( 4.190 -3.650 -0.600) 5.589 3.011 ( -4.603 -6.405 4.983) 9.330 3.132 ( -3.919 2.625 -3.479) 5.861 3.222 ( -3.856 2.536 -1.203) 4.769 3.254 ( -2.786 7.155 -0.756) 7.716 3.366 ( 4.904 6.596 -3.974) 9.129 3.412 ( 2.686 13.456 1.325) 13.786 3.476 ( 3.388 3.189 -1.680) 4.947 3.565 ( 1.655 9.309 1.751) 9.616 3.657 ( 1.087 -1.110 -1.763) 2.350 3.740 ( -1.015 -2.032 1.904) 2.964 3.790 ( 7.319 -5.825 -3.124) 9.862 3.903 ( -10.233 1.951 3.755) 11.073 3.917 ( 2.370 0.132 2.093) 3.165 3.998 ( -4.675 10.548 5.201) 12.655 4.141 ( -8.757 -0.780 -0.941) 8.841 4.271 ( -11.445 -5.352 -0.469) 12.643 4.479 ( 6.185 4.286 -0.181) 7.526 4.669 ( 14.303 4.412 1.141) 15.011 4.763 ( -3.068 6.202 0.970) 6.987 4.864 ( 12.494 -1.631 -1.491) 12.688 5.049 ( 0.199 2.770 -1.938) 3.387 5.063 ( -0.043 6.144 -0.947) 6.217 5.103 ( 0.862 7.558 -0.692) 7.639 5.202 ( 2.404 0.746 -1.592) 2.978 5.224 ( -8.267 2.508 -0.407) 8.649 5.378 ( -1.170 2.864 1.610) 3.488 5.412 ( -2.953 2.578 0.062) 3.920 5.439 ( -1.044 2.501 3.849) 4.707 5.632 ( 6.609 -3.159 1.471) 7.471 5.839 ( -2.059 -12.113 0.557) 12.300 6.128 ( 0.469 21.176 2.055) 21.280 6.181 ( -1.765 22.960 3.884) 23.353 6.406 ( -0.485 19.950 -0.313) 19.958 6.449 ( -1.541 12.041 0.779) 12.164 6.953 ( 1.261 3.927 -14.165) 14.753 7.028 ( -1.240 0.909 -6.442) 6.622 7.176 ( 1.960 -2.878 -3.356) 4.836 7.245 ( -0.087 -4.588 -2.837) 5.395 7.348 ( 0.628 0.724 1.300) 1.615 7.423 ( -3.973 -0.262 -0.965) 4.097 7.596 ( 2.328 -4.618 -4.686) 6.979 7.687 ( -1.904 -5.348 -2.989) 6.415 7.864 ( -1.136 12.207 8.793) 15.087 8.134 ( 7.424 13.054 0.769) 15.037 8.269 ( -13.097 8.604 -7.199) 17.245 8.350 ( 4.389 10.575 -2.534) 11.727 8.542 ( -7.527 10.688 -0.543) 13.084 8.646 ( -5.516 13.088 5.746) 15.322 8.799 ( 0.304 0.795 2.981) 3.100 8.877 ( 17.267 11.456 8.061) 22.234 8.990 ( -2.405 -2.275 -3.903) 5.118 9.154 ( 2.400 9.098 -1.761) 9.573 9.278 ( 5.572 4.078 4.798) 8.408 9.744 ( -8.203 6.824 1.000) 10.717 9.886 ( 6.255 3.866 0.492) 7.370 10.067 ( -2.684 10.566 7.905) 13.466 10.210 ( 16.367 4.192 3.023) 17.163 10.365 ( 15.645 -7.806 -3.208) 17.776 10.502 ( 5.646 9.977 -4.812) 12.433 10.569 ( 7.996 18.869 2.606) 20.658 10.821 ( -4.276 12.481 -0.253) 13.196 10.983 ( -5.062 19.944 4.659) 21.098 11.106 ( -9.696 13.705 -4.275) 17.324 11.303 ( 4.951 12.376 -4.076) 13.939 11.469 ( -5.834 21.529 -3.219) 22.537 11.586 ( -12.106 4.328 -2.923) 13.185 11.782 ( -0.694 8.898 -3.320) 9.522 11.859 ( -2.020 15.385 -4.122) 16.055 11.985 ( 0.740 9.396 1.354) 9.522 12.081 ( -6.979 10.992 2.570) 13.272 12.439 ( 2.434 0.943 -1.681) 3.105 12.525 ( -2.896 -7.622 -0.575) 8.174 12.629 ( 0.240 -4.748 4.832) 6.779 12.729 ( -3.515 4.580 -1.066) 5.871 12.999 ( 0.762 -13.830 -3.237) 14.224 13.071 ( -1.735 -14.376 0.409) 14.486 13.288 ( 6.506 -4.018 -0.031) 7.646 13.441 ( -1.168 -12.420 -0.986) 12.514 14.071 ( -1.119 11.783 -3.950) 12.478 14.243 ( -10.037 6.046 -0.716) 11.739 14.589 ( 5.188 7.330 1.927) 9.185 14.729 ( -1.904 -3.137 -0.440) 3.695 14.938 ( 1.901 4.819 -1.310) 5.344 15.074 ( -4.543 -3.575 -2.998) 6.512 15.567 ( 12.243 1.947 -7.833) 14.664 15.821 ( -0.120 -18.582 -1.106) 18.615 16.288 ( -3.616 -9.475 -8.287) 13.097 16.369 ( -5.381 6.248 -16.407) 18.362 16.779 ( 4.306 -7.490 -2.672) 9.043 16.949 ( -1.938 -7.624 -6.600) 10.268 16.990 ( 8.794 -1.970 12.069) 15.062 17.330 ( -4.612 -3.207 9.713) 11.221 17.562 ( -1.006 -10.886 11.049) 15.544 17.604 ( -1.408 -8.800 8.892) 12.590 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -10.698 13.253 5.261) 17.826 1.806 ( 10.698 13.253 5.261) 17.826 2.032 ( -11.232 5.167 3.621) 12.883 2.032 ( 11.232 5.167 3.621) 12.883 2.198 ( -4.548 2.002 3.599) 6.136 2.198 ( 4.548 2.002 3.599) 6.136 2.395 ( -4.297 -2.378 -3.274) 5.902 2.395 ( 4.297 -2.378 -3.274) 5.902 2.567 ( -1.466 -0.742 -1.890) 2.504 2.567 ( 1.466 -0.742 -1.890) 2.504 2.740 ( -3.513 -5.697 4.192) 7.897 2.740 ( 3.513 -5.697 4.192) 7.897 2.880 ( -7.382 -6.270 5.965) 11.375 2.880 ( 7.382 -6.270 5.965) 11.375 3.042 ( -4.505 -5.669 -2.660) 7.715 3.042 ( 4.505 -5.669 -2.660) 7.715 3.197 ( -1.758 7.799 -0.122) 7.996 3.197 ( 1.758 7.799 -0.122) 7.996 3.453 ( -2.086 7.626 -4.263) 8.983 3.453 ( 2.086 7.626 -4.263) 8.983 3.536 ( -4.652 2.108 2.555) 5.711 3.536 ( 4.652 2.108 2.555) 5.711 3.673 ( -4.745 10.521 4.486) 12.383 3.673 ( 4.745 10.521 4.486) 12.383 3.895 ( -6.945 -0.393 -2.792) 7.495 3.895 ( 6.945 -0.393 -2.792) 7.495 3.933 ( -1.242 3.253 0.546) 3.525 3.933 ( 1.242 3.253 0.546) 3.525 4.065 ( -7.103 -5.644 0.811) 9.109 4.065 ( 7.103 -5.644 0.811) 9.109 4.622 ( -7.216 6.822 0.163) 9.931 4.622 ( 7.216 6.822 0.163) 9.931 4.976 ( -11.995 2.001 -1.334) 12.234 4.976 ( 11.995 2.001 -1.334) 12.234 5.049 ( -2.676 2.808 -1.540) 4.173 5.049 ( 2.676 2.808 -1.540) 4.173 5.082 ( -2.905 3.660 0.446) 4.694 5.082 ( 2.905 3.660 0.446) 4.694 5.298 ( -5.835 0.880 -1.749) 6.155 5.298 ( 5.835 0.880 -1.749) 6.155 5.405 ( -1.677 3.737 3.937) 5.681 5.405 ( 1.677 3.737 3.937) 5.681 5.761 ( -5.453 -8.203 0.604) 9.869 5.761 ( 5.453 -8.203 0.604) 9.869 6.147 ( -1.389 21.428 3.765) 21.801 6.147 ( 1.389 21.428 3.765) 21.801 6.413 ( -1.395 16.629 -0.173) 16.689 6.413 ( 1.395 16.629 -0.173) 16.689 6.991 ( -2.198 1.860 -8.976) 9.427 6.991 ( 2.198 1.860 -8.976) 9.427 7.225 ( -2.218 -3.870 -2.669) 5.198 7.225 ( 2.218 -3.870 -2.669) 5.198 7.362 ( -1.747 -0.532 2.784) 3.329 7.362 ( 1.747 -0.532 2.784) 3.329 7.641 ( -2.325 -5.386 -3.004) 6.591 7.641 ( 2.325 -5.386 -3.004) 6.591 7.981 ( -11.691 13.009 -4.026) 17.948 7.981 ( 11.691 13.009 -4.026) 17.948 8.319 ( -8.765 4.570 -1.530) 10.003 8.319 ( 8.765 4.570 -1.530) 10.003 8.510 ( -6.353 21.154 3.865) 22.423 8.510 ( 6.353 21.154 3.865) 22.423 8.871 ( -5.521 -1.633 -1.845) 6.046 8.871 ( 5.521 -1.633 -1.845) 6.046 9.181 ( -4.255 9.485 1.086) 10.452 9.181 ( 4.255 9.485 1.086) 10.452 9.458 ( -15.378 6.091 7.829) 18.300 9.458 ( 15.378 6.091 7.829) 18.300 9.976 ( -3.779 6.625 4.658) 8.938 9.976 ( 3.779 6.625 4.658) 8.938 10.567 ( -6.594 19.353 -8.311) 22.071 10.567 ( 6.594 19.353 -8.311) 22.071 10.673 ( -6.771 -6.122 3.293) 9.704 10.673 ( 6.771 -6.122 3.293) 9.704 10.783 ( -15.692 16.360 -2.960) 22.861 10.783 ( 15.692 16.360 -2.960) 22.861 11.106 ( -19.024 9.013 -3.602) 21.357 11.106 ( 19.024 9.013 -3.602) 21.357 11.443 ( -7.646 12.826 0.697) 14.948 11.443 ( 7.646 12.826 0.697) 14.948 11.800 ( -2.925 13.052 -0.122) 13.376 11.800 ( 2.925 13.052 -0.122) 13.376 11.995 ( -1.574 7.962 2.518) 8.498 11.995 ( 1.574 7.962 2.518) 8.498 12.481 ( -2.064 0.443 -5.196) 5.609 12.481 ( 2.064 0.443 -5.196) 5.609 12.657 ( -2.748 -0.443 2.517) 3.752 12.657 ( 2.748 -0.443 2.517) 3.752 13.031 ( -2.027 -14.810 -1.417) 15.015 13.031 ( 2.027 -14.810 -1.417) 15.015 13.396 ( -3.639 -9.491 0.052) 10.164 13.396 ( 3.639 -9.491 0.052) 10.164 14.092 ( -4.038 9.580 -2.897) 10.792 14.092 ( 4.038 9.580 -2.897) 10.792 14.676 ( -3.390 4.936 2.702) 6.570 14.676 ( 3.390 4.936 2.702) 6.570 14.992 ( -3.372 -0.922 -4.049) 5.349 14.992 ( 3.372 -0.922 -4.049) 5.349 15.771 ( -6.120 -8.148 -4.240) 11.037 15.771 ( 6.120 -8.148 -4.240) 11.037 16.269 ( -2.673 -0.922 -10.917) 11.277 16.269 ( 2.673 -0.922 -10.917) 11.277 16.877 ( -4.749 -5.324 -3.241) 7.836 16.877 ( 4.749 -5.324 -3.241) 7.836 17.186 ( -9.140 -5.138 7.643) 12.975 17.186 ( 9.140 -5.138 7.643) 12.975 17.569 ( -1.516 -9.792 11.160) 14.925 17.569 ( 1.516 -9.792 11.160) 14.925 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 14.851 3.751) 15.317 1.927 ( 0.000 5.718 4.291) 7.149 1.990 ( 0.000 5.673 5.610) 7.979 2.133 ( 0.000 -3.578 3.347) 4.899 2.195 ( 0.000 3.363 4.983) 6.012 2.314 ( 0.000 -5.293 1.027) 5.392 2.379 ( 0.000 1.043 1.906) 2.173 2.460 ( 0.000 -7.362 1.669) 7.549 2.520 ( 0.000 -4.605 7.455) 8.763 2.547 ( 0.000 -3.355 4.675) 5.754 2.568 ( 0.000 3.194 -0.059) 3.194 2.669 ( 0.000 -6.760 0.618) 6.789 2.871 ( 0.000 0.756 -1.434) 1.621 2.880 ( 0.000 0.456 0.757) 0.884 2.956 ( 0.000 1.538 -0.062) 1.540 3.082 ( 0.000 -8.835 0.412) 8.845 3.370 ( 0.000 3.126 -7.268) 7.912 3.372 ( 0.000 3.300 -7.302) 8.013 3.459 ( 0.000 5.330 -2.443) 5.863 3.505 ( 0.000 4.066 -3.124) 5.127 3.531 ( 0.000 2.823 -0.609) 2.887 3.542 ( 0.000 -3.501 -3.840) 5.196 3.622 ( 0.000 1.888 -2.099) 2.824 3.692 ( 0.000 -3.345 -0.591) 3.397 3.730 ( 0.000 -2.956 2.728) 4.022 3.755 ( 0.000 -4.608 4.617) 6.523 4.251 ( 0.000 2.610 4.243) 4.982 4.286 ( 0.000 21.096 0.564) 21.103 4.321 ( 0.000 -3.565 6.173) 7.128 4.433 ( 0.000 0.252 -4.018) 4.026 4.476 ( 0.000 5.412 2.275) 5.871 4.495 ( 0.000 9.762 3.750) 10.458 4.587 ( 0.000 -4.405 0.069) 4.406 4.782 ( 0.000 -10.780 4.055) 11.518 5.086 ( 0.000 1.483 -2.727) 3.104 5.114 ( 0.000 -1.063 -3.715) 3.864 5.205 ( 0.000 5.467 -1.952) 5.805 5.241 ( 0.000 5.233 -0.446) 5.252 5.364 ( 0.000 -3.589 0.933) 3.708 5.399 ( 0.000 -1.415 -1.040) 1.756 5.447 ( 0.000 3.807 2.783) 4.715 5.513 ( 0.000 -3.144 2.048) 3.752 5.517 ( 0.000 2.072 0.418) 2.114 5.603 ( 0.000 -9.328 1.786) 9.497 6.469 ( 0.000 12.985 -2.087) 13.152 6.592 ( 0.000 1.217 -0.671) 1.389 6.606 ( 0.000 13.748 3.643) 14.222 6.684 ( 0.000 4.871 1.148) 5.004 7.066 ( 0.000 2.766 -7.015) 7.541 7.094 ( 0.000 7.889 -11.013) 13.547 7.129 ( 0.000 -2.131 -4.673) 5.136 7.149 ( 0.000 -2.472 -5.494) 6.025 7.333 ( 0.000 -0.267 4.841) 4.848 7.445 ( 0.000 -8.324 -1.083) 8.394 7.485 ( 0.000 2.704 -4.052) 4.871 7.579 ( 0.000 -6.537 -4.108) 7.721 8.091 ( 0.000 6.419 10.539) 12.340 8.161 ( 0.000 -0.336 3.295) 3.312 8.427 ( 0.000 3.440 -2.680) 4.360 8.460 ( 0.000 -0.204 -3.876) 3.881 8.677 ( 0.000 6.841 2.165) 7.176 8.807 ( 0.000 -5.298 4.557) 6.988 8.889 ( 0.000 0.203 7.344) 7.347 8.895 ( 0.000 1.234 8.982) 9.066 9.011 ( 0.000 11.648 -3.434) 12.144 9.171 ( 0.000 -4.635 -6.956) 8.359 9.488 ( 0.000 19.765 1.180) 19.800 9.788 ( 0.000 4.448 -3.046) 5.391 9.825 ( 0.000 -11.030 1.601) 11.145 9.922 ( 0.000 -3.524 3.262) 4.802 10.256 ( 0.000 9.710 -3.803) 10.428 10.423 ( 0.000 -4.009 -5.485) 6.794 10.479 ( 0.000 11.247 12.615) 16.901 10.621 ( 0.000 -2.571 10.214) 10.532 11.224 ( 0.000 14.870 -6.239) 16.126 11.352 ( 0.000 0.485 -10.473) 10.484 11.469 ( 0.000 15.879 9.260) 18.382 11.510 ( 0.000 16.084 1.710) 16.175 11.707 ( 0.000 3.400 2.460) 4.197 11.853 ( 0.000 -4.527 -10.172) 11.134 12.006 ( 0.000 6.961 -7.046) 9.904 12.037 ( 0.000 6.916 -10.953) 12.953 12.291 ( 0.000 -4.389 3.680) 5.728 12.322 ( 0.000 -7.008 2.373) 7.399 12.361 ( 0.000 19.315 3.028) 19.551 12.408 ( 0.000 5.898 0.079) 5.899 12.634 ( 0.000 -6.775 -2.989) 7.405 12.731 ( 0.000 3.265 1.932) 3.794 12.773 ( 0.000 -11.473 4.912) 12.480 12.977 ( 0.000 8.836 -2.506) 9.185 13.080 ( 0.000 -12.185 2.656) 12.471 13.195 ( 0.000 -13.067 -3.079) 13.425 14.285 ( 0.000 7.521 -7.313) 10.490 14.447 ( 0.000 -8.926 -7.273) 11.514 14.626 ( 0.000 2.167 -7.084) 7.408 14.628 ( 0.000 7.481 -1.638) 7.658 15.010 ( 0.000 7.094 2.471) 7.512 15.312 ( 0.000 16.156 4.324) 16.725 15.348 ( 0.000 -20.879 2.425) 21.020 15.506 ( 0.000 -2.060 -2.442) 3.195 16.165 ( 0.000 -5.565 -10.295) 11.703 16.262 ( 0.000 -13.037 -12.065) 17.763 16.712 ( 0.000 5.609 -13.659) 14.766 16.828 ( 0.000 -6.094 -12.207) 13.644 17.049 ( 0.000 11.799 15.513) 19.490 17.302 ( 0.000 -11.821 13.331) 17.817 17.394 ( 0.000 0.101 10.904) 10.904 17.476 ( 0.000 -6.453 10.556) 12.372 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 8.586 12.296 1.540) 15.076 1.973 ( 3.914 4.798 5.062) 7.998 2.010 ( 1.456 4.912 5.448) 7.478 2.121 ( -1.136 -2.909 3.143) 4.430 2.191 ( 0.293 3.472 4.760) 5.899 2.292 ( 0.533 -3.819 1.251) 4.054 2.437 ( 1.705 3.410 -0.342) 3.828 2.490 ( -5.545 2.352 0.539) 6.047 2.528 ( 1.371 -5.754 5.104) 7.813 2.536 ( 2.537 -4.151 1.748) 5.170 2.575 ( 1.572 -3.017 1.487) 3.713 2.634 ( -0.059 -5.928 4.225) 7.280 2.765 ( -5.431 3.632 -0.479) 6.551 2.863 ( -2.383 -5.239 0.864) 5.820 2.914 ( -4.734 -0.613 2.837) 5.553 2.999 ( -6.459 -7.995 0.554) 10.293 3.358 ( 0.448 4.282 -4.484) 6.216 3.381 ( -1.441 2.634 -5.071) 5.893 3.451 ( 0.575 5.299 -3.254) 6.245 3.524 ( 1.837 5.415 -1.208) 5.844 3.549 ( -0.935 2.226 -1.832) 3.030 3.587 ( -2.557 -3.964 0.679) 4.766 3.665 ( 3.697 -1.487 -2.450) 4.678 3.682 ( 2.273 -3.462 -3.298) 5.294 3.714 ( 5.195 -1.103 1.044) 5.413 3.793 ( 1.684 -6.571 1.553) 6.959 4.123 ( -9.920 1.856 -1.273) 10.173 4.165 ( -10.809 -2.608 1.036) 11.167 4.284 ( 1.203 19.919 4.207) 20.394 4.382 ( -2.470 21.335 5.752) 22.235 4.508 ( 6.359 -3.015 1.195) 7.138 4.721 ( 12.259 2.037 0.474) 12.436 4.741 ( 0.441 -9.542 2.510) 9.876 4.806 ( 10.879 -4.810 -0.060) 11.895 5.093 ( 0.328 2.148 -3.353) 3.995 5.141 ( 1.080 -2.598 -4.110) 4.981 5.180 ( -2.168 5.594 -0.865) 6.061 5.218 ( -3.225 5.260 0.331) 6.179 5.263 ( -5.704 -1.393 0.673) 5.910 5.360 ( -4.644 -6.420 -0.446) 7.936 5.455 ( 0.919 4.494 2.625) 5.285 5.499 ( -0.071 2.447 0.923) 2.616 5.556 ( 1.899 -3.542 2.194) 4.579 5.609 ( 0.127 -8.580 1.539) 8.718 6.475 ( 0.798 13.278 -0.358) 13.307 6.564 ( -2.977 13.163 3.144) 13.857 6.605 ( 0.800 1.617 0.056) 1.805 6.660 ( -1.879 4.052 1.762) 4.801 7.059 ( -1.036 5.591 -8.184) 9.966 7.078 ( 0.137 3.603 -7.319) 8.159 7.137 ( 0.070 -0.946 -3.873) 3.988 7.167 ( 0.918 -2.953 -4.519) 5.476 7.335 ( 0.413 0.634 4.219) 4.287 7.438 ( -2.080 0.110 -2.412) 3.187 7.464 ( -0.209 -5.663 -0.941) 5.744 7.550 ( -2.582 -7.191 -3.197) 8.282 8.079 ( 1.641 9.107 4.412) 10.252 8.198 ( 3.996 -2.539 0.552) 4.766 8.396 ( -6.621 4.596 -5.051) 9.512 8.445 ( -2.713 -0.045 -1.939) 3.335 8.732 ( -1.803 6.505 -0.451) 6.765 8.777 ( 3.119 1.474 3.374) 4.825 8.801 ( -0.799 1.524 2.633) 3.146 8.890 ( -0.625 -5.043 -4.755) 6.959 9.182 ( 12.526 10.370 8.299) 18.257 9.268 ( 8.393 0.443 4.082) 9.343 9.475 ( -1.344 15.835 1.833) 15.997 9.737 ( -6.731 -8.699 0.508) 11.011 9.953 ( 11.013 6.876 2.950) 13.315 10.133 ( 15.584 -9.790 2.627) 18.591 10.340 ( -8.222 13.444 9.325) 18.311 10.399 ( 15.435 10.908 -6.059) 19.848 10.517 ( 5.401 -4.583 -2.253) 7.434 10.637 ( 2.073 -9.075 4.014) 10.137 11.171 ( -5.094 15.011 -7.759) 17.649 11.268 ( -10.636 4.108 -11.225) 16.000 11.447 ( -1.996 19.742 4.708) 20.394 11.526 ( 1.238 8.395 5.197) 9.951 11.653 ( -6.981 3.617 1.041) 7.931 11.752 ( -7.999 2.049 -3.705) 9.050 11.963 ( 0.419 8.637 -4.151) 9.592 12.054 ( 0.573 2.397 -5.031) 5.603 12.195 ( -7.513 2.509 2.888) 8.430 12.241 ( -9.085 2.413 5.685) 10.985 12.381 ( 2.955 6.060 -0.826) 6.793 12.419 ( 1.676 3.594 0.275) 3.975 12.652 ( 1.294 -13.888 -4.348) 14.610 12.740 ( -1.060 2.581 1.660) 3.247 12.746 ( 1.102 -6.753 0.233) 6.846 12.923 ( -4.109 9.586 -2.237) 10.667 13.107 ( 1.119 -15.084 1.746) 15.226 13.175 ( -1.746 -13.525 -2.517) 13.867 14.289 ( 1.427 11.518 -6.521) 13.313 14.449 ( -2.818 8.336 -7.251) 11.402 14.564 ( 0.575 -7.107 -4.321) 8.337 14.666 ( -0.556 -3.393 -6.174) 7.066 15.046 ( 3.430 10.647 3.441) 11.703 15.236 ( -4.891 15.696 3.325) 16.774 15.400 ( 3.475 -20.963 3.399) 21.519 15.525 ( -0.220 -10.060 -0.561) 10.078 16.211 ( 6.889 4.574 -11.404) 14.087 16.399 ( 8.964 -8.831 -14.258) 19.016 16.651 ( -4.912 2.900 -12.165) 13.436 16.794 ( -3.732 -8.476 -13.291) 16.199 17.096 ( 4.295 9.910 15.062) 18.534 17.316 ( 0.269 -6.442 13.657) 15.102 17.339 ( -3.806 -2.963 11.935) 12.873 17.441 ( -3.058 -7.529 11.561) 14.131 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.866 6.617 4.919) 8.454 2.012 ( 1.866 6.617 4.919) 8.454 2.075 ( -4.206 -0.466 2.289) 4.811 2.075 ( 4.206 -0.466 2.289) 4.811 2.275 ( -9.268 6.209 1.578) 11.266 2.275 ( 9.268 6.209 1.578) 11.266 2.373 ( -6.846 -1.689 -0.993) 7.121 2.373 ( 6.846 -1.689 -0.993) 7.121 2.564 ( -2.510 0.748 2.201) 3.421 2.564 ( 2.510 0.748 2.201) 3.421 2.642 ( -1.112 -5.398 2.132) 5.910 2.642 ( 1.112 -5.398 2.132) 5.910 2.768 ( -7.222 -0.414 4.646) 8.597 2.768 ( 7.222 -0.414 4.646) 8.597 2.878 ( -4.390 -8.698 1.909) 9.928 2.878 ( 4.390 -8.698 1.909) 9.928 3.368 ( -0.890 7.605 -3.564) 8.446 3.368 ( 0.890 7.605 -3.564) 8.446 3.471 ( -2.972 -2.722 -1.894) 4.454 3.471 ( 2.972 -2.722 -1.894) 4.454 3.566 ( -1.552 3.990 -0.143) 4.284 3.566 ( 1.552 3.990 -0.143) 4.284 3.688 ( -1.101 -6.834 -0.402) 6.934 3.688 ( 1.101 -6.834 -0.402) 6.934 3.894 ( -6.080 2.042 -2.762) 6.983 3.894 ( 6.080 2.042 -2.762) 6.983 3.951 ( -6.024 -3.711 -1.452) 7.222 3.951 ( 6.024 -3.711 -1.452) 7.222 4.331 ( -2.730 23.443 5.370) 24.205 4.331 ( 2.730 23.443 5.370) 24.205 4.647 ( -6.478 -6.664 2.326) 9.580 4.647 ( 6.478 -6.664 2.326) 9.580 4.986 ( -11.543 1.284 -1.277) 11.684 4.986 ( 11.543 1.284 -1.277) 11.684 5.043 ( -8.894 -3.203 -2.679) 9.826 5.043 ( 8.894 -3.203 -2.679) 9.826 5.160 ( -0.624 5.009 -0.525) 5.075 5.160 ( 0.624 5.009 -0.525) 5.075 5.265 ( -3.563 -4.724 0.407) 5.931 5.265 ( 3.563 -4.724 0.407) 5.931 5.483 ( -1.453 4.671 2.049) 5.304 5.483 ( 1.453 4.671 2.049) 5.304 5.594 ( -1.609 -7.182 1.519) 7.515 5.594 ( 1.609 -7.182 1.519) 7.515 6.507 ( -2.312 13.441 2.242) 13.821 6.507 ( 2.312 13.441 2.242) 13.821 6.626 ( -1.312 2.463 1.379) 3.113 6.626 ( 1.312 2.463 1.379) 3.113 7.063 ( -1.207 5.396 -6.671) 8.664 7.063 ( 1.207 5.396 -6.671) 8.664 7.157 ( -1.587 -3.560 -3.060) 4.955 7.157 ( 1.587 -3.560 -3.060) 4.955 7.371 ( -3.160 2.889 1.333) 4.484 7.371 ( 3.160 2.889 1.333) 4.484 7.494 ( -2.473 -8.442 -2.038) 9.029 7.494 ( 2.473 -8.442 -2.038) 9.029 8.200 ( -9.543 9.062 -2.821) 13.459 8.200 ( 9.543 9.062 -2.821) 13.459 8.322 ( -7.517 -3.170 -1.873) 8.370 8.322 ( 7.517 -3.170 -1.873) 8.370 8.776 ( -3.399 5.974 0.085) 6.874 8.776 ( 3.399 5.974 0.085) 6.874 8.837 ( -3.818 -1.849 -1.694) 4.568 8.837 ( 3.818 -1.849 -1.694) 4.568 9.396 ( -5.416 10.625 2.899) 12.273 9.396 ( 5.416 10.625 2.899) 12.273 9.525 ( -13.483 -1.393 6.767) 15.151 9.525 ( 13.483 -1.393 6.767) 15.151 10.143 ( -8.622 12.714 7.672) 17.172 10.143 ( 8.622 12.714 7.672) 17.172 10.434 ( -10.829 -14.892 5.065) 19.097 10.434 ( 10.829 -14.892 5.065) 19.097 10.849 ( -14.798 8.823 -11.512) 20.720 10.849 ( 14.798 8.823 -11.512) 20.720 10.945 ( -8.738 -0.517 -11.587) 14.521 10.945 ( 8.738 -0.517 -11.587) 14.521 11.440 ( -3.335 20.440 4.937) 21.290 11.440 ( 3.335 20.440 4.937) 21.290 11.635 ( -4.280 2.883 6.253) 8.107 11.635 ( 4.280 2.883 6.253) 8.107 12.045 ( -6.787 6.339 3.008) 9.762 12.045 ( 6.787 6.339 3.008) 9.762 12.090 ( -3.210 2.286 -3.107) 5.019 12.090 ( 3.210 2.286 -3.107) 5.019 12.430 ( -1.011 2.672 -1.159) 3.083 12.430 ( 1.011 2.672 -1.159) 3.083 12.689 ( -2.368 -15.661 -2.606) 16.052 12.689 ( 2.368 -15.661 -2.606) 16.052 12.827 ( -4.977 11.968 -0.825) 12.988 12.827 ( 4.977 11.968 -0.825) 12.988 13.133 ( -1.913 -16.145 -0.785) 16.277 13.133 ( 1.913 -16.145 -0.785) 16.277 14.355 ( -4.677 15.430 -6.011) 17.208 14.355 ( 4.677 15.430 -6.011) 17.208 14.621 ( -3.304 -10.159 -6.374) 12.440 14.621 ( 3.304 -10.159 -6.374) 12.440 15.135 ( -4.901 14.636 3.827) 15.902 15.135 ( 4.901 14.636 3.827) 15.902 15.478 ( -3.705 -18.651 2.009) 19.121 15.478 ( 3.705 -18.651 2.009) 19.121 16.403 ( -9.189 12.209 -14.074) 20.774 16.403 ( 9.189 12.209 -14.074) 20.774 16.673 ( -7.295 -13.902 -13.030) 20.403 16.673 ( 7.295 -13.902 -13.030) 20.403 17.208 ( -6.314 6.115 14.381) 16.854 17.208 ( 6.314 6.115 14.381) 16.854 17.372 ( -3.190 -9.834 12.914) 16.543 17.372 ( 3.190 -9.834 12.914) 16.543 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 0.000 23.113) 23.113 1.265 ( 0.000 0.000 27.994) 27.994 1.889 ( 0.000 0.000 10.261) 10.261 1.930 ( 0.000 0.000 1.217) 1.217 2.000 ( 0.000 0.000 43.200) 43.200 2.090 ( 0.000 0.000 9.508) 9.508 2.248 ( 0.000 0.000 5.272) 5.272 2.292 ( 0.000 0.000 -7.121) 7.121 2.353 ( 0.000 0.000 3.823) 3.823 2.501 ( 0.000 0.000 -7.081) 7.081 2.598 ( 0.000 0.000 -2.400) 2.400 2.759 ( 0.000 0.000 -7.628) 7.628 2.828 ( 0.000 0.000 -9.447) 9.447 2.874 ( 0.000 0.000 -5.722) 5.722 2.924 ( 0.000 0.000 -9.027) 9.027 2.929 ( 0.000 0.000 0.829) 0.829 3.023 ( 0.000 0.000 0.428) 0.428 3.162 ( 0.000 0.000 1.030) 1.030 3.238 ( 0.000 0.000 -5.482) 5.482 3.238 ( 0.000 0.000 -8.074) 8.074 3.361 ( 0.000 0.000 -3.778) 3.778 3.586 ( 0.000 0.000 7.248) 7.248 3.682 ( 0.000 0.000 -2.252) 2.252 3.765 ( 0.000 0.000 5.221) 5.221 3.856 ( 0.000 0.000 7.510) 7.510 3.998 ( 0.000 0.000 -0.979) 0.979 4.040 ( 0.000 0.000 -2.346) 2.346 4.049 ( 0.000 0.000 3.809) 3.809 4.137 ( 0.000 0.000 -1.297) 1.297 4.142 ( 0.000 0.000 -1.190) 1.190 4.276 ( 0.000 0.000 -6.064) 6.064 4.287 ( 0.000 0.000 -2.637) 2.637 4.508 ( 0.000 0.000 -0.002) 0.002 4.511 ( 0.000 0.000 8.747) 8.747 4.587 ( 0.000 0.000 -0.846) 0.846 4.720 ( 0.000 0.000 -2.468) 2.468 4.750 ( 0.000 0.000 3.459) 3.459 4.832 ( 0.000 0.000 4.711) 4.711 4.971 ( 0.000 0.000 -4.049) 4.049 5.040 ( 0.000 0.000 -3.799) 3.799 5.366 ( 0.000 0.000 1.360) 1.360 5.382 ( 0.000 0.000 3.688) 3.688 5.496 ( 0.000 0.000 -6.629) 6.629 5.632 ( 0.000 0.000 6.579) 6.579 5.659 ( 0.000 0.000 -0.291) 0.291 5.674 ( 0.000 0.000 1.208) 1.208 5.684 ( 0.000 0.000 -9.227) 9.227 6.121 ( 0.000 0.000 -5.116) 5.116 6.356 ( 0.000 0.000 17.681) 17.681 6.823 ( 0.000 0.000 2.014) 2.014 6.911 ( 0.000 0.000 14.423) 14.423 6.982 ( 0.000 0.000 -1.980) 1.980 7.126 ( 0.000 0.000 -1.269) 1.269 7.203 ( 0.000 0.000 -5.865) 5.865 7.313 ( 0.000 0.000 -7.331) 7.331 7.571 ( 0.000 0.000 -9.463) 9.463 7.751 ( 0.000 0.000 -3.914) 3.914 7.794 ( 0.000 0.000 -8.968) 8.968 7.954 ( 0.000 0.000 8.150) 8.150 8.019 ( 0.000 0.000 -4.590) 4.590 8.216 ( 0.000 0.000 3.876) 3.876 8.276 ( 0.000 0.000 4.997) 4.997 8.670 ( 0.000 0.000 6.953) 6.953 8.679 ( 0.000 0.000 -11.073) 11.073 8.754 ( 0.000 0.000 4.621) 4.621 8.926 ( 0.000 0.000 9.361) 9.361 8.985 ( 0.000 0.000 -3.119) 3.119 9.084 ( 0.000 0.000 1.429) 1.429 9.212 ( 0.000 0.000 -0.590) 0.590 9.331 ( 0.000 0.000 -12.016) 12.016 9.995 ( 0.000 0.000 -2.265) 2.265 10.089 ( 0.000 0.000 -3.039) 3.039 10.207 ( 0.000 0.000 -9.217) 9.217 10.310 ( 0.000 0.000 -2.762) 2.762 10.431 ( 0.000 0.000 1.117) 1.117 10.603 ( 0.000 0.000 2.103) 2.103 10.730 ( 0.000 0.000 9.818) 9.818 10.769 ( 0.000 0.000 9.042) 9.042 11.099 ( 0.000 0.000 -16.755) 16.755 11.173 ( 0.000 0.000 -10.551) 10.551 11.202 ( 0.000 0.000 0.289) 0.289 11.340 ( 0.000 0.000 0.410) 0.410 11.489 ( 0.000 0.000 -4.328) 4.328 11.524 ( 0.000 0.000 -8.890) 8.890 12.637 ( 0.000 0.000 8.342) 8.342 12.672 ( 0.000 0.000 7.875) 7.875 12.812 ( 0.000 0.000 -0.855) 0.855 12.882 ( 0.000 0.000 -2.833) 2.833 13.044 ( 0.000 0.000 16.495) 16.495 13.414 ( 0.000 0.000 0.737) 0.737 13.466 ( 0.000 0.000 4.770) 4.770 13.899 ( 0.000 0.000 4.502) 4.502 13.905 ( 0.000 0.000 8.045) 8.045 14.168 ( 0.000 0.000 -3.218) 3.218 14.222 ( 0.000 0.000 -5.460) 5.460 14.732 ( 0.000 0.000 -22.502) 22.502 14.903 ( 0.000 0.000 1.206) 1.206 14.918 ( 0.000 0.000 -9.218) 9.218 15.525 ( 0.000 0.000 8.845) 8.845 15.909 ( 0.000 0.000 7.670) 7.670 16.328 ( 0.000 0.000 -9.654) 9.654 16.506 ( 0.000 0.000 -5.413) 5.413 17.126 ( 0.000 0.000 7.865) 7.865 17.267 ( 0.000 0.000 -1.506) 1.506 17.404 ( 0.000 0.000 2.534) 2.534 17.723 ( 0.000 0.000 -3.437) 3.437 17.992 ( 0.000 0.000 6.909) 6.909 18.119 ( 0.000 0.000 3.818) 3.818 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 7.614 0.000 20.826) 22.174 1.269 ( 4.899 0.000 26.538) 26.986 1.606 ( -14.822 0.000 11.741) 18.909 1.895 ( -16.178 0.000 11.311) 19.740 2.157 ( 9.179 0.000 -5.088) 10.495 2.238 ( 10.433 0.000 20.335) 22.855 2.252 ( 0.452 0.000 5.325) 5.344 2.323 ( 2.016 0.000 -6.134) 6.456 2.406 ( 9.417 0.000 10.473) 14.084 2.534 ( 0.872 0.000 -5.476) 5.545 2.572 ( 0.558 0.000 -4.671) 4.704 2.658 ( -3.361 0.000 -2.719) 4.323 2.774 ( -1.204 0.000 -4.857) 5.004 2.863 ( -5.901 0.000 2.701) 6.490 2.891 ( -3.006 0.000 -1.840) 3.524 3.008 ( 7.629 0.000 -6.798) 10.218 3.025 ( 1.520 0.000 0.535) 1.612 3.150 ( -2.585 0.000 -1.931) 3.227 3.211 ( -2.425 0.000 -7.374) 7.762 3.339 ( 6.880 0.000 -0.798) 6.926 3.414 ( 5.550 0.000 -4.626) 7.225 3.594 ( 1.044 0.000 7.232) 7.307 3.677 ( -3.371 0.000 -0.328) 3.386 3.754 ( -6.162 0.000 6.376) 8.867 3.839 ( 5.725 0.000 2.235) 6.146 3.870 ( -8.093 0.000 -0.591) 8.115 3.928 ( -21.104 0.000 14.893) 25.829 4.088 ( -3.651 0.000 -0.540) 3.690 4.112 ( -0.526 0.000 -0.168) 0.552 4.139 ( 5.951 0.000 -1.360) 6.105 4.148 ( -0.988 0.000 4.696) 4.798 4.290 ( 0.184 0.000 -3.462) 3.466 4.410 ( 3.126 0.000 -8.817) 9.355 4.579 ( -3.363 0.000 -0.358) 3.382 4.590 ( 0.811 0.000 -2.207) 2.351 4.697 ( -2.417 0.000 -2.883) 3.762 4.825 ( 5.209 0.000 1.407) 5.396 4.954 ( 0.002 0.000 -4.731) 4.731 5.010 ( 7.118 0.000 0.271) 7.123 5.095 ( 5.112 0.000 -3.149) 6.004 5.377 ( 0.632 0.000 3.496) 3.553 5.386 ( 2.182 0.000 2.137) 3.055 5.467 ( -1.854 0.000 -4.774) 5.122 5.529 ( -4.456 0.000 3.430) 5.623 5.644 ( -0.165 0.000 0.150) 0.223 5.698 ( 0.117 0.000 0.904) 0.912 5.838 ( 8.426 0.000 -5.071) 9.835 6.078 ( -3.649 0.000 -3.130) 4.808 6.432 ( 6.520 0.000 12.179) 13.814 6.698 ( -6.199 0.000 6.051) 8.663 6.985 ( 0.696 0.000 -1.380) 1.546 7.086 ( -3.100 0.000 -0.648) 3.167 7.114 ( 13.202 0.000 5.853) 14.442 7.236 ( 2.340 0.000 -6.482) 6.891 7.308 ( -0.686 0.000 -7.136) 7.169 7.516 ( -3.743 0.000 -5.569) 6.710 7.698 ( -8.484 0.000 -6.920) 10.948 7.818 ( 6.190 0.000 -2.939) 6.852 7.849 ( -9.446 0.000 12.222) 15.447 8.025 ( 0.481 0.000 -3.631) 3.662 8.165 ( -6.312 0.000 0.819) 6.365 8.189 ( -4.202 0.000 3.285) 5.334 8.637 ( 2.499 0.000 -7.140) 7.564 8.765 ( 6.655 0.000 4.671) 8.131 8.889 ( 5.787 0.000 -3.245) 6.635 8.982 ( 0.020 0.000 -1.465) 1.465 9.014 ( 6.151 0.000 6.539) 8.978 9.073 ( -0.799 0.000 0.918) 1.217 9.181 ( -2.986 0.000 -0.536) 3.034 9.274 ( -5.280 0.000 -3.297) 6.224 9.882 ( -3.650 0.000 0.612) 3.701 10.042 ( -0.836 0.000 1.927) 2.101 10.159 ( -8.004 0.000 -6.173) 10.108 10.424 ( -16.271 0.000 11.843) 20.125 10.467 ( 11.136 0.000 -5.233) 12.304 10.515 ( 10.090 0.000 -3.858) 10.802 10.701 ( 7.742 0.000 -1.777) 7.944 10.877 ( -1.377 0.000 2.513) 2.865 11.003 ( -7.753 0.000 -12.111) 14.380 11.117 ( -6.184 0.000 -11.167) 12.765 11.208 ( 0.929 0.000 0.096) 0.934 11.305 ( -2.651 0.000 -0.015) 2.651 11.506 ( 1.275 0.000 -3.998) 4.196 11.527 ( 0.245 0.000 -6.782) 6.786 12.694 ( 3.448 0.000 9.225) 9.848 12.801 ( 6.090 0.000 7.846) 9.932 12.823 ( 2.017 0.000 0.281) 2.036 12.908 ( 0.821 0.000 -1.170) 1.430 13.061 ( 5.485 0.000 7.300) 9.131 13.384 ( -3.433 0.000 -0.658) 3.496 13.522 ( 5.107 0.000 6.149) 7.993 13.802 ( -7.468 0.000 7.618) 10.668 13.937 ( 3.655 0.000 2.636) 4.506 14.130 ( -3.573 0.000 -2.653) 4.451 14.343 ( 9.255 0.000 -8.532) 12.588 14.692 ( -4.606 0.000 -23.248) 23.700 14.842 ( -3.467 0.000 -3.427) 4.875 14.887 ( -2.793 0.000 2.724) 3.901 15.588 ( 5.356 0.000 6.412) 8.355 15.832 ( -5.666 0.000 5.361) 7.800 16.444 ( 7.918 0.000 -8.435) 11.569 16.536 ( 2.340 0.000 -5.793) 6.248 17.104 ( -1.365 0.000 5.996) 6.149 17.199 ( -5.004 0.000 -0.989) 5.101 17.473 ( 4.840 0.000 2.312) 5.364 17.663 ( -4.584 0.000 0.525) 4.614 18.020 ( 2.106 0.000 6.060) 6.416 18.101 ( -1.540 0.000 4.831) 5.071 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -12.642 0.000 16.214) 20.560 1.322 ( 12.642 0.000 16.214) 20.560 1.520 ( -17.961 0.000 16.790) 24.587 1.520 ( 17.961 0.000 16.790) 24.587 2.273 ( -1.358 0.000 4.787) 4.976 2.273 ( 1.358 0.000 4.787) 4.976 2.294 ( -4.778 0.000 -10.353) 11.402 2.294 ( 4.778 0.000 -10.353) 11.402 2.513 ( -1.497 0.000 -8.296) 8.430 2.513 ( 1.497 0.000 -8.296) 8.430 2.715 ( -7.317 0.000 4.647) 8.668 2.715 ( 7.317 0.000 4.647) 8.668 2.751 ( -6.539 0.000 3.482) 7.408 2.751 ( 6.539 0.000 3.482) 7.408 2.944 ( -10.244 0.000 3.135) 10.713 2.944 ( 10.244 0.000 3.135) 10.713 3.138 ( -4.939 0.000 -6.956) 8.531 3.138 ( 4.939 0.000 -6.956) 8.531 3.274 ( -15.857 0.000 13.700) 20.955 3.274 ( 15.857 0.000 13.700) 20.955 3.508 ( -1.917 0.000 -4.119) 4.543 3.508 ( 1.917 0.000 -4.119) 4.543 3.643 ( -4.055 0.000 6.654) 7.792 3.643 ( 4.055 0.000 6.654) 7.792 3.747 ( -2.771 0.000 1.769) 3.288 3.747 ( 2.771 0.000 1.769) 3.288 3.977 ( -6.728 0.000 -0.291) 6.735 3.977 ( 6.728 0.000 -0.291) 6.735 4.132 ( -1.865 0.000 2.041) 2.765 4.132 ( 1.865 0.000 2.041) 2.765 4.250 ( -4.121 0.000 -0.883) 4.214 4.250 ( 4.121 0.000 -0.883) 4.214 4.492 ( -4.452 0.000 -3.548) 5.693 4.492 ( 4.452 0.000 -3.548) 5.693 4.633 ( -3.196 0.000 -3.280) 4.580 4.633 ( 3.196 0.000 -3.280) 4.580 4.917 ( -3.286 0.000 -1.944) 3.818 4.917 ( 3.286 0.000 -1.944) 3.818 5.112 ( -3.459 0.000 -6.225) 7.121 5.112 ( 3.459 0.000 -6.225) 7.121 5.431 ( -2.669 0.000 0.313) 2.687 5.431 ( 2.669 0.000 0.313) 2.687 5.450 ( -3.661 0.000 3.534) 5.088 5.450 ( 3.661 0.000 3.534) 5.088 5.666 ( -2.310 0.000 1.490) 2.749 5.666 ( 2.310 0.000 1.490) 2.749 5.983 ( -5.752 0.000 -3.759) 6.871 5.983 ( 5.752 0.000 -3.759) 6.871 6.575 ( -6.596 0.000 6.676) 9.385 6.575 ( 6.596 0.000 6.676) 9.385 7.021 ( -2.803 0.000 -0.401) 2.832 7.021 ( 2.803 0.000 -0.401) 2.832 7.281 ( -1.889 0.000 -6.999) 7.249 7.281 ( 1.889 0.000 -6.999) 7.249 7.380 ( -11.429 0.000 -5.940) 12.881 7.380 ( 11.429 0.000 -5.940) 12.881 7.644 ( -6.874 0.000 11.358) 13.276 7.644 ( 6.874 0.000 11.358) 13.276 7.968 ( -7.183 0.000 0.930) 7.243 7.968 ( 7.183 0.000 0.930) 7.243 8.110 ( -2.693 0.000 -4.214) 5.000 8.110 ( 2.693 0.000 -4.214) 5.000 8.762 ( -6.943 0.000 -6.787) 9.709 8.762 ( 6.943 0.000 -6.787) 9.709 8.974 ( -3.896 0.000 2.263) 4.505 8.974 ( 3.896 0.000 2.263) 4.505 9.100 ( -4.224 0.000 -1.011) 4.344 9.100 ( 4.224 0.000 -1.011) 4.344 9.141 ( -6.731 0.000 4.979) 8.372 9.141 ( 6.731 0.000 4.979) 8.372 9.958 ( -9.336 0.000 -1.931) 9.533 9.958 ( 9.336 0.000 -1.931) 9.533 10.133 ( -10.148 0.000 8.683) 13.356 10.133 ( 10.148 0.000 8.683) 13.356 10.721 ( -11.878 0.000 -4.232) 12.610 10.721 ( 11.878 0.000 -4.232) 12.610 10.746 ( -9.450 0.000 -9.515) 13.411 10.746 ( 9.450 0.000 -9.515) 13.411 10.947 ( -8.022 0.000 -6.591) 10.383 10.947 ( 8.022 0.000 -6.591) 10.383 11.249 ( -2.730 0.000 0.434) 2.765 11.249 ( 2.730 0.000 0.434) 2.765 11.526 ( -0.533 0.000 -4.606) 4.636 11.526 ( 0.533 0.000 -4.606) 4.636 12.780 ( -4.376 0.000 11.612) 12.409 12.780 ( 4.376 0.000 11.612) 12.409 12.884 ( -2.902 0.000 0.897) 3.037 12.884 ( 2.902 0.000 0.897) 3.037 13.257 ( -9.265 0.000 -2.236) 9.531 13.257 ( 9.265 0.000 -2.236) 9.531 13.651 ( -7.114 0.000 7.176) 10.105 13.651 ( 7.114 0.000 7.176) 10.105 14.034 ( -5.308 0.000 -0.667) 5.350 14.034 ( 5.308 0.000 -0.667) 5.350 14.539 ( -9.350 0.000 -16.978) 19.382 14.539 ( 9.350 0.000 -16.978) 19.382 14.831 ( -1.953 0.000 1.708) 2.594 14.831 ( 1.953 0.000 1.708) 2.594 15.710 ( -6.200 0.000 4.412) 7.610 15.710 ( 6.200 0.000 4.412) 7.610 16.554 ( -1.910 0.000 -6.829) 7.091 16.554 ( 1.910 0.000 -6.829) 7.091 17.110 ( -2.662 0.000 1.937) 3.292 17.110 ( 2.662 0.000 1.937) 3.292 17.569 ( -4.561 0.000 2.531) 5.217 17.569 ( 4.561 0.000 2.531) 5.217 18.063 ( -2.072 0.000 5.823) 6.180 18.063 ( 2.072 0.000 5.823) 6.180 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 5.599 26.077) 26.671 1.342 ( 0.000 22.227 18.438) 28.879 2.049 ( 0.000 9.066 11.638) 14.752 2.111 ( 0.000 11.804 2.087) 11.988 2.111 ( 0.000 6.882 8.789) 11.163 2.155 ( 0.000 16.421 31.031) 35.108 2.243 ( 0.000 -0.455 4.926) 4.947 2.316 ( 0.000 2.406 -1.742) 2.971 2.404 ( 0.000 7.281 -0.420) 7.293 2.513 ( 0.000 2.761 -5.845) 6.465 2.564 ( 0.000 -1.536 -2.170) 2.658 2.782 ( 0.000 -5.877 -7.590) 9.600 2.812 ( 0.000 1.185 -5.719) 5.840 2.843 ( 0.000 -3.659 -10.735) 11.341 2.919 ( 0.000 0.270 -3.082) 3.093 2.975 ( 0.000 6.111 0.653) 6.145 3.030 ( 0.000 1.776 0.125) 1.780 3.144 ( 0.000 -0.942 2.439) 2.615 3.236 ( 0.000 0.083 -5.373) 5.374 3.277 ( 0.000 2.219 -5.643) 6.063 3.353 ( 0.000 2.197 -3.553) 4.177 3.629 ( 0.000 -0.651 -1.990) 2.094 3.781 ( 0.000 2.503 4.549) 5.192 3.873 ( 0.000 1.979 3.935) 4.405 3.925 ( 0.000 3.453 4.141) 5.392 3.963 ( 0.000 -1.829 -1.987) 2.701 3.987 ( 0.000 7.289 4.839) 8.749 4.088 ( 0.000 -4.791 -1.116) 4.919 4.200 ( 0.000 -3.958 -2.911) 4.913 4.217 ( 0.000 13.714 -0.392) 13.720 4.302 ( 0.000 15.980 3.446) 16.348 4.501 ( 0.000 1.364 2.962) 3.261 4.528 ( 0.000 -5.811 0.059) 5.811 4.534 ( 0.000 17.249 -3.970) 17.700 4.576 ( 0.000 5.790 1.466) 5.973 4.762 ( 0.000 -0.610 0.446) 0.756 4.762 ( 0.000 6.062 4.149) 7.346 4.885 ( 0.000 8.279 -0.719) 8.310 4.999 ( 0.000 4.130 -4.015) 5.760 5.071 ( 0.000 4.052 -3.766) 5.532 5.372 ( 0.000 1.698 1.821) 2.490 5.446 ( 0.000 -3.007 -5.413) 6.192 5.475 ( 0.000 7.679 5.032) 9.181 5.649 ( 0.000 2.191 4.533) 5.034 5.738 ( 0.000 7.065 1.081) 7.147 5.741 ( 0.000 5.731 2.380) 6.205 5.801 ( 0.000 9.833 -8.772) 13.178 6.152 ( 0.000 1.903 -4.985) 5.336 6.567 ( 0.000 22.253 12.488) 25.518 6.762 ( 0.000 -4.440 0.673) 4.490 7.020 ( 0.000 0.709 -2.173) 2.285 7.036 ( 0.000 7.340 2.084) 7.630 7.130 ( 0.000 2.511 -1.262) 2.810 7.257 ( 0.000 5.834 -1.023) 5.923 7.295 ( 0.000 0.938 -6.779) 6.844 7.562 ( 0.000 -0.940 -5.745) 5.821 7.742 ( 0.000 0.402 -1.653) 1.701 7.875 ( 0.000 6.956 -10.531) 12.621 7.991 ( 0.000 3.069 6.497) 7.185 8.156 ( 0.000 12.189 -4.769) 13.089 8.204 ( 0.000 -0.491 4.038) 4.068 8.301 ( 0.000 4.657 5.152) 6.945 8.662 ( 0.000 -0.959 8.878) 8.929 8.740 ( 0.000 5.357 -10.954) 12.194 8.817 ( 0.000 3.511 5.284) 6.344 8.988 ( 0.000 7.519 6.423) 9.889 9.071 ( 0.000 2.893 -4.691) 5.511 9.221 ( 0.000 14.952 -1.592) 15.036 9.358 ( 0.000 13.131 -0.152) 13.131 9.447 ( 0.000 14.824 -7.425) 16.579 9.908 ( 0.000 -6.465 -2.254) 6.847 10.116 ( 0.000 4.072 -5.144) 6.560 10.299 ( 0.000 7.749 -1.506) 7.894 10.390 ( 0.000 3.828 -0.352) 3.844 10.429 ( 0.000 2.641 0.837) 2.770 10.662 ( 0.000 4.925 0.769) 4.984 10.719 ( 0.000 0.282 10.186) 10.190 10.862 ( 0.000 8.938 9.298) 12.898 10.957 ( 0.000 -5.123 -7.743) 9.284 11.230 ( 0.000 6.124 -10.878) 12.484 11.357 ( 0.000 10.804 -4.568) 11.730 11.490 ( 0.000 12.462 -3.148) 12.854 11.515 ( 0.000 2.047 -5.886) 6.232 11.535 ( 0.000 1.630 -7.042) 7.228 12.581 ( 0.000 -1.224 4.886) 5.037 12.639 ( 0.000 -3.252 7.350) 8.037 12.860 ( 0.000 0.763 10.085) 10.114 12.897 ( 0.000 1.329 -1.001) 1.664 13.142 ( 0.000 6.379 1.901) 6.656 13.344 ( 0.000 -6.835 -0.052) 6.835 13.446 ( 0.000 -1.904 4.418) 4.810 13.824 ( 0.000 -6.738 2.206) 7.090 13.844 ( 0.000 -3.943 2.057) 4.448 14.245 ( 0.000 1.351 -6.801) 6.934 14.267 ( 0.000 8.368 2.492) 8.731 14.775 ( 0.000 4.014 -16.769) 17.242 14.887 ( 0.000 -1.464 0.570) 1.571 14.902 ( 0.000 -1.298 -11.326) 11.400 15.482 ( 0.000 -4.243 9.000) 9.950 15.925 ( 0.000 1.893 3.367) 3.863 16.264 ( 0.000 -6.570 -9.001) 11.144 16.469 ( 0.000 -3.746 -6.072) 7.135 17.115 ( 0.000 -1.239 6.653) 6.768 17.197 ( 0.000 -7.365 -1.589) 7.534 17.331 ( 0.000 -6.997 3.782) 7.954 17.670 ( 0.000 -4.563 -1.325) 4.751 17.966 ( 0.000 -2.627 6.924) 7.406 18.068 ( 0.000 -4.744 4.961) 6.864 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 5.321 7.952 22.850) 24.773 1.458 ( 7.175 22.806 16.437) 29.013 1.842 ( -12.387 17.373 9.079) 23.188 1.940 ( -14.648 5.847 10.794) 19.112 2.192 ( 3.586 1.749 3.990) 5.643 2.232 ( -0.302 -1.057 4.185) 4.327 2.363 ( 3.089 4.518 -3.576) 6.538 2.390 ( 7.516 11.780 4.822) 14.783 2.428 ( 7.014 3.701 8.299) 11.479 2.511 ( -0.867 -1.441 -3.669) 4.036 2.589 ( 3.782 4.245 -2.678) 6.284 2.710 ( -2.174 1.893 -2.302) 3.689 2.744 ( 0.086 -2.746 -3.474) 4.429 2.865 ( -0.764 -0.249 -2.612) 2.733 2.915 ( -5.131 5.554 1.951) 7.809 2.995 ( 5.399 -2.388 1.158) 6.016 3.047 ( 0.405 1.041 -2.604) 2.833 3.154 ( -0.186 1.616 -2.469) 2.957 3.263 ( -1.582 3.553 -6.550) 7.618 3.332 ( 7.973 -0.568 -0.528) 8.010 3.409 ( 5.271 1.024 -3.393) 6.352 3.643 ( -2.492 -2.632 -0.787) 3.709 3.693 ( -5.535 1.624 7.131) 9.172 3.833 ( -8.358 1.992 2.577) 8.970 3.855 ( -4.216 3.822 4.223) 7.086 3.944 ( -5.708 4.739 3.047) 8.020 3.974 ( -1.850 2.760 7.192) 7.922 4.084 ( -0.092 -1.741 2.239) 2.838 4.104 ( 0.717 0.820 2.350) 2.590 4.205 ( 0.373 5.802 -6.862) 8.994 4.361 ( 3.930 9.993 -1.421) 10.832 4.396 ( -4.092 19.636 3.209) 20.313 4.418 ( -4.749 1.805 -2.536) 5.678 4.524 ( -3.818 -0.140 1.389) 4.065 4.635 ( 5.046 7.890 -3.143) 9.879 4.799 ( -0.178 5.873 -2.270) 6.299 4.842 ( 4.228 3.039 -0.945) 5.292 4.963 ( 0.716 0.992 -4.703) 4.860 5.050 ( 6.509 4.897 -0.211) 8.148 5.104 ( 3.121 2.158 -4.409) 5.817 5.354 ( -0.181 0.489 0.803) 0.958 5.414 ( -1.380 -0.194 1.240) 1.865 5.525 ( 2.774 7.785 2.403) 8.606 5.608 ( -2.403 5.872 3.012) 7.024 5.721 ( -0.634 7.188 0.817) 7.262 5.751 ( -0.354 5.555 1.432) 5.747 5.886 ( 6.258 4.360 -5.358) 9.321 6.110 ( -3.766 2.234 -3.545) 5.634 6.625 ( 4.985 17.701 5.427) 19.174 6.764 ( -0.353 4.496 0.916) 4.602 6.979 ( 0.440 1.382 -1.046) 1.788 7.090 ( -1.838 1.917 -0.766) 2.764 7.189 ( 7.186 2.261 -1.717) 7.727 7.275 ( 2.240 4.133 -1.875) 5.061 7.291 ( 0.067 2.684 -5.137) 5.796 7.532 ( -2.276 1.213 -2.873) 3.861 7.746 ( -7.935 3.954 -5.588) 10.480 7.805 ( 1.701 -0.066 0.813) 1.886 7.895 ( -4.939 3.966 6.096) 8.791 8.136 ( -2.272 7.344 0.319) 7.694 8.185 ( -3.675 5.141 0.942) 6.389 8.210 ( -6.717 3.835 2.070) 8.007 8.699 ( 3.102 5.310 -9.380) 11.216 8.803 ( 7.897 2.794 3.662) 9.142 8.935 ( 5.730 -2.066 5.461) 8.181 9.016 ( 4.030 7.695 -1.583) 8.830 9.103 ( 1.247 5.539 2.674) 6.276 9.211 ( -0.602 13.889 -1.091) 13.945 9.335 ( -2.701 13.012 -0.344) 13.294 9.384 ( -5.141 16.398 -2.792) 17.410 9.893 ( 1.192 1.701 0.459) 2.127 10.090 ( -1.559 4.698 -4.196) 6.489 10.188 ( -7.508 4.270 2.107) 8.891 10.462 ( 4.401 2.672 2.176) 5.589 10.544 ( -6.043 6.985 2.132) 9.479 10.585 ( 7.172 6.987 -0.135) 10.014 10.715 ( 3.448 2.655 -4.676) 6.388 10.894 ( -1.989 -6.712 -7.853) 10.521 10.960 ( 1.493 7.292 4.112) 8.504 11.156 ( -6.190 4.976 -9.192) 12.147 11.360 ( -0.315 12.127 -4.186) 12.833 11.414 ( -4.277 8.588 -3.284) 10.140 11.537 ( 0.731 2.843 -4.433) 5.317 11.550 ( 0.852 3.791 -5.636) 6.846 12.613 ( 2.762 -5.837 6.400) 9.092 12.739 ( 7.268 -2.763 4.612) 9.040 12.795 ( -3.342 -3.748 8.752) 10.090 12.942 ( 0.083 1.390 6.291) 6.443 13.162 ( 3.751 5.688 -3.091) 7.482 13.355 ( -1.003 -2.693 -2.482) 3.797 13.468 ( 3.341 -4.834 5.970) 8.377 13.734 ( -7.141 -5.643 3.589) 9.784 13.886 ( 3.929 -4.359 0.911) 5.939 14.133 ( -6.245 -0.050 -3.461) 7.141 14.420 ( 9.176 6.558 -3.756) 11.887 14.750 ( -3.443 5.489 -17.525) 18.684 14.835 ( -3.671 -0.958 -6.078) 7.165 14.867 ( -2.182 -1.662 1.945) 3.362 15.556 ( 6.197 -3.117 6.141) 9.265 15.836 ( -6.469 0.617 2.468) 6.951 16.374 ( 7.495 -6.940 -7.938) 12.936 16.489 ( 1.369 -4.806 -6.357) 8.086 17.080 ( -2.065 -2.829 5.035) 6.133 17.148 ( -3.782 -5.122 -1.447) 6.529 17.408 ( 5.633 -6.075 3.745) 9.092 17.618 ( -4.256 -3.988 1.596) 6.047 17.988 ( 1.715 -3.185 6.378) 7.333 18.055 ( -1.199 -4.432 5.536) 7.192 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -15.899 8.997 13.722) 22.847 1.551 ( 15.899 8.997 13.722) 22.847 1.642 ( -10.974 20.207 13.547) 26.689 1.642 ( 10.974 20.207 13.547) 26.689 2.232 ( -0.333 -1.469 2.272) 2.726 2.232 ( 0.333 -1.469 2.272) 2.726 2.387 ( -0.920 2.765 -7.199) 7.766 2.387 ( 0.920 2.765 -7.199) 7.766 2.506 ( -0.863 1.452 -6.793) 7.000 2.506 ( 0.863 1.452 -6.793) 7.000 2.739 ( -1.818 1.371 2.626) 3.476 2.739 ( 1.818 1.371 2.626) 3.476 2.786 ( -4.801 6.309 2.715) 8.380 2.786 ( 4.801 6.309 2.715) 8.380 2.934 ( -8.584 -0.026 3.214) 9.166 2.934 ( 8.584 -0.026 3.214) 9.166 3.172 ( -3.859 0.716 -2.848) 4.849 3.172 ( 3.859 0.716 -2.848) 4.849 3.296 ( -13.105 2.697 10.224) 16.839 3.296 ( 13.105 2.697 10.224) 16.839 3.494 ( -1.876 -0.720 -2.802) 3.448 3.494 ( 1.876 -0.720 -2.802) 3.448 3.686 ( -3.940 -0.494 2.644) 4.771 3.686 ( 3.940 -0.494 2.644) 4.771 3.821 ( -2.251 8.005 4.731) 9.567 3.821 ( 2.251 8.005 4.731) 9.567 4.039 ( -3.548 -1.193 -0.192) 3.749 4.039 ( 3.548 -1.193 -0.192) 3.749 4.185 ( -4.085 5.294 -1.568) 6.868 4.185 ( 4.085 5.294 -1.568) 6.868 4.354 ( -1.489 7.087 1.029) 7.315 4.354 ( 1.489 7.087 1.029) 7.315 4.445 ( -3.882 6.807 -0.463) 7.850 4.445 ( 3.882 6.807 -0.463) 7.850 4.736 ( -4.651 8.395 -3.629) 10.260 4.736 ( 4.651 8.395 -3.629) 10.260 4.929 ( -3.282 1.373 -2.214) 4.190 4.929 ( 3.282 1.373 -2.214) 4.190 5.131 ( -1.721 2.507 -5.858) 6.600 5.131 ( 1.721 2.507 -5.858) 6.600 5.384 ( -1.939 -0.949 1.577) 2.673 5.384 ( 1.939 -0.949 1.577) 2.673 5.572 ( -1.614 8.327 3.674) 9.244 5.572 ( 1.614 8.327 3.674) 9.244 5.726 ( -1.356 6.315 1.228) 6.575 5.726 ( 1.356 6.315 1.228) 6.575 6.011 ( -5.682 2.110 -3.396) 6.948 6.011 ( 5.682 2.110 -3.396) 6.948 6.725 ( -3.761 11.799 -0.661) 12.402 6.725 ( 3.761 11.799 -0.661) 12.402 7.029 ( -3.526 3.068 0.121) 4.676 7.029 ( 3.526 3.068 0.121) 4.676 7.264 ( -1.642 -1.270 -6.255) 6.591 7.264 ( 1.642 -1.270 -6.255) 6.591 7.430 ( -8.743 4.323 -4.614) 10.789 7.430 ( 8.743 4.323 -4.614) 10.789 7.691 ( -6.007 4.126 10.471) 12.757 7.691 ( 6.007 4.126 10.471) 12.757 7.999 ( -9.198 3.468 2.126) 10.057 7.999 ( 9.198 3.468 2.126) 10.057 8.138 ( -0.887 3.851 -3.120) 5.035 8.138 ( 0.887 3.851 -3.120) 5.035 8.816 ( -5.469 4.924 -7.851) 10.761 8.816 ( 5.469 4.924 -7.851) 10.761 9.047 ( -4.500 -1.577 6.433) 8.008 9.047 ( 4.500 -1.577 6.433) 8.008 9.167 ( -5.476 12.544 0.864) 13.714 9.167 ( 5.476 12.544 0.864) 13.714 9.299 ( -2.217 17.062 0.229) 17.207 9.299 ( 2.217 17.062 0.229) 17.207 9.971 ( -6.887 3.045 -2.222) 7.851 9.971 ( 6.887 3.045 -2.222) 7.851 10.257 ( -12.039 11.097 8.324) 18.368 10.257 ( 12.039 11.097 8.324) 18.368 10.643 ( -7.237 -2.437 -6.989) 10.352 10.643 ( 7.237 -2.437 -6.989) 10.352 10.834 ( -7.405 2.330 -6.827) 10.338 10.834 ( 7.405 2.330 -6.827) 10.338 11.002 ( -7.101 7.103 -4.576) 11.037 11.002 ( 7.101 7.103 -4.576) 11.037 11.361 ( -1.096 10.313 -1.945) 10.552 11.361 ( 1.096 10.313 -1.945) 10.552 11.552 ( -0.513 3.057 -4.573) 5.525 11.552 ( 0.513 3.057 -4.573) 5.525 12.695 ( -4.952 -6.695 7.887) 11.470 12.695 ( 4.952 -6.695 7.887) 11.470 12.885 ( -5.177 -1.686 6.674) 8.613 12.885 ( 5.177 -1.686 6.674) 8.613 13.278 ( -5.872 1.890 -4.334) 7.539 13.278 ( 5.872 1.890 -4.334) 7.539 13.582 ( -7.089 -6.113 5.193) 10.705 13.582 ( 7.089 -6.113 5.193) 10.705 13.998 ( -6.579 -3.217 -1.880) 7.561 13.998 ( 6.579 -3.217 -1.880) 7.561 14.609 ( -8.918 5.860 -10.534) 14.995 14.609 ( 8.918 5.860 -10.534) 14.995 14.823 ( -1.555 -0.528 -1.011) 1.928 14.823 ( 1.555 -0.528 -1.011) 1.928 15.697 ( -7.114 -1.163 3.174) 7.876 15.697 ( 7.114 -1.163 3.174) 7.876 16.485 ( -2.650 -6.828 -6.879) 10.048 16.485 ( 2.650 -6.828 -6.879) 10.048 17.077 ( -2.190 -3.446 1.224) 4.263 17.077 ( 2.190 -3.446 1.224) 4.263 17.521 ( -5.173 -4.483 3.504) 7.690 17.521 ( 5.173 -4.483 3.504) 7.690 18.024 ( -1.745 -3.865 6.199) 7.511 18.024 ( 1.745 -3.865 6.199) 7.511 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 10.005 21.120) 23.370 1.682 ( 0.000 13.428 18.505) 22.864 2.102 ( 0.000 0.647 10.129) 10.150 2.209 ( 0.000 0.712 0.831) 1.094 2.232 ( 0.000 -0.496 3.995) 4.025 2.262 ( 0.000 4.705 0.982) 4.806 2.398 ( 0.000 4.455 0.002) 4.455 2.519 ( 0.000 -0.265 -0.213) 0.340 2.587 ( 0.000 13.875 1.884) 14.003 2.631 ( 0.000 -4.833 -4.856) 6.851 2.677 ( 0.000 11.537 9.065) 14.672 2.697 ( 0.000 13.248 -0.319) 13.251 2.820 ( 0.000 0.961 -8.303) 8.359 2.823 ( 0.000 2.724 -1.632) 3.175 2.935 ( 0.000 4.852 -2.303) 5.371 3.054 ( 0.000 4.653 3.850) 6.039 3.057 ( 0.000 1.696 1.956) 2.589 3.170 ( 0.000 2.034 -0.937) 2.240 3.283 ( 0.000 6.175 -2.648) 6.719 3.343 ( 0.000 2.484 -1.829) 3.084 3.404 ( 0.000 3.084 -2.250) 3.817 3.477 ( 0.000 -12.293 0.535) 12.305 3.724 ( 0.000 -5.182 2.365) 5.696 3.791 ( 0.000 -8.019 -0.188) 8.022 3.948 ( 0.000 -2.102 -1.085) 2.366 3.956 ( 0.000 0.204 -1.524) 1.537 3.970 ( 0.000 -5.936 -0.558) 5.962 4.160 ( 0.000 2.454 -1.328) 2.790 4.266 ( 0.000 11.688 2.413) 11.934 4.347 ( 0.000 3.180 8.503) 9.078 4.376 ( 0.000 -6.237 -1.465) 6.406 4.569 ( 0.000 5.207 -0.409) 5.223 4.611 ( 0.000 0.600 -1.565) 1.676 4.710 ( 0.000 -2.479 4.947) 5.533 4.788 ( 0.000 23.447 4.463) 23.868 4.868 ( 0.000 11.691 -3.477) 12.197 4.942 ( 0.000 5.364 -1.658) 5.614 5.023 ( 0.000 8.104 -4.385) 9.214 5.185 ( 0.000 8.548 -0.752) 8.581 5.249 ( 0.000 11.635 -2.929) 11.998 5.424 ( 0.000 3.457 3.406) 4.853 5.461 ( 0.000 6.481 -0.675) 6.516 5.643 ( 0.000 -0.888 7.070) 7.126 5.758 ( 0.000 19.811 6.864) 20.967 5.890 ( 0.000 11.687 0.809) 11.715 5.962 ( 0.000 12.840 -2.485) 13.078 6.006 ( 0.000 9.405 -0.930) 9.451 6.185 ( 0.000 6.202 -8.670) 10.660 6.689 ( 0.000 -2.607 -0.752) 2.713 6.990 ( 0.000 -2.345 -2.904) 3.733 7.083 ( 0.000 -0.509 -5.935) 5.957 7.109 ( 0.000 23.540 -1.848) 23.613 7.222 ( 0.000 -2.000 -7.916) 8.164 7.225 ( 0.000 5.456 -1.597) 5.685 7.537 ( 0.000 -1.639 -0.947) 1.893 7.545 ( 0.000 12.697 -1.193) 12.753 7.828 ( 0.000 11.179 5.153) 12.309 8.040 ( 0.000 2.140 2.224) 3.086 8.044 ( 0.000 11.053 -8.829) 14.146 8.236 ( 0.000 4.530 1.640) 4.817 8.348 ( 0.000 7.261 0.355) 7.270 8.583 ( 0.000 21.613 5.074) 22.201 8.657 ( 0.000 1.247 9.781) 9.860 8.837 ( 0.000 0.194 4.413) 4.417 8.856 ( 0.000 5.769 -8.392) 10.184 9.030 ( 0.000 -4.938 -9.123) 10.374 9.186 ( 0.000 9.830 6.442) 11.753 9.583 ( 0.000 11.485 -4.531) 12.346 9.659 ( 0.000 17.196 2.476) 17.373 9.765 ( 0.000 12.227 -6.264) 13.738 9.945 ( 0.000 18.560 2.151) 18.684 10.262 ( 0.000 9.320 -1.397) 9.424 10.373 ( 0.000 -2.080 11.186) 11.378 10.392 ( 0.000 0.456 1.761) 1.819 10.599 ( 0.000 12.388 1.444) 12.472 10.773 ( 0.000 12.778 0.531) 12.789 10.889 ( 0.000 9.373 -8.298) 12.518 10.986 ( 0.000 11.983 1.558) 12.084 11.087 ( 0.000 13.233 10.632) 16.975 11.404 ( 0.000 9.786 -13.373) 16.571 11.582 ( 0.000 7.553 -6.029) 9.664 11.594 ( 0.000 12.093 -4.619) 12.945 11.595 ( 0.000 4.034 -4.372) 5.948 11.775 ( 0.000 16.564 -5.679) 17.511 12.555 ( 0.000 -4.985 5.741) 7.604 12.608 ( 0.000 2.964 0.002) 2.964 12.843 ( 0.000 -2.173 8.715) 8.982 12.902 ( 0.000 -2.943 5.351) 6.107 13.151 ( 0.000 -5.603 0.966) 5.686 13.189 ( 0.000 -6.531 -3.559) 7.438 13.372 ( 0.000 -6.792 5.458) 8.713 13.657 ( 0.000 -10.288 -0.262) 10.291 13.828 ( 0.000 3.094 -6.639) 7.325 14.252 ( 0.000 -0.487 -11.518) 11.528 14.448 ( 0.000 9.300 8.472) 12.580 14.783 ( 0.000 -5.087 -6.395) 8.172 14.861 ( 0.000 -0.461 -1.672) 1.734 14.964 ( 0.000 8.896 -14.059) 16.637 15.374 ( 0.000 -5.922 10.308) 11.888 15.989 ( 0.000 4.551 -5.569) 7.192 16.076 ( 0.000 -12.487 -6.809) 14.223 16.363 ( 0.000 -7.033 -7.435) 10.235 16.976 ( 0.000 -14.848 -1.770) 14.953 17.035 ( 0.000 -9.141 -2.770) 9.552 17.202 ( 0.000 -2.936 12.656) 12.992 17.585 ( 0.000 -3.434 2.043) 3.996 17.891 ( 0.000 -4.908 6.999) 8.549 17.946 ( 0.000 -7.714 6.434) 10.045 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 5.344 11.356 18.099) 22.025 1.825 ( 9.984 13.014 13.707) 21.376 2.013 ( -10.550 6.007 9.362) 15.331 2.151 ( -4.522 3.296 3.671) 6.692 2.208 ( 0.030 2.406 2.825) 3.711 2.250 ( -2.077 4.651 2.791) 5.808 2.385 ( -1.729 -0.546 -1.888) 2.618 2.476 ( -1.671 0.595 -1.387) 2.252 2.488 ( -8.140 -0.695 -6.981) 10.746 2.612 ( -3.128 0.428 -4.308) 5.342 2.712 ( 6.917 4.973 0.052) 8.519 2.812 ( 7.934 11.746 8.886) 16.730 2.831 ( 4.418 9.984 1.315) 10.997 2.884 ( 1.056 1.978 -5.044) 5.520 2.954 ( 3.125 -0.020 0.297) 3.140 3.039 ( -1.309 4.100 2.100) 4.790 3.080 ( 1.171 9.932 3.715) 10.669 3.213 ( -0.410 4.222 1.543) 4.514 3.274 ( -1.314 -2.275 -2.150) 3.395 3.364 ( 6.501 2.301 -0.964) 6.964 3.409 ( -0.317 -2.817 -1.477) 3.196 3.539 ( 3.964 -3.205 1.226) 5.243 3.668 ( -2.368 -3.423 0.200) 4.167 3.862 ( -3.539 -5.882 -1.763) 7.087 3.883 ( 3.141 -3.894 2.616) 5.646 3.907 ( -8.657 6.500 3.459) 11.365 3.993 ( 0.575 -4.555 -1.909) 4.972 4.007 ( -10.384 -0.860 8.001) 13.137 4.136 ( -1.699 -1.976 -0.956) 2.776 4.338 ( -5.983 -4.027 -2.639) 7.680 4.413 ( 1.392 12.229 -2.299) 12.520 4.466 ( -2.430 2.920 1.190) 3.981 4.705 ( 6.871 5.021 1.633) 8.665 4.805 ( 1.553 21.157 3.269) 21.464 4.876 ( 6.065 4.790 1.564) 7.885 4.891 ( 3.108 9.064 -3.999) 10.383 4.938 ( 0.210 6.039 -1.164) 6.154 5.003 ( -1.766 4.396 -4.746) 6.706 5.191 ( 0.430 6.952 -1.031) 7.041 5.244 ( -0.474 9.120 -3.396) 9.743 5.393 ( -0.547 4.223 3.210) 5.333 5.461 ( -1.443 5.534 3.430) 6.669 5.709 ( 4.746 1.517 4.253) 6.551 5.784 ( 2.812 19.332 5.640) 20.333 5.862 ( -2.420 10.022 1.411) 10.406 5.941 ( -2.090 11.332 -1.769) 11.658 6.023 ( 1.810 9.708 -1.433) 9.979 6.160 ( -2.728 7.238 -5.574) 9.534 6.725 ( 4.023 -1.031 -4.289) 5.971 6.931 ( -4.045 0.647 -3.417) 5.335 7.112 ( 1.987 -0.417 -6.045) 6.377 7.185 ( 2.208 16.167 -5.881) 17.344 7.216 ( 1.954 -0.987 -5.153) 5.598 7.264 ( 3.124 4.403 -1.939) 5.736 7.511 ( -0.365 6.136 -2.381) 6.592 7.575 ( 0.584 5.889 -0.014) 5.918 7.840 ( -8.062 6.719 -2.868) 10.880 7.868 ( -1.142 9.175 7.173) 11.702 7.999 ( -3.303 6.569 -0.146) 7.354 8.203 ( 1.216 6.133 5.012) 8.013 8.334 ( -6.458 8.049 -0.569) 10.335 8.486 ( -8.691 18.367 5.701) 21.104 8.792 ( 7.223 3.249 -6.401) 10.183 8.878 ( 5.487 5.580 -1.514) 7.971 8.899 ( 4.395 -0.242 2.408) 5.018 9.045 ( 2.605 -2.343 1.545) 3.829 9.256 ( 4.379 9.139 5.303) 11.437 9.547 ( -3.412 15.050 -0.757) 15.450 9.667 ( 1.496 19.729 1.653) 19.855 9.814 ( 1.078 20.936 -4.345) 21.409 10.002 ( 7.070 12.535 0.164) 14.392 10.202 ( -5.322 6.009 -2.217) 8.328 10.342 ( -1.525 10.084 2.196) 10.432 10.551 ( 12.654 2.343 3.402) 13.311 10.640 ( 4.136 8.223 2.063) 9.433 10.728 ( -3.629 4.606 -3.495) 6.826 10.824 ( -10.897 8.755 2.632) 14.224 10.922 ( 2.344 12.953 -8.274) 15.548 11.133 ( -1.889 9.965 0.897) 10.182 11.332 ( -4.000 12.803 -3.183) 13.786 11.532 ( -0.982 5.219 -7.306) 9.032 11.591 ( -0.179 6.516 -2.417) 6.952 11.666 ( 2.765 14.650 -5.776) 15.988 11.751 ( -1.861 15.456 -4.972) 16.342 12.518 ( -0.933 -4.151 4.598) 6.264 12.691 ( 2.600 -3.534 7.361) 8.570 12.704 ( -5.438 -3.871 2.473) 7.119 12.908 ( -3.320 -5.916 8.087) 10.555 13.185 ( 3.977 -3.893 -1.485) 5.760 13.279 ( 5.779 -3.854 -3.347) 7.711 13.355 ( -0.617 -7.552 5.619) 9.433 13.616 ( -4.869 -7.324 -1.454) 8.914 13.830 ( 2.067 0.913 -4.866) 5.365 14.119 ( -9.455 -1.112 -7.228) 11.953 14.559 ( 7.515 6.721 3.897) 10.809 14.774 ( -1.082 -4.902 -5.040) 7.113 14.848 ( -1.088 1.085 -0.465) 1.606 14.900 ( -4.559 8.103 -10.755) 14.216 15.486 ( 8.966 -3.082 4.825) 10.638 15.857 ( -8.182 0.873 -4.049) 9.171 16.194 ( 6.535 -10.319 -6.575) 13.871 16.353 ( -1.206 -8.856 -7.058) 11.388 16.953 ( -0.852 -10.791 -0.359) 10.831 17.014 ( -2.004 -8.931 -3.441) 9.778 17.286 ( 6.660 -4.370 9.701) 12.552 17.539 ( -4.216 -3.366 3.817) 6.608 17.900 ( 0.777 -5.611 6.960) 8.974 17.938 ( -0.718 -7.431 6.677) 10.016 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -15.220 9.937 11.209) 21.355 1.719 ( 15.220 9.937 11.209) 21.355 2.019 ( -8.487 13.167 8.443) 17.795 2.019 ( 8.487 13.167 8.443) 17.795 2.223 ( -0.985 0.957 2.866) 3.178 2.223 ( 0.985 0.957 2.866) 3.178 2.364 ( -1.632 -2.717 -5.476) 6.327 2.364 ( 1.632 -2.717 -5.476) 6.327 2.531 ( -3.989 0.067 -3.381) 5.230 2.531 ( 3.989 0.067 -3.381) 5.230 2.834 ( -3.392 4.156 -1.122) 5.480 2.834 ( 3.392 4.156 -1.122) 5.480 2.895 ( -0.120 3.216 -1.641) 3.613 2.895 ( 0.120 3.216 -1.641) 3.613 3.034 ( -2.290 10.727 2.431) 11.235 3.034 ( 2.290 10.727 2.431) 11.235 3.152 ( -9.469 -1.516 3.979) 10.383 3.152 ( 9.469 -1.516 3.979) 10.383 3.316 ( -8.132 -0.860 4.347) 9.261 3.316 ( 8.132 -0.860 4.347) 9.261 3.540 ( -8.404 6.158 4.030) 11.171 3.540 ( 8.404 6.158 4.030) 11.171 3.658 ( -7.184 -0.866 0.736) 7.273 3.658 ( 7.184 -0.866 0.736) 7.273 3.877 ( -4.687 -0.840 1.386) 4.959 3.877 ( 4.687 -0.840 1.386) 4.959 3.971 ( -3.680 -4.977 -0.288) 6.196 3.971 ( 3.680 -4.977 -0.288) 6.196 4.186 ( -6.651 -5.899 -1.613) 9.035 4.186 ( 6.651 -5.899 -1.613) 9.035 4.443 ( -1.410 9.492 -1.042) 9.652 4.443 ( 1.410 9.492 -1.042) 9.652 4.807 ( -2.632 14.188 0.736) 14.448 4.807 ( 2.632 14.188 0.736) 14.448 4.913 ( -1.599 9.304 -1.711) 9.594 4.913 ( 1.599 9.304 -1.711) 9.594 4.977 ( -2.505 3.786 -2.177) 5.035 4.977 ( 2.505 3.786 -2.177) 5.035 5.219 ( -2.062 4.592 -2.821) 5.771 5.219 ( 2.062 4.592 -2.821) 5.771 5.416 ( -2.300 4.750 4.428) 6.889 5.416 ( 2.300 4.750 4.428) 6.889 5.790 ( -3.337 12.139 3.398) 13.040 5.790 ( 3.337 12.139 3.398) 13.040 5.877 ( -4.084 8.355 0.872) 9.340 5.877 ( 4.084 8.355 0.872) 9.340 6.084 ( -3.989 9.166 -2.486) 10.301 6.084 ( 3.989 9.166 -2.486) 10.301 6.834 ( -5.597 0.517 -5.444) 7.825 6.834 ( 5.597 0.517 -5.444) 7.825 7.156 ( -2.347 1.896 -7.832) 8.393 7.156 ( 2.347 1.896 -7.832) 8.393 7.287 ( -2.025 5.273 -3.742) 6.775 7.287 ( 2.025 5.273 -3.742) 6.775 7.540 ( -2.902 6.509 -3.289) 7.849 7.540 ( 2.902 6.509 -3.289) 7.849 7.778 ( -3.227 5.424 6.946) 9.385 7.778 ( 3.227 5.424 6.946) 9.385 8.123 ( -10.787 8.999 0.425) 14.055 8.123 ( 10.787 8.999 0.425) 14.055 8.301 ( -7.753 13.359 5.046) 16.249 8.301 ( 7.753 13.359 5.046) 16.249 8.913 ( -1.306 2.123 -4.416) 5.071 8.913 ( 1.306 2.123 -4.416) 5.071 9.007 ( -8.092 1.425 1.412) 8.337 9.007 ( 8.092 1.425 1.412) 8.337 9.424 ( -9.417 12.349 4.814) 16.259 9.424 ( 9.417 12.349 4.814) 16.259 9.743 ( -5.795 23.788 2.002) 24.565 9.743 ( 5.795 23.788 2.002) 24.565 10.114 ( -3.222 11.533 -4.714) 12.869 10.114 ( 3.222 11.533 -4.714) 12.869 10.489 ( -14.872 9.681 0.833) 17.764 10.489 ( 14.872 9.681 0.833) 17.764 10.682 ( -3.104 8.080 1.396) 8.768 10.682 ( 3.104 8.080 