----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:23:33]------------------------- 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: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522610590051256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -1.534266093333137 0.000000000000000 7.642702196251072 Atomic positions (fractional): *1 La 0.26044610411584 0.40435328998026 0.45669059614847 138.905 *2 La 0.66365324248440 0.16557072296856 0.63497305484411 138.905 3 La 0.26044610411584 0.09564671001974 0.95669059614847 138.905 4 La 0.33634675751560 0.66557072296856 0.86502694515589 138.905 5 La 0.73955389588416 0.90435328998026 0.04330940385153 138.905 6 La 0.33634675751560 0.83442927703144 0.36502694515589 138.905 7 La 0.66365324248440 0.33442927703144 0.13497305484411 138.905 8 La 0.73955389588416 0.59564671001974 0.54330940385153 138.905 *9 Si 0.17026457463655 0.38317470033618 0.90561516699039 28.085 10 Si 0.82973542536345 0.61682529966382 0.09438483300961 28.085 11 Si 0.82973542536345 0.88317470033618 0.59438483300961 28.085 12 Si 0.17026457463655 0.11682529966382 0.40561516699039 28.085 *13 S 0.97402056616247 0.22854066644658 0.45090613615697 32.065 *14 S 0.64076589614979 0.37931419048698 0.49979133820804 32.065 *15 S 0.62386641508734 0.70340384156216 0.19431208875317 32.065 16 S 0.35923410385021 0.62068580951302 0.50020866179196 32.065 17 S 0.64076589614979 0.12068580951302 0.99979133820804 32.065 18 S 0.02597943383753 0.72854066644658 0.04909386384303 32.065 *19 S 0.32682772893987 0.02794670208864 0.61421969232689 32.065 *20 S 0.07753440067240 0.99829461923938 0.21767107763873 32.065 21 S 0.67317227106013 0.52794670208864 0.88578030767311 32.065 22 S 0.07753440067240 0.50170538076062 0.71767107763873 32.065 23 S 0.37613358491266 0.29659615843783 0.80568791124683 32.065 24 S 0.92246559932760 0.00170538076063 0.78232892236127 32.065 25 S 0.97402056616247 0.27145933355342 0.95090613615697 32.065 26 S 0.32682772893987 0.47205329791136 0.11421969232689 32.065 27 S 0.02597943383753 0.77145933355342 0.54909386384303 32.065 28 S 0.67317227106013 0.97205329791136 0.38578030767311 32.065 29 S 0.92246559932760 0.49829461923938 0.28232892236127 32.065 30 S 0.35923410385021 0.87931419048698 0.00020866179196 32.065 31 S 0.37613358491266 0.20340384156217 0.30568791124683 32.065 32 S 0.62386641508734 0.79659615843784 0.69431208875317 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.522610590051256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -1.534266093333137 0.000000000000000 7.642702196251072 Atomic positions (fractional): *1 La 0.26044610411584 0.40435328998026 0.45669059614847 138.905 > 1 *2 La 0.66365324248440 0.16557072296856 0.63497305484411 138.905 > 2 3 La 0.26044610411584 0.09564671001974 0.95669059614847 138.905 > 3 4 La 0.33634675751560 0.66557072296856 0.86502694515589 138.905 > 4 5 La 0.73955389588416 0.90435328998026 0.04330940385153 138.905 > 5 6 La 0.33634675751560 0.83442927703144 0.36502694515589 138.905 > 6 7 La 0.66365324248440 0.33442927703144 0.13497305484411 138.905 > 7 8 La 0.73955389588416 0.59564671001974 0.54330940385153 138.905 > 8 *9 Si 0.17026457463655 0.38317470033618 0.90561516699039 28.085 > 9 10 Si 0.82973542536345 0.61682529966382 0.09438483300961 28.085 > 10 11 Si 0.82973542536345 0.88317470033618 0.59438483300961 28.085 > 11 12 Si 0.17026457463655 0.11682529966382 0.40561516699039 28.085 > 12 *13 S 0.97402056616247 0.22854066644658 0.45090613615697 32.065 > 13 *14 S 0.64076589614979 0.37931419048698 0.49979133820804 32.065 > 14 *15 S 0.62386641508734 0.70340384156216 0.19431208875317 32.065 > 15 16 S 0.35923410385021 0.62068580951302 0.50020866179196 32.065 > 16 17 S 0.64076589614979 0.12068580951302 0.99979133820804 32.065 > 17 18 S 0.02597943383753 0.72854066644658 0.04909386384303 32.065 > 18 *19 S 0.32682772893987 0.02794670208864 0.61421969232689 32.065 > 19 *20 S 0.07753440067240 0.99829461923938 0.21767107763873 32.065 > 20 21 S 0.67317227106013 0.52794670208864 0.88578030767311 32.065 > 21 22 S 0.07753440067240 0.50170538076062 0.71767107763873 32.065 > 22 23 S 0.37613358491266 0.29659615843783 0.80568791124683 32.065 > 23 24 S 0.92246559932760 0.00170538076063 0.78232892236127 32.065 > 24 25 S 0.97402056616247 0.27145933355342 0.95090613615697 32.065 > 25 26 S 0.32682772893987 0.47205329791136 0.11421969232689 32.065 > 26 27 S 0.02597943383753 0.77145933355342 0.54909386384303 32.065 > 27 28 S 0.67317227106013 0.97205329791136 0.38578030767311 32.065 > 28 29 S 0.92246559932760 0.49829461923938 0.28232892236127 32.065 > 29 30 S 0.35923410385021 0.87931419048698 0.00020866179196 32.065 > 30 31 S 0.37613358491266 0.20340384156217 0.30568791124683 32.065 > 31 32 S 0.62386641508734 0.79659615843784 0.69431208875317 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.045221180102512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -3.068532186666274 0.000000000000000 15.285404392502144 Atomic positions (fractional): *1 La 0.13022305205792 0.40435328998026 0.22834529807423 138.905 > 1 2 La 0.63022305205792 0.40435328998026 0.22834529807423 138.905 > 1 3 La 0.13022305205792 0.40435328998026 0.72834529807423 138.905 > 1 4 La 0.63022305205792 0.40435328998026 0.72834529807423 138.905 > 1 *5 La 0.33182662124220 0.16557072296856 0.31748652742206 138.905 > 2 6 La 0.83182662124220 0.16557072296856 0.31748652742206 138.905 > 2 7 La 0.33182662124220 0.16557072296856 0.81748652742206 138.905 > 2 8 La 0.83182662124220 0.16557072296856 0.81748652742206 138.905 > 2 9 La 0.13022305205792 0.09564671001974 0.47834529807423 138.905 > 3 10 La 0.63022305205792 0.09564671001974 0.47834529807423 138.905 > 3 11 La 0.13022305205792 0.09564671001974 0.97834529807423 138.905 > 3 12 La 0.63022305205792 0.09564671001974 0.97834529807423 138.905 > 3 13 La 0.16817337875780 0.66557072296856 0.43251347257794 138.905 > 4 14 La 0.66817337875780 0.66557072296856 0.43251347257794 138.905 > 4 15 La 0.16817337875780 0.66557072296856 0.93251347257794 138.905 > 4 16 La 0.66817337875780 0.66557072296856 0.93251347257794 138.905 > 4 17 La 0.36977694794208 0.90435328998026 0.02165470192577 138.905 > 5 18 La 0.86977694794208 0.90435328998026 0.02165470192577 138.905 > 5 19 La 0.36977694794208 0.90435328998026 0.52165470192577 138.905 > 5 20 La 0.86977694794208 0.90435328998026 0.52165470192577 138.905 > 5 21 La 0.16817337875780 0.83442927703144 0.18251347257795 138.905 > 6 22 La 0.66817337875780 0.83442927703144 0.18251347257795 138.905 > 6 23 La 0.16817337875780 0.83442927703144 0.68251347257795 138.905 > 6 24 La 0.66817337875780 0.83442927703144 0.68251347257795 138.905 > 6 25 La 0.33182662124220 0.33442927703144 0.06748652742206 138.905 > 7 26 La 0.83182662124220 0.33442927703144 0.06748652742206 138.905 > 7 27 La 0.33182662124220 0.33442927703144 0.56748652742205 138.905 > 7 28 La 0.83182662124220 0.33442927703144 0.56748652742205 138.905 > 7 29 La 0.36977694794208 0.59564671001974 0.27165470192577 138.905 > 8 30 La 0.86977694794208 0.59564671001974 0.27165470192577 138.905 > 8 31 La 0.36977694794208 0.59564671001974 0.77165470192577 138.905 > 8 32 La 0.86977694794208 0.59564671001974 0.77165470192577 138.905 > 8 *33 Si 0.08513228731827 0.38317470033618 0.45280758349520 28.085 > 9 34 Si 0.58513228731827 0.38317470033618 0.45280758349520 28.085 > 9 35 Si 0.08513228731827 0.38317470033618 0.95280758349520 28.085 > 9 36 Si 0.58513228731827 0.38317470033618 0.95280758349520 28.085 > 9 37 Si 0.41486771268173 0.61682529966382 0.04719241650480 28.085 > 10 38 Si 0.91486771268173 0.61682529966382 0.04719241650480 28.085 > 10 39 Si 0.41486771268173 0.61682529966382 0.54719241650480 28.085 > 10 40 Si 0.91486771268173 0.61682529966382 0.54719241650480 28.085 > 10 41 Si 0.41486771268173 0.88317470033618 0.29719241650480 28.085 > 11 42 Si 0.91486771268173 0.88317470033618 0.29719241650480 28.085 > 11 43 Si 0.41486771268173 0.88317470033618 0.79719241650480 28.085 > 11 44 Si 0.91486771268173 0.88317470033618 0.79719241650480 28.085 > 11 45 Si 0.08513228731827 0.11682529966382 0.20280758349520 28.085 > 12 46 Si 0.58513228731827 0.11682529966382 0.20280758349520 28.085 > 12 47 Si 0.08513228731827 0.11682529966382 0.70280758349520 28.085 > 12 48 Si 0.58513228731827 0.11682529966382 0.70280758349520 28.085 > 12 *49 S 0.48701028308123 0.22854066644658 0.22545306807848 32.065 > 13 50 S 0.98701028308123 0.22854066644658 0.22545306807848 32.065 > 13 51 S 0.48701028308123 0.22854066644658 0.72545306807848 32.065 > 13 52 S 0.98701028308123 0.22854066644658 0.72545306807848 32.065 > 13 *53 S 0.32038294807490 0.37931419048698 0.24989566910402 32.065 > 14 54 S 0.82038294807490 0.37931419048698 0.24989566910402 32.065 > 14 55 S 0.32038294807490 0.37931419048698 0.74989566910402 32.065 > 14 56 S 0.82038294807490 0.37931419048698 0.74989566910402 32.065 > 14 *57 S 0.31193320754367 0.70340384156216 0.09715604437659 32.065 > 15 58 S 0.81193320754367 0.70340384156216 0.09715604437659 32.065 > 15 59 S 0.31193320754367 0.70340384156216 0.59715604437659 32.065 > 15 60 S 0.81193320754367 0.70340384156216 0.59715604437659 32.065 > 15 61 S 0.17961705192510 0.62068580951302 0.25010433089598 32.065 > 16 62 S 0.67961705192510 0.62068580951302 0.25010433089598 32.065 > 16 63 S 0.17961705192510 0.62068580951302 0.75010433089598 32.065 > 16 64 S 0.67961705192510 0.62068580951302 0.75010433089598 32.065 > 16 65 S 0.32038294807490 0.12068580951302 0.49989566910402 32.065 > 17 66 S 0.82038294807490 0.12068580951302 0.49989566910402 32.065 > 17 67 S 0.32038294807490 0.12068580951302 0.99989566910402 32.065 > 17 68 S 0.82038294807490 0.12068580951302 0.99989566910402 32.065 > 17 69 S 0.01298971691877 0.72854066644658 0.02454693192152 32.065 > 18 70 S 0.51298971691877 0.72854066644658 0.02454693192152 32.065 > 18 71 S 0.01298971691877 0.72854066644658 0.52454693192152 32.065 > 18 72 S 0.51298971691877 0.72854066644658 0.52454693192152 32.065 > 18 *73 S 0.16341386446994 0.02794670208864 0.30710984616344 32.065 > 19 74 S 0.66341386446994 0.02794670208864 0.30710984616344 32.065 > 19 75 S 0.16341386446994 0.02794670208864 0.80710984616344 32.065 > 19 76 S 0.66341386446994 0.02794670208864 0.80710984616344 32.065 > 19 *77 S 0.03876720033620 0.99829461923938 0.10883553881937 32.065 > 20 78 S 0.53876720033620 0.99829461923938 0.10883553881937 32.065 > 20 79 S 0.03876720033620 0.99829461923938 0.60883553881937 32.065 > 20 80 S 0.53876720033620 0.99829461923938 0.60883553881937 32.065 > 20 81 S 0.33658613553006 0.52794670208864 0.44289015383656 32.065 > 21 82 S 0.83658613553006 0.52794670208864 0.44289015383656 32.065 > 21 83 S 0.33658613553006 0.52794670208864 0.94289015383656 32.065 > 21 84 S 0.83658613553006 0.52794670208864 0.94289015383656 32.065 > 21 85 S 0.03876720033620 0.50170538076062 0.35883553881937 32.065 > 22 86 S 0.53876720033620 0.50170538076062 0.35883553881937 32.065 > 22 87 S 0.03876720033620 0.50170538076062 0.85883553881937 32.065 > 22 88 S 0.53876720033620 0.50170538076062 0.85883553881937 32.065 > 22 89 S 0.18806679245633 0.29659615843783 0.40284395562341 32.065 > 23 90 S 0.68806679245633 0.29659615843783 0.40284395562341 32.065 > 23 91 S 0.18806679245633 0.29659615843783 0.90284395562341 32.065 > 23 92 S 0.68806679245633 0.29659615843783 0.90284395562341 32.065 > 23 93 S 0.46123279966380 0.00170538076063 0.39116446118063 32.065 > 24 94 S 0.96123279966380 0.00170538076063 0.39116446118063 32.065 > 24 95 S 0.46123279966380 0.00170538076063 0.89116446118063 32.065 > 24 96 S 0.96123279966380 0.00170538076063 0.89116446118063 32.065 > 24 97 S 0.48701028308123 0.27145933355342 0.47545306807848 32.065 > 25 98 S 0.98701028308123 0.27145933355342 0.47545306807848 32.065 > 25 99 S 0.48701028308123 0.27145933355342 0.97545306807848 32.065 > 25 100 S 0.98701028308123 0.27145933355342 0.97545306807848 32.065 > 25 101 S 0.16341386446994 0.47205329791136 0.05710984616344 32.065 > 26 102 S 0.66341386446994 0.47205329791136 0.05710984616344 32.065 > 26 103 S 0.16341386446994 0.47205329791136 0.55710984616344 32.065 > 26 104 S 0.66341386446994 0.47205329791136 0.55710984616344 32.065 > 26 105 S 0.01298971691877 0.77145933355342 0.27454693192152 32.065 > 27 106 S 0.51298971691877 0.77145933355342 0.27454693192152 32.065 > 27 107 S 0.01298971691877 0.77145933355342 0.77454693192152 32.065 > 27 108 S 0.51298971691877 0.77145933355342 0.77454693192152 32.065 > 27 109 S 0.33658613553006 0.97205329791136 0.19289015383656 32.065 > 28 110 S 0.83658613553006 0.97205329791136 0.19289015383656 32.065 > 28 111 S 0.33658613553006 0.97205329791136 0.69289015383656 32.065 > 28 112 S 0.83658613553006 0.97205329791136 0.69289015383656 32.065 > 28 113 S 0.46123279966380 0.49829461923938 0.14116446118063 32.065 > 29 114 S 0.96123279966380 0.49829461923938 0.14116446118063 32.065 > 29 115 S 0.46123279966380 0.49829461923938 0.64116446118063 32.065 > 29 116 S 0.96123279966380 0.49829461923938 0.64116446118063 32.065 > 29 117 S 0.17961705192510 0.87931419048698 0.00010433089598 32.065 > 30 118 S 0.67961705192510 0.87931419048698 0.00010433089598 32.065 > 30 119 S 0.17961705192510 0.87931419048698 0.50010433089598 32.065 > 30 120 S 0.67961705192510 0.87931419048698 0.50010433089598 32.065 > 30 121 S 0.18806679245633 0.20340384156217 0.15284395562341 32.065 > 31 122 S 0.68806679245633 0.20340384156217 0.15284395562341 32.065 > 31 123 S 0.18806679245633 0.20340384156217 0.65284395562341 32.065 > 31 124 S 0.68806679245633 0.20340384156217 0.65284395562341 32.065 > 31 125 S 0.31193320754367 0.79659615843784 0.34715604437659 32.065 > 32 126 S 0.81193320754367 0.79659615843784 0.34715604437659 32.065 > 32 127 S 0.31193320754367 0.79659615843784 0.84715604437659 32.065 > 32 128 S 0.81193320754367 0.79659615843784 0.84715604437659 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1829255 0.0000000 -0.0589384 0.0000000 7.4019201 0.0000000 -0.0589510 0.0000000 6.9191613 -------------------------- Born effective charges -------------------------- 1 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 2 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 3 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 4 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 5 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 6 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 7 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 8 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 9 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 10 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 11 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 12 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 13 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 14 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 15 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 16 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 17 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 18 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 19 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 20 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 21 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 22 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 23 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 24 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 25 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 26 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 27 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 28 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 29 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 30 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 31 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 32 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.424 Solver_block: 200 / 960 - Time: 1.272 Solver_block: 300 / 960 - Time: 1.270 Solver_block: 400 / 960 - Time: 1.283 Solver_block: 500 / 960 - Time: 1.275 Solver_block: 600 / 960 - Time: 1.273 Solver_block: 700 / 960 - Time: 1.284 Solver_block: 800 / 960 - Time: 1.275 Solver_block: 900 / 960 - Time: 1.269 Solver_block: 960 / 960 - Time: 0.877 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.836 