1.396) 8.768 10.861 ( -9.560 2.207 -8.835) 13.203 10.861 ( 9.560 2.207 -8.835) 13.203 11.186 ( -9.181 10.770 -1.400) 14.221 11.186 ( 9.181 10.770 -1.400) 14.221 11.567 ( -2.487 8.547 -2.583) 9.268 11.567 ( 2.487 8.547 -2.583) 9.268 11.711 ( -2.034 15.051 -5.107) 16.023 11.711 ( 2.034 15.051 -5.107) 16.023 12.555 ( -4.934 -7.156 6.532) 10.873 12.555 ( 4.934 -7.156 6.532) 10.873 12.810 ( -5.550 -5.414 5.583) 9.554 12.810 ( 5.550 -5.414 5.583) 9.554 13.268 ( -3.729 -5.743 -0.165) 6.850 13.268 ( 3.729 -5.743 -0.165) 6.850 13.471 ( -8.364 -3.633 -0.732) 9.148 13.471 ( 8.364 -3.633 -0.732) 9.148 13.935 ( -7.718 -2.117 -4.984) 9.428 13.935 ( 7.718 -2.117 -4.984) 9.428 14.704 ( -6.068 1.630 0.751) 6.328 14.704 ( 6.068 1.630 0.751) 6.328 14.840 ( -0.970 3.961 -5.829) 7.114 14.840 ( 0.970 3.961 -5.829) 7.114 15.679 ( -9.341 -0.222 -0.598) 9.362 15.679 ( 9.341 -0.222 -0.598) 9.362 16.302 ( -3.908 -11.172 -6.344) 13.429 16.302 ( 3.908 -11.172 -6.344) 13.429 16.967 ( -2.035 -8.248 -2.109) 8.753 16.967 ( 2.035 -8.248 -2.109) 8.753 17.427 ( -6.544 -4.078 6.567) 10.127 17.427 ( 6.544 -4.078 6.567) 10.127 17.919 ( -1.009 -6.685 7.000) 9.731 17.919 ( 1.009 -6.685 7.000) 9.731 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 11.818 14.431) 18.653 1.924 ( 0.000 11.595 14.353) 18.451 2.094 ( 0.000 -1.481 6.652) 6.815 2.224 ( 0.000 0.207 2.721) 2.729 2.234 ( 0.000 1.855 3.526) 3.985 2.327 ( 0.000 2.534 0.195) 2.542 2.446 ( 0.000 -0.255 2.416) 2.429 2.538 ( 0.000 -2.153 -1.917) 2.883 2.538 ( 0.000 3.285 -0.467) 3.318 2.641 ( 0.000 -3.300 2.956) 4.430 2.780 ( 0.000 -5.005 -1.896) 5.352 2.797 ( 0.000 0.771 -0.398) 0.868 2.801 ( 0.000 1.764 0.601) 1.863 2.890 ( 0.000 1.094 3.223) 3.404 3.048 ( 0.000 7.310 -6.449) 9.748 3.119 ( 0.000 -5.060 2.588) 5.683 3.169 ( 0.000 -0.495 -5.318) 5.341 3.253 ( 0.000 -1.630 -0.602) 1.737 3.306 ( 0.000 4.579 2.083) 5.031 3.380 ( 0.000 3.108 0.925) 3.243 3.444 ( 0.000 6.798 -0.177) 6.800 3.590 ( 0.000 -6.750 -2.875) 7.337 3.592 ( 0.000 9.288 2.779) 9.695 3.618 ( 0.000 -2.336 -3.786) 4.449 3.871 ( 0.000 -5.330 1.623) 5.571 3.886 ( 0.000 0.797 0.765) 1.104 3.970 ( 0.000 2.121 1.071) 2.376 4.226 ( 0.000 3.711 -6.651) 7.616 4.295 ( 0.000 0.064 1.819) 1.820 4.439 ( 0.000 6.560 5.002) 8.249 4.447 ( 0.000 6.096 6.085) 8.613 4.579 ( 0.000 -3.482 4.187) 5.445 4.607 ( 0.000 -0.608 -1.030) 1.196 4.769 ( 0.000 6.927 -3.811) 7.906 4.973 ( 0.000 2.662 -4.694) 5.397 4.996 ( 0.000 1.472 -3.423) 3.726 5.124 ( 0.000 10.855 2.918) 11.240 5.174 ( 0.000 3.179 -0.408) 3.205 5.300 ( 0.000 6.241 0.979) 6.317 5.397 ( 0.000 3.936 -0.584) 3.979 5.491 ( 0.000 1.694 3.160) 3.585 5.559 ( 0.000 -4.802 6.134) 7.790 5.582 ( 0.000 2.475 1.572) 2.932 5.858 ( 0.000 -12.622 -1.190) 12.678 6.173 ( 0.000 18.616 4.010) 19.043 6.279 ( 0.000 25.360 3.511) 25.602 6.406 ( 0.000 22.215 -0.447) 22.219 6.486 ( 0.000 18.538 -2.923) 18.767 6.669 ( 0.000 1.253 -4.526) 4.696 6.950 ( 0.000 -1.471 -3.108) 3.438 7.060 ( 0.000 -1.405 -5.486) 5.663 7.119 ( 0.000 -4.869 -5.741) 7.528 7.310 ( 0.000 3.080 -4.014) 5.060 7.359 ( 0.000 2.067 -10.965) 11.158 7.490 ( 0.000 -3.438 2.093) 4.025 7.637 ( 0.000 -2.682 -2.470) 3.646 8.089 ( 0.000 9.416 2.451) 9.729 8.096 ( 0.000 3.719 -1.803) 4.133 8.346 ( 0.000 9.166 5.776) 10.834 8.397 ( 0.000 16.167 -12.395) 20.372 8.461 ( 0.000 3.762 4.440) 5.820 8.752 ( 0.000 10.819 9.084) 14.127 8.886 ( 0.000 5.350 1.348) 5.517 8.889 ( 0.000 -4.130 -7.172) 8.276 8.949 ( 0.000 3.196 -0.860) 3.310 9.001 ( 0.000 13.191 0.823) 13.217 9.346 ( 0.000 7.723 7.832) 10.999 9.635 ( 0.000 3.074 -3.913) 4.976 9.963 ( 0.000 1.257 1.300) 1.809 10.002 ( 0.000 16.214 7.311) 17.786 10.239 ( 0.000 -7.191 8.379) 11.041 10.321 ( 0.000 8.818 -4.906) 10.091 10.509 ( 0.000 12.757 9.261) 15.764 10.518 ( 0.000 19.046 4.227) 19.509 10.898 ( 0.000 14.805 1.939) 14.932 11.001 ( 0.000 5.992 -9.086) 10.884 11.106 ( 0.000 18.141 -4.430) 18.674 11.346 ( 0.000 12.296 6.635) 13.972 11.394 ( 0.000 23.035 -4.345) 23.442 11.556 ( 0.000 7.938 -9.463) 12.352 11.680 ( 0.000 5.364 -9.000) 10.477 11.792 ( 0.000 7.593 -1.560) 7.752 11.904 ( 0.000 22.841 -0.849) 22.857 12.130 ( 0.000 19.235 -4.558) 19.767 12.459 ( 0.000 -4.324 3.510) 5.569 12.648 ( 0.000 -0.768 -4.438) 4.504 12.712 ( 0.000 -14.532 7.838) 16.511 12.773 ( 0.000 -4.680 2.036) 5.103 12.980 ( 0.000 -9.600 3.256) 10.137 13.158 ( 0.000 0.908 -2.545) 2.703 13.184 ( 0.000 -11.539 8.326) 14.229 13.424 ( 0.000 -13.247 -1.224) 13.304 13.943 ( 0.000 7.902 -9.722) 12.528 14.243 ( 0.000 0.068 -14.899) 14.899 14.572 ( 0.000 1.264 3.024) 3.278 14.625 ( 0.000 -10.498 -7.020) 12.629 14.910 ( 0.000 6.754 0.649) 6.785 15.178 ( 0.000 12.105 -7.313) 14.143 15.306 ( 0.000 0.640 11.298) 11.316 15.788 ( 0.000 -16.387 -2.721) 16.612 16.077 ( 0.000 3.028 -12.086) 12.460 16.195 ( 0.000 -10.022 -7.574) 12.562 16.661 ( 0.000 -15.342 -2.163) 15.494 16.802 ( 0.000 -12.324 -7.138) 14.242 17.222 ( 0.000 4.004 14.440) 14.984 17.546 ( 0.000 -0.490 4.387) 4.414 17.768 ( 0.000 -10.306 8.103) 13.110 17.780 ( 0.000 -6.291 7.070) 9.464 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.571 12.786 11.364) 17.991 2.013 ( 5.789 7.273 9.702) 13.437 2.102 ( 0.697 0.487 7.890) 7.936 2.169 ( -4.787 3.155 2.925) 6.437 2.238 ( 0.987 1.881 2.961) 3.645 2.350 ( 0.427 2.148 1.746) 2.801 2.369 ( -4.844 0.751 0.430) 4.921 2.464 ( -8.964 -0.217 -3.669) 9.688 2.529 ( -1.076 3.490 1.103) 3.815 2.606 ( -4.663 2.145 -0.500) 5.157 2.740 ( 6.985 -2.761 2.977) 8.079 2.810 ( 2.583 -6.678 2.568) 7.607 2.845 ( 0.109 -3.376 -0.108) 3.380 2.945 ( 2.735 1.422 0.961) 3.229 3.020 ( -2.453 2.398 -5.100) 6.147 3.113 ( -0.849 -4.883 2.957) 5.771 3.209 ( -2.143 -1.320 -0.108) 2.519 3.252 ( -1.254 3.334 0.590) 3.611 3.292 ( 4.203 2.698 -1.792) 5.306 3.404 ( -1.718 6.675 -1.174) 6.991 3.475 ( 6.350 0.889 0.134) 6.413 3.579 ( 0.507 -0.069 -3.239) 3.279 3.640 ( 4.283 8.015 2.915) 9.544 3.702 ( 3.954 -8.274 -3.764) 9.913 3.819 ( -0.349 -3.344 3.414) 4.792 3.922 ( -0.567 5.339 -0.233) 5.374 3.952 ( -0.596 -3.729 1.707) 4.144 4.094 ( -8.522 1.040 -3.120) 9.135 4.175 ( -10.951 15.277 9.197) 20.926 4.257 ( -8.634 -2.747 -0.248) 9.064 4.501 ( 4.104 3.875 1.824) 5.931 4.673 ( 5.162 8.376 -1.233) 9.916 4.755 ( 3.866 2.470 -1.609) 4.862 4.852 ( 10.381 -2.406 -0.358) 10.663 4.989 ( 0.905 2.358 -4.161) 4.868 5.002 ( 0.422 2.198 -3.486) 4.143 5.124 ( -1.142 7.441 1.946) 7.776 5.168 ( 0.525 8.360 -0.653) 8.402 5.249 ( -3.854 1.220 2.699) 4.861 5.364 ( -3.373 3.651 -1.045) 5.080 5.475 ( -0.150 2.144 4.003) 4.543 5.538 ( -1.460 0.521 5.223) 5.448 5.660 ( 5.231 -4.032 0.928) 6.670 5.833 ( -2.425 -10.771 -1.493) 11.141 6.200 ( 2.288 18.910 4.860) 19.658 6.268 ( -0.900 24.182 4.162) 24.554 6.403 ( -0.204 22.332 -0.285) 22.335 6.456 ( -2.513 17.921 -0.894) 18.118 6.722 ( 4.986 1.677 -6.115) 8.067 6.922 ( -2.707 -0.347 -3.585) 4.505 7.080 ( 1.886 -1.927 -5.853) 6.444 7.142 ( 1.063 -3.962 -6.199) 7.434 7.312 ( 0.401 2.072 -4.566) 5.030 7.365 ( -0.087 0.766 -6.735) 6.779 7.500 ( 1.434 -4.066 -1.862) 4.696 7.621 ( -1.874 -3.799 -2.887) 5.126 7.985 ( -6.046 8.011 -0.297) 10.041 8.129 ( 4.191 7.652 -0.026) 8.725 8.164 ( -13.916 11.148 0.282) 17.833 8.404 ( 2.244 9.873 4.379) 11.031 8.504 ( 0.533 9.356 -1.535) 9.496 8.722 ( -4.030 4.825 -1.212) 6.403 8.844 ( -3.196 2.101 3.909) 5.469 8.910 ( 1.417 -0.677 -0.022) 1.571 9.063 ( 9.022 13.337 -4.171) 16.633 9.102 ( 7.988 11.995 7.290) 16.150 9.413 ( 6.179 7.007 7.584) 12.033 9.734 ( 0.983 4.494 -3.576) 5.827 9.945 ( 6.925 7.413 5.106) 11.357 10.112 ( 7.237 10.584 -3.266) 13.231 10.275 ( -7.529 9.722 4.596) 13.127 10.358 ( 7.392 2.026 0.849) 7.711 10.460 ( 6.724 6.522 2.319) 9.650 10.643 ( 5.697 14.371 0.506) 15.467 10.830 ( -4.918 7.349 0.169) 8.844 10.947 ( -6.381 5.566 -3.411) 9.129 11.033 ( -6.079 23.294 -0.051) 24.074 11.294 ( -9.562 17.281 -8.912) 21.668 11.322 ( 0.706 12.896 -0.081) 12.915 11.595 ( -2.466 11.644 -0.331) 11.907 11.674 ( 3.971 8.992 -4.924) 10.994 11.760 ( -0.520 12.473 -3.456) 12.954 11.987 ( 4.151 17.501 -1.296) 18.033 12.102 ( -2.144 19.129 -1.631) 19.318 12.436 ( -1.720 -4.066 1.181) 4.570 12.563 ( -10.309 -8.164 5.411) 14.220 12.668 ( 1.203 -2.954 -2.302) 3.933 12.739 ( -2.364 -8.247 3.233) 9.168 13.001 ( 1.919 -11.940 3.462) 12.579 13.133 ( -3.641 -13.201 5.071) 14.603 13.266 ( 6.578 -2.339 -1.490) 7.138 13.412 ( -1.254 -13.135 -1.646) 13.297 13.931 ( -0.210 8.048 -9.004) 12.078 14.124 ( -8.679 3.029 -10.646) 14.065 14.618 ( 2.466 -2.571 -2.524) 4.366 14.635 ( 0.853 -9.299 -6.386) 11.313 14.931 ( 2.128 8.613 2.421) 9.197 15.084 ( -5.047 10.586 2.305) 11.952 15.476 ( 11.089 2.400 0.636) 11.364 15.771 ( -2.203 -11.918 -3.707) 12.674 16.074 ( 0.229 -0.815 -9.067) 9.106 16.167 ( -2.621 -8.083 -6.513) 10.706 16.688 ( 2.513 -15.108 -3.917) 15.808 16.790 ( -1.296 -12.798 -7.245) 14.763 17.274 ( 4.784 2.818 12.889) 14.034 17.502 ( -4.105 -0.150 5.927) 7.211 17.766 ( -0.047 -9.413 8.246) 12.514 17.777 ( -0.292 -7.318 7.309) 10.348 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -11.348 10.270 6.173) 16.503 1.926 ( 11.348 10.270 6.173) 16.503 2.142 ( -1.091 1.572 5.901) 6.203 2.142 ( 1.091 1.572 5.901) 6.203 2.268 ( -3.323 2.140 2.387) 4.617 2.268 ( 3.323 2.140 2.387) 4.617 2.346 ( -1.582 2.222 -0.260) 2.740 2.346 ( 1.582 2.222 -0.260) 2.740 2.546 ( -2.224 2.044 -0.308) 3.036 2.546 ( 2.224 2.044 -0.308) 3.036 2.814 ( -1.739 -3.500 2.691) 4.745 2.814 ( 1.739 -3.500 2.691) 4.745 2.951 ( -5.613 -3.151 -5.061) 8.189 2.951 ( 5.613 -3.151 -5.061) 8.189 3.018 ( -6.031 -4.405 5.904) 9.520 3.018 ( 6.031 -4.405 5.904) 9.520 3.207 ( -2.437 2.268 1.454) 3.633 3.207 ( 2.437 2.268 1.454) 3.633 3.374 ( -2.168 5.868 -3.246) 7.048 3.374 ( 2.168 5.868 -3.246) 7.048 3.566 ( -2.928 -2.802 -0.290) 4.063 3.566 ( 2.928 -2.802 -0.290) 4.063 3.738 ( -2.831 0.491 0.520) 2.920 3.738 ( 2.831 0.491 0.520) 2.920 3.859 ( -1.014 -3.013 0.410) 3.205 3.859 ( 1.014 -3.013 0.410) 3.205 3.965 ( -1.480 8.489 2.231) 8.902 3.965 ( 1.480 8.489 2.231) 8.902 4.095 ( -4.357 3.294 2.949) 6.207 4.095 ( 4.357 3.294 2.949) 6.207 4.617 ( -5.694 7.367 -1.055) 9.371 4.617 ( 5.694 7.367 -1.055) 9.371 4.921 ( -6.832 1.902 -3.289) 7.817 4.921 ( 6.832 1.902 -3.289) 7.817 4.999 ( -1.326 1.362 -3.380) 3.878 4.999 ( 1.326 1.362 -3.380) 3.878 5.129 ( -4.045 5.159 3.681) 7.519 5.129 ( 4.045 5.159 3.681) 7.519 5.269 ( -5.181 2.539 -0.723) 5.815 5.269 ( 5.181 2.539 -0.723) 5.815 5.498 ( -2.060 1.949 4.741) 5.524 5.498 ( 2.060 1.949 4.741) 5.524 5.762 ( -4.434 -7.844 -0.872) 9.052 5.762 ( 4.434 -7.844 -0.872) 9.052 6.244 ( -1.632 21.430 5.340) 22.146 6.244 ( 1.632 21.430 5.340) 22.146 6.411 ( -1.352 20.092 -0.026) 20.137 6.411 ( 1.352 20.092 -0.026) 20.137 6.839 ( -5.436 0.938 -5.299) 7.649 6.839 ( 5.436 0.938 -5.299) 7.649 7.128 ( -2.292 -2.448 -6.592) 7.397 7.128 ( 2.292 -2.448 -6.592) 7.397 7.337 ( -1.995 -0.062 -4.429) 4.858 7.337 ( 1.995 -0.062 -4.429) 4.858 7.559 ( -3.749 -4.702 -4.942) 7.784 7.559 ( 3.749 -4.702 -4.942) 7.784 7.962 ( -4.717 11.503 2.715) 12.726 7.962 ( 4.717 11.503 2.715) 12.726 8.272 ( -9.429 4.548 -2.751) 10.823 8.272 ( 9.429 4.548 -2.751) 10.823 8.616 ( -8.051 14.853 6.040) 17.942 8.616 ( 8.051 14.853 6.040) 17.942 8.878 ( -4.056 -2.629 2.384) 5.390 8.878 ( 4.056 -2.629 2.384) 5.390 9.164 ( -3.552 12.732 -2.374) 13.429 9.164 ( 3.552 12.732 -2.374) 13.429 9.625 ( -10.950 7.005 6.847) 14.693 9.625 ( 10.950 7.005 6.847) 14.693 10.084 ( -8.122 11.476 5.065) 14.944 10.084 ( 8.122 11.476 5.065) 14.944 10.360 ( -9.325 10.226 -10.598) 17.431 10.360 ( 9.325 10.226 -10.598) 17.431 10.658 ( -5.042 7.268 -4.911) 10.117 10.658 ( 5.042 7.268 -4.911) 10.117 10.798 ( -5.777 1.277 4.480) 7.421 10.798 ( 5.777 1.277 4.480) 7.421 11.037 ( -9.514 17.341 -1.598) 19.844 11.037 ( 9.514 17.341 -1.598) 19.844 11.458 ( -8.759 16.754 -1.148) 18.940 11.458 ( 8.759 16.754 -1.148) 18.940 11.749 ( -1.681 11.526 -2.633) 11.942 11.749 ( 1.681 11.526 -2.633) 11.942 12.051 ( -2.837 16.568 0.255) 16.811 12.051 ( 2.837 16.568 0.255) 16.811 12.425 ( -2.131 -5.925 1.788) 6.545 12.425 ( 2.131 -5.925 1.788) 6.545 12.697 ( -1.626 -4.967 1.187) 5.360 12.697 ( 1.626 -4.967 1.187) 5.360 13.055 ( -3.423 -14.323 3.771) 15.202 13.055 ( 3.423 -14.323 3.771) 15.202 13.369 ( -3.274 -9.417 -2.527) 10.285 13.369 ( 3.274 -9.417 -2.527) 10.285 13.975 ( -4.979 7.083 -8.231) 11.946 13.975 ( 4.979 7.083 -8.231) 11.946 14.644 ( -0.315 -6.988 -5.959) 9.190 14.644 ( 0.315 -6.988 -5.959) 9.190 14.994 ( -3.873 10.811 4.413) 12.302 14.994 ( 3.873 10.811 4.413) 12.302 15.675 ( -7.506 -2.243 -3.802) 8.708 15.675 ( 7.506 -2.243 -3.802) 8.708 16.105 ( -2.796 -6.038 -5.684) 8.751 16.105 ( 2.796 -6.038 -5.684) 8.751 16.747 ( -2.815 -13.945 -6.434) 15.614 16.747 ( 2.815 -13.945 -6.434) 15.614 17.393 ( -6.195 0.895 9.393) 11.288 17.393 ( 6.195 0.895 9.393) 11.288 17.770 ( -0.354 -8.414 7.972) 11.596 17.770 ( 0.354 -8.414 7.972) 11.596 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 9.214 7.647) 11.974 2.037 ( 0.000 -4.001 5.675) 6.943 2.124 ( 0.000 7.384 6.587) 9.895 2.211 ( 0.000 -1.892 3.514) 3.991 2.305 ( 0.000 4.726 4.702) 6.667 2.358 ( 0.000 0.128 1.958) 1.962 2.440 ( 0.000 0.990 4.094) 4.212 2.527 ( 0.000 -6.942 4.991) 8.550 2.563 ( 0.000 3.780 -0.110) 3.782 2.595 ( 0.000 1.390 0.319) 1.426 2.673 ( 0.000 -2.785 6.975) 7.511 2.738 ( 0.000 -6.466 5.323) 8.375 2.856 ( 0.000 2.979 0.652) 3.050 2.925 ( 0.000 -3.855 3.845) 5.445 2.965 ( 0.000 2.867 1.090) 3.067 3.084 ( 0.000 -5.726 -1.038) 5.820 3.213 ( 0.000 2.244 -7.388) 7.721 3.221 ( 0.000 1.390 -6.112) 6.268 3.386 ( 0.000 0.569 -4.588) 4.623 3.427 ( 0.000 0.628 -4.115) 4.163 3.456 ( 0.000 -2.938 -4.444) 5.328 3.508 ( 0.000 -1.314 -1.744) 2.184 3.572 ( 0.000 4.900 -2.700) 5.595 3.659 ( 0.000 -3.576 -2.771) 4.524 3.793 ( 0.000 -0.689 3.735) 3.798 3.849 ( 0.000 -4.527 4.446) 6.345 4.195 ( 0.000 7.966 -5.202) 9.514 4.264 ( 0.000 -0.546 -6.927) 6.949 4.433 ( 0.000 11.556 9.034) 14.668 4.509 ( 0.000 -0.642 4.909) 4.951 4.555 ( 0.000 2.578 6.038) 6.566 4.564 ( 0.000 4.855 2.337) 5.388 4.611 ( 0.000 4.844 2.098) 5.279 4.819 ( 0.000 -4.969 -1.168) 5.104 5.017 ( 0.000 0.881 -3.832) 3.932 5.024 ( 0.000 1.457 -4.954) 5.164 5.200 ( 0.000 2.174 2.133) 3.045 5.251 ( 0.000 1.855 1.713) 2.525 5.374 ( 0.000 -4.430 0.077) 4.431 5.375 ( 0.000 -0.194 -0.783) 0.807 5.504 ( 0.000 3.809 2.492) 4.552 5.547 ( 0.000 0.802 2.251) 2.389 5.556 ( 0.000 -3.082 1.583) 3.464 5.632 ( 0.000 -8.002 0.603) 8.025 6.475 ( 0.000 11.141 3.087) 11.561 6.604 ( 0.000 -2.561 2.175) 3.360 6.682 ( 0.000 12.966 3.631) 13.465 6.722 ( 0.000 8.369 2.866) 8.847 6.895 ( 0.000 13.066 -8.198) 15.425 6.952 ( 0.000 3.119 -3.629) 4.785 7.018 ( 0.000 -5.068 -5.281) 7.320 7.039 ( 0.000 -1.402 -4.848) 5.047 7.349 ( 0.000 -1.149 -8.674) 8.749 7.354 ( 0.000 0.908 -8.193) 8.244 7.414 ( 0.000 -1.813 3.179) 3.659 7.511 ( 0.000 -8.329 -1.708) 8.503 8.167 ( 0.000 2.849 -2.065) 3.519 8.185 ( 0.000 1.415 0.597) 1.536 8.457 ( 0.000 3.008 3.514) 4.626 8.489 ( 0.000 -0.492 4.920) 4.945 8.600 ( 0.000 7.824 -10.687) 13.245 8.756 ( 0.000 -7.776 -10.144) 12.781 8.960 ( 0.000 3.990 4.123) 5.738 8.982 ( 0.000 0.739 0.394) 0.837 9.060 ( 0.000 10.794 2.486) 11.076 9.156 ( 0.000 1.033 5.811) 5.902 9.537 ( 0.000 11.867 3.842) 12.474 9.713 ( 0.000 -1.354 -3.603) 3.849 9.935 ( 0.000 2.238 9.547) 9.806 10.080 ( 0.000 -8.880 9.422) 12.947 10.244 ( 0.000 8.339 5.233) 9.845 10.345 ( 0.000 -2.444 -0.537) 2.503 10.763 ( 0.000 11.515 13.481) 17.729 10.850 ( 0.000 6.337 10.012) 11.849 11.075 ( 0.000 4.255 -7.221) 8.381 11.093 ( 0.000 2.542 -12.564) 12.818 11.447 ( 0.000 14.650 -8.788) 17.083 11.551 ( 0.000 6.388 -10.778) 12.529 11.717 ( 0.000 6.755 6.857) 9.626 11.734 ( 0.000 9.224 -5.727) 10.858 11.805 ( 0.000 6.514 -11.974) 13.631 11.869 ( 0.000 0.131 0.820) 0.831 12.340 ( 0.000 10.725 2.187) 10.946 12.381 ( 0.000 -1.404 3.122) 3.423 12.423 ( 0.000 2.148 1.471) 2.603 12.482 ( 0.000 2.864 6.767) 7.348 12.537 ( 0.000 -7.356 -4.813) 8.791 12.737 ( 0.000 0.446 -1.197) 1.278 12.866 ( 0.000 -1.234 -0.176) 1.247 13.011 ( 0.000 0.624 9.161) 9.182 13.098 ( 0.000 -9.946 -4.707) 11.004 13.160 ( 0.000 -12.065 3.800) 12.649 14.118 ( 0.000 9.588 -8.680) 12.934 14.258 ( 0.000 -0.879 -10.859) 10.895 14.426 ( 0.000 -5.894 -11.077) 12.547 14.492 ( 0.000 -7.318 -10.038) 12.423 15.123 ( 0.000 13.979 7.262) 15.753 15.372 ( 0.000 0.109 -0.615) 0.625 15.409 ( 0.000 7.469 4.584) 8.763 15.481 ( 0.000 -9.062 0.524) 9.077 16.001 ( 0.000 -7.294 -5.867) 9.361 16.028 ( 0.000 -7.442 -9.514) 12.079 16.499 ( 0.000 0.350 -7.076) 7.085 16.598 ( 0.000 -8.213 -9.563) 12.606 17.349 ( 0.000 8.884 12.884) 15.650 17.551 ( 0.000 -10.143 10.273) 14.437 17.572 ( 0.000 1.830 6.112) 6.380 17.658 ( 0.000 -5.736 6.857) 8.940 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 4.721 8.546 4.965) 10.953 2.065 ( 2.680 -3.321 3.567) 5.562 2.130 ( -0.139 4.710 4.676) 6.639 2.190 ( -1.884 -1.447 2.970) 3.803 2.314 ( 0.888 4.605 6.228) 7.797 2.358 ( -0.427 0.330 4.272) 4.306 2.434 ( 0.103 4.150 0.536) 4.186 2.491 ( -6.312 1.530 0.199) 6.498 2.561 ( -1.364 -0.090 1.985) 2.410 2.608 ( 4.513 -7.820 4.469) 10.074 2.690 ( -0.431 2.852 5.905) 6.572 2.740 ( 0.169 1.485 5.431) 5.633 2.780 ( -1.005 -1.516 2.264) 2.904 2.893 ( -2.261 -8.034 1.898) 8.559 2.958 ( -1.691 -0.629 1.483) 2.335 3.012 ( -5.039 -5.065 0.147) 7.146 3.260 ( 3.422 2.344 -3.900) 5.694 3.272 ( 1.591 1.717 -4.909) 5.439 3.382 ( 0.214 3.608 -3.356) 4.933 3.453 ( 1.807 0.397 -5.252) 5.569 3.498 ( 1.633 -0.509 -2.939) 3.401 3.564 ( 4.737 -4.453 -2.842) 7.095 3.572 ( 0.378 