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:24:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:24:33]------------------------- 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): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522610590051256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -1.534266093333137 0.000000000000000 7.642702196251072 Atomic positions (fractional): 1 La 0.26044610411584 0.40435328998026 0.45669059614847 138.905 2 La 0.66365324248440 0.16557072296856 0.63497305484411 138.905 3 La 0.26044610411584 0.09564671001974 0.95669059614847 138.905 4 La 0.33634675751560 0.66557072296856 0.86502694515589 138.905 5 La 0.73955389588416 0.90435328998026 0.04330940385153 138.905 6 La 0.33634675751560 0.83442927703144 0.36502694515589 138.905 7 La 0.66365324248440 0.33442927703144 0.13497305484411 138.905 8 La 0.73955389588416 0.59564671001974 0.54330940385153 138.905 9 Si 0.17026457463655 0.38317470033618 0.90561516699039 28.085 10 Si 0.82973542536345 0.61682529966382 0.09438483300961 28.085 11 Si 0.82973542536345 0.88317470033618 0.59438483300961 28.085 12 Si 0.17026457463655 0.11682529966382 0.40561516699039 28.085 13 S 0.97402056616247 0.22854066644658 0.45090613615697 32.065 14 S 0.64076589614979 0.37931419048698 0.49979133820804 32.065 15 S 0.62386641508734 0.70340384156216 0.19431208875317 32.065 16 S 0.35923410385021 0.62068580951302 0.50020866179196 32.065 17 S 0.64076589614979 0.12068580951302 0.99979133820804 32.065 18 S 0.02597943383753 0.72854066644658 0.04909386384303 32.065 19 S 0.32682772893987 0.02794670208864 0.61421969232689 32.065 20 S 0.07753440067240 0.99829461923938 0.21767107763873 32.065 21 S 0.67317227106013 0.52794670208864 0.88578030767311 32.065 22 S 0.07753440067240 0.50170538076062 0.71767107763873 32.065 23 S 0.37613358491266 0.29659615843783 0.80568791124683 32.065 24 S 0.92246559932760 0.00170538076063 0.78232892236127 32.065 25 S 0.97402056616247 0.27145933355342 0.95090613615697 32.065 26 S 0.32682772893987 0.47205329791136 0.11421969232689 32.065 27 S 0.02597943383753 0.77145933355342 0.54909386384303 32.065 28 S 0.67317227106013 0.97205329791136 0.38578030767311 32.065 29 S 0.92246559932760 0.49829461923938 0.28232892236127 32.065 30 S 0.35923410385021 0.87931419048698 0.00020866179196 32.065 31 S 0.37613358491266 0.20340384156217 0.30568791124683 32.065 32 S 0.62386641508734 0.79659615843784 0.69431208875317 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045221180102512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -3.068532186666274 0.000000000000000 15.285404392502144 Atomic positions (fractional): 1 La 0.13022305205792 0.40435328998026 0.22834529807423 138.905 > 1 2 La 0.63022305205792 0.40435328998026 0.22834529807423 138.905 > 1 3 La 0.13022305205792 0.40435328998026 0.72834529807423 138.905 > 1 4 La 0.63022305205792 0.40435328998026 0.72834529807423 138.905 > 1 5 La 0.33182662124220 0.16557072296856 0.31748652742206 138.905 > 5 6 La 0.83182662124220 0.16557072296856 0.31748652742206 138.905 > 5 7 La 0.33182662124220 0.16557072296856 0.81748652742206 138.905 > 5 8 La 0.83182662124220 0.16557072296856 0.81748652742206 138.905 > 5 9 La 0.13022305205792 0.09564671001974 0.47834529807423 138.905 > 9 10 La 0.63022305205792 0.09564671001974 0.47834529807423 138.905 > 9 11 La 0.13022305205792 0.09564671001974 0.97834529807423 138.905 > 9 12 La 0.63022305205792 0.09564671001974 0.97834529807423 138.905 > 9 13 La 0.16817337875780 0.66557072296856 0.43251347257794 138.905 > 13 14 La 0.66817337875780 0.66557072296856 0.43251347257794 138.905 > 13 15 La 0.16817337875780 0.66557072296856 0.93251347257794 138.905 > 13 16 La 0.66817337875780 0.66557072296856 0.93251347257794 138.905 > 13 17 La 0.36977694794208 0.90435328998026 0.02165470192577 138.905 > 17 18 La 0.86977694794208 0.90435328998026 0.02165470192577 138.905 > 17 19 La 0.36977694794208 0.90435328998026 0.52165470192577 138.905 > 17 20 La 0.86977694794208 0.90435328998026 0.52165470192577 138.905 > 17 21 La 0.16817337875780 0.83442927703144 0.18251347257795 138.905 > 21 22 La 0.66817337875780 0.83442927703144 0.18251347257795 138.905 > 21 23 La 0.16817337875780 0.83442927703144 0.68251347257795 138.905 > 21 24 La 0.66817337875780 0.83442927703144 0.68251347257795 138.905 > 21 25 La 0.33182662124220 0.33442927703144 0.06748652742206 138.905 > 25 26 La 0.83182662124220 0.33442927703144 0.06748652742206 138.905 > 25 27 La 0.33182662124220 0.33442927703144 0.56748652742205 138.905 > 25 28 La 0.83182662124220 0.33442927703144 0.56748652742205 138.905 > 25 29 La 0.36977694794208 0.59564671001974 0.27165470192577 138.905 > 29 30 La 0.86977694794208 0.59564671001974 0.27165470192577 138.905 > 29 31 La 0.36977694794208 0.59564671001974 0.77165470192577 138.905 > 29 32 La 0.86977694794208 0.59564671001974 0.77165470192577 138.905 > 29 33 Si 0.08513228731827 0.38317470033618 0.45280758349520 28.085 > 33 34 Si 0.58513228731827 0.38317470033618 0.45280758349520 28.085 > 33 35 Si 0.08513228731827 0.38317470033618 0.95280758349520 28.085 > 33 36 Si 0.58513228731827 0.38317470033618 0.95280758349520 28.085 > 33 37 Si 0.41486771268173 0.61682529966382 0.04719241650480 28.085 > 37 38 Si 0.91486771268173 0.61682529966382 0.04719241650480 28.085 > 37 39 Si 0.41486771268173 0.61682529966382 0.54719241650480 28.085 > 37 40 Si 0.91486771268173 0.61682529966382 0.54719241650480 28.085 > 37 41 Si 0.41486771268173 0.88317470033618 0.29719241650480 28.085 > 41 42 Si 0.91486771268173 0.88317470033618 0.29719241650480 28.085 > 41 43 Si 0.41486771268173 0.88317470033618 0.79719241650480 28.085 > 41 44 Si 0.91486771268173 0.88317470033618 0.79719241650480 28.085 > 41 45 Si 0.08513228731827 0.11682529966382 0.20280758349520 28.085 > 45 46 Si 0.58513228731827 0.11682529966382 0.20280758349520 28.085 > 45 47 Si 0.08513228731827 0.11682529966382 0.70280758349520 28.085 > 45 48 Si 0.58513228731827 0.11682529966382 0.70280758349520 28.085 > 45 49 S 0.48701028308123 0.22854066644658 0.22545306807848 32.065 > 49 50 S 0.98701028308123 0.22854066644658 0.22545306807848 32.065 > 49 51 S 0.48701028308123 0.22854066644658 0.72545306807848 32.065 > 49 52 S 0.98701028308123 0.22854066644658 0.72545306807848 32.065 > 49 53 S 0.32038294807490 0.37931419048698 0.24989566910402 32.065 > 53 54 S 0.82038294807490 0.37931419048698 0.24989566910402 32.065 > 53 55 S 0.32038294807490 0.37931419048698 0.74989566910402 32.065 > 53 56 S 0.82038294807490 0.37931419048698 0.74989566910402 32.065 > 53 57 S 0.31193320754367 0.70340384156216 0.09715604437659 32.065 > 57 58 S 0.81193320754367 0.70340384156216 0.09715604437659 32.065 > 57 59 S 0.31193320754367 0.70340384156216 0.59715604437659 32.065 > 57 60 S 0.81193320754367 0.70340384156216 0.59715604437659 32.065 > 57 61 S 0.17961705192510 0.62068580951302 0.25010433089598 32.065 > 61 62 S 0.67961705192510 0.62068580951302 0.25010433089598 32.065 > 61 63 S 0.17961705192510 0.62068580951302 0.75010433089598 32.065 > 61 64 S 0.67961705192510 0.62068580951302 0.75010433089598 32.065 > 61 65 S 0.32038294807490 0.12068580951302 0.49989566910402 32.065 > 65 66 S 0.82038294807490 0.12068580951302 0.49989566910402 32.065 > 65 67 S 0.32038294807490 0.12068580951302 0.99989566910402 32.065 > 65 68 S 0.82038294807490 0.12068580951302 0.99989566910402 32.065 > 65 69 S 0.01298971691877 0.72854066644658 0.02454693192152 32.065 > 69 70 S 0.51298971691877 0.72854066644658 0.02454693192152 32.065 > 69 71 S 0.01298971691877 0.72854066644658 0.52454693192152 32.065 > 69 72 S 0.51298971691877 0.72854066644658 0.52454693192152 32.065 > 69 73 S 0.16341386446994 0.02794670208864 0.30710984616344 32.065 > 73 74 S 0.66341386446994 0.02794670208864 0.30710984616344 32.065 > 73 75 S 0.16341386446994 0.02794670208864 0.80710984616344 32.065 > 73 76 S 0.66341386446994 0.02794670208864 0.80710984616344 32.065 > 73 77 S 0.03876720033620 0.99829461923938 0.10883553881937 32.065 > 77 78 S 0.53876720033620 0.99829461923938 0.10883553881937 32.065 > 77 79 S 0.03876720033620 0.99829461923938 0.60883553881937 32.065 > 77 80 S 0.53876720033620 0.99829461923938 0.60883553881937 32.065 > 77 81 S 0.33658613553006 0.52794670208864 0.44289015383656 32.065 > 81 82 S 0.83658613553006 0.52794670208864 0.44289015383656 32.065 > 81 83 S 0.33658613553006 0.52794670208864 0.94289015383656 32.065 > 81 84 S 0.83658613553006 0.52794670208864 0.94289015383656 32.065 > 81 85 S 0.03876720033620 0.50170538076062 0.35883553881937 32.065 > 85 86 S 0.53876720033620 0.50170538076062 0.35883553881937 32.065 > 85 87 S 0.03876720033620 0.50170538076062 0.85883553881937 32.065 > 85 88 S 0.53876720033620 0.50170538076062 0.85883553881937 32.065 > 85 89 S 0.18806679245633 0.29659615843783 0.40284395562341 32.065 > 89 90 S 0.68806679245633 0.29659615843783 0.40284395562341 32.065 > 89 91 S 0.18806679245633 0.29659615843783 0.90284395562341 32.065 > 89 92 S 0.68806679245633 0.29659615843783 0.90284395562341 32.065 > 89 93 S 0.46123279966380 0.00170538076063 0.39116446118063 32.065 > 93 94 S 0.96123279966380 0.00170538076063 0.39116446118063 32.065 > 93 95 S 0.46123279966380 0.00170538076063 0.89116446118063 32.065 > 93 96 S 0.96123279966380 0.00170538076063 0.89116446118063 32.065 > 93 97 S 0.48701028308123 0.27145933355342 0.47545306807848 32.065 > 97 98 S 0.98701028308123 0.27145933355342 0.47545306807848 32.065 > 97 99 S 0.48701028308123 0.27145933355342 0.97545306807848 32.065 > 97 100 S 0.98701028308123 0.27145933355342 0.97545306807848 32.065 > 97 101 S 0.16341386446994 0.47205329791136 0.05710984616344 32.065 > 101 102 S 0.66341386446994 0.47205329791136 0.05710984616344 32.065 > 101 103 S 0.16341386446994 0.47205329791136 0.55710984616344 32.065 > 101 104 S 0.66341386446994 0.47205329791136 0.55710984616344 32.065 > 101 105 S 0.01298971691877 0.77145933355342 0.27454693192152 32.065 > 105 106 S 0.51298971691877 0.77145933355342 0.27454693192152 32.065 > 105 107 S 0.01298971691877 0.77145933355342 0.77454693192152 32.065 > 105 108 S 0.51298971691877 0.77145933355342 0.77454693192152 32.065 > 105 109 S 0.33658613553006 0.97205329791136 0.19289015383656 32.065 > 109 110 S 0.83658613553006 0.97205329791136 0.19289015383656 32.065 > 109 111 S 0.33658613553006 0.97205329791136 0.69289015383656 32.065 > 109 112 S 0.83658613553006 0.97205329791136 0.69289015383656 32.065 > 109 113 S 0.46123279966380 0.49829461923938 0.14116446118063 32.065 > 113 114 S 0.96123279966380 0.49829461923938 0.14116446118063 32.065 > 113 115 S 0.46123279966380 0.49829461923938 0.64116446118063 32.065 > 113 116 S 0.96123279966380 0.49829461923938 0.64116446118063 32.065 > 113 117 S 0.17961705192510 0.87931419048698 0.00010433089598 32.065 > 117 118 S 0.67961705192510 0.87931419048698 0.00010433089598 32.065 > 117 119 S 0.17961705192510 0.87931419048698 0.50010433089598 32.065 > 117 120 S 0.67961705192510 0.87931419048698 0.50010433089598 32.065 > 117 121 S 0.18806679245633 0.20340384156217 0.15284395562341 32.065 > 121 122 S 0.68806679245633 0.20340384156217 0.15284395562341 32.065 > 121 123 S 0.18806679245633 0.20340384156217 0.65284395562341 32.065 > 121 124 S 0.68806679245633 0.20340384156217 0.65284395562341 32.065 > 121 125 S 0.31193320754367 0.79659615843784 0.34715604437659 32.065 > 125 126 S 0.81193320754367 0.79659615843784 0.34715604437659 32.065 > 125 127 S 0.31193320754367 0.79659615843784 0.84715604437659 32.065 > 125 128 S 0.81193320754367 0.79659615843784 0.84715604437659 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1829255 0.0000000 -0.0589384 0.0000000 7.4019201 0.0000000 -0.0589510 0.0000000 6.9191613 -------------------------- Born effective charges -------------------------- 1 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 2 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 3 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 4 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 5 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 6 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 7 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 8 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 9 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 10 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 11 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 12 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 13 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 14 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 15 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 16 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 17 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 18 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 19 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 20 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 21 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 22 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 23 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 24 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 25 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 26 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 27 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 28 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 29 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 30 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 31 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 32 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 57, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:25:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:25:19]------------------------- 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): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.522610590051256 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -1.534266093333137 0.000000000000000 7.642702196251072 Atomic positions (fractional): 1 La 0.26044610411584 0.40435328998026 0.45669059614847 138.905 2 La 0.66365324248440 0.16557072296856 0.63497305484411 138.905 3 La 0.26044610411584 0.09564671001974 0.95669059614847 138.905 4 La 0.33634675751560 0.66557072296856 0.86502694515589 138.905 5 La 0.73955389588416 0.90435328998026 0.04330940385153 138.905 6 La 0.33634675751560 0.83442927703144 0.36502694515589 138.905 7 La 0.66365324248440 0.33442927703144 0.13497305484411 138.905 8 La 0.73955389588416 0.59564671001974 0.54330940385153 138.905 9 Si 0.17026457463655 0.38317470033618 0.90561516699039 28.085 10 Si 0.82973542536345 0.61682529966382 0.09438483300961 28.085 11 Si 0.82973542536345 0.88317470033618 0.59438483300961 28.085 12 Si 0.17026457463655 0.11682529966382 0.40561516699039 28.085 13 S 0.97402056616247 0.22854066644658 0.45090613615697 32.065 14 S 0.64076589614979 0.37931419048698 0.49979133820804 32.065 15 S 0.62386641508734 0.70340384156216 0.19431208875317 32.065 16 S 0.35923410385021 0.62068580951302 0.50020866179196 32.065 17 S 0.64076589614979 0.12068580951302 0.99979133820804 32.065 18 S 0.02597943383753 0.72854066644658 0.04909386384303 32.065 19 S 0.32682772893987 0.02794670208864 0.61421969232689 32.065 20 S 0.07753440067240 0.99829461923938 0.21767107763873 32.065 21 S 0.67317227106013 0.52794670208864 0.88578030767311 32.065 22 S 0.07753440067240 0.50170538076062 0.71767107763873 32.065 23 S 0.37613358491266 0.29659615843783 0.80568791124683 32.065 24 S 0.92246559932760 0.00170538076063 0.78232892236127 32.065 25 S 0.97402056616247 0.27145933355342 0.95090613615697 32.065 26 S 0.32682772893987 0.47205329791136 0.11421969232689 32.065 27 S 0.02597943383753 0.77145933355342 0.54909386384303 32.065 28 S 0.67317227106013 0.97205329791136 0.38578030767311 32.065 29 S 0.92246559932760 0.49829461923938 0.28232892236127 32.065 30 S 0.35923410385021 0.87931419048698 0.00020866179196 32.065 31 S 0.37613358491266 0.20340384156217 0.30568791124683 32.065 32 S 0.62386641508734 0.79659615843784 0.69431208875317 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.045221180102512 0.000000000000000 0.000000000000000 b 0.000000000000000 12.535843690000000 0.000000000000000 c -3.068532186666274 0.000000000000000 15.285404392502144 Atomic positions (fractional): 1 La 0.13022305205792 0.40435328998026 0.22834529807423 138.905 > 1 2 La 0.63022305205792 0.40435328998026 0.22834529807423 138.905 > 1 3 La 0.13022305205792 0.40435328998026 0.72834529807423 138.905 > 1 4 La 0.63022305205792 0.40435328998026 0.72834529807423 138.905 > 1 5 La 0.33182662124220 0.16557072296856 0.31748652742206 138.905 > 5 6 La 0.83182662124220 0.16557072296856 0.31748652742206 138.905 > 5 7 La 0.33182662124220 0.16557072296856 0.81748652742206 138.905 > 5 8 La 0.83182662124220 0.16557072296856 0.81748652742206 138.905 > 5 9 La 0.13022305205792 0.09564671001974 0.47834529807423 138.905 > 9 10 La 0.63022305205792 0.09564671001974 0.47834529807423 138.905 > 9 11 La 0.13022305205792 0.09564671001974 0.97834529807423 138.905 > 9 12 La 0.63022305205792 0.09564671001974 0.97834529807423 138.905 > 9 13 La 0.16817337875780 0.66557072296856 0.43251347257794 138.905 > 13 14 La 0.66817337875780 0.66557072296856 0.43251347257794 138.905 > 13 15 La 0.16817337875780 0.66557072296856 0.93251347257794 138.905 > 13 16 La 0.66817337875780 0.66557072296856 0.93251347257794 138.905 > 13 17 La 0.36977694794208 0.90435328998026 0.02165470192577 138.905 > 17 18 La 0.86977694794208 0.90435328998026 0.02165470192577 138.905 > 17 19 La 0.36977694794208 0.90435328998026 0.52165470192577 138.905 > 17 20 La 0.86977694794208 0.90435328998026 0.52165470192577 138.905 > 17 21 La 0.16817337875780 0.83442927703144 0.18251347257795 138.905 > 21 22 La 0.66817337875780 0.83442927703144 0.18251347257795 138.905 > 21 23 La 0.16817337875780 0.83442927703144 0.68251347257795 138.905 > 21 24 La 0.66817337875780 0.83442927703144 0.68251347257795 138.905 > 21 25 La 0.33182662124220 0.33442927703144 0.06748652742206 138.905 > 25 26 La 0.83182662124220 0.33442927703144 0.06748652742206 138.905 > 25 27 La 0.33182662124220 0.33442927703144 0.56748652742205 138.905 > 25 28 La 0.83182662124220 0.33442927703144 0.56748652742205 138.905 > 25 29 La 0.36977694794208 0.59564671001974 0.27165470192577 138.905 > 29 30 La 0.86977694794208 0.59564671001974 0.27165470192577 138.905 > 29 31 La 0.36977694794208 0.59564671001974 0.77165470192577 138.905 > 29 32 La 0.86977694794208 0.59564671001974 0.77165470192577 138.905 > 29 33 Si 0.08513228731827 0.38317470033618 0.45280758349520 28.085 > 33 34 Si 0.58513228731827 0.38317470033618 0.45280758349520 28.085 > 33 35 Si 0.08513228731827 0.38317470033618 0.95280758349520 28.085 > 33 36 Si 0.58513228731827 0.38317470033618 0.95280758349520 28.085 > 33 37 Si 0.41486771268173 0.61682529966382 0.04719241650480 28.085 > 37 38 Si 0.91486771268173 0.61682529966382 0.04719241650480 28.085 > 37 39 Si 0.41486771268173 0.61682529966382 0.54719241650480 28.085 > 37 40 Si 0.91486771268173 0.61682529966382 0.54719241650480 28.085 > 37 41 Si 0.41486771268173 0.88317470033618 0.29719241650480 28.085 > 41 42 Si 0.91486771268173 0.88317470033618 0.29719241650480 28.085 > 41 43 Si 0.41486771268173 0.88317470033618 0.79719241650480 28.085 > 41 44 Si 0.91486771268173 0.88317470033618 0.79719241650480 28.085 > 41 45 Si 0.08513228731827 0.11682529966382 0.20280758349520 28.085 > 45 46 Si 0.58513228731827 0.11682529966382 0.20280758349520 28.085 > 45 47 Si 0.08513228731827 0.11682529966382 0.70280758349520 28.085 > 45 48 Si 0.58513228731827 0.11682529966382 0.70280758349520 28.085 > 45 49 S 0.48701028308123 0.22854066644658 0.22545306807848 32.065 > 49 50 S 0.98701028308123 0.22854066644658 0.22545306807848 32.065 > 49 51 S 0.48701028308123 0.22854066644658 0.72545306807848 32.065 > 49 52 S 0.98701028308123 0.22854066644658 0.72545306807848 32.065 > 49 53 S 0.32038294807490 0.37931419048698 0.24989566910402 32.065 > 53 54 S 0.82038294807490 0.37931419048698 0.24989566910402 32.065 > 53 55 S 0.32038294807490 0.37931419048698 0.74989566910402 32.065 > 53 56 S 0.82038294807490 0.37931419048698 0.74989566910402 32.065 > 53 57 S 0.31193320754367 0.70340384156216 0.09715604437659 32.065 > 57 58 S 0.81193320754367 0.70340384156216 0.09715604437659 32.065 > 57 59 S 0.31193320754367 0.70340384156216 0.59715604437659 32.065 > 57 60 S 0.81193320754367 0.70340384156216 0.59715604437659 32.065 > 57 61 S 0.17961705192510 0.62068580951302 0.25010433089598 32.065 > 61 62 S 0.67961705192510 0.62068580951302 0.25010433089598 32.065 > 61 63 S 0.17961705192510 0.62068580951302 0.75010433089598 32.065 > 61 64 S 0.67961705192510 0.62068580951302 0.75010433089598 32.065 > 61 65 S 0.32038294807490 0.12068580951302 0.49989566910402 32.065 > 65 66 S 0.82038294807490 0.12068580951302 0.49989566910402 32.065 > 65 67 S 0.32038294807490 0.12068580951302 0.99989566910402 32.065 > 65 68 S 0.82038294807490 0.12068580951302 0.99989566910402 32.065 > 65 69 S 0.01298971691877 0.72854066644658 0.02454693192152 32.065 > 69 70 S 0.51298971691877 0.72854066644658 0.02454693192152 32.065 > 69 71 S 0.01298971691877 0.72854066644658 0.52454693192152 32.065 > 69 72 S 0.51298971691877 0.72854066644658 0.52454693192152 32.065 > 69 73 S 0.16341386446994 0.02794670208864 0.30710984616344 32.065 > 73 74 S 0.66341386446994 0.02794670208864 0.30710984616344 32.065 > 73 75 S 0.16341386446994 0.02794670208864 0.80710984616344 32.065 > 73 76 S 0.66341386446994 0.02794670208864 0.80710984616344 32.065 > 73 77 S 0.03876720033620 0.99829461923938 0.10883553881937 32.065 > 77 78 S 0.53876720033620 0.99829461923938 0.10883553881937 32.065 > 77 79 S 0.03876720033620 0.99829461923938 0.60883553881937 32.065 > 77 80 S 0.53876720033620 0.99829461923938 0.60883553881937 32.065 > 77 81 S 0.33658613553006 0.52794670208864 0.44289015383656 32.065 > 81 82 S 0.83658613553006 0.52794670208864 0.44289015383656 32.065 > 81 83 S 0.33658613553006 0.52794670208864 0.94289015383656 32.065 > 81 84 S 0.83658613553006 0.52794670208864 0.94289015383656 32.065 > 81 85 S 0.03876720033620 0.50170538076062 0.35883553881937 32.065 > 85 86 S 0.53876720033620 0.50170538076062 0.35883553881937 32.065 > 85 87 S 0.03876720033620 0.50170538076062 0.85883553881937 32.065 > 85 88 S 0.53876720033620 0.50170538076062 0.85883553881937 32.065 > 85 89 S 0.18806679245633 0.29659615843783 0.40284395562341 32.065 > 89 90 S 0.68806679245633 0.29659615843783 0.40284395562341 32.065 > 89 91 S 0.18806679245633 0.29659615843783 0.90284395562341 32.065 > 89 92 S 0.68806679245633 0.29659615843783 0.90284395562341 32.065 > 89 93 S 0.46123279966380 0.00170538076063 0.39116446118063 32.065 > 93 94 S 0.96123279966380 0.00170538076063 0.39116446118063 32.065 > 93 95 S 0.46123279966380 0.00170538076063 0.89116446118063 32.065 > 93 96 S 0.96123279966380 0.00170538076063 0.89116446118063 32.065 > 93 97 S 0.48701028308123 0.27145933355342 0.47545306807848 32.065 > 97 98 S 0.98701028308123 0.27145933355342 0.47545306807848 32.065 > 97 99 S 0.48701028308123 0.27145933355342 0.97545306807848 32.065 > 97 100 S 0.98701028308123 0.27145933355342 0.97545306807848 32.065 > 97 101 S 0.16341386446994 0.47205329791136 0.05710984616344 32.065 > 101 102 S 0.66341386446994 0.47205329791136 0.05710984616344 32.065 > 101 103 S 0.16341386446994 0.47205329791136 0.55710984616344 32.065 > 101 104 S 0.66341386446994 0.47205329791136 0.55710984616344 32.065 > 101 105 S 0.01298971691877 0.77145933355342 0.27454693192152 32.065 > 105 106 S 0.51298971691877 0.77145933355342 0.27454693192152 32.065 > 105 107 S 0.01298971691877 0.77145933355342 0.77454693192152 32.065 > 105 108 S 0.51298971691877 0.77145933355342 0.77454693192152 32.065 > 105 109 S 0.33658613553006 0.97205329791136 0.19289015383656 32.065 > 109 110 S 0.83658613553006 0.97205329791136 0.19289015383656 32.065 > 109 111 S 0.33658613553006 0.97205329791136 0.69289015383656 32.065 > 109 112 S 0.83658613553006 0.97205329791136 0.69289015383656 32.065 > 109 113 S 0.46123279966380 0.49829461923938 0.14116446118063 32.065 > 113 114 S 0.96123279966380 0.49829461923938 0.14116446118063 32.065 > 113 115 S 0.46123279966380 0.49829461923938 0.64116446118063 32.065 > 113 116 S 0.96123279966380 0.49829461923938 0.64116446118063 32.065 > 113 117 S 0.17961705192510 0.87931419048698 0.00010433089598 32.065 > 117 118 S 