1.704 -4.233) 4.579 3.644 ( -0.071 -3.481 -1.858) 3.947 3.777 ( 0.474 0.800 4.212) 4.313 3.848 ( 0.053 -5.406 3.594) 6.492 4.068 ( -9.515 3.481 -3.379) 10.680 4.129 ( -10.271 -2.444 -3.567) 11.144 4.424 ( 0.209 17.231 7.576) 18.824 4.503 ( -2.254 17.153 5.305) 18.096 4.566 ( 6.040 1.075 3.938) 7.290 4.724 ( 9.389 -0.242 0.055) 9.392 4.767 ( 5.820 -5.530 -0.019) 8.028 4.808 ( 3.303 -2.171 -0.440) 3.977 5.012 ( -0.747 1.108 -4.285) 4.489 5.041 ( 0.434 -0.380 -5.340) 5.371 5.189 ( -1.002 2.321 2.271) 3.398 5.242 ( -1.398 2.535 1.980) 3.507 5.283 ( -4.887 -0.941 1.420) 5.175 5.353 ( -3.530 -5.102 -0.162) 6.206 5.509 ( 0.665 3.497 2.315) 4.246 5.533 ( 0.068 0.607 2.021) 2.111 5.592 ( 1.395 -2.723 1.066) 3.240 5.634 ( -0.199 -7.355 0.382) 7.368 6.505 ( 2.774 11.025 3.507) 11.897 6.626 ( 1.886 -1.293 2.301) 3.244 6.637 ( -3.082 12.032 3.696) 12.958 6.713 ( -1.485 5.926 3.333) 6.960 6.899 ( 1.133 13.107 -6.279) 14.578 6.959 ( 0.225 5.581 -4.343) 7.075 7.047 ( 1.068 -1.844 -4.549) 5.023 7.065 ( 2.755 -4.307 -4.977) 7.135 7.336 ( -0.949 0.398 -7.041) 7.115 7.356 ( -0.528 0.418 -7.378) 7.409 7.397 ( -0.814 -4.346 -0.433) 4.443 7.482 ( -2.691 -8.640 -2.863) 9.492 8.125 ( -1.585 5.810 -0.182) 6.025 8.195 ( 1.325 -0.712 0.210) 1.519 8.337 ( -9.638 7.506 -1.057) 12.261 8.452 ( -6.555 -3.322 0.520) 7.367 8.645 ( 5.943 5.424 -4.731) 9.334 8.734 ( 1.083 -3.172 -6.793) 7.575 8.895 ( -2.188 2.221 6.168) 6.911 8.909 ( -1.108 0.522 5.315) 5.454 9.321 ( 12.743 10.107 0.270) 16.267 9.352 ( 10.565 7.962 5.898) 14.484 9.542 ( 1.424 7.562 4.672) 9.002 9.713 ( -1.122 -6.700 -2.739) 7.325 10.053 ( 12.487 5.859 5.536) 14.863 10.170 ( 8.189 -4.277 -0.412) 9.248 10.346 ( 8.226 3.214 2.699) 9.234 10.409 ( 7.325 -0.442 2.248) 7.675 10.625 ( -9.593 11.950 10.126) 18.367 10.812 ( -5.966 -4.439 9.105) 11.756 10.977 ( -7.595 7.669 -10.019) 14.727 11.022 ( -9.226 1.796 -8.524) 12.689 11.480 ( 0.568 17.735 -4.328) 18.265 11.505 ( -3.380 11.633 -8.438) 14.763 11.640 ( -1.415 9.127 -0.687) 9.261 11.726 ( -2.307 1.270 -4.373) 5.105 11.875 ( 7.789 8.604 -0.435) 11.614 11.940 ( 4.292 2.825 -1.679) 5.406 12.287 ( -6.379 3.709 5.220) 9.039 12.371 ( -0.426 0.767 0.341) 0.941 12.392 ( -4.945 1.426 5.205) 7.320 12.434 ( -4.334 9.335 3.485) 10.866 12.563 ( 2.823 -10.745 -3.825) 11.750 12.723 ( 0.195 13.871 -2.705) 14.133 12.802 ( -3.824 -16.049 3.322) 16.830 12.922 ( -5.411 2.169 3.281) 6.690 13.106 ( -0.952 -14.576 -3.390) 14.995 13.143 ( -1.486 -12.291 1.469) 12.467 14.128 ( 1.663 12.042 -8.665) 14.928 14.253 ( -1.819 7.854 -11.288) 13.871 14.415 ( 0.425 -11.104 -8.908) 14.242 14.486 ( -1.078 -9.674 -10.376) 14.227 15.162 ( 3.363 14.114 6.931) 16.080 15.313 ( -3.383 11.797 3.576) 12.783 15.467 ( 2.768 -13.480 2.643) 14.012 15.511 ( 1.761 -5.912 -0.597) 6.197 16.027 ( 5.116 1.795 -6.241) 8.267 16.135 ( 6.622 -2.816 -10.464) 12.699 16.453 ( -3.701 -4.279 -6.841) 8.877 16.553 ( -4.286 -10.568 -9.775) 15.020 17.382 ( 3.028 7.913 12.015) 14.702 17.538 ( -2.986 3.696 7.223) 8.646 17.566 ( 1.277 -10.333 10.077) 14.489 17.641 ( -1.576 -6.496 7.559) 10.090 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -5.508 4.692 1.569) 7.404 2.077 ( 5.508 4.692 1.569) 7.404 2.135 ( -3.547 -1.820 2.072) 4.493 2.135 ( 3.547 -1.820 2.072) 4.493 2.345 ( -3.369 5.818 5.462) 8.662 2.345 ( 3.369 5.818 5.462) 8.662 2.399 ( -2.733 1.267 2.978) 4.236 2.399 ( 2.733 1.267 2.978) 4.236 2.602 ( -4.337 3.350 1.976) 5.826 2.602 ( 4.337 3.350 1.976) 5.826 2.714 ( -4.558 -7.523 4.195) 9.745 2.714 ( 4.558 -7.523 4.195) 9.745 2.849 ( -5.352 -0.361 2.359) 5.860 2.849 ( 5.352 -0.361 2.359) 5.860 2.929 ( -2.154 -5.958 3.024) 7.020 2.929 ( 2.154 -5.958 3.024) 7.020 3.296 ( -0.762 6.309 -2.815) 6.950 3.296 ( 0.762 6.309 -2.815) 6.950 3.409 ( -3.540 -3.730 -3.430) 6.181 3.409 ( 3.540 -3.730 -3.430) 6.181 3.550 ( -1.609 3.090 -2.051) 4.043 3.550 ( 1.609 3.090 -2.051) 4.043 3.648 ( -1.416 -6.092 -3.510) 7.172 3.648 ( 1.416 -6.092 -3.510) 7.172 3.865 ( -6.660 2.484 0.349) 7.117 3.865 ( 6.660 2.484 0.349) 7.117 3.932 ( -6.432 -4.129 -0.093) 7.644 3.932 ( 6.432 -4.129 -0.093) 7.644 4.455 ( -2.318 20.364 6.073) 21.376 4.455 ( 2.318 20.364 6.073) 21.376 4.691 ( -5.597 -2.016 1.488) 6.132 4.691 ( 5.597 -2.016 1.488) 6.132 4.934 ( -7.803 0.353 -3.200) 8.441 4.934 ( 7.803 0.353 -3.200) 8.441 4.980 ( -7.020 -3.809 -3.440) 8.696 4.980 ( 7.020 -3.809 -3.440) 8.696 5.181 ( -1.302 3.929 2.717) 4.952 5.181 ( 1.302 3.929 2.717) 4.952 5.280 ( -2.732 -3.828 1.037) 4.816 5.280 ( 2.732 -3.828 1.037) 4.816 5.527 ( -0.868 2.958 2.081) 3.719 5.527 ( 0.868 2.958 2.081) 3.719 5.617 ( -1.231 -5.930 0.351) 6.067 5.617 ( 1.231 -5.930 0.351) 6.067 6.571 ( -3.358 11.202 4.033) 12.370 6.571 ( 3.358 11.202 4.033) 12.370 6.671 ( -2.365 2.338 2.943) 4.441 6.671 ( 2.365 2.338 2.943) 4.441 6.939 ( -2.122 10.289 -4.740) 11.525 6.939 ( 2.122 10.289 -4.740) 11.525 7.080 ( -1.343 -3.163 -4.339) 5.535 7.080 ( 1.343 -3.163 -4.339) 5.535 7.330 ( -0.842 0.686 -5.048) 5.164 7.330 ( 0.842 0.686 -5.048) 5.164 7.420 ( -2.715 -7.929 -5.069) 9.795 7.420 ( 2.715 -7.929 -5.069) 9.795 8.163 ( -5.799 8.562 -0.308) 10.345 8.163 ( 5.799 8.562 -0.308) 10.345 8.283 ( -7.380 -3.215 -1.717) 8.230 8.283 ( 7.380 -3.215 -1.717) 8.230 8.794 ( -6.281 4.389 1.724) 7.854 8.794 ( 6.281 4.389 1.724) 7.854 8.841 ( -5.272 -1.410 2.213) 5.889 8.841 ( 5.272 -1.410 2.213) 5.889 9.449 ( -2.204 14.009 1.932) 14.312 9.449 ( 2.204 14.009 1.932) 14.312 9.646 ( -6.223 -5.167 4.397) 9.206 9.646 ( 6.223 -5.167 4.397) 9.206 10.294 ( -9.102 10.758 3.687) 14.566 10.294 ( 9.102 10.758 3.687) 14.566 10.445 ( -9.788 -2.383 -7.475) 12.544 10.445 ( 9.788 -2.383 -7.475) 12.544 10.721 ( -16.882 1.850 -0.963) 17.010 10.721 ( 16.882 1.850 -0.963) 17.010 10.775 ( -9.063 -2.893 2.200) 9.765 10.775 ( 9.063 -2.893 2.200) 9.765 11.464 ( -0.544 21.277 -2.547) 21.436 11.464 ( 0.544 21.277 -2.547) 21.436 11.680 ( -2.820 1.751 -3.900) 5.121 11.680 ( 2.820 1.751 -3.900) 5.121 12.021 ( -0.637 12.804 1.022) 12.860 12.021 ( 0.637 12.804 1.022) 12.860 12.186 ( -4.103 -4.697 7.096) 9.447 12.186 ( 4.103 -4.697 7.096) 9.447 12.397 ( -1.198 7.172 -0.851) 7.321 12.397 ( 1.198 7.172 -0.851) 7.321 12.653 ( -5.696 -9.605 -1.731) 11.300 12.653 ( 5.696 -9.605 -1.731) 11.300 12.829 ( -4.583 3.866 1.839) 6.272 12.829 ( 4.583 3.866 1.839) 6.272 13.104 ( -1.537 -16.324 -2.035) 16.522 13.104 ( 1.537 -16.324 -2.035) 16.522 14.187 ( -3.705 13.323 -9.675) 16.877 14.187 ( 3.705 13.323 -9.675) 16.877 14.449 ( -2.218 -12.448 -9.353) 15.727 14.449 ( 2.218 -12.448 -9.353) 15.727 15.239 ( -3.874 13.823 5.740) 15.460 15.239 ( 3.874 13.823 5.740) 15.460 15.512 ( -1.479 -13.072 1.050) 13.197 15.512 ( 1.479 -13.072 1.050) 13.197 16.166 ( -5.497 10.971 -8.616) 14.994 16.166 ( 5.497 10.971 -8.616) 14.994 16.446 ( -4.639 -16.034 -8.810) 18.875 16.446 ( 4.639 -16.034 -8.810) 18.875 17.460 ( -4.209 5.719 9.802) 12.104 17.460 ( 4.209 5.719 9.802) 12.104 17.602 ( -2.023 -8.351 9.017) 12.455 17.602 ( 2.023 -8.351 9.017) 12.455 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.000 19.319) 19.319 1.778 ( 0.000 0.000 22.062) 22.062 1.801 ( 0.000 0.000 -13.176) 13.176 2.095 ( 0.000 0.000 9.235) 9.235 2.122 ( 0.000 0.000 -9.647) 9.647 2.221 ( 0.000 0.000 -2.550) 2.550 2.378 ( 0.000 0.000 5.495) 5.495 2.402 ( 0.000 0.000 1.304) 1.304 2.450 ( 0.000 0.000 6.878) 6.878 2.571 ( 0.000 0.000 0.114) 0.114 2.615 ( 0.000 0.000 -3.408) 3.408 2.654 ( 0.000 0.000 -7.534) 7.534 2.655 ( 0.000 0.000 -0.835) 0.835 2.736 ( 0.000 0.000 -7.008) 7.008 2.811 ( 0.000 0.000 15.650) 15.650 2.972 ( 0.000 0.000 3.678) 3.678 3.079 ( 0.000 0.000 -9.358) 9.358 3.081 ( 0.000 0.000 -6.874) 6.874 3.156 ( 0.000 0.000 9.773) 9.773 3.194 ( 0.000 0.000 0.970) 0.970 3.317 ( 0.000 0.000 4.169) 4.169 3.595 ( 0.000 0.000 -9.394) 9.394 3.735 ( 0.000 0.000 6.771) 6.771 3.829 ( 0.000 0.000 -1.011) 1.011 3.957 ( 0.000 0.000 -2.228) 2.228 3.987 ( 0.000 0.000 5.189) 5.189 4.019 ( 0.000 0.000 1.593) 1.593 4.031 ( 0.000 0.000 -12.608) 12.608 4.096 ( 0.000 0.000 -2.317) 2.317 4.123 ( 0.000 0.000 1.591) 1.591 4.134 ( 0.000 0.000 0.212) 0.212 4.146 ( 0.000 0.000 -6.238) 6.238 4.577 ( 0.000 0.000 3.490) 3.490 4.605 ( 0.000 0.000 2.268) 2.268 4.611 ( 0.000 0.000 0.765) 0.765 4.663 ( 0.000 0.000 -3.059) 3.059 4.845 ( 0.000 0.000 4.216) 4.216 4.860 ( 0.000 0.000 0.065) 0.065 4.979 ( 0.000 0.000 -0.777) 0.777 4.999 ( 0.000 0.000 1.685) 1.685 5.395 ( 0.000 0.000 -1.491) 1.491 5.417 ( 0.000 0.000 3.724) 3.724 5.418 ( 0.000 0.000 -0.852) 0.852 5.522 ( 0.000 0.000 -6.615) 6.615 5.662 ( 0.000 0.000 0.975) 0.975 5.685 ( 0.000 0.000 -0.497) 0.497 5.792 ( 0.000 0.000 8.865) 8.865 5.975 ( 0.000 0.000 -8.658) 8.658 6.677 ( 0.000 0.000 12.798) 12.798 6.835 ( 0.000 0.000 -2.495) 2.495 6.981 ( 0.000 0.000 2.479) 2.479 7.079 ( 0.000 0.000 -6.246) 6.246 7.119 ( 0.000 0.000 0.856) 0.856 7.175 ( 0.000 0.000 -5.078) 5.078 7.204 ( 0.000 0.000 12.359) 12.359 7.387 ( 0.000 0.000 -7.980) 7.980 7.707 ( 0.000 0.000 2.618) 2.618 7.752 ( 0.000 0.000 3.973) 3.973 7.882 ( 0.000 0.000 -7.723) 7.723 7.904 ( 0.000 0.000 -11.998) 11.998 8.310 ( 0.000 0.000 4.662) 4.662 8.356 ( 0.000 0.000 1.242) 1.242 8.602 ( 0.000 0.000 4.136) 4.136 8.699 ( 0.000 0.000 -3.019) 3.019 8.881 ( 0.000 0.000 5.905) 5.905 8.954 ( 0.000 0.000 -1.600) 1.600 9.054 ( 0.000 0.000 3.427) 3.427 9.118 ( 0.000 0.000 2.129) 2.129 9.131 ( 0.000 0.000 -6.305) 6.305 9.173 ( 0.000 0.000 -2.928) 2.928 9.993 ( 0.000 0.000 1.416) 1.416 10.054 ( 0.000 0.000 -5.168) 5.168 10.093 ( 0.000 0.000 3.561) 3.561 10.207 ( 0.000 0.000 -6.472) 6.472 10.487 ( 0.000 0.000 4.796) 4.796 10.601 ( 0.000 0.000 -4.074) 4.074 10.884 ( 0.000 0.000 -2.111) 2.111 10.908 ( 0.000 0.000 6.172) 6.172 10.920 ( 0.000 0.000 4.617) 4.617 10.972 ( 0.000 0.000 -8.371) 8.371 11.216 ( 0.000 0.000 2.150) 2.150 11.332 ( 0.000 0.000 -8.713) 8.713 11.361 ( 0.000 0.000 1.729) 1.729 11.413 ( 0.000 0.000 -3.339) 3.339 12.766 ( 0.000 0.000 3.936) 3.936 12.782 ( 0.000 0.000 2.512) 2.512 12.804 ( 0.000 0.000 0.297) 0.297 12.829 ( 0.000 0.000 -2.085) 2.085 13.304 ( 0.000 0.000 8.091) 8.091 13.401 ( 0.000 0.000 -2.324) 2.324 13.665 ( 0.000 0.000 15.293) 15.293 13.996 ( 0.000 0.000 4.853) 4.853 14.013 ( 0.000 0.000 -15.796) 15.796 14.085 ( 0.000 0.000 9.630) 9.630 14.090 ( 0.000 0.000 -4.310) 4.310 14.319 ( 0.000 0.000 -15.090) 15.090 14.830 ( 0.000 0.000 -0.844) 0.844 14.862 ( 0.000 0.000 -3.186) 3.186 15.788 ( 0.000 0.000 15.081) 15.081 16.088 ( 0.000 0.000 -13.747) 13.747 16.102 ( 0.000 0.000 10.980) 10.980 16.330 ( 0.000 0.000 -10.762) 10.762 17.212 ( 0.000 0.000 1.676) 1.676 17.238 ( 0.000 0.000 -1.269) 1.269 17.516 ( 0.000 0.000 6.956) 6.956 17.641 ( 0.000 0.000 -4.998) 4.998 18.111 ( 0.000 0.000 4.368) 4.368 18.158 ( 0.000 0.000 -0.140) 0.140 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.409 0.000 17.819) 18.356 1.767 ( -4.349 0.000 -2.388) 4.962 1.780 ( 1.682 0.000 22.722) 22.785 2.029 ( -2.041 0.000 0.445) 2.089 2.096 ( -4.864 0.000 1.727) 5.162 2.183 ( -4.938 0.000 -8.998) 10.263 2.262 ( -7.655 0.000 -4.932) 9.106 2.381 ( -3.274 0.000 2.528) 4.136 2.391 ( -1.967 0.000 1.469) 2.455 2.416 ( -6.852 0.000 -7.248) 9.974 2.679 ( 4.565 0.000 0.259) 4.573 2.696 ( 5.644 0.000 5.943) 8.196 2.727 ( 4.526 0.000 -2.871) 5.360 2.851 ( 7.523 0.000 -8.326) 11.221 2.923 ( 2.556 0.000 6.309) 6.807 2.937 ( -3.467 0.000 4.732) 5.866 3.033 ( -3.412 0.000 -4.249) 5.450 3.058 ( -2.234 0.000 -7.104) 7.447 3.252 ( 11.786 0.000 9.734) 15.286 3.323 ( 7.523 0.000 -2.734) 8.004 3.384 ( 7.599 0.000 12.101) 14.289 3.669 ( 4.927 0.000 -2.728) 5.632 3.739 ( 0.556 0.000 6.444) 6.468 3.824 ( -2.133 0.000 -1.056) 2.380 3.840 ( -8.053 0.000 -1.628) 8.216 3.898 ( -1.130 0.000 4.542) 4.680 3.949 ( -3.483 0.000 -11.875) 12.375 4.003 ( -3.841 0.000 -5.559) 6.757 4.167 ( 1.092 0.000 2.842) 3.045 4.172 ( 6.460 0.000 2.822) 7.050 4.218 ( 3.252 0.000 -4.871) 5.857 4.230 ( 4.292 0.000 -2.766) 5.106 4.354 ( -14.213 0.000 12.857) 19.165 4.540 ( -7.658 0.000 -4.841) 9.060 4.582 ( -1.550 0.000 1.381) 2.076 4.633 ( -2.654 0.000 -3.201) 4.159 4.866 ( 2.465 0.000 3.219) 4.054 4.899 ( 0.741 0.000 0.403) 0.844 4.951 ( 0.559 0.000 -3.736) 3.777 5.009 ( -1.760 0.000 -6.587) 6.818 5.414 ( 2.384 0.000 1.885) 3.039 5.444 ( 0.880 0.000 -0.104) 0.886 5.454 ( 3.320 0.000 4.325) 5.452 5.541 ( 0.863 0.000 -3.103) 3.221 5.673 ( 1.389 0.000 2.287) 2.675 5.708 ( 1.246 0.000 -0.543) 1.359 5.821 ( 2.917 0.000 4.279) 5.178 5.956 ( -1.931 0.000 -7.467) 7.712 6.678 ( 0.430 0.000 10.337) 10.346 6.790 ( -3.860 0.000 0.524) 3.895 6.998 ( 1.659 0.000 2.990) 3.420 7.095 ( -2.024 0.000 1.174) 2.340 7.102 ( 1.852 0.000 -5.862) 6.148 7.169 ( -0.747 0.000 -5.592) 5.642 7.200 ( 0.369 0.000 4.277) 4.293 7.351 ( -4.461 0.000 -9.665) 10.645 7.740 ( 5.107 0.000 10.078) 11.298 7.815 ( 6.150 0.000 2.877) 6.790 7.917 ( 3.545 0.000 -6.201) 7.143 7.948 ( 2.170 0.000 -5.425) 5.843 8.204 ( -8.930 0.000 2.562) 9.290 8.235 ( -10.063 0.000 0.218) 10.065 8.540 ( -3.933 0.000 2.900) 4.887 8.695 ( -3.466 0.000 -8.562) 9.237 8.927 ( 4.951 0.000 3.235) 5.914 8.967 ( 3.131 0.000 -0.955) 3.274 9.113 ( -1.073 0.000 2.693) 2.899 9.123 ( 5.958 0.000 4.729) 7.606 9.160 ( -1.968 0.000 -1.656) 2.572 9.210 ( 5.121 0.000 -3.403) 6.149 9.919 ( -4.613 0.000 3.006) 5.506 10.013 ( -4.702 0.000 -6.544) 8.058 10.143 ( 5.969 0.000 7.759) 9.789 10.321 ( 9.877 0.000 -8.731) 13.183 10.515 ( 3.280 0.000 3.216) 4.593 10.623 ( 1.421 0.000 -6.270) 6.429 10.671 ( -15.521 0.000 11.513) 19.325 10.853 ( -10.568 0.000 -5.456) 11.894 10.855 ( -2.087 0.000 -0.482) 2.142 10.934 ( -3.482 0.000 -6.988) 7.808 11.234 ( 1.566 0.000 2.751) 3.165 11.295 ( -1.456 0.000 -1.860) 2.362 11.416 ( 2.371 0.000 -2.631) 3.541 11.431 ( 1.226 0.000 -2.973) 3.216 12.839 ( 5.697 0.000 4.692) 7.380 12.841 ( 3.325 0.000 1.389) 3.603 12.875 ( 2.955 0.000 -1.843) 3.483 12.878 ( 8.039 0.000 0.836) 8.082 13.246 ( -4.281 0.000 7.898) 8.984 13.354 ( -4.605 0.000 -2.974) 5.482 13.723 ( 4.932 0.000 13.813) 14.667 13.963 ( -4.925 0.000 3.802) 6.222 13.999 ( 0.494 0.000 3.338) 3.374 14.068 ( -1.984 0.000 -3.318) 3.866 14.101 ( 2.281 0.000 -9.894) 10.153 14.273 ( -4.210 0.000 -16.085) 16.627 14.833 ( 1.031 0.000 1.363) 1.709 14.877 ( 0.421 0.000 -2.409) 2.446 15.794 ( 0.829 0.000 11.482) 11.512 15.931 ( -6.389 0.000 1.002) 6.467 16.294 ( 8.974 0.000 -3.357) 9.581 16.377 ( 3.547 0.000 -8.468) 9.181 17.163 ( -3.701 0.000 0.977) 3.828 17.179 ( -4.427 0.000 -0.864) 4.511 17.563 ( 3.424 0.000 5.131) 6.168 17.644 ( -0.111 0.000 -2.508) 2.510 18.122 ( 0.971 0.000 3.608) 3.736 18.155 ( -0.309 0.000 0.483) 0.573 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -7.331 0.000 12.537) 14.523 1.633 ( 7.331 0.000 12.537) 14.523 1.897 ( -9.898 0.000 18.811) 21.256 1.897 ( 9.898 0.000 18.811) 21.256 2.069 ( -4.899 0.000 -10.265) 11.374 2.069 ( 4.899 0.000 -10.265) 11.374 2.256 ( -4.677 0.000 -13.882) 14.649 2.256 ( 4.677 0.000 -13.882) 14.649 2.378 ( -0.209 0.000 2.172) 2.182 2.378 ( 0.209 0.000 2.172) 2.182 2.760 ( -2.252 0.000 -0.814) 2.394 2.760 ( 2.252 0.000 -0.814) 2.394 2.832 ( -6.516 0.000 6.761) 9.390 2.832 ( 6.516 0.000 6.761) 9.390 2.955 ( -3.173 0.000 -0.657) 3.240 2.955 ( 3.173 0.000 -0.657) 3.240 2.985 ( -5.140 0.000 -7.794) 9.336 2.985 ( 5.140 0.000 -7.794) 9.336 3.408 ( -1.051 0.000 -2.322) 2.549 3.408 ( 1.051 0.000 -2.322) 2.549 3.650 ( -11.070 0.000 13.484) 17.446 3.650 ( 11.070 0.000 13.484) 17.446 3.765 ( -2.257 0.000 4.733) 5.243 3.765 ( 2.257 0.000 4.733) 5.243 3.795 ( -11.424 0.000 4.114) 12.142 3.795 ( 11.424 0.000 4.114) 12.142 3.932 ( -2.982 0.000 -3.170) 4.352 3.932 ( 2.982 0.000 -3.170) 4.352 4.160 ( -4.234 0.000 -0.909) 4.330 4.160 ( 4.234 0.000 -0.909) 4.330 4.263 ( -1.698 0.000 1.162) 2.058 4.263 ( 1.698 0.000 1.162) 2.058 4.361 ( -7.356 0.000 -7.181) 10.280 4.361 ( 7.356 0.000 -7.181) 10.280 4.580 ( -1.754 0.000 -1.642) 2.403 4.580 ( 1.754 0.000 -1.642) 2.403 4.899 ( -0.502 0.000 1.144) 1.250 4.899 ( 0.502 0.000 1.144) 1.250 4.975 ( -1.209 0.000 -5.861) 5.985 4.975 ( 1.209 0.000 -5.861) 5.985 5.447 ( -0.602 0.000 0.745) 0.958 5.447 ( 0.602 0.000 0.745) 0.958 5.524 ( -2.667 0.000 2.759) 3.837 5.524 ( 2.667 0.000 2.759) 3.837 5.708 ( -1.318 0.000 1.635) 2.100 5.708 ( 1.318 0.000 1.635) 2.100 5.896 ( -3.763 0.000 -3.344) 5.034 5.896 ( 3.763 0.000 -3.344) 5.034 6.712 ( -3.078 0.000 5.020) 5.889 6.712 ( 3.078 0.000 5.020) 5.889 7.044 ( -2.663 0.000 2.828) 3.885 7.044 ( 2.663 0.000 2.828) 3.885 7.142 ( -1.816 0.000 -6.086) 6.351 7.142 ( 1.816 0.000 -6.086) 6.351 7.246 ( -4.333 0.000 -4.986) 6.605 7.246 ( 4.333 0.000 -4.986) 6.605 7.894 ( -7.509 0.000 9.751) 12.307 7.894 ( 7.509 0.000 9.751) 12.307 7.994 ( -10.652 0.000 1.399) 10.743 7.994 ( 10.652 0.000 1.399) 10.743 8.035 ( -7.974 0.000 -2.764) 8.440 8.035 ( 7.974 0.000 -2.764) 8.440 8.562 ( -6.387 0.000 -8.825) 10.894 8.562 ( 6.387 0.000 -8.825) 10.894 9.041 ( -3.806 0.000 2.704) 4.669 9.041 ( 3.806 0.000 2.704) 4.669 9.084 ( -4.296 0.000 -0.892) 4.388 9.084 ( 4.296 0.000 -0.892) 4.388 9.237 ( -3.337 0.000 3.350) 4.729 9.237 ( 3.337 0.000 3.350) 4.729 9.903 ( -3.865 0.000 -2.502) 4.604 9.903 ( 3.865 0.000 -2.502) 4.604 10.348 ( -13.477 0.000 11.407) 17.656 10.348 ( 13.477 0.000 11.407) 17.656 10.584 ( -13.786 0.000 -9.017) 16.473 10.584 ( 13.786 0.000 -9.017) 16.473 10.604 ( -3.905 0.000 -3.550) 5.278 10.604 ( 3.905 0.000 -3.550) 5.278 10.857 ( -2.961 0.000 -2.368) 3.791 10.857 ( 2.961 0.000 -2.368) 3.791 11.267 ( -1.492 0.000 0.974) 1.782 11.267 ( 1.492 0.000 0.974) 1.782 11.442 ( -0.311 0.000 -2.851) 2.868 