0.67961705192510 0.87931419048698 0.00010433089598 32.065 > 117 119 S 0.17961705192510 0.87931419048698 0.50010433089598 32.065 > 117 120 S 0.67961705192510 0.87931419048698 0.50010433089598 32.065 > 117 121 S 0.18806679245633 0.20340384156217 0.15284395562341 32.065 > 121 122 S 0.68806679245633 0.20340384156217 0.15284395562341 32.065 > 121 123 S 0.18806679245633 0.20340384156217 0.65284395562341 32.065 > 121 124 S 0.68806679245633 0.20340384156217 0.65284395562341 32.065 > 121 125 S 0.31193320754367 0.79659615843784 0.34715604437659 32.065 > 125 126 S 0.81193320754367 0.79659615843784 0.34715604437659 32.065 > 125 127 S 0.31193320754367 0.79659615843784 0.84715604437659 32.065 > 125 128 S 0.81193320754367 0.79659615843784 0.84715604437659 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1829255 0.0000000 -0.0589384 0.0000000 7.4019201 0.0000000 -0.0589510 0.0000000 6.9191613 -------------------------- Born effective charges -------------------------- 1 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 2 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 3 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 4 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 5 La 3.9865293 -0.0509767 0.0360840 0.1960348 4.2790778 -0.1152717 -0.1153241 -0.0809040 4.0647567 6 La 4.1255616 -0.0370046 -0.0955406 -0.3092646 4.3451953 -0.3597196 -0.0346891 -0.4966376 4.0235450 7 La 4.1255616 0.0370046 -0.0955406 0.3092646 4.3451953 0.3597196 -0.0346891 0.4966376 4.0235450 8 La 3.9865293 0.0509767 0.0360840 -0.1960348 4.2790778 0.1152717 -0.1153241 0.0809040 4.0647567 9 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 10 Si 2.9110963 0.2869435 -0.0456622 0.0062511 3.2425900 -0.2997170 0.1828550 -0.0658814 2.5769813 11 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 12 Si 2.9110963 -0.2869435 -0.0456622 -0.0062511 3.2425900 0.2997170 0.1828550 0.0658814 2.5769813 13 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 14 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 15 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 16 S -2.4256742 -0.0657151 0.1452174 -0.0198542 -3.4831641 -0.0317800 0.1713020 0.0602068 -2.2726880 17 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 18 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 19 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 20 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 21 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 22 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 23 S -2.2975048 0.4666037 0.3238226 0.5011007 -2.0537383 0.0595773 0.3293666 -0.0330186 -2.3904121 24 S -1.8986355 -0.4103804 -0.4433183 -0.3456013 -2.4184264 -0.4493673 -0.4329088 -0.3211950 -2.1540065 25 S -2.6655087 -0.1621391 0.1873747 0.0097781 -2.0616112 -0.1424973 0.1349127 -0.1306039 -1.4127886 26 S -1.7358640 -0.0968190 -0.1079777 -0.1344305 -1.8499231 0.2267372 -0.2355143 0.1633076 -2.4353878 27 S -2.6655087 0.1621391 0.1873747 -0.0097781 -2.0616112 0.1424973 0.1349127 0.1306039 -1.4127886 28 S -1.7358640 0.0968190 -0.1079777 0.1344305 -1.8499231 -0.2267372 -0.2355143 -0.1633076 -2.4353878 29 S -1.8986355 0.4103804 -0.4433183 0.3456013 -2.4184264 0.4493673 -0.4329088 0.3211950 -2.1540065 30 S -2.4256742 0.0657151 0.1452174 0.0198542 -3.4831641 0.0317800 0.1713020 -0.0602068 -2.2726880 31 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 32 S -2.2975048 -0.4666037 0.3238226 -0.5011007 -2.0537383 -0.0595773 0.3293666 0.0330186 -2.3904121 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 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: 0.46, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 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 1.618 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 14.029 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.702 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 23.715 0.000 9.140) 25.415 0.561 ( 27.021 0.000 6.670) 27.832 0.887 ( 44.184 0.000 2.683) 44.265 1.669 ( 4.549 0.000 2.808) 5.346 1.884 ( 1.857 0.000 -2.636) 3.224 1.939 ( -0.280 0.000 0.059) 0.286 1.975 ( 3.923 0.000 -3.919) 5.545 2.137 ( -0.508 0.000 3.679) 3.714 2.180 ( 0.758 0.000 2.110) 2.242 2.231 ( 0.262 0.000 -1.736) 1.756 2.245 ( -1.968 0.000 -0.746) 2.104 2.464 ( -6.171 0.000 -3.475) 7.082 2.603 ( -8.505 0.000 -5.357) 10.051 2.688 ( 1.196 0.000 0.049) 1.197 2.689 ( -1.676 0.000 -2.520) 3.027 2.870 ( -5.892 0.000 -3.791) 7.006 2.899 ( -4.211 0.000 2.203) 4.753 2.935 ( -1.713 0.000 -2.242) 2.821 3.205 ( 0.617 0.000 2.883) 2.949 3.216 ( -1.949 0.000 0.733) 2.082 3.255 ( 0.891 0.000 3.902) 4.002 3.383 ( 0.313 0.000 11.150) 11.154 3.431 ( 0.199 0.000 4.046) 4.051 3.581 ( 3.144 0.000 -0.237) 3.153 3.618 ( -5.191 0.000 0.154) 5.193 3.663 ( -4.271 0.000 2.145) 4.779 3.714 ( -0.796 0.000 -2.074) 2.222 3.871 ( 1.187 0.000 -0.747) 1.402 3.974 ( 0.742 0.000 3.398) 3.478 4.222 ( 4.782 0.000 -1.806) 5.111 4.308 ( 0.466 0.000 -0.767) 0.898 4.355 ( -0.830 0.000 -3.252) 3.356 4.399 ( -4.307 0.000 1.575) 4.586 4.540 ( 2.031 0.000 -1.064) 2.293 4.608 ( -4.455 0.000 4.796) 6.546 4.722 ( 0.627 0.000 -1.178) 1.334 4.832 ( -1.202 0.000 -20.768) 20.803 4.849 ( 0.399 0.000 -0.604) 0.724 4.886 ( 0.402 0.000 -7.688) 7.698 4.909 ( 3.000 0.000 0.232) 3.009 5.132 ( 3.579 0.000 -1.384) 3.837 5.288 ( -3.324 0.000 -1.105) 3.503 5.304 ( 1.572 0.000 2.425) 2.890 5.322 ( 1.100 0.000 -3.430) 3.602 5.432 ( 0.719 0.000 -3.226) 3.306 5.510 ( -7.652 0.000 19.132) 20.605 5.534 ( -0.509 0.000 0.855) 0.995 5.642 ( -0.697 0.000 -0.318) 0.766 5.703 ( 2.485 0.000 1.065) 2.703 5.781 ( 0.988 0.000 5.622) 5.708 5.913 ( 0.843 0.000 2.701) 2.829 6.000 ( 1.071 0.000 1.255) 1.650 6.197 ( 0.031 0.000 -0.164) 0.167 6.360 ( -0.535 0.000 1.019) 1.151 6.397 ( -5.259 0.000 0.380) 5.273 6.454 ( -6.122 0.000 2.341) 6.555 6.575 ( -1.592 0.000 -0.557) 1.686 6.653 ( 0.141 0.000 -3.054) 3.058 6.720 ( 4.469 0.000 -0.829) 4.545 6.745 ( 6.549 0.000 6.159) 8.990 6.898 ( -2.714 0.000 0.615) 2.783 6.908 ( -2.238 0.000 -1.604) 2.754 6.930 ( -2.794 0.000 0.714) 2.884 6.983 ( -5.406 0.000 3.108) 6.235 7.123 ( 4.263 0.000 -2.200) 4.797 7.149 ( 1.746 0.000 4.854) 5.159 7.231 ( 0.887 0.000 0.648) 1.098 7.271 ( 2.775 0.000 -2.378) 3.655 7.458 ( -5.193 0.000 -4.037) 6.577 7.655 ( -0.132 0.000 0.813) 0.824 7.667 ( -3.231 0.000 0.387) 3.254 7.840 ( 0.719 0.000 -0.778) 1.059 7.841 ( 2.629 0.000 0.603) 2.697 7.878 ( 0.821 0.000 -5.649) 5.708 7.948 ( 4.782 0.000 2.570) 5.428 7.970 ( 1.604 0.000 -0.175) 1.614 8.656 ( -2.429 0.000 -1.712) 2.972 8.698 ( -0.684 0.000 -0.518) 0.858 8.725 ( -2.428 0.000 0.434) 2.467 8.832 ( 1.431 0.000 -7.519) 7.654 11.673 ( -1.557 0.000 -0.459) 1.623 11.683 ( -0.134 0.000 -0.424) 0.444 11.721 ( 0.454 0.000 0.875) 0.986 11.742 ( -0.540 0.000 0.196) 0.575 13.968 ( -1.468 0.000 0.011) 1.468 14.000 ( 1.581 0.000 -0.437) 1.640 14.097 ( 1.691 0.000 -0.304) 1.718 14.256 ( 5.264 0.000 -21.814) 22.441 15.436 ( -1.575 0.000 1.183) 1.969 15.537 ( 2.447 0.000 -0.928) 2.617 15.683 ( 1.358 0.000 -1.500) 2.023 16.013 ( -8.148 0.000 28.743) 29.875 16.224 ( 0.785 0.000 0.840) 1.150 16.422 ( -0.193 0.000 -0.285) 0.344 16.679 ( -2.132 0.000 -0.795) 2.275 16.828 ( 0.322 0.000 -6.532) 6.540 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 21.107 0.000 8.496) 22.752 1.053 ( 21.766 0.000 4.787) 22.286 1.617 ( 27.549 0.000 -0.874) 27.562 1.791 ( 5.904 0.000 3.989) 7.125 1.924 ( 2.919 0.000 -1.770) 3.413 1.964 ( 4.102 0.000 0.538) 4.137 2.041 ( -4.959 0.000 -1.580) 5.204 2.097 ( 6.452 0.000 -4.702) 7.983 2.155 ( -3.125 0.000 0.151) 3.129 2.239 ( 1.342 0.000 0.675) 1.502 2.278 ( 4.278 0.000 0.672) 4.331 2.356 ( -2.909 0.000 -3.757) 4.752 2.408 ( -7.073 0.000 -3.337) 7.821 2.610 ( -4.161 0.000 -4.525) 6.147 2.703 ( -9.626 0.000 -5.176) 10.930 2.709 ( 1.293 0.000 -2.643) 2.943 2.833 ( -4.596 0.000 7.482) 8.780 2.881 ( -2.790 0.000 -3.330) 4.345 3.192 ( -0.946 0.000 2.883) 3.034 3.193 ( -2.509 0.000 3.884) 4.624 3.328 ( 4.226 0.000 2.672) 5.000 3.411 ( -5.541 0.000 3.726) 6.677 3.416 ( -1.083 0.000 -0.236) 1.108 3.506 ( -5.813 0.000 4.430) 7.309 3.535 ( -2.934 0.000 2.438) 3.815 3.669 ( -2.438 0.000 -4.129) 4.795 3.698 ( 4.045 0.000 -0.813) 4.126 3.900 ( 1.979 0.000 0.165) 1.986 4.003 ( 0.295 0.000 3.198) 3.211 4.278 ( -5.297 0.000 -0.567) 5.328 4.290 ( 1.560 0.000 -3.622) 3.943 4.337 ( 0.583 0.000 0.671) 0.889 4.344 ( 2.567 0.000 -2.472) 3.563 4.537 ( -4.690 0.000 4.889) 6.775 4.593 ( 3.213 0.000 -0.072) 3.214 4.702 ( -2.344 0.000 -1.338) 2.699 4.733 ( -3.466 0.000 -6.836) 7.664 4.851 ( -1.475 0.000 -3.373) 3.681 4.859 ( 0.638 0.000 -1.142) 1.308 4.969 ( 2.843 0.000 0.705) 2.929 5.182 ( 1.787 0.000 0.410) 1.833 5.234 ( -1.695 0.000 -1.008) 1.972 5.320 ( -0.317 0.000 -0.036) 0.319 5.374 ( 4.433 0.000 0.137) 4.435 5.418 ( -0.314 0.000 -2.482) 2.502 5.434 ( -4.811 0.000 7.192) 8.653 5.531 ( -0.707 0.000 1.152) 1.352 5.643 ( 0.869 0.000 0.635) 1.077 5.737 ( 0.217 0.000 4.714) 4.719 5.841 ( 3.437 0.000 0.761) 3.520 5.944 ( 1.081 0.000 1.389) 1.760 6.004 ( -1.237 0.000 0.907) 1.534 6.194 ( 0.055 0.000 -0.299) 0.304 6.292 ( -5.610 0.000 0.189) 5.613 6.332 ( -2.650 0.000 -0.254) 2.663 6.406 ( 0.387 0.000 0.704) 0.803 6.540 ( -0.419 0.000 -3.823) 3.846 6.640 ( -0.470 0.000 -2.038) 2.092 6.753 ( -2.027 0.000 0.596) 2.113 6.826 ( -3.778 0.000 2.320) 4.433 6.831 ( -5.325 0.000 -1.183) 5.455 6.856 ( 0.910 0.000 2.517) 2.677 6.923 ( 3.459 0.000 0.063) 3.460 6.948 ( 2.493 0.000 -0.295) 2.510 7.191 ( 1.628 0.000 -1.232) 2.042 7.199 ( 3.975 0.000 -2.718) 4.815 7.264 ( 1.918 0.000 1.059) 2.191 7.306 ( 1.980 0.000 -3.024) 3.614 7.369 ( -3.162 0.000 1.593) 3.541 7.620 ( -0.971 0.000 -1.599) 1.870 7.651 ( -1.764 0.000 3.233) 3.683 7.765 ( -5.009 0.000 -3.554) 6.141 7.853 ( 1.066 0.000 -0.119) 1.073 7.972 ( 4.089 0.000 2.924) 5.027 7.998 ( 1.649 0.000 0.114) 1.653 8.041 ( 3.559 0.000 1.871) 4.021 8.596 ( -2.669 0.000 -2.078) 3.382 8.671 ( -1.986 0.000 -0.667) 2.095 8.685 ( -1.453 0.000 0.628) 1.583 8.826 ( 0.199 0.000 -3.458) 3.464 11.642 ( -1.474 0.000 -0.219) 1.490 11.678 ( -0.170 0.000 -0.540) 0.566 11.730 ( 0.163 0.000 0.804) 0.820 11.731 ( -0.657 0.000 0.266) 0.709 13.943 ( -1.009 0.000 -0.007) 1.009 14.031 ( 1.692 0.000 -0.501) 1.765 14.125 ( 1.239 0.000 -0.351) 1.287 14.275 ( 2.479 0.000 -7.440) 7.842 15.417 ( -0.813 0.000 1.011) 1.298 15.576 ( 1.788 0.000 -0.720) 1.928 15.713 ( 2.611 0.000 -2.878) 3.886 15.952 ( -6.403 0.000 12.646) 14.174 16.249 ( 1.308 0.000 1.261) 1.817 16.417 ( -0.159 0.000 -0.301) 0.341 16.625 ( -2.845 0.000 -1.206) 3.090 16.809 ( -0.421 0.000 -2.208) 2.248 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 13.413 0.000 5.950) 14.674 1.388 ( 10.711 0.000 1.784) 10.858 1.825 ( -1.871 0.000 -2.006) 2.744 1.847 ( -1.968 0.000 0.565) 2.047 1.863 ( -4.700 0.000 -3.704) 5.984 1.976 ( 2.652 0.000 1.675) 3.137 2.076 ( 4.442 0.000 -1.949) 4.851 2.153 ( 2.826 0.000 0.058) 2.826 2.204 ( 2.103 0.000 -2.567) 3.319 2.241 ( -3.724 0.000 1.456) 3.999 2.275 ( 1.666 0.000 -0.336) 1.699 2.326 ( 1.646 0.000 -0.737) 1.804 2.479 ( -10.558 0.000 -3.563) 11.143 2.539 ( -1.954 0.000 -2.106) 2.873 2.632 ( 20.893 0.000 2.188) 21.008 2.723 ( 2.471 0.000 -2.157) 3.280 2.785 ( -2.793 0.000 5.555) 6.217 2.825 ( -1.426 0.000 -1.661) 2.189 3.108 ( -10.715 0.000 1.446) 10.812 3.178 ( -1.803 0.000 1.582) 2.399 3.258 ( -5.617 0.000 -2.926) 6.333 3.322 ( -2.398 0.000 1.194) 2.679 3.450 ( 4.275 0.000 1.930) 4.690 3.500 ( 0.759 0.000 5.192) 5.247 3.522 ( -0.302 0.000 0.867) 0.918 3.594 ( -3.492 0.000 -5.163) 6.233 3.750 ( 1.446 0.000 -0.271) 1.471 3.923 ( -0.043 0.000 0.127) 0.134 4.043 ( 3.820 0.000 2.903) 4.798 4.155 ( -6.294 0.000 -1.942) 6.586 4.286 ( 0.048 0.000 -1.136) 1.137 4.376 ( 1.743 0.000 0.283) 1.766 4.400 ( 2.690 0.000 -1.836) 3.257 4.483 ( -1.877 0.000 2.034) 2.768 4.634 ( -3.702 0.000 -0.916) 3.813 4.643 ( 1.538 0.000 0.343) 1.576 4.659 ( -1.564 0.000 -1.332) 2.055 4.823 ( -0.516 0.000 -0.645) 0.826 4.858 ( -0.167 0.000 -0.643) 0.664 5.011 ( 1.137 0.000 0.388) 1.202 5.204 ( 0.436 0.000 0.341) 0.554 5.213 ( -0.469 0.000 -0.183) 0.503 5.311 ( -0.465 0.000 0.378) 0.599 5.396 ( -1.082 0.000 1.692) 2.009 5.414 ( 0.455 0.000 -1.031) 1.127 5.449 ( 2.474 0.000 0.115) 2.476 5.512 ( -1.173 0.000 0.661) 1.346 5.670 ( 1.138 0.000 0.485) 1.237 5.759 ( 0.467 0.000 2.305) 2.352 5.889 ( 1.307 0.000 -0.374) 1.360 5.941 ( -1.302 0.000 0.366) 1.352 5.994 ( 0.269 0.000 0.278) 0.387 6.201 ( 0.596 0.000 -0.327) 0.680 6.205 ( -2.854 0.000 -0.021) 2.854 6.284 ( -1.795 0.000 -0.108) 1.798 6.428 ( 0.892 0.000 0.093) 0.897 6.547 ( 2.731 0.000 -3.923) 4.780 6.610 ( -2.722 0.000 0.730) 2.819 6.710 ( -1.183 0.000 0.555) 1.307 6.737 ( -3.363 0.000 -0.222) 3.370 6.797 ( -0.123 0.000 2.923) 2.925 6.830 ( -2.029 0.000 -1.781) 2.699 6.993 ( 2.459 0.000 0.010) 2.459 7.021 ( 2.688 0.000 0.484) 2.732 7.196 ( 0.049 0.000 -1.771) 1.772 7.243 ( 1.469 0.000 -1.304) 1.964 7.295 ( 0.744 0.000 0.677) 1.005 7.337 ( 1.493 0.000 0.523) 1.582 7.343 ( -0.612 0.000 0.700) 0.930 7.607 ( 0.039 0.000 -1.506) 1.506 7.628 ( -1.292 0.000 2.066) 2.436 7.666 ( -3.289 0.000 -1.841) 3.769 7.872 ( 0.662 0.000 0.114) 0.672 8.007 ( 0.307 0.000 0.855) 0.909 8.050 ( 1.843 0.000 0.642) 1.951 8.090 ( 1.075 0.000 0.658) 1.260 8.551 ( -1.150 0.000 -0.978) 1.509 8.642 ( -0.710 0.000 -0.055) 0.712 8.667 ( -0.607 0.000 0.065) 0.611 8.818 ( -0.063 0.000 -1.138) 1.140 11.621 ( -0.598 0.000 -0.067) 0.602 11.673 ( -0.080 0.000 -0.245) 0.258 11.722 ( -0.283 0.000 0.126) 0.310 11.734 ( 0.039 0.000 0.327) 0.329 13.930 ( -0.316 0.000 -0.002) 0.316 14.053 ( 0.665 0.000 -0.206) 0.696 14.139 ( 0.403 0.000 -0.154) 0.431 14.289 ( 0.785 0.000 -1.939) 2.092 15.411 ( -0.211 0.000 0.395) 0.448 15.597 ( 0.606 0.000 -0.275) 0.665 15.755 ( 2.541 0.000 -2.815) 3.792 15.882 ( -3.939 0.000 5.446) 6.721 16.275 ( 0.781 0.000 0.695) 1.045 16.415 ( -0.037 0.000 -0.115) 0.121 16.577 ( -1.417 0.000 -0.672) 1.568 16.798 ( -0.164 0.000 -0.555) 0.578 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 24.414 0.000) 24.414 0.586 ( 0.000 28.698 0.000) 28.698 1.000 ( 0.000 48.359 0.000) 48.359 1.384 ( 0.000 -17.974 0.000) 17.974 1.589 ( 0.000 -19.787 0.000) 19.787 2.048 ( 0.000 3.759 0.000) 3.759 2.103 ( 0.000 -2.137 0.000) 2.137 2.128 ( 0.000 10.328 0.000) 10.328 2.198 ( 0.000 4.782 0.000) 4.782 2.272 ( 0.000 4.654 0.000) 4.654 2.311 ( 0.000 2.200 0.000) 2.200 2.589 ( 0.000 -1.178 0.000) 1.178 2.597 ( 0.000 -8.629 0.000) 8.629 2.664 ( 0.000 -6.701 0.000) 6.701 2.667 ( 0.000 1.474 0.000) 1.474 2.847 ( 0.000 -3.983 0.000) 3.983 2.948 ( 0.000 -1.510 0.000) 1.510 2.967 ( 0.000 -16.565 0.000) 16.565 3.069 ( 0.000 1.792 0.000) 1.792 3.184 ( 0.000 0.217 0.000) 0.217 3.228 ( 0.000 1.622 0.000) 1.622 3.312 ( 0.000 6.390 0.000) 6.390 3.418 ( 0.000 2.594 0.000) 2.594 3.534 ( 0.000 -4.814 0.000) 4.814 3.577 ( 0.000 -3.667 0.000) 3.667 3.681 ( 0.000 -1.661 0.000) 1.661 3.800 ( 0.000 -1.605 0.000) 1.605 3.823 ( 0.000 -9.059 0.000) 9.059 4.067 ( 0.000 4.068 0.000) 4.068 4.140 ( 0.000 -3.363 0.000) 3.363 4.180 ( 0.000 0.954 0.000) 0.954 4.286 ( 0.000 -1.864 0.000) 1.864 4.499 ( 0.000 0.891 0.000) 0.891 4.525 ( 0.000 -0.216 0.000) 0.216 4.673 ( 0.000 4.150 0.000) 4.150 4.692 ( 0.000 3.136 0.000) 3.136 4.769 ( 0.000 1.728 0.000) 1.728 4.877 ( 0.000 -1.545 0.000) 1.545 4.911 ( 0.000 2.968 0.000) 2.968 4.986 ( 0.000 -1.639 0.000) 1.639 5.124 ( 0.000 3.066 0.000) 3.066 5.266 ( 0.000 -4.051 0.000) 4.051 5.309 ( 0.000 1.873 0.000) 1.873 5.360 ( 0.000 1.719 0.000) 1.719 5.401 ( 0.000 -1.738 0.000) 1.738 5.427 ( 0.000 -0.704 0.000) 0.704 5.604 ( 0.000 5.005 0.000) 5.005 5.697 ( 0.000 1.376 0.000) 1.376 5.730 ( 0.000 0.036 0.000) 0.036 5.759 ( 0.000 -1.622 0.000) 1.622 5.869 ( 0.000 1.997 0.000) 1.997 5.958 ( 0.000 -2.014 0.000) 2.014 6.210 ( 0.000 1.473 0.000) 1.473 6.261 ( 0.000 0.532 0.000) 0.532 6.476 ( 0.000 1.849 0.000) 1.849 6.507 ( 0.000 0.982 0.000) 0.982 6.581 ( 0.000 -0.962 0.000) 0.962 6.591 ( 0.000 -1.134 0.000) 1.134 6.651 ( 0.000 -1.266 0.000) 1.266 6.693 ( 0.000 -4.114 0.000) 4.114 6.944 ( 0.000 0.891 0.000) 0.891 6.946 ( 0.000 0.527 0.000) 0.527 7.018 ( 0.000 3.082 0.000) 3.082 7.050 ( 0.000 0.541 0.000) 0.541 7.095 ( 0.000 0.545 0.000) 0.545 7.133 ( 0.000 -1.197 0.000) 1.197 7.155 ( 0.000 -6.391 0.000) 6.391 7.280 ( 0.000 -3.535 0.000) 