11.442 ( 0.311 0.000 -2.851) 2.868 12.898 ( -1.238 0.000 0.414) 1.305 12.898 ( 1.238 0.000 0.414) 1.305 12.953 ( -3.222 0.000 4.815) 5.794 12.953 ( 3.222 0.000 4.815) 5.794 13.236 ( -5.063 0.000 -0.441) 5.083 13.236 ( 5.063 0.000 -0.441) 5.083 13.842 ( -6.352 0.000 11.313) 12.974 13.842 ( 6.352 0.000 11.313) 12.974 14.024 ( -1.941 0.000 -0.298) 1.964 14.024 ( 1.941 0.000 -0.298) 1.964 14.175 ( -4.674 0.000 -16.180) 16.842 14.175 ( 4.674 0.000 -16.180) 16.842 14.864 ( -1.503 0.000 0.640) 1.634 14.864 ( 1.503 0.000 0.640) 1.634 15.833 ( -3.246 0.000 5.414) 6.312 15.833 ( 3.246 0.000 5.414) 6.312 16.411 ( -1.659 0.000 -5.477) 5.723 16.411 ( 1.659 0.000 -5.477) 5.723 17.118 ( -0.387 0.000 -0.218) 0.445 17.118 ( 0.387 0.000 -0.218) 0.445 17.622 ( -2.081 0.000 1.721) 2.701 17.622 ( 2.081 0.000 1.721) 2.701 18.143 ( -0.900 0.000 1.989) 2.183 18.143 ( 0.900 0.000 1.989) 2.183 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 17.697 15.752) 23.692 1.799 ( 0.000 2.726 19.153) 19.346 1.998 ( 0.000 14.379 -9.755) 17.376 2.147 ( 0.000 2.843 -8.673) 9.127 2.217 ( 0.000 7.945 6.596) 10.326 2.298 ( 0.000 4.981 -0.969) 5.075 2.361 ( 0.000 -1.280 5.984) 6.119 2.411 ( 0.000 1.980 0.384) 2.017 2.468 ( 0.000 3.753 4.505) 5.863 2.558 ( 0.000 1.244 2.045) 2.394 2.610 ( 0.000 -2.057 -8.315) 8.565 2.630 ( 0.000 0.251 -6.424) 6.429 2.710 ( 0.000 3.257 -2.440) 4.070 2.719 ( 0.000 3.097 4.798) 5.711 2.879 ( 0.000 2.657 7.279) 7.749 3.011 ( 0.000 3.079 1.779) 3.556 3.099 ( 0.000 3.343 -6.497) 7.307 3.139 ( 0.000 5.498 -4.941) 7.392 3.157 ( 0.000 1.652 8.740) 8.894 3.201 ( 0.000 0.942 2.049) 2.255 3.329 ( 0.000 1.397 3.886) 4.129 3.555 ( 0.000 -2.944 -7.605) 8.155 3.871 ( 0.000 4.110 1.172) 4.274 3.896 ( 0.000 -0.283 -3.663) 3.674 3.943 ( 0.000 -3.346 2.411) 4.124 3.954 ( 0.000 -4.569 -0.461) 4.592 4.024 ( 0.000 2.818 -1.310) 3.108 4.058 ( 0.000 -1.963 -2.545) 3.214 4.121 ( 0.000 6.457 0.904) 6.520 4.163 ( 0.000 14.121 -2.851) 14.405 4.373 ( 0.000 21.454 2.992) 21.662 4.439 ( 0.000 21.586 -3.859) 21.928 4.571 ( 0.000 -1.615 3.590) 3.936 4.573 ( 0.000 -0.174 2.259) 2.265 4.604 ( 0.000 -0.225 1.031) 1.055 4.687 ( 0.000 3.245 -5.501) 6.387 4.847 ( 0.000 1.696 2.931) 3.386 4.866 ( 0.000 1.342 -0.756) 1.541 5.012 ( 0.000 4.348 -0.917) 4.444 5.018 ( 0.000 3.114 1.415) 3.420 5.380 ( 0.000 0.743 0.008) 0.743 5.397 ( 0.000 1.761 0.267) 1.781 5.559 ( 0.000 10.161 2.895) 10.565 5.642 ( 0.000 10.106 -6.227) 11.870 5.708 ( 0.000 5.265 2.217) 5.713 5.746 ( 0.000 6.805 -0.836) 6.856 5.849 ( 0.000 3.437 7.628) 8.367 6.014 ( 0.000 2.155 -7.998) 8.284 6.780 ( 0.000 10.055 6.522) 11.985 6.800 ( 0.000 -2.683 2.301) 3.534 7.005 ( 0.000 0.499 0.366) 0.619 7.026 ( 0.000 -2.039 -2.191) 2.993 7.107 ( 0.000 1.362 -0.654) 1.511 7.146 ( 0.000 -2.061 -5.196) 5.590 7.357 ( 0.000 11.132 6.585) 12.934 7.452 ( 0.000 4.870 -4.362) 6.538 7.760 ( 0.000 5.056 1.905) 5.403 7.796 ( 0.000 5.112 6.244) 8.070 7.926 ( 0.000 3.082 -9.843) 10.315 7.985 ( 0.000 8.614 -11.265) 14.181 8.310 ( 0.000 0.907 5.732) 5.803 8.385 ( 0.000 5.053 -0.026) 5.053 8.682 ( 0.000 7.079 4.735) 8.516 8.769 ( 0.000 4.980 -0.719) 5.032 8.900 ( 0.000 0.224 4.111) 4.118 8.972 ( 0.000 -2.724 -4.041) 4.873 9.093 ( 0.000 6.748 4.280) 7.991 9.175 ( 0.000 12.692 -3.255) 13.103 9.342 ( 0.000 14.555 -1.133) 14.599 9.344 ( 0.000 16.301 -2.243) 16.454 9.919 ( 0.000 -2.231 2.527) 3.371 9.996 ( 0.000 2.556 -5.141) 5.742 10.313 ( 0.000 15.085 1.955) 15.212 10.359 ( 0.000 10.906 -2.264) 11.139 10.477 ( 0.000 0.009 4.522) 4.522 10.604 ( 0.000 0.361 -6.493) 6.503 10.803 ( 0.000 -5.046 3.784) 6.307 10.967 ( 0.000 2.222 -8.127) 8.425 10.999 ( 0.000 7.366 7.569) 10.561 11.044 ( 0.000 9.597 1.268) 9.681 11.294 ( 0.000 7.469 -1.456) 7.610 11.353 ( 0.000 2.418 -7.266) 7.658 11.452 ( 0.000 8.382 -0.743) 8.415 11.462 ( 0.000 4.593 -1.810) 4.936 12.679 ( 0.000 -3.839 4.095) 5.613 12.724 ( 0.000 -4.206 0.467) 4.232 12.895 ( 0.000 5.121 1.301) 5.284 12.925 ( 0.000 6.388 -0.748) 6.432 13.256 ( 0.000 -4.493 5.432) 7.049 13.326 ( 0.000 -7.533 -1.908) 7.771 13.639 ( 0.000 -2.417 14.860) 15.055 13.861 ( 0.000 -9.985 1.234) 10.061 13.871 ( 0.000 -10.239 0.443) 10.249 13.990 ( 0.000 -2.440 -17.343) 17.514 14.343 ( 0.000 13.983 5.087) 14.880 14.484 ( 0.000 13.181 -9.605) 16.309 14.799 ( 0.000 -3.204 -0.974) 3.349 14.834 ( 0.000 -2.725 -3.592) 4.509 15.747 ( 0.000 -4.083 14.871) 15.421 16.037 ( 0.000 -5.088 -13.106) 14.059 16.070 ( 0.000 -2.952 9.877) 10.309 16.288 ( 0.000 -4.179 -10.692) 11.480 17.162 ( 0.000 -5.608 0.265) 5.615 17.171 ( 0.000 -7.090 -0.853) 7.141 17.478 ( 0.000 -3.081 8.048) 8.618 17.609 ( 0.000 -2.601 -4.694) 5.367 18.083 ( 0.000 -2.820 4.156) 5.022 18.123 ( 0.000 -3.469 0.355) 3.487 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.251 13.970 16.415) 21.798 1.824 ( 3.052 6.962 18.557) 20.053 1.973 ( -3.512 14.960 -2.640) 15.592 2.116 ( -4.052 3.065 -0.061) 5.081 2.133 ( -3.426 7.951 1.702) 8.824 2.244 ( -8.872 2.823 -2.407) 9.617 2.303 ( -3.358 3.946 -7.699) 9.280 2.358 ( -6.525 -1.721 -0.759) 6.791 2.394 ( -1.297 1.492 -0.875) 2.162 2.424 ( -3.327 2.007 -2.552) 4.648 2.677 ( 4.030 0.994 0.325) 4.164 2.717 ( 4.576 1.406 -0.623) 4.828 2.738 ( 4.377 2.922 2.279) 5.735 2.827 ( 5.293 -0.375 -3.076) 6.133 2.949 ( -0.582 1.862 2.303) 3.018 3.007 ( 0.049 3.204 0.395) 3.229 3.051 ( -1.700 3.937 -0.798) 4.362 3.116 ( -1.546 5.563 -5.017) 7.649 3.257 ( 10.277 1.142 9.033) 13.730 3.329 ( 7.953 1.001 -1.575) 8.169 3.401 ( 7.793 1.737 9.985) 12.784 3.629 ( 4.943 -2.709 -2.291) 6.084 3.790 ( -6.841 -4.364 0.528) 8.131 3.844 ( -2.908 1.142 -2.422) 3.953 3.918 ( -2.116 -0.266 -0.377) 2.166 3.931 ( -1.553 0.537 1.238) 2.057 4.011 ( 0.347 10.443 -2.679) 10.787 4.057 ( -1.916 5.983 -5.117) 8.103 4.138 ( 2.758 0.749 3.931) 4.860 4.223 ( 3.039 0.771 -3.345) 4.585 4.303 ( -11.054 2.905 6.913) 13.358 4.419 ( -4.069 9.848 -2.484) 10.942 4.462 ( -0.620 16.944 4.444) 17.528 4.543 ( -2.067 9.448 -1.845) 9.846 4.606 ( 0.677 5.005 2.620) 5.690 4.705 ( -0.901 7.914 -5.634) 9.757 4.870 ( 3.000 0.579 2.975) 4.264 4.900 ( 1.092 0.397 -0.547) 1.285 4.980 ( -0.328 4.009 -3.402) 5.268 5.022 ( -1.652 2.610 -5.437) 6.253 5.385 ( 1.883 0.627 2.754) 3.395 5.428 ( 0.698 0.608 -0.569) 1.086 5.592 ( 2.863 10.095 3.558) 11.080 5.659 ( 0.823 9.258 -1.147) 9.365 5.724 ( 1.303 5.474 1.061) 5.726 5.760 ( 0.730 6.123 -0.823) 6.221 5.870 ( 2.397 3.097 4.422) 5.907 5.996 ( -1.747 2.584 -6.820) 7.499 6.732 ( -1.748 2.683 5.263) 6.161 6.802 ( -2.380 3.060 -0.241) 3.884 6.998 ( 1.748 1.009 2.918) 3.548 7.062 ( 0.375 -2.688 -2.385) 3.613 7.124 ( 1.959 2.751 -2.167) 4.012 7.154 ( 0.492 -0.319 -4.826) 4.861 7.315 ( -2.173 9.586 3.220) 10.343 7.429 ( -3.967 6.218 -7.022) 10.183 7.776 ( 3.842 3.118 7.759) 9.202 7.855 ( 5.500 4.808 6.377) 9.697 7.917 ( 0.004 1.615 -4.676) 4.947 8.048 ( 3.493 7.394 -8.855) 12.054 8.237 ( -6.118 3.381 2.980) 7.599 8.276 ( -8.608 7.188 0.592) 11.230 8.583 ( -4.576 3.868 3.003) 6.702 8.737 ( -4.265 3.821 -8.042) 9.872 9.037 ( 7.745 -2.052 4.494) 9.186 9.077 ( 8.825 5.596 2.668) 10.785 9.135 ( 3.315 9.305 1.292) 9.962 9.183 ( 1.534 13.530 -2.068) 13.773 9.324 ( -1.513 14.129 0.050) 14.210 9.345 ( -0.796 15.177 -1.506) 15.273 9.914 ( -1.071 1.033 1.764) 2.307 9.979 ( -2.121 1.456 -4.799) 5.445 10.293 ( 0.970 10.619 6.563) 12.521 10.411 ( 4.446 7.143 -4.352) 9.472 10.525 ( 4.859 2.904 0.178) 5.664 10.594 ( -1.206 -1.369 -6.090) 6.357 10.762 ( -8.124 5.279 8.300) 12.758 10.832 ( -5.587 1.731 3.880) 7.019 10.936 ( -3.886 3.328 -6.397) 8.191 11.006 ( -6.103 10.701 -5.885) 13.652 11.304 ( 1.425 6.748 0.005) 6.897 11.348 ( -0.485 5.464 -3.256) 6.379 11.468 ( 0.898 5.347 -1.687) 5.678 11.472 ( 0.756 4.235 -2.020) 4.753 12.722 ( 3.707 -5.678 4.249) 8.002 12.777 ( 3.852 -4.764 -0.831) 6.183 12.931 ( 3.982 3.029 5.611) 7.517 13.012 ( 5.994 7.076 -1.652) 9.419 13.192 ( -4.822 -5.130 5.363) 8.851 13.292 ( -3.735 -5.691 -3.916) 7.853 13.660 ( 1.919 -5.751 12.706) 14.078 13.809 ( -4.281 -11.124 2.941) 12.277 13.885 ( 1.295 -7.997 -1.239) 8.195 13.972 ( -1.780 -3.588 -12.513) 13.138 14.346 ( 0.658 14.229 -0.013) 14.244 14.448 ( -3.179 13.318 -9.913) 16.904 14.808 ( 1.485 -2.423 1.305) 3.127 14.853 ( 0.720 -2.215 -2.491) 3.410 15.759 ( 1.336 -3.455 11.451) 12.036 15.902 ( -5.985 -2.845 0.258) 6.632 16.234 ( 8.061 -5.852 -2.906) 10.376 16.323 ( 2.622 -5.270 -8.669) 10.478 17.116 ( -3.490 -5.282 0.166) 6.334 17.123 ( -3.598 -5.776 -0.793) 6.851 17.525 ( 3.549 -3.226 5.938) 7.633 17.612 ( -0.170 -2.762 -2.304) 3.601 18.092 ( 0.783 -3.042 3.516) 4.715 18.120 ( -0.300 -3.481 0.858) 3.598 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -7.535 12.839 12.519) 19.451 1.837 ( 7.535 12.839 12.519) 19.451 1.946 ( -8.509 7.854 15.244) 19.144 1.946 ( 8.509 7.854 15.244) 19.144 2.142 ( -2.703 4.877 -9.311) 10.853 2.142 ( 2.703 4.877 -9.311) 10.853 2.266 ( -1.325 1.189 -10.545) 10.694 2.266 ( 1.325 1.189 -10.545) 10.694 2.391 ( -0.658 2.037 0.211) 2.151 2.391 ( 0.658 2.037 0.211) 2.151 2.744 ( -1.763 0.016 -0.791) 1.932 2.744 ( 1.763 0.016 -0.791) 1.932 2.852 ( -5.170 1.413 3.643) 6.481 2.852 ( 5.170 1.413 3.643) 6.481 2.941 ( -4.244 1.070 -2.135) 4.870 2.941 ( 4.244 1.070 -2.135) 4.870 3.077 ( -2.302 6.857 -3.175) 7.899 3.077 ( 2.302 6.857 -3.175) 7.899 3.416 ( -0.999 0.003 -1.727) 1.995 3.416 ( 0.999 0.003 -1.727) 1.995 3.621 ( -7.666 -0.489 12.632) 14.784 3.621 ( 7.666 -0.489 12.632) 14.784 3.740 ( -6.778 -2.697 1.307) 7.411 3.740 ( 6.778 -2.697 1.307) 7.411 3.916 ( -0.424 4.735 4.965) 6.874 3.916 ( 0.424 4.735 4.965) 6.874 4.006 ( -0.769 4.455 -3.750) 5.874 4.006 ( 0.769 4.455 -3.750) 5.874 4.165 ( -2.543 2.475 1.055) 3.702 4.165 ( 2.543 2.475 1.055) 3.702 4.292 ( -4.968 -2.680 -6.188) 8.376 4.292 ( 4.968 -2.680 -6.188) 8.376 4.500 ( -2.376 19.673 4.307) 20.278 4.500 ( 2.376 19.673 4.307) 20.278 4.654 ( -3.337 8.774 -4.105) 10.245 4.654 ( 3.337 8.774 -4.105) 10.245 4.909 ( -0.388 1.227 1.140) 1.719 4.909 ( 0.388 1.227 1.140) 1.719 4.991 ( -1.106 2.768 -6.276) 6.948 4.991 ( 1.106 2.768 -6.276) 6.948 5.422 ( -1.184 0.239 1.382) 1.836 5.422 ( 1.184 0.239 1.382) 1.836 5.647 ( -2.029 9.246 2.850) 9.886 5.647 ( 2.029 9.246 2.850) 9.886 5.753 ( -1.265 5.061 0.755) 5.271 5.753 ( 1.265 5.061 0.755) 5.271 5.940 ( -3.676 3.245 -2.568) 5.535 5.940 ( 3.676 3.245 -2.568) 5.535 6.739 ( -2.479 2.068 1.170) 3.434 6.739 ( 2.479 2.068 1.170) 3.434 7.043 ( -1.900 -0.213 0.887) 2.108 7.043 ( 1.900 -0.213 0.887) 2.108 7.155 ( -0.671 2.201 -3.425) 4.127 7.155 ( 0.671 2.201 -3.425) 4.127 7.329 ( -3.913 7.527 -3.673) 9.244 7.329 ( 3.913 7.527 -3.673) 9.244 7.887 ( -3.795 0.240 6.214) 7.285 7.887 ( 3.795 0.240 6.214) 7.285 8.012 ( -6.428 1.162 -1.253) 6.652 8.012 ( 6.428 1.162 -1.253) 6.652 8.149 ( -2.049 12.198 4.434) 13.139 8.149 ( 2.049 12.198 4.434) 13.139 8.606 ( -6.481 4.291 -9.447) 12.233 8.606 ( 6.481 4.291 -9.447) 12.233 9.157 ( -2.894 -1.182 3.524) 4.711 9.157 ( 2.894 -1.182 3.524) 4.711 9.202 ( -1.537 12.905 1.115) 13.044 9.202 ( 1.537 12.905 1.115) 13.044 9.313 ( -1.693 17.935 0.797) 18.033 9.313 ( 1.693 17.935 0.797) 18.033 9.913 ( -2.589 1.867 -2.562) 4.093 9.913 ( 2.589 1.867 -2.562) 4.093 10.420 ( -8.606 3.938 4.691) 10.563 10.420 ( 8.606 3.938 4.691) 10.563 10.559 ( -2.514 3.453 0.702) 4.329 10.559 ( 2.514 3.453 0.702) 4.329 10.718 ( -8.282 6.361 -3.824) 11.121 10.718 ( 8.282 6.361 -3.824) 11.121 10.900 ( -2.343 5.798 -4.902) 7.946 10.900 ( 2.343 5.798 -4.902) 7.946 11.333 ( -1.085 7.086 -0.635) 7.196 11.333 ( 1.085 7.086 -0.635) 7.196 11.479 ( -0.151 3.758 -2.083) 4.300 11.479 ( 0.151 3.758 -2.083) 4.300 12.799 ( -2.420 -6.047 2.488) 6.972 12.799 ( 2.420 -6.047 2.488) 6.972 13.034 ( -5.016 1.938 6.896) 8.745 13.034 ( 5.016 1.938 6.896) 8.745 13.187 ( -5.454 -2.730 -4.810) 7.768 13.187 ( 5.454 -2.730 -4.810) 7.768 13.719 ( -3.923 -10.198 7.366) 13.178 13.719 ( 3.923 -10.198 7.366) 13.178 13.925 ( -2.460 -5.592 -5.264) 8.064 13.925 ( 2.460 -5.592 -5.264) 8.064 14.381 ( -2.811 14.009 -7.054) 15.935 14.381 ( 2.811 14.009 -7.054) 15.935 14.845 ( -1.488 -1.781 0.634) 2.407 14.845 ( 1.488 -1.781 0.634) 2.407 15.807 ( -3.436 -2.658 5.242) 6.808 15.807 ( 3.436 -2.658 5.242) 6.808 16.343 ( -1.912 -6.710 -5.535) 8.906 16.343 ( 1.912 -6.710 -5.535) 8.906 17.074 ( -0.248 -4.723 -0.503) 4.756 17.074 ( 0.248 -4.723 -0.503) 4.756 17.588 ( -2.239 -3.023 2.086) 4.301 17.588 ( 2.239 -3.023 2.086) 4.301 18.109 ( -0.778 -3.375 2.124) 4.063 18.109 ( 0.778 -3.375 2.124) 4.063 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 4.659 16.260) 16.914 1.963 ( 0.000 9.029 8.239) 12.223 2.190 ( 0.000 5.061 -2.214) 5.524 2.232 ( 0.000 4.996 -5.124) 7.156 2.271 ( 0.000 -0.747 5.083) 5.138 2.315 ( 0.000 -1.200 2.165) 2.475 2.388 ( 0.000 3.971 1.069) 4.112 2.476 ( 0.000 1.489 -5.355) 5.558 2.529 ( 0.000 1.226 1.227) 1.734 2.580 ( 0.000 1.781 -4.078) 4.450 2.676 ( 0.000 3.718 -1.187) 3.903 2.698 ( 0.000 6.677 -1.122) 6.770 2.806 ( 0.000 9.725 1.872) 9.904 2.875 ( 0.000 3.822 -2.479) 4.556 2.894 ( 0.000 3.746 6.067) 7.130 3.022 ( 0.000 -1.128 -5.178) 5.299 3.224 ( 0.000 5.227 3.344) 6.205 3.231 ( 0.000 6.093 7.647) 9.778 3.259 ( 0.000 6.763 1.959) 7.041 3.299 ( 0.000 10.471 0.185) 10.472 3.362 ( 0.000 2.074 -0.819) 2.230 3.460 ( 0.000 -6.333 -3.239) 7.114 3.772 ( 0.000 -11.010 1.273) 11.083 3.778 ( 0.000 -9.754 -0.612) 9.773 3.907 ( 0.000 1.579 -1.747) 2.354 3.914 ( 0.000 -1.553 -1.811) 2.386 3.989 ( 0.000 -1.643 2.580) 3.059 4.083 ( 0.000 -0.725 -5.846) 5.890 4.286 ( 0.000 9.652 0.720) 9.679 4.321 ( 0.000 0.302 -2.735) 2.751 4.525 ( 0.000 1.274 8.393) 8.489 4.575 ( 0.000 0.406 0.980) 1.061 4.595 ( 0.000 0.570 -0.536) 0.782 4.683 ( 0.000 0.852 -6.421) 6.478 4.851 ( 0.000 6.792 0.576) 6.817 4.871 ( 0.000 13.891 0.401) 13.897 4.919 ( 0.000 9.591 2.341) 9.872 4.976 ( 0.000 12.792 -1.213) 12.849 5.176 ( 0.000 11.116 0.402) 11.123 5.203 ( 0.000 12.972 -1.798) 13.096 5.474 ( 0.000 8.413 1.261) 8.506 5.474 ( 0.000 5.343 1.434) 5.532 5.790 ( 0.000 4.954 6.880) 8.478 5.881 ( 0.000 10.653 2.597) 10.965 5.886 ( 0.000 15.983 -3.882) 16.447 5.915 ( 0.000 15.261 4.409) 15.885 5.981 ( 0.000 2.345 -4.913) 5.444 6.004 ( 0.000 11.569 -5.687) 12.892 6.760 ( 0.000 -1.170 6.688) 6.789 6.932 ( 0.000 1.976 -9.029) 9.243 6.975 ( 0.000 -2.365 1.451) 2.775 7.044 ( 0.000 0.656 -5.261) 5.302 7.133 ( 0.000 3.483 1.271) 3.708 7.181 ( 0.000 3.796 -2.605) 4.604 7.538 ( 0.000 3.474 1.407) 3.748 7.562 ( 0.000 7.973 0.704) 8.004 7.879 ( 0.000 7.063 -2.588) 7.523 7.957 ( 0.000 0.973 -7.289) 7.354 8.005 ( 0.000 16.551 10.775) 19.749 8.235 ( 0.000 14.753 -10.284) 17.983 8.374 ( 0.000 5.612 9.679) 11.189 8.570 ( 0.000 11.768 -7.710) 14.069 8.848 ( 0.000 4.009 7.120) 8.171 8.852 ( 0.000 6.400 2.667) 6.933 8.874 ( 0.000 -2.360 -0.530) 2.419 8.891 ( 0.000 -0.369 -1.012) 1.077 9.288 ( 0.000 10.604 4.508) 11.523 9.425 ( 0.000 7.487 -9.014) 11.718 9.688 ( 0.000 20.797 0.890) 20.816 9.706 ( 0.000 21.978 -1.027) 22.002 10.039 ( 0.000 12.773 6.890) 14.513 10.186 ( 0.000 14.645 -6.150) 15.884 10.455 ( 0.000 2.836 4.496) 5.316 10.526 ( 0.000 -1.180 0.936) 1.506 10.640 ( 0.000 13.807 2.792) 14.086 10.713 ( 0.000 17.014 -2.998) 17.276 10.782 ( 0.000 4.676 2.681) 5.390 11.033 ( 0.000 5.376 -16.065) 16.941 11.157 ( 0.000 8.575 10.994) 13.943 11.304 ( 0.000 15.408 2.131) 15.555 11.438 ( 0.000 6.061 -4.160) 7.352 11.500 ( 0.000 12.948 -4.847) 13.826 11.588 ( 0.000 9.464 2.090) 9.692 11.664 ( 0.000 13.548 -5.011) 14.445 12.624 ( 0.000 -2.255 1.111) 2.514 12.628 ( 0.000 -5.508 1.334) 5.667 12.971 ( 0.000 -3.617 4.677) 5.912 13.014 ( 0.000 6.484 3.364) 7.305 13.119 ( 0.000 -13.057 -1.400) 13.131 13.165 ( 0.000 -3.895 -1.755) 4.272 13.567 ( 0.000 -6.244 12.739) 14.187 13.650 ( 0.000 -11.482 -0.157) 11.483 13.712 ( 0.000 -3.677 -2.331) 4.354 13.936 ( 0.000 -2.621 -17.644) 17.838 14.602 ( 0.000 8.851 6.423) 10.936 14.699 ( 0.000 -6.454 -2.635) 6.971 14.773 ( 0.000 15.104 -4.944) 15.893 14.781 ( 0.000 0.661 -3.977) 4.032 15.641 ( 0.000 -6.121 13.854) 15.146 15.896 ( 0.000 -9.029 -10.835) 14.104 16.006 ( 0.000 -3.110 5.948) 6.712 16.179 ( 0.000 -6.643 -9.811) 11.849 16.957 ( 0.000 -14.454 -0.045) 14.455 16.977 ( 0.000 -13.092 -2.052) 13.252 17.435 ( 0.000 -0.723 9.169) 9.198 17.566 ( 0.000 -1.332 -3.740) 3.970 18.004 ( 0.000 -5.244 3.615) 6.370 18.027 ( 0.000 -6.251 1.427) 6.412 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.232 5.550 16.436) 17.391 2.029 ( 4.494 6.402 4.189) 8.873 2.143 ( -5.209 6.360 2.947) 8.733 2.229 ( -0.174 3.496 -1.587) 3.843 2.246 ( -1.889 0.772 4.026) 4.514 2.283 ( -3.883 4.302 0.509) 5.817 2.339 ( -3.146 1.588 -4.896) 6.032 2.357 ( -8.790 1.257 -3.165) 9.426 2.463 ( -2.987 5.537 1.088) 6.385 2.510 ( -2.088 4.294 -3.247) 5.774 2.713 ( 4.164 2.313 0.913) 4.849 2.772 ( 2.374 1.809 -4.751) 5.611 2.850 ( 1.840 6.603 1.584) 7.035 2.884 ( -0.639 4.860 -1.000) 5.002 2.982 ( 6.261 2.159 1.924) 6.897 3.040 ( 1.113 3.087 -2.861) 4.353 3.189 ( -0.630 8.376 3.491) 9.097 3.235 ( -0.303 4.805 -1.095) 4.938 3.289 ( 2.123 1.249 4.171) 4.844 3.367 ( 1.182 0.269 -2.827) 3.076 3.448 ( 12.409 5.079 9.353) 16.348 3.550 ( 6.406 -4.467 -0.630) 7.835 3.692 ( -3.769 -4.887 2.724) 6.746 3.791 ( -0.361 -6.418 -4.783) 8.012 3.902 ( -1.569 0.602 -0.943) 1.927 3.907 ( -1.254 0.566 -1.074) 1.745 4.000 ( 1.804 -5.658 2.790) 6.561 4.078 ( 0.087 -4.204 -4.303) 6.017 4.203 ( -10.356 1.811 6.954) 12.605 4.280 ( -5.280 0.065 -2.693) 5.928 4.385 ( -2.577 9.006 1.276) 9.454 4.454 ( -5.575 2.456 -2.998) 6.790 4.730 ( 6.048 3.784 2.060) 7.426 4.799 ( 4.411 4.868 -4.333) 7.870 4.869 ( 0.778 12.852 1.196) 12.931 4.903 ( 0.629 4.728 -2.370) 5.326 4.907 ( 2.428 8.957 2.807) 9.695 4.956 ( -1.433 11.741 -0.752) 11.852 5.171 ( -0.600 10.746 -0.276) 10.767 5.188 ( -1.175 13.131 -1.859) 13.314 5.460 ( 0.732 6.736 3.256) 7.517 5.502 ( 0.514 6.886 -0.066) 6.905 5.812 ( 1.302 1.743 5.171) 5.610 5.863 ( -1.118 10.754 -0.318) 10.817 5.889 ( -1.041 8.087 1.865) 8.365 5.900 ( 0.596 16.798 -0.896) 16.833 6.003 ( 2.014 12.674 -0.611) 12.847 6.040 ( 2.322 9.632 -4.690) 10.963 6.740 ( -0.787 -0.098 5.106) 5.167 6.868 ( -4.649 1.573 -4.782) 6.852 7.002 ( 1.197 -2.524 -2.991) 4.092 7.038 ( -0.670 -0.513 -5.417) 5.483 7.174 ( 3.193 4.376 0.162) 5.420 7.210 ( 2.096 3.309 -2.803) 4.816 7.489 ( -2.420 5.520 0.724) 6.071 7.541 ( -3.690 4.536 -3.566) 6.849 7.855 ( 1.293 4.971 5.255) 7.349 7.965 ( 1.037 4.039 -3.393) 5.376 8.029 ( -0.848 12.471 8.217) 14.959 8.216 ( -3.063 9.236 -8.127) 12.678 8.371 ( 0.128 10.793 7.882) 13.365 8.546 ( 1.767 17.189 -7.737) 18.932 8.674 ( -5.980 5.922 6.317) 10.523 8.822 ( -2.566 4.266 -5.619) 7.507 8.975 ( 5.043 -1.993 5.335) 7.607 9.072 ( 6.907 0.025 -2.027) 7.199 9.379 ( 7.411 10.683 6.418) 14.500 9.496 ( 3.746 11.178 -4.600) 12.654 9.698 ( 1.685 23.192 1.220) 23.285 9.729 ( 3.969 22.070 -2.649) 22.580 10.031 ( -1.542 11.455 3.708) 12.138 10.138 ( -5.311 13.033 -5.258) 15.024 10.422 ( -1.462 4.229 4.668) 6.466 10.507 ( -0.453 0.026 -4.318) 4.342 10.669 ( -1.293 11.340 0.788) 11.441 10.730 ( 2.999 18.222 0.706) 18.480 10.771 ( 0.279 0.776 1.906) 2.076 10.991 ( -1.340 4.406 -11.601) 12.482 11.042 ( -8.402 12.730 11.713) 19.231 11.261 ( -6.862 12.454 -7.960) 16.296 11.466 ( 4.547 10.943 2.712) 12.157 11.555 ( 2.999 11.486 -4.576) 12.723 11.581 ( -0.803 11.296 1.073) 11.375 11.647 ( -1.463 13.196 -4.718) 14.090 12.616 ( 1.381 -5.587 4.509) 7.311 12.683 ( 2.676 -4.723 -1.998) 5.784 12.901 ( -2.827 -6.954 9.763) 12.315 13.037 ( -5.896 -11.380 0.874) 12.847 13.129 ( 6.452 4.649 -0.817) 7.994 13.208 ( 2.361 -2.264 -4.184) 5.311 13.523 ( -2.838 -8.358 9.202) 12.751 13.598 ( -4.600 -10.320 -0.065) 11.299 13.746 ( 2.790 -4.743 -1.367) 5.670 13.894 ( -3.624 -3.715 -13.019) 14.016 14.591 ( -0.211 6.896 1.142) 6.993 14.661 ( -3.182 1.041 -5.839) 6.731 14.790 ( 3.207 6.116 1.534) 7.074 14.839 ( 2.016 5.422 -2.468) 6.289 15.668 ( 2.508 -5.366 10.605) 12.147 15.823 ( -4.599 -5.302 -2.753) 7.540 16.091 ( 5.355 -7.705 -1.158) 9.454 16.187 ( 0.474 -8.011 -8.274) 11.526 16.936 ( -1.451 -12.687 -0.274) 12.772 16.953 ( -1.890 -11.849 -2.035) 12.170 17.471 ( 3.003 -1.531 7.196) 7.946 17.562 ( -0.631 -1.721 -1.663) 2.475 18.007 ( 0.340 -5.538 3.260) 6.436 18.024 ( -0.283 -6.235 1.689) 6.466 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -8.213 4.623 11.415) 14.803 1.963 ( 8.213 4.623 11.415) 14.803 2.152 ( -5.812 4.970 0.380) 7.657 2.152 ( 5.812 4.970 0.380) 7.657 2.230 ( -1.096 5.700 -0.256) 5.810 2.230 ( 1.096 5.700 -0.256) 5.810 2.293 ( -1.768 2.287 -1.435) 3.227 2.293 ( 1.768 2.287 -1.435) 3.227 2.461 ( -1.954 4.328 -2.249) 5.254 2.461 ( 1.954 4.328 -2.249) 5.254 2.788 ( -1.908 3.258 -2.577) 4.571 2.788 ( 1.908 3.258 -2.577) 4.571 2.863 ( -0.669 -0.472 -0.643) 1.041 2.863 ( 0.669 -0.472 -0.643) 1.041 3.049 ( -0.909 9.400 -0.317) 9.449 3.049 ( 0.909 9.400 -0.317) 9.449 3.206 ( -2.145 5.513 1.532) 6.111 3.206 ( 2.145 5.513 1.532) 6.111 3.359 ( -2.566 -5.735 0.411) 6.297 3.359 ( 2.566 -5.735 0.411) 6.297 3.627 ( -2.267 -2.782 1.355) 3.836 3.627 ( 2.267 -2.782 1.355) 3.836 3.730 ( -10.149 3.720 5.169) 11.981 3.730 ( 10.149 3.720 5.169) 11.981 3.886 ( -2.509 -0.836 0.163) 2.650 3.886 ( 2.509 -0.836 0.163) 2.650 4.013 ( -2.683 -3.606 3.470) 5.678 4.013 ( 2.683 -3.606 3.470) 5.678 4.143 ( -5.451 -5.209 -2.382) 7.907 4.143 ( 5.451 -5.209 -2.382) 7.907 4.391 ( -1.729 9.976 -3.079) 10.583 4.391 ( 1.729 9.976 -3.079) 10.583 4.814 ( -2.508 6.432 0.281) 6.909 4.814 ( 2.508 6.432 0.281) 6.909 4.883 ( -1.161 10.737 -1.724) 10.936 4.883 ( 1.161 10.737 -1.724) 10.936 4.957 ( -0.417 7.159 0.461) 7.186 4.957 ( 0.417 7.159 0.461) 7.186 5.166 ( -0.595 11.175 -1.704) 11.320 5.166 ( 0.595 11.175 -1.704) 11.320 5.490 ( -1.508 6.756 2.225) 7.271 5.490 ( 1.508 6.756 2.225) 7.271 5.832 ( -1.303 1.234 0.461) 1.853 5.832 ( 1.303 1.234 0.461) 1.853 5.899 ( -0.820 15.995 1.073) 16.051 5.899 ( 0.820 15.995 1.073) 16.051 6.050 ( -1.616 12.195 -0.654) 12.319 6.050 ( 1.616 12.195 -0.654) 12.319 6.771 ( -3.960 1.207 -0.996) 4.258 6.771 ( 3.960 1.207 -0.996) 4.258 7.021 ( -0.844 -1.915 -4.351) 4.828 7.021 ( 0.844 -1.915 -4.351) 4.828 7.225 ( -1.161 3.405 -1.772) 4.010 7.225 ( 1.161 3.405 -1.772) 4.010 7.474 ( -1.534 4.885 -2.217) 5.580 7.474 ( 1.534 4.885 -2.217) 5.580 7.926 ( -4.387 4.303 5.975) 8.571 7.926 ( 4.387 4.303 5.975) 8.571 8.083 ( -7.042 6.397 -2.866) 9.936 8.083 ( 7.042 6.397 -2.866) 9.936 8.469 ( -8.266 18.473 9.794) 22.483 8.469 ( 8.266 18.473 9.794) 22.483 8.726 ( -7.093 8.478 -10.898) 15.523 8.726 ( 7.093 8.478 -10.898) 15.523 9.084 ( -4.487 -3.949 3.284) 6.820 9.084 ( 4.487 -3.949 3.284) 6.820 9.494 ( -3.061 15.027 1.686) 15.428 9.494 ( 3.061 15.027 1.686) 15.428 9.792 ( -3.747 25.379 1.993) 25.731 9.792 ( 3.747 25.379 1.993) 25.731 10.008 ( -4.053 7.851 -4.294) 9.824 10.008 ( 4.053 7.851 -4.294) 9.824 10.458 ( -4.037 3.240 -1.333) 5.345 10.458 ( 4.037 3.240 -1.333) 5.345 10.692 ( -3.973 6.370 -3.411) 8.246 10.692 ( 3.973 6.370 -3.411) 8.246 10.866 ( -7.397 10.479 10.507) 16.580 10.866 ( 7.397 10.479 10.507) 16.580 11.085 ( -8.772 12.038 -8.874) 17.338 11.085 ( 8.772 12.038 -8.874) 17.338 11.546 ( -2.732 11.409 1.182) 11.791 11.546 ( 2.732 11.409 1.182) 11.791 11.609 ( -2.233 13.089 -4.393) 13.986 11.609 ( 2.233 13.089 -4.393) 13.986 12.676 ( -3.450 -6.789 3.805) 8.513 12.676 ( 3.450 -6.789 3.805) 8.513 12.917 ( -4.732 -10.818 4.159) 12.519 12.917 ( 4.732 -10.818 4.159) 12.519 13.223 ( -1.987 2.683 -3.332) 4.717 13.223 ( 1.987 2.683 -3.332) 4.717 13.511 ( -2.531 -10.431 3.664) 11.342 13.511 ( 2.531 -10.431 3.664) 11.342 13.814 ( -3.805 -4.980 -5.481) 8.326 13.814 ( 3.805 -4.980 -5.481) 8.326 14.607 ( -1.838 4.809 -3.955) 6.492 14.607 ( 1.838 4.809 -3.955) 6.492 14.844 ( -1.498 5.523 1.047) 5.818 14.844 ( 1.498 5.523 1.047) 5.818 15.735 ( -3.887 -4.381 3.860) 7.015 15.735 ( 3.887 -4.381 3.860) 7.015 16.174 ( -2.296 -9.601 -4.983) 11.058 16.174 ( 2.296 -9.601 -4.983) 11.058 16.923 ( -0.549 -10.834 -1.337) 10.930 16.923 ( 0.549 -10.834 -1.337) 10.930 17.531 ( -2.435 -2.081 2.867) 4.299 17.531 ( 2.435 -2.081 2.867) 4.299 18.016 ( -0.484 -6.027 2.421) 6.513 18.016 ( 0.484 -6.027 2.421) 6.513 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.000 5.060 11.235) 12.322 2.086 ( 0.000 4.363 0.780) 4.432 2.231 ( 0.000 -2.050 4.600) 5.036 2.251 ( 0.000 1.318 0.343) 1.362 2.310 ( 0.000 1.539 2.987) 3.360 2.327 ( 0.000 3.604 -0.077) 3.605 2.475 ( 0.000 3.670 0.262) 3.679 2.495 ( 0.000 2.191 -1.929) 2.920 2.556 ( 0.000 2.484 2.847) 3.778 2.634 ( 0.000 1.780 -3.913) 4.298 2.758 ( 0.000 3.569 1.319) 3.805 2.781 ( 0.000 3.500 -0.984) 3.635 2.869 ( 0.000 0.088 5.416) 5.417 2.947 ( 0.000 2.501 1.768) 3.063 2.968 ( 0.000 2.527 -1.426) 2.902 3.014 ( 0.000 1.151 -7.692) 7.778 3.204 ( 0.000 -7.971 2.759) 8.435 3.238 ( 0.000 -3.758 -0.968) 3.880 3.379 ( 0.000 3.456 4.054) 5.327 3.395 ( 0.000 0.723 0.592) 0.935 3.433 ( 0.000 2.552 0.306) 2.571 3.521 ( 0.000 -3.564 -5.630) 6.663 3.570 ( 0.000 -7.075 0.979) 7.142 3.605 ( 0.000 -0.397 -1.491) 1.543 3.890 ( 0.000 -2.711 0.492) 2.756 3.895 ( 0.000 3.540 0.145) 3.543 4.010 ( 0.000 1.994 2.910) 3.528 4.097 ( 0.000 2.604 -5.610) 6.185 4.364 ( 0.000 7.407 5.841) 9.433 4.484 ( 0.000 9.768 -2.569) 10.101 4.568 ( 0.000 3.299 4.803) 5.827 4.590 ( 0.000 1.509 -1.149) 1.897 4.602 ( 0.000 0.120 0.729) 0.739 4.681 ( 0.000 0.800 -4.488) 4.558 4.910 ( 0.000 1.755 -1.145) 2.095 4.928 ( 0.000 1.211 -2.673) 2.934 5.177 ( 0.000 8.933 1.718) 9.096 5.181 ( 0.000 6.764 0.946) 6.830 5.348 ( 0.000 5.865 2.809) 6.503 5.388 ( 0.000 5.425 -0.835) 5.489 5.549 ( 0.000 1.126 2.524) 2.763 5.589 ( 0.000 1.780 -1.036) 2.059 5.683 ( 0.000 -8.335 6.033) 10.289 5.797 ( 0.000 -11.658 -4.735) 12.583 6.266 ( 0.000 21.411 3.957) 21.773 6.340 ( 0.000 25.689 -4.752) 26.125 6.344 ( 0.000 23.923 3.372) 24.159 6.410 ( 0.000 20.523 -2.431) 20.667 6.754 ( 0.000 0.613 8.704) 8.725 6.933 ( 0.000 -1.749 1.376) 2.226 6.940 ( 0.000 0.009 -7.374) 7.374 7.004 ( 0.000 -2.706 -5.788) 6.390 7.185 ( 0.000 -0.124 -3.392) 3.395 7.212 ( 0.000 -0.453 -4.370) 4.394 7.556 ( 0.000 -2.366 3.773) 4.453 7.608 ( 0.000 -3.152 -1.125) 3.347 8.015 ( 0.000 5.495 -2.964) 6.243 8.064 ( 0.000 11.338 -7.238) 13.451 8.276 ( 0.000 5.900 6.836) 9.030 8.454 ( 0.000 6.090 -6.739) 9.083 8.520 ( 0.000 7.521 8.588) 11.416 8.690 ( 0.000 -3.471 -8.786) 9.447 8.858 ( 0.000 6.393 -2.151) 6.745 8.861 ( 0.000 3.834 -0.879) 3.933 8.970 ( 0.000 8.325 8.933) 12.211 9.093 ( 0.000 10.057 -0.901) 10.097 9.474 ( 0.000 8.486 4.636) 9.670 9.551 ( 0.000 7.545 -3.805) 8.451 10.074 ( 0.000 9.849 7.238) 12.223 10.087 ( 0.000 16.355 3.306) 16.686 10.255 ( 0.000 9.458 0.051) 9.458 10.404 ( 0.000 0.052 -7.280) 7.280 10.555 ( 0.000 13.997 9.756) 17.061 10.630 ( 0.000 16.279 5.805) 17.282 10.881 ( 0.000 8.603 -4.606) 9.758 10.914 ( 0.000 8.226 -7.802) 11.337 11.059 ( 0.000 13.831 6.128) 15.128 11.204 ( 0.000 11.538 -9.250) 14.789 11.358 ( 0.000 11.653 1.793) 11.790 11.484 ( 0.000 2.467 -9.422) 9.740 11.647 ( 0.000 14.417 8.268) 16.619 11.755 ( 0.000 12.325 -2.805) 12.640 11.918 ( 0.000 24.347 2.845) 24.513 12.019 ( 0.000 22.969 -6.059) 23.755 12.520 ( 0.000 -5.141 2.487) 5.711 12.570 ( 0.000 -3.924 -2.881) 4.868 12.811 ( 0.000 -10.733 2.267) 10.970 12.830 ( 0.000 -15.509 2.159) 15.658 13.059 ( 0.000 -7.703 3.325) 8.390 13.107 ( 0.000 0.502 -1.984) 2.047 13.392 ( 0.000 -10.261 8.915) 13.593 13.426 ( 0.000 -10.607 1.739) 10.748 13.764 ( 0.000 7.669 -4.285) 8.785 13.914 ( 0.000 1.481 -15.533) 15.603 14.522 ( 0.000 -11.407 -2.155) 11.609 14.540 ( 0.000 -9.777 -3.211) 10.290 14.989 ( 0.000 14.597 5.080) 15.456 15.077 ( 0.000 15.217 -3.835) 15.693 15.534 ( 0.000 -4.218 10.125) 10.968 15.699 ( 0.000 -10.620 -6.151) 12.272 15.957 ( 0.000 -2.093 -0.010) 2.094 16.041 ( 0.000 -7.159 -6.979) 9.998 16.645 ( 0.000 -15.834 0.666) 15.848 16.690 ( 0.000 -14.823 -3.829) 15.310 17.457 ( 0.000 2.966 8.525) 9.026 17.566 ( 0.000 1.452 -2.260) 2.687 17.882 ( 0.000 -8.404 2.858) 8.876 17.883 ( 0.000 -6.943 2.738) 7.463 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 1.366 5.570 10.538) 11.998 2.099 ( 0.413 2.507 -0.968) 2.719 2.182 ( -3.094 -1.472 2.518) 4.252 2.239 ( -2.363 -1.444 -1.852) 3.332 2.310 ( 1.347 5.632 5.288) 7.842 2.361 ( 1.496 3.704 -0.455) 4.020 2.398 ( -4.871 3.391 1.381) 6.094 2.415 ( -5.278 5.195 -0.928) 7.463 2.561 ( -0.982 3.632 2.053) 4.286 2.600 ( -2.548 5.718 -0.755) 6.305 2.762 ( 2.961 2.185 0.657) 3.738 2.805 ( 1.355 1.850 -2.230) 3.199 2.861 ( -1.229 -2.692 1.892) 3.513 2.921 ( -3.449 -0.205 -4.007) 5.290 3.015 ( 6.231 -0.140 5.135) 8.076 3.115 ( 4.644 -1.339 -3.611) 6.033 3.224 ( 2.170 -3.594 2.274) 4.775 3.261 ( 0.614 -0.420 -0.535) 0.916 3.319 ( -3.088 -0.173 3.015) 4.319 3.369 ( -2.776 2.741 -2.062) 4.413 3.481 ( 4.536 -1.715 0.949) 4.941 3.521 ( 0.988 -3.193 -2.527) 4.190 3.647 ( 4.668 -6.411 -0.905) 7.982 3.660 ( 4.207 -1.528 -0.998) 4.586 3.882 ( -0.134 -3.460 2.616) 4.339 3.918 ( 0.874 3.159 -0.806) 3.375 3.982 ( -1.308 -0.340 1.617) 2.108 4.028 ( -4.711 2.846 -2.920) 6.230 4.295 ( -7.087 5.860 3.809) 9.954 4.319 ( -9.749 11.364 3.543) 15.386 4.529 ( 1.416 6.294 1.254) 6.572 4.597 ( 0.187 10.014 -5.275) 11.320 4.754 ( 7.800 -0.153 1.832) 8.014 4.811 ( 7.099 -1.357 -3.209) 7.908 4.923 ( 0.879 1.598 -1.475) 2.345 4.937 ( 0.595 0.863 -2.523) 2.732 5.168 ( -0.399 7.083 2.105) 7.400 5.183 ( 0.934 9.314 0.786) 9.394 5.310 ( -3.409 3.764 2.820) 5.808 5.349 ( -3.622 4.705 -0.935) 6.011 5.551 ( 0.798 1.323 3.495) 3.821 5.604 ( 0.375 1.902 -0.457) 1.991 5.688 ( 0.760 -8.872 3.368) 9.520 5.775 ( -2.076 -10.066 -4.087) 11.061 6.298 ( 2.633 22.256 3.748) 22.723 6.347 ( 0.956 21.463 3.277) 21.733 6.365 ( 1.471 25.792 -2.359) 25.942 6.419 ( 0.510 21.216 -2.275) 21.344 6.746 ( 0.101 0.899 6.810) 6.870 6.883 ( -3.817 0.392 -2.192) 4.419 6.960 ( 1.099 -1.358 -4.419) 4.752 7.004 ( -0.380 -1.974 -6.509) 6.812 7.218 ( 2.127 -0.471 -3.020) 3.724 7.231 ( 1.866 -1.224 -3.918) 4.509 7.501 ( -3.778 -3.383 1.329) 5.242 7.556 ( -4.837 -3.792 -3.614) 7.130 7.988 ( 0.866 8.455 3.326) 9.127 8.084 ( 0.299 7.820 -4.177) 8.871 8.243 ( -5.967 6.518 4.934) 10.121 8.359 ( -6.405 4.475 -6.009) 9.857 8.586 ( 6.805 7.057 6.302) 11.654 8.675 ( 3.831 -0.293 -2.408) 4.534 8.894 ( 2.621 6.443 -0.451) 6.970 8.901 ( 2.295 5.969 -1.181) 6.503 9.059 ( 3.295 13.619 5.766) 15.152 9.172 ( 2.438 10.630 -2.270) 11.140 9.547 ( 8.061 6.616 4.865) 11.507 9.629 ( 7.219 4.316 -4.619) 9.595 10.050 ( 1.865 9.123 4.431) 10.312 10.106 ( -0.567 13.509 1.222) 13.576 10.255 ( -2.460 8.035 0.394) 8.412 10.391 ( -6.278 8.440 -8.890) 13.773 10.527 ( 2.693 8.901 7.521) 11.960 10.608 ( -0.515 16.114 0.809) 16.142 10.818 ( -2.016 3.608 1.532) 4.408 10.960 ( -2.238 10.490 -7.076) 12.850 11.061 ( 1.265 12.870 6.640) 14.537 11.138 ( -4.655 15.454 -3.956) 16.618 11.310 ( -1.431 13.786 1.361) 13.926 11.447 ( -3.226 6.544 -9.768) 12.192 11.710 ( 3.787 12.821 3.768) 13.889 11.743 ( -0.041 12.523 0.260) 12.526 11.961 ( 2.478 23.158 0.169) 23.291 12.024 ( -0.044 24.001 -4.941) 24.504 12.498 ( -0.680 -6.200 4.549) 7.720 12.590 ( 0.488 -5.003 -4.055) 6.458 12.710 ( -6.082 -11.119 6.412) 14.203 12.784 ( -4.179 -13.134 -0.170) 13.784 13.090 ( 2.477 -9.412 4.176) 10.591 13.158 ( 2.633 -4.970 -2.607) 6.200 13.325 ( -4.072 -11.350 5.952) 13.447 13.390 ( -3.636 -11.134 -0.641) 11.730 13.773 ( 1.021 7.288 -3.574) 8.181 13.875 ( -3.237 3.358 -11.635) 12.535 14.522 ( 0.195 -10.092 -2.545) 10.410 14.539 ( -0.242 -9.764 -3.801) 10.481 15.025 ( 2.910 14.497 4.747) 15.530 15.090 ( 0.597 14.964 -1.627) 15.064 15.571 ( 3.277 -4.103 6.633) 8.460 15.687 ( -1.285 -8.527 -4.517) 9.735 15.977 ( 1.821 -3.216 -0.617) 3.747 16.039 ( -0.401 -6.195 -5.689) 8.420 16.645 ( 0.125 -16.079 -0.262) 16.082 16.679 ( -1.018 -15.251 -3.588) 15.701 17.479 ( 2.014 2.434 7.060) 7.735 17.557 ( -0.962 1.378 -0.581) 1.778 17.880 ( -0.099 -7.608 2.877) 8.134 17.882 ( -0.093 -7.753 2.697) 8.210 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -5.000 3.676 5.095) 8.030 2.047 ( 5.000 3.676 5.095) 8.030 2.172 ( -2.524 -0.931 -2.344) 3.568 2.172 ( 2.524 -0.931 -2.344) 3.568 2.334 ( -1.576 5.925 3.651) 7.136 2.334 ( 1.576 5.925 3.651) 7.136 2.373 ( -1.184 4.529 1.053) 4.799 2.373 ( 1.184 4.529 1.053) 4.799 2.556 ( -1.218 5.283 1.220) 5.557 2.556 ( 1.218 5.283 1.220) 5.557 2.829 ( -0.231 0.074 -3.335) 3.344 2.829 ( 0.231 0.074 -3.335) 3.344 2.846 ( -2.624 -0.467 -1.075) 2.874 2.846 ( 2.624 -0.467 -1.075) 2.874 3.127 ( -3.481 -5.854 3.546) 7.678 3.127 ( 3.481 -5.854 3.546) 7.678 3.250 ( -1.147 0.440 2.119) 2.450 3.250 ( 1.147 0.440 2.119) 2.450 3.320 ( -1.864 3.741 -2.079) 4.668 3.320 ( 1.864 3.741 -2.079) 4.668 3.544 ( -0.555 -4.366 -0.984) 4.510 3.544 ( 0.555 -4.366 -0.984) 4.510 3.706 ( -1.045 -5.619 -1.884) 6.018 3.706 ( 1.045 -5.619 -1.884) 6.018 3.896 ( -1.583 -2.608 1.651) 3.469 3.896 ( 1.583 -2.608 1.651) 3.469 3.989 ( -0.113 -1.375 0.241) 1.401 3.989 ( 0.113 -1.375 0.241) 1.401 4.189 ( -0.594 15.861 4.402) 16.471 4.189 ( 0.594 15.861 4.402) 16.471 4.577 ( -2.079 8.913 -2.143) 9.400 4.577 ( 2.079 8.913 -2.143) 9.400 4.870 ( -2.460 1.414 -1.351) 3.143 4.870 ( 2.460 1.414 -1.351) 3.143 4.934 ( -0.590 0.273 -2.215) 2.309 4.934 ( 0.590 0.273 -2.215) 2.309 5.198 ( -2.199 9.003 2.311) 9.552 5.198 ( 2.199 9.003 2.311) 9.552 5.267 ( -2.572 1.726 0.178) 3.103 5.267 ( 2.572 1.726 0.178) 3.103 5.583 ( -1.923 1.228 3.153) 3.892 5.583 ( 1.923 1.228 3.153) 3.892 5.724 ( -2.524 -8.493 -2.282) 9.149 5.724 ( 2.524 -8.493 -2.282) 9.149 6.346 ( -1.508 23.139 4.141) 23.555 6.346 ( 1.508 23.139 4.141) 23.555 6.405 ( -2.012 21.768 -1.004) 21.884 6.405 ( 2.012 21.768 -1.004) 21.884 6.792 ( -4.281 1.224 0.396) 4.470 6.792 ( 4.281 1.224 0.396) 4.470 6.985 ( -1.257 -1.303 -5.915) 6.186 6.985 ( 1.257 -1.303 -5.915) 6.186 7.250 ( -0.864 -0.845 -2.765) 3.018 7.250 ( 0.864 -0.845 -2.765) 3.018 7.471 ( -2.021 -4.626 -2.716) 5.732 7.471 ( 2.021 -4.626 -2.716) 5.732 8.048 ( -4.148 7.217 4.032) 9.250 8.048 ( 4.148 7.217 4.032) 9.250 8.214 ( -5.326 5.230 -2.557) 7.890 8.214 ( 5.326 5.230 -2.557) 7.890 8.730 ( -4.591 7.540 4.191) 9.772 8.730 ( 4.591 7.540 4.191) 9.772 8.923 ( -1.952 3.219 0.791) 3.847 8.923 ( 1.952 3.219 0.791) 3.847 9.116 ( -4.563 14.617 -1.255) 15.364 9.116 ( 4.563 14.617 -1.255) 15.364 9.714 ( -3.016 5.905 2.033) 6.936 9.714 ( 3.016 5.905 2.033) 6.936 10.129 ( -4.483 7.951 -0.673) 9.153 10.129 ( 4.483 7.951 -0.673) 9.153 10.191 ( -7.868 9.561 -4.653) 13.227 10.191 ( 7.868 9.561 -4.653) 13.228 10.620 ( -1.876 11.700 1.267) 11.917 10.620 ( 1.876 11.700 1.267) 11.917 10.830 ( -5.735 7.626 -1.247) 9.623 10.830 ( 5.735 7.626 -1.247) 9.623 11.090 ( -1.342 13.245 5.755) 14.503 11.090 ( 1.342 13.245 5.755) 14.503 11.356 ( -5.036 13.796 -6.944) 16.245 11.356 ( 5.036 13.796 -6.944) 16.245 11.752 ( -0.203 13.459 1.722) 13.570 11.752 ( 0.203 13.459 1.722) 13.570 12.000 ( -1.861 22.188 -3.059) 22.475 12.000 ( 1.861 22.188 -3.059) 22.475 12.530 ( -3.938 -7.826 5.498) 10.343 12.530 ( 3.938 -7.826 5.498) 10.343 12.698 ( -3.430 -10.257 -0.957) 10.858 12.698 ( 3.430 -10.257 -0.957) 10.858 13.147 ( -2.864 -11.164 3.676) 12.098 13.147 ( 2.864 -11.164 3.676) 12.098 13.315 ( -2.799 -10.865 -1.975) 11.392 13.315 ( 2.799 -10.865 -1.975) 11.392 13.810 ( -2.678 6.124 -5.864) 8.892 13.810 ( 2.678 6.124 -5.864) 8.892 14.531 ( -0.532 -9.393 -3.521) 10.045 14.531 ( 0.532 -9.393 -3.521) 10.045 15.079 ( -1.849 14.521 2.484) 14.848 15.079 ( 1.849 14.521 2.484) 14.848 15.642 ( -3.131 -5.215 0.078) 6.083 15.642 ( 3.131 -5.215 0.078) 6.083 16.017 ( -1.722 -4.693 -2.727) 5.694 16.017 ( 1.722 -4.693 -2.727) 5.694 16.656 ( -0.968 -16.031 -2.307) 16.225 16.656 ( 0.968 -16.031 -2.307) 16.225 17.525 ( -2.136 1.611 3.357) 4.293 17.525 ( 2.136 1.611 3.357) 4.293 17.880 ( -0.080 -7.688 2.765) 8.170 17.880 ( 0.080 -7.688 2.765) 8.170 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 4.180 6.519) 7.744 2.123 ( 0.000 -1.216 1.587) 1.999 2.214 ( 0.000 0.996 2.084) 2.310 2.244 ( 0.000 -1.383 -0.513) 1.475 2.365 ( 0.000 2.524 1.534) 2.954 2.376 ( 0.000 1.313 0.229) 1.333 2.523 ( 0.000 2.244 2.783) 3.575 2.551 ( 0.000 1.356 -0.567) 1.469 2.618 ( 0.000 2.409 2.469) 3.449 2.635 ( 0.000 -0.500 2.742) 2.788 2.793 ( 0.000 1.152 4.889) 5.023 2.822 ( 0.000 -0.014 2.244) 2.244 2.909 ( 0.000 3.526 4.051) 5.371 2.986 ( 0.000 -3.555 0.260) 3.564 2.995 ( 0.000 1.674 -0.306) 1.702 3.024 ( 0.000 1.685 -3.246) 3.658 3.106 ( 0.000 0.760 -0.562) 0.945 3.149 ( 0.000 -3.928 -2.288) 4.546 3.308 ( 0.000 -4.857 -1.794) 5.178 3.340 ( 0.000 -7.774 -4.156) 8.815 3.403 ( 0.000 0.948 0.289) 0.991 3.452 ( 0.000 -2.279 -3.538) 4.209 3.541 ( 0.000 1.694 0.323) 1.724 3.587 ( 0.000 -2.544 -3.718) 4.505 3.879 ( 0.000 1.725 4.387) 4.714 3.921 ( 0.000 -1.762 1.658) 2.420 4.097 ( 0.000 4.267 -2.873) 5.144 4.133 ( 0.000 0.312 -5.317) 5.326 4.577 ( 0.000 1.359 2.154) 2.547 4.593 ( 0.000 1.430 0.548) 1.532 4.610 ( 0.000 9.099 8.018) 12.127 4.646 ( 0.000 1.513 1.796) 2.349 4.646 ( 0.000 6.311 1.152) 6.415 4.750 ( 0.000 3.294 -5.286) 6.228 4.938 ( 0.000 1.239 -2.377) 2.681 4.946 ( 0.000 0.536 -2.632) 2.686 5.265 ( 0.000 2.441 3.066) 3.919 5.290 ( 0.000 2.812 0.952) 2.969 5.378 ( 0.000 -3.179 0.714) 3.259 5.380 ( 0.000 -6.079 0.476) 6.097 5.541 ( 0.000 1.624 1.151) 1.991 5.562 ( 0.000 -1.727 -0.833) 1.917 5.590 ( 0.000 -1.539 1.884) 2.432 5.623 ( 0.000 -4.673 -1.234) 4.833 6.580 ( 0.000 9.799 6.243) 11.619 6.654 ( 0.000 2.830 0.927) 2.978 6.731 ( 0.000 12.347 0.722) 12.368 6.759 ( 0.000 11.991 -4.345) 12.754 6.822 ( 0.000 7.081 6.648) 9.713 6.927 ( 0.000 2.271 0.819) 2.414 6.941 ( 0.000 -1.121 -3.502) 3.678 6.959 ( 0.000 -1.433 -2.245) 2.663 7.163 ( 0.000 -0.320 -6.799) 6.806 7.185 ( 0.000 -1.597 -7.186) 7.361 7.464 ( 0.000 -4.944 1.752) 5.245 7.489 ( 0.000 -6.958 -0.884) 7.014 8.148 ( 0.000 7.128 2.486) 7.549 8.247 ( 0.000 0.394 4.256) 4.274 8.318 ( 0.000 6.847 -9.236) 11.497 8.474 ( 0.000 -4.417 -12.346) 13.112 8.563 ( 0.000 -0.704 2.918) 3.002 8.580 ( 0.000 -4.152 0.768) 4.223 8.990 ( 0.000 4.792 -0.133) 4.794 8.995 ( 0.000 4.966 -0.744) 5.021 9.132 ( 0.000 7.183 4.902) 8.697 9.204 ( 0.000 0.792 -1.340) 1.557 9.617 ( 0.000 5.650 3.280) 6.533 9.663 ( 0.000 1.859 -1.682) 2.507 10.171 ( 0.000 3.613 11.550) 12.102 10.230 ( 0.000 -0.802 6.022) 6.075 10.377 ( 0.000 3.038 0.949) 3.183 10.392 ( 0.000 0.771 1.744) 1.907 10.861 ( 0.000 11.700 1.885) 11.851 10.920 ( 0.000 6.032 1.340) 6.179 11.004 ( 0.000 5.416 -4.997) 7.369 11.021 ( 0.000 2.463 -1.529) 2.899 11.296 ( 0.000 10.077 1.630) 10.208 11.375 ( 0.000 3.096 -0.846) 3.210 11.536 ( 0.000 4.292 -12.667) 13.374 11.542 ( 0.000 5.717 -9.800) 11.346 11.886 ( 0.000 8.704 6.408) 10.809 11.938 ( 0.000 4.442 1.509) 4.691 12.390 ( 0.000 14.251 2.641) 14.493 12.432 ( 0.000 7.248 0.494) 7.265 12.453 ( 0.000 -1.111 1.051) 1.530 12.461 ( 0.000 -3.283 -1.784) 3.737 12.594 ( 0.000 -0.159 4.197) 4.200 12.675 ( 0.000 4.239 -4.081) 5.884 12.886 ( 0.000 -9.855 3.119) 10.337 12.983 ( 0.000 -12.007 -5.831) 13.348 13.212 ( 0.000 -5.557 7.779) 9.559 13.252 ( 0.000 -7.499 3.385) 8.228 13.972 ( 0.000 12.744 -3.895) 13.326 14.032 ( 0.000 10.139 -9.446) 13.857 14.265 ( 0.000 -13.910 -3.360) 14.310 14.303 ( 0.000 -13.524 -6.753) 15.116 15.258 ( 0.000 12.294 5.474) 13.458 15.339 ( 0.000 9.936 -2.585) 10.267 15.480 ( 0.000 -2.272 2.138) 3.119 15.496 ( 0.000 -9.527 0.291) 9.532 15.906 ( 0.000 -2.921 -2.395) 3.777 15.915 ( 0.000 -4.683 -2.682) 5.396 16.419 ( 0.000 -5.251 -0.981) 5.342 16.454 ( 0.000 -7.963 -4.428) 9.111 17.552 ( 0.000 6.714 6.860) 9.599 17.626 ( 0.000 4.647 -0.437) 4.667 17.709 ( 0.000 -8.870 4.746) 10.060 17.743 ( 0.000 -6.932 1.365) 7.065 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.755 3.744 5.162) 6.421 2.120 ( 0.018 -1.344 1.123) 1.752 2.170 ( -3.158 1.235 0.488) 3.426 2.205 ( -3.106 -1.902 -1.597) 3.977 2.399 ( 2.650 3.136 2.464) 4.788 2.418 ( 2.512 1.367 0.642) 2.931 2.482 ( -2.203 4.487 3.172) 5.920 2.507 ( -3.280 2.818 0.461) 4.349 2.619 ( 0.281 2.392 3.499) 4.247 2.667 ( 1.797 -0.808 0.033) 1.970 2.799 ( -4.416 1.606 5.165) 6.983 2.824 ( 0.550 0.391 2.072) 2.179 2.842 ( 0.334 2.766 2.966) 4.069 2.907 ( -5.836 -2.426 -1.853) 6.586 2.980 ( -0.282 -2.594 0.757) 2.717 2.994 ( -0.533 -5.088 -0.976) 5.208 3.215 ( 5.012 0.822 0.223) 5.084 3.240 ( 4.724 -1.364 0.899) 4.999 3.312 ( 2.197 0.157 -3.180) 3.868 3.344 ( 0.345 -3.230 -4.369) 5.444 3.452 ( 2.855 -1.102 -0.844) 3.175 3.480 ( 2.294 -1.416 -3.409) 4.346 3.544 ( 0.690 -1.675 0.436) 1.863 3.587 ( 0.081 -4.051 -3.213) 5.171 3.867 ( -0.648 1.575 4.208) 4.540 3.911 ( -0.561 -2.425 1.287) 2.803 4.010 ( -6.664 2.399 -1.220) 7.187 4.050 ( -6.482 -1.332 -3.758) 7.611 4.547 ( -0.633 13.574 3.842) 14.122 4.574 ( -1.162 11.969 1.187) 12.084 4.646 ( 2.913 3.706 4.327) 6.399 4.727 ( 1.197 -1.475 -2.182) 2.893 4.748 ( 7.186 0.949 0.656) 7.278 4.785 ( 6.446 0.909 -1.832) 6.763 4.939 ( -0.391 0.167 -2.108) 2.150 4.949 ( -0.000 0.087 -2.967) 2.968 5.252 ( -1.025 2.241 2.901) 3.806 5.277 ( -1.109 1.961 0.667) 2.350 5.325 ( -3.593 -2.902 2.303) 5.161 5.352 ( -2.910 -4.778 -0.298) 5.602 5.546 ( 0.637 0.989 1.473) 1.885 5.565 ( 0.319 -1.859 0.493) 1.949 5.596 ( 0.213 -1.568 0.094) 1.585 5.620 ( -0.476 -4.424 -1.457) 4.682 6.603 ( 2.203 8.950 5.128) 10.548 6.662 ( 1.010 4.503 0.120) 4.616 6.717 ( -1.031 8.945 3.334) 9.602 6.761 ( -0.758 7.784 -0.787) 7.861 6.846 ( 2.291 11.706 3.322) 12.383 6.918 ( -0.837 5.158 0.157) 5.227 6.960 ( 1.164 1.034 -3.886) 4.186 6.980 ( 1.620 -1.351 -3.551) 4.130 7.178 ( 1.744 -1.581 -5.973) 6.420 7.192 ( 0.927 -1.903 -6.119) 6.475 7.395 ( -5.403 -5.565 0.178) 7.759 7.424 ( -5.582 -7.802 -2.586) 9.936 8.148 ( 0.371 7.086 3.613) 7.963 8.223 ( -1.634 2.708 0.546) 3.210 8.294 ( -5.388 2.485 -1.595) 6.144 8.379 ( -7.250 -2.579 -6.430) 10.028 8.621 ( 9.493 0.112 1.268) 9.578 8.647 ( 8.618 -2.083 -1.728) 9.033 8.988 ( -2.189 2.859 2.241) 4.241 8.990 ( -0.693 2.789 1.973) 3.486 9.323 ( 12.671 10.058 1.350) 16.234 9.377 ( 10.724 5.847 -2.637) 12.496 9.629 ( 2.421 2.554 3.293) 4.819 9.671 ( 1.248 -0.502 -1.195) 1.799 10.160 ( 1.071 4.172 6.213) 7.560 10.218 ( -0.693 -0.531 4.536) 4.620 10.351 ( -2.932 4.290 -3.276) 6.143 10.420 ( -0.848 -1.821 -5.887) 6.221 10.794 ( -3.771 10.736 8.338) 14.107 10.870 ( -3.349 2.164 5.321) 6.649 10.922 ( -3.998 8.855 -1.741) 9.871 11.003 ( -3.795 -1.197 -0.770) 4.053 11.360 ( 3.191 11.801 -1.447) 12.310 11.390 ( 1.539 8.463 -0.962) 8.655 11.525 ( -0.918 5.147 -7.611) 9.234 11.536 ( -0.075 3.868 -10.358) 11.057 11.953 ( 6.474 9.929 4.253) 12.593 11.979 ( 4.293 7.777 1.802) 9.064 12.366 ( -4.753 7.926 2.104) 9.478 12.392 ( -4.537 -0.135 0.409) 4.557 12.429 ( 0.309 4.077 2.627) 4.859 12.495 ( 2.980 -4.298 -3.161) 6.111 12.564 ( -5.127 6.261 5.582) 9.831 12.652 ( -0.901 9.582 -3.748) 10.328 12.870 ( -0.553 -13.590 3.817) 14.127 12.952 ( -2.636 -13.204 -3.173) 13.833 13.107 ( -6.715 -8.167 4.533) 11.504 13.165 ( -6.791 -11.118 -0.176) 13.030 13.986 ( 1.373 13.549 -3.534) 14.069 14.037 ( -0.226 11.909 -8.200) 14.461 14.275 ( 0.930 -14.262 -3.394) 14.689 14.304 ( -0.089 -13.554 -6.093) 14.861 15.290 ( 2.527 11.993 5.085) 13.269 15.350 ( 0.348 10.502 -0.502) 10.520 15.499 ( 1.469 -5.291 0.766) 5.544 15.507 ( 0.835 -8.510 0.008) 8.551 15.955 ( 5.076 1.189 -0.986) 5.306 15.988 ( 5.598 -0.226 -4.269) 7.044 16.374 ( -3.953 -8.684 -1.070) 9.601 16.408 ( -4.253 -10.590 -4.434) 12.243 17.566 ( 1.236 6.281 5.866) 8.683 17.618 ( -0.780 4.811 0.702) 4.925 17.714 ( 0.469 -8.483 4.282) 9.514 17.738 ( -0.461 -7.093 1.896) 7.356 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -2.702 2.335 1.125) 3.745 2.104 ( 2.702 2.335 1.125) 3.745 2.144 ( -2.209 -1.762 -0.442) 2.860 2.144 ( 2.209 -1.762 -0.442) 2.860 2.449 ( -1.859 3.816 2.482) 4.918 2.449 ( 1.859 3.816 2.482) 4.918 2.454 ( -1.584 3.424 2.388) 4.465 2.454 ( 1.584 3.424 2.388) 4.465 2.652 ( -2.975 4.881 2.485) 6.233 2.652 ( 2.975 4.881 2.485) 6.233 2.772 ( -3.490 -5.941 0.736) 6.929 2.772 ( 3.490 -5.941 0.736) 6.929 2.869 ( -0.923 3.488 0.326) 3.623 2.869 ( 0.923 3.488 0.326) 3.623 2.976 ( -0.430 -7.000 1.099) 7.099 2.976 ( 0.430 -7.000 1.099) 7.099 3.282 ( -1.205 2.796 1.578) 3.429 3.282 ( 1.205 2.796 1.578) 3.429 3.345 ( -1.338 -2.156 -2.962) 3.900 3.345 ( 1.338 -2.156 -2.962) 3.900 3.499 ( -1.164 0.973 -1.872) 2.409 3.499 ( 1.164 0.973 -1.872) 2.409 3.575 ( -1.640 -6.183 -2.621) 6.913 3.575 ( 1.640 -6.183 -2.621) 6.913 3.890 ( -3.591 1.607 1.286) 4.139 3.890 ( 3.591 1.607 1.286) 4.139 3.936 ( -3.453 -2.840 0.169) 4.474 3.936 ( 3.453 -2.840 0.169) 4.474 4.553 ( -0.908 16.639 2.906) 16.915 4.553 ( 0.908 16.639 2.906) 16.915 4.703 ( -2.286 1.975 -0.062) 3.022 4.703 ( 2.286 1.975 -0.062) 3.022 4.885 ( -3.825 0.410 -1.241) 4.042 4.885 ( 3.825 0.410 -1.241) 4.042 4.917 ( -3.049 -2.326 -2.147) 4.395 4.917 ( 3.049 -2.326 -2.147) 4.395 5.247 ( -1.113 0.737 2.754) 3.060 5.247 ( 1.113 0.737 2.754) 3.060 5.297 ( -1.506 -2.232 0.241) 2.704 5.297 ( 1.506 -2.232 0.241) 2.704 5.563 ( -0.741 -0.328 1.494) 1.700 5.563 ( 0.741 -0.328 1.494) 1.700 5.604 ( -0.840 -3.332 -1.339) 3.688 5.604 ( 0.840 -3.332 -1.339) 3.688 6.659 ( -2.649 9.105 3.876) 10.244 6.659 ( 2.649 9.105 3.876) 10.244 6.721 ( -2.545 3.413 0.881) 4.348 6.721 ( 2.545 3.413 0.881) 4.348 6.894 ( -1.803 11.469 0.710) 11.632 6.894 ( 1.803 11.469 0.710) 11.632 6.987 ( -0.985 1.119 -4.464) 4.707 6.987 ( 0.985 1.119 -4.464) 4.707 7.217 ( -0.424 -0.713 -4.188) 4.270 7.217 ( 0.424 -0.713 -4.188) 4.270 7.325 ( -1.487 -9.382 -3.092) 9.990 7.325 ( 1.487 -9.382 -3.092) 9.990 8.179 ( -2.916 5.670 1.206) 6.489 8.179 ( 2.916 5.670 1.206) 6.489 8.252 ( -3.701 -1.309 -1.232) 4.114 8.252 ( 3.701 -1.309 -1.232) 4.114 8.834 ( -2.930 3.938 1.530) 5.142 8.834 ( 2.930 3.938 1.530) 5.142 8.897 ( -3.179 -2.689 2.176) 4.698 8.897 ( 3.179 -2.689 2.176) 4.698 9.472 ( -1.240 16.427 0.435) 16.480 9.472 ( 1.240 16.427 0.435) 16.480 9.702 ( -0.873 -6.679 1.277) 6.856 9.702 ( 0.873 -6.679 1.277) 6.856 10.245 ( -3.958 4.453 -3.933) 7.139 10.245 ( 3.958 4.453 -3.932) 7.139 10.286 ( -6.947 0.734 -5.382) 8.818 10.286 ( 6.947 0.734 -5.382) 8.819 10.814 ( -3.621 7.399 7.600) 11.208 10.814 ( 3.621 7.399 7.600) 11.208 10.901 ( -3.995 -0.982 3.691) 5.527 10.901 ( 3.995 -0.982 3.691) 5.527 11.398 ( -1.126 14.678 -1.496) 14.797 11.398 ( 1.126 14.678 -1.496) 14.797 11.529 ( -0.740 2.221 -7.896) 8.236 11.529 ( 0.740 2.221 -7.896) 8.236 12.079 ( -0.394 16.347 2.511) 16.544 12.079 ( 0.394 16.347 2.511) 16.544 12.265 ( -2.385 -2.013 0.633) 3.184 12.265 ( 2.385 -2.013 0.633) 3.184 12.462 ( -3.107 5.029 6.625) 8.879 12.462 ( 3.107 5.029 6.625) 8.879 12.587 ( -5.324 -0.983 -4.853) 7.271 12.587 ( 5.324 -0.983 -4.853) 7.271 12.898 ( -2.979 -7.440 3.597) 8.784 12.898 ( 2.979 -7.440 3.597) 8.784 13.056 ( -2.553 -14.780 -2.288) 15.172 13.056 ( 2.553 -14.780 -2.288) 15.172 14.017 ( -1.485 13.491 -5.346) 14.588 14.017 ( 1.485 13.491 -5.346) 14.588 14.295 ( -0.827 -13.963 -4.563) 14.713 14.295 ( 0.827 -13.963 -4.563) 14.713 15.337 ( -1.661 11.146 3.038) 11.672 15.337 ( 1.661 11.146 3.038) 11.672 15.518 ( -0.127 -7.723 -0.272) 7.729 15.518 ( 0.127 -7.723 -0.272) 7.729 16.055 ( -1.795 8.976 -2.561) 9.505 16.055 ( 1.795 8.976 -2.561) 9.505 16.325 ( -1.604 -16.837 -3.010) 17.179 16.325 ( 1.604 -16.837 -3.010) 17.179 17.595 ( -1.436 5.406 3.369) 6.530 17.595 ( 1.436 5.406 3.369) 6.530 17.726 ( -0.647 -7.668 3.110) 8.300 17.726 ( 0.647 -7.668 3.110) 8.300 =================== 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 3/27216 10.0 1495.877 2080.271 1759.920 0.000 0.000 -0.000 3/27216 20.0 315.625 405.940 344.833 0.000 0.000 0.000 3/27216 30.0 109.710 155.351 124.611 0.000 0.000 0.000 3/27216 40.0 56.298 80.917 64.797 0.000 0.000 0.000 3/27216 50.0 35.532 51.090 40.892 0.000 0.000 -0.000 3/27216 60.0 25.176 36.177 28.877 0.000 0.000 -0.000 3/27216 70.0 19.150 27.547 21.892 0.000 0.000 -0.000 3/27216 80.0 15.274 22.035 17.415 0.000 0.000 -0.000 3/27216 90.0 12.606 18.260 14.344 0.000 0.000 -0.000 3/27216 100.0 10.675 15.539 12.128 0.000 0.000 -0.000 3/27216 110.0 9.226 13.499 10.467 0.000 0.000 0.000 3/27216 120.0 8.105 11.920 9.185 0.000 0.000 0.000 3/27216 130.0 7.216 10.668 8.170 0.000 0.000 0.000 3/27216 140.0 6.497 9.652 7.350 0.000 0.000 0.000 3/27216 150.0 5.905 8.814 6.676 0.000 0.000 0.000 3/27216 160.0 5.411 8.111 6.113 0.000 0.000 0.000 3/27216 170.0 4.992 7.514 5.637 0.000 0.000 0.000 3/27216 180.0 4.633 7.000 5.230 0.000 0.000 0.000 3/27216 190.0 4.323 6.554 4.878 0.000 0.000 0.000 3/27216 200.0 4.052 6.163 4.571 0.000 0.000 0.000 3/27216 210.0 3.814 5.817 4.300 0.000 0.000 0.000 3/27216 220.0 3.603 5.510 4.061 0.000 0.000 0.000 3/27216 230.0 3.414 5.234 3.848 0.000 0.000 0.000 3/27216 240.0 3.244 4.985 3.656 0.000 0.000 0.000 3/27216 250.0 3.091 4.760 3.483 0.000 0.000 0.000 3/27216 260.0 2.952 4.555 3.326 0.000 0.000 0.000 3/27216 270.0 2.826 4.367 3.183 0.000 0.000 0.000 3/27216 280.0 2.710 4.195 3.052 0.000 0.000 0.000 3/27216 290.0 2.603 4.036 2.932 0.000 0.000 0.000 3/27216 300.0 2.505 3.889 2.821 0.000 0.000 0.000 3/27216 310.0 2.414 3.753 2.719 0.000 0.000 0.000 3/27216 320.0 2.330 3.626 2.624 0.000 0.000 0.000 3/27216 330.0 2.251 3.508 2.535 0.000 0.000 0.000 3/27216 340.0 2.178 3.398 2.453 0.000 0.000 0.000 3/27216 350.0 2.110 3.294 2.376 0.000 0.000 0.000 3/27216 360.0 2.046 3.197 2.304 0.000 0.000 0.000 3/27216 370.0 1.985 3.105 2.236 0.000 0.000 0.000 3/27216 380.0 1.929 3.019 2.172 0.000 0.000 0.000 3/27216 390.0 1.875 2.937 2.111 0.000 0.000 0.000 3/27216 400.0 1.825 2.860 2.055 0.000 0.000 0.000 3/27216 410.0 1.777 2.787 2.001 0.000 0.000 0.000 3/27216 420.0 1.731 2.717 1.950 0.000 0.000 0.000 3/27216 430.0 1.688 2.651 1.901 0.000 0.000 0.000 3/27216 440.0 1.648 2.589 1.855 0.000 0.000 0.000 3/27216 450.0 1.609 2.529 1.811 0.000 0.000 0.000 3/27216 460.0 1.572 2.472 1.770 0.000 0.000 0.000 3/27216 470.0 1.536 2.417 1.730 0.000 0.000 0.000 3/27216 480.0 1.503 2.365 1.692 0.000 0.000 0.000 3/27216 490.0 1.470 2.315 1.656 0.000 0.000 0.000 3/27216 500.0 1.439 2.267 1.621 0.000 0.000 0.000 3/27216 510.0 1.410 2.221 1.587 0.000 0.000 0.000 3/27216 520.0 1.381 2.177 1.556 0.000 0.000 0.000 3/27216 530.0 1.354 2.135 1.525 0.000 0.000 0.000 3/27216 540.0 1.328 2.095 1.495 0.000 0.000 0.000 3/27216 550.0 1.303 2.055 1.467 0.000 0.000 0.000 3/27216 560.0 1.279 2.018 1.440 0.000 0.000 0.000 3/27216 570.0 1.255 1.982 1.414 0.000 0.000 0.000 3/27216 580.0 1.233 1.947 1.388 0.000 0.000 0.000 3/27216 590.0 1.211 1.913 1.364 0.000 0.000 0.000 3/27216 600.0 1.190 1.880 1.340 0.000 0.000 0.000 3/27216 610.0 1.170 1.849 1.318 0.000 0.000 0.000 3/27216 620.0 1.151 1.818 1.296 0.000 0.000 0.000 3/27216 630.0 1.132 1.789 1.274 0.000 0.000 0.000 3/27216 640.0 1.113 1.760 1.254 0.000 0.000 0.000 3/27216 650.0 1.096 1.733 1.234 0.000 0.000 0.000 3/27216 660.0 1.079 1.706 1.215 0.000 0.000 0.000 3/27216 670.0 1.062 1.680 1.196 0.000 0.000 0.000 3/27216 680.0 1.046 1.655 1.178 0.000 0.000 0.000 3/27216 690.0 1.031 1.631 1.161 0.000 0.000 0.000 3/27216 700.0 1.015 1.607 1.144 0.000 0.000 0.000 3/27216 710.0 1.001 1.584 1.127 0.000 0.000 0.000 3/27216 720.0 0.987 1.562 1.111 0.000 0.000 0.000 3/27216 730.0 0.973 1.540 1.095 0.000 0.000 0.000 3/27216 740.0 0.959 1.519 1.080 0.000 0.000 0.000 3/27216 750.0 0.946 1.498 1.066 0.000 0.000 0.000 3/27216 760.0 0.933 1.478 1.051 0.000 0.000 0.000 3/27216 770.0 0.921 1.459 1.037 0.000 0.000 0.000 3/27216 780.0 0.909 1.440 1.024 0.000 0.000 0.000 3/27216 790.0 0.897 1.422 1.011 0.000 0.000 0.000 3/27216 800.0 0.886 1.404 0.998 0.000 0.000 0.000 3/27216 810.0 0.875 1.386 0.985 0.000 0.000 0.000 3/27216 820.0 0.864 1.369 0.973 0.000 0.000 0.000 3/27216 830.0 0.853 1.352 0.961 0.000 0.000 0.000 3/27216 840.0 0.843 1.336 0.949 0.000 0.000 0.000 3/27216 850.0 0.833 1.320 0.938 0.000 0.000 0.000 3/27216 860.0 0.823 1.305 0.927 0.000 0.000 0.000 3/27216 870.0 0.813 1.289 0.916 0.000 0.000 0.000 3/27216 880.0 0.804 1.275 0.905 0.000 0.000 0.000 3/27216 890.0 0.795 1.260 0.895 0.000 0.000 0.000 3/27216 900.0 0.786 1.246 0.885 0.000 0.000 0.000 3/27216 910.0 0.777 1.232 0.875 0.000 0.000 0.000 3/27216 920.0 0.768 1.219 0.865 0.000 0.000 0.000 3/27216 930.0 0.760 1.205 0.856 0.000 0.000 0.000 3/27216 940.0 0.752 1.193 0.847 0.000 0.000 0.000 3/27216 950.0 0.744 1.180 0.838 0.000 0.000 0.000 3/27216 960.0 0.736 1.168 0.829 0.000 0.000 0.000 3/27216 970.0 0.728 1.155 0.820 0.000 0.000 0.000 3/27216 980.0 0.721 1.143 0.812 0.000 0.000 0.000 3/27216 990.0 0.713 1.132 0.803 0.000 0.000 0.000 3/27216 1000.0 0.706 1.120 0.795 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:11:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|