3.535 7.363 ( 0.000 2.377 0.000) 2.377 7.558 ( 0.000 -6.416 0.000) 6.416 7.639 ( 0.000 6.817 0.000) 6.817 7.739 ( 0.000 0.356 0.000) 0.356 7.922 ( 0.000 7.139 0.000) 7.139 7.946 ( 0.000 2.963 0.000) 2.963 8.045 ( 0.000 9.852 0.000) 9.852 8.212 ( 0.000 -3.523 0.000) 3.523 8.472 ( 0.000 -10.586 0.000) 10.586 8.610 ( 0.000 -7.272 0.000) 7.272 8.962 ( 0.000 11.231 0.000) 11.231 9.303 ( 0.000 -4.903 0.000) 4.903 11.689 ( 0.000 0.190 0.000) 0.190 11.694 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.473 0.000) 0.473 11.741 ( 0.000 -0.577 0.000) 0.577 13.990 ( 0.000 0.559 0.000) 0.559 14.021 ( 0.000 -0.727 0.000) 0.727 14.086 ( 0.000 0.897 0.000) 0.897 14.123 ( 0.000 -0.617 0.000) 0.617 15.465 ( 0.000 0.743 0.000) 0.743 15.512 ( 0.000 -1.236 0.000) 1.236 15.597 ( 0.000 1.521 0.000) 1.521 15.664 ( 0.000 -1.002 0.000) 1.002 16.454 ( 0.000 2.891 0.000) 2.891 16.632 ( 0.000 -4.770 0.000) 4.770 16.772 ( 0.000 1.586 0.000) 1.586 16.789 ( 0.000 0.204 0.000) 0.204 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 14.193 18.131 1.952) 23.108 0.706 ( 17.558 17.199 2.872) 24.745 1.356 ( 23.994 27.339 3.575) 36.550 1.460 ( 9.341 -10.372 1.989) 14.099 1.601 ( 2.504 -20.053 -1.787) 20.288 2.044 ( 0.709 4.808 -2.880) 5.649 2.091 ( -1.627 2.428 -2.734) 4.002 2.160 ( 1.940 0.986 3.496) 4.118 2.208 ( -0.521 4.001 1.871) 4.447 2.260 ( 1.163 6.087 -4.677) 7.764 2.303 ( -1.171 5.312 0.658) 5.479 2.528 ( -3.603 2.612 -1.405) 4.667 2.555 ( -4.124 -5.610 -1.795) 7.190 2.654 ( -1.657 -0.318 -2.246) 2.809 2.698 ( 2.409 -4.191 -2.829) 5.601 2.786 ( -4.673 -4.910 -0.754) 6.820 2.849 ( -5.181 -2.610 -2.709) 6.403 3.017 ( -2.741 4.177 1.815) 5.316 3.071 ( 5.238 -17.280 3.353) 18.365 3.165 ( -2.396 -0.189 0.886) 2.562 3.272 ( 0.374 1.962 2.944) 3.557 3.350 ( 1.873 0.457 4.163) 4.587 3.412 ( 0.632 2.047 0.826) 2.296 3.515 ( -2.262 -4.883 0.839) 5.446 3.535 ( -4.090 -2.314 2.783) 5.462 3.632 ( -4.618 -1.763 2.572) 5.572 3.798 ( 0.023 -1.006 -1.553) 1.851 3.839 ( 1.993 -7.427 -0.283) 7.695 3.980 ( -4.494 4.224 0.244) 6.173 4.165 ( 0.379 -4.347 -1.577) 4.639 4.287 ( 4.991 -1.367 -0.590) 5.208 4.327 ( 4.251 -1.932 -2.979) 5.539 4.447 ( -3.240 3.615 1.076) 4.972 4.584 ( 2.763 -1.559 0.414) 3.199 4.647 ( -3.639 4.173 1.240) 5.674 4.682 ( 0.927 0.622 -2.996) 3.197 4.768 ( -0.252 1.982 -1.353) 2.413 4.870 ( -0.789 -1.001 -0.832) 1.522 4.916 ( 0.628 2.578 -2.545) 3.677 4.968 ( -0.035 1.184 -2.233) 2.527 5.148 ( 2.079 1.431 -1.293) 2.836 5.242 ( -1.762 -3.520 -2.046) 4.437 5.304 ( -0.825 0.887 4.069) 4.245 5.359 ( 1.052 2.531 -3.969) 4.823 5.420 ( -1.600 -4.432 9.772) 10.848 5.428 ( -0.161 -1.031 -1.022) 1.461 5.600 ( -0.614 4.976 0.122) 5.015 5.664 ( -1.944 1.818 -0.322) 2.681 5.719 ( -0.009 0.355 0.211) 0.413 5.764 ( 0.937 -1.618 4.073) 4.481 5.903 ( 1.186 -0.037 1.362) 1.806 5.968 ( 0.586 -2.508 1.736) 3.106 6.204 ( 0.019 1.511 0.083) 1.513 6.308 ( 1.438 -2.561 1.364) 3.238 6.406 ( -3.726 1.074 0.586) 3.922 6.446 ( -3.848 0.371 -0.961) 3.984 6.571 ( -1.628 -0.055 -0.808) 1.818 6.655 ( 2.200 -0.113 -1.028) 2.431 6.681 ( 1.160 -3.590 -1.284) 3.985 6.708 ( 3.239 -2.383 0.610) 4.067 6.854 ( 0.003 2.063 -1.577) 2.596 6.945 ( -3.552 1.433 -0.395) 3.851 6.980 ( -2.895 -0.299 -1.509) 3.279 7.036 ( -7.086 2.133 1.140) 7.487 7.091 ( 3.124 -0.842 -0.622) 3.295 7.156 ( 2.545 -1.985 1.734) 3.664 7.210 ( 4.051 -2.047 0.031) 4.539 7.262 ( 1.183 0.285 -0.977) 1.561 7.407 ( 0.450 0.092 -1.466) 1.537 7.574 ( 0.904 -5.725 1.008) 5.883 7.689 ( 4.570 0.781 -3.145) 5.602 7.734 ( -0.725 0.341 -0.490) 0.939 7.926 ( 1.091 7.650 1.154) 7.813 7.951 ( -0.063 3.855 2.154) 4.416 8.043 ( -0.235 8.132 -0.130) 8.137 8.186 ( -2.274 1.834 2.010) 3.546 8.484 ( 0.993 -10.736 0.043) 10.782 8.592 ( -1.354 -6.829 -1.737) 7.175 8.883 ( -7.639 11.743 -0.374) 14.014 9.070 ( -10.931 7.386 -4.013) 13.789 11.673 ( -1.251 0.173 -0.424) 1.332 11.684 ( -0.688 -0.063 -0.358) 0.778 11.723 ( 0.387 0.227 0.799) 0.916 11.738 ( -0.350 -0.350 0.333) 0.597 13.975 ( -1.592 0.524 0.605) 1.782 13.995 ( -0.108 -0.415 0.358) 0.559 14.116 ( 2.583 1.646 -1.047) 3.237 14.206 ( 6.091 -3.082 -10.454) 12.485 15.451 ( -1.197 1.429 1.572) 2.439 15.544 ( 2.256 -0.803 -0.300) 2.413 15.647 ( 1.355 -2.205 2.220) 3.410 15.742 ( 5.533 -6.550 5.884) 10.399 16.447 ( -1.007 2.926 -0.036) 3.095 16.549 ( -9.456 8.237 6.440) 14.097 16.648 ( -2.713 -0.442 -3.604) 4.532 16.802 ( -0.840 -2.348 -3.095) 3.975 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 19.225 6.218 6.267) 21.155 1.092 ( 19.970 7.890 2.228) 21.587 1.585 ( 8.275 -12.060 3.611) 15.065 1.688 ( 8.289 -15.741 -1.664) 17.868 1.853 ( 15.683 9.275 -2.243) 18.358 2.006 ( -3.603 3.898 -1.887) 5.633 2.093 ( 2.472 -1.523 -2.297) 3.703 2.124 ( -4.492 4.778 -1.681) 6.770 2.234 ( 1.609 2.521 -1.261) 3.246 2.282 ( -0.180 9.748 2.951) 10.186 2.303 ( 4.067 6.654 -3.887) 8.714 2.442 ( -5.201 1.276 -1.734) 5.629 2.492 ( -0.484 4.874 -0.223) 4.903 2.584 ( -3.005 -0.201 -2.556) 3.950 2.655 ( -4.644 -2.053 -4.753) 6.955 2.718 ( -1.696 -3.488 -2.338) 4.529 2.792 ( 0.531 2.140 0.973) 2.410 2.966 ( -3.731 2.867 2.237) 5.210 3.104 ( -3.790 -4.394 3.913) 6.999 3.199 ( 5.275 -7.883 2.222) 9.742 3.281 ( -0.000 -0.307 3.462) 3.475 3.354 ( -2.614 -3.679 0.705) 4.568 3.436 ( -1.418 -6.559 0.452) 6.725 3.450 ( -4.409 -0.003 1.901) 4.801 3.472 ( -1.376 -2.855 4.348) 5.381 3.582 ( -1.189 1.956 1.335) 2.650 3.782 ( -0.969 0.239 -2.036) 2.267 3.883 ( 2.066 -7.312 1.213) 7.695 3.927 ( -0.831 0.879 0.598) 1.350 4.120 ( -3.878 -8.252 -2.365) 9.420 4.329 ( 1.417 1.340 -2.684) 3.318 4.360 ( -2.312 3.374 -0.040) 4.090 4.444 ( 3.299 0.877 -0.035) 3.414 4.563 ( -3.225 3.526 -1.947) 5.160 4.625 ( -0.064 0.700 1.521) 1.676 4.663 ( -1.882 -1.822 -3.031) 4.005 4.759 ( -0.177 3.377 1.159) 3.575 4.838 ( -2.008 0.550 -1.192) 2.399 4.923 ( 1.204 3.092 -2.849) 4.374 4.977 ( 0.842 0.147 0.488) 0.985 5.177 ( 1.182 -0.360 -0.206) 1.253 5.203 ( -1.269 -2.056 -1.748) 2.982 5.318 ( 0.246 -0.606 3.550) 3.610 5.376 ( 1.788 1.338 -1.068) 2.476 5.387 ( -3.003 -3.225 4.787) 6.506 5.426 ( 0.064 -0.304 -1.243) 1.282 5.584 ( -1.327 4.017 0.624) 4.276 5.652 ( 0.369 0.792 0.434) 0.976 5.744 ( 1.093 0.469 4.024) 4.196 5.807 ( 2.604 -2.864 1.021) 4.003 5.928 ( 1.262 -0.880 0.694) 1.688 5.972 ( -0.848 -2.503 1.149) 2.881 6.206 ( 0.003 1.187 -0.038) 1.188 6.269 ( -3.861 -1.521 0.034) 4.150 6.367 ( -2.338 2.306 -0.982) 3.428 6.414 ( 0.903 0.279 0.531) 1.084 6.536 ( -0.685 0.043 -3.199) 3.272 6.639 ( -1.577 -0.874 -1.434) 2.303 6.687 ( -0.195 -3.172 -0.232) 3.187 6.769 ( 0.562 -3.876 0.670) 3.973 6.850 ( -4.980 1.365 0.238) 5.169 6.869 ( -3.579 1.507 -0.071) 3.884 6.947 ( 0.959 0.056 -2.023) 2.239 6.958 ( 2.665 0.774 1.531) 3.169 7.136 ( 1.403 -1.522 -2.229) 3.042 7.205 ( 2.935 -4.051 -2.397) 5.547 7.269 ( 2.356 1.752 0.735) 3.027 7.309 ( 2.748 0.602 0.163) 2.818 7.390 ( -1.089 4.069 1.189) 4.377 7.581 ( -0.570 -4.657 0.913) 4.780 7.694 ( -1.564 2.914 -1.335) 3.567 7.734 ( -0.041 -1.920 -3.092) 3.640 7.951 ( 0.387 5.713 1.607) 5.947 7.993 ( 3.508 4.920 2.797) 6.659 8.032 ( -0.707 4.991 0.047) 5.041 8.163 ( -1.104 3.843 2.136) 4.533 8.502 ( 0.673 -8.689 0.338) 8.721 8.552 ( -1.794 -6.077 -2.150) 6.691 8.756 ( -4.282 7.579 -0.800) 8.742 8.927 ( -4.729 3.616 -2.010) 6.283 11.645 ( -1.298 0.391 -0.263) 1.381 11.672 ( -0.486 -0.580 -0.476) 0.894 11.730 ( -0.134 0.069 0.528) 0.549 11.733 ( -0.170 0.055 0.560) 0.588 13.951 ( -0.950 0.785 0.185) 1.246 14.006 ( 0.775 -1.829 0.022) 1.987 14.158 ( 2.015 2.591 -1.126) 3.470 14.256 ( 2.807 -1.774 -5.634) 6.540 15.440 ( -0.494 2.272 1.255) 2.642 15.581 ( 1.693 -1.017 -0.370) 2.009 15.677 ( 1.570 -1.665 -0.395) 2.322 15.822 ( 0.562 -7.028 5.433) 8.901 16.398 ( -3.399 6.802 1.631) 7.777 16.470 ( -1.154 6.411 1.932) 6.795 16.592 ( -2.467 -2.488 -2.402) 4.248 16.771 ( -1.082 -3.816 -1.448) 4.222 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 11.069 2.747 5.126) 12.504 1.403 ( 10.117 1.533 0.184) 10.234 1.747 ( 5.401 -4.655 2.660) 7.610 1.840 ( 2.771 -2.057 1.861) 3.921 1.897 ( -3.489 2.874 -6.251) 7.714 1.958 ( 4.615 -5.690 -0.683) 7.358 2.075 ( 0.163 1.082 -1.614) 1.950 2.123 ( 0.486 -3.003 -0.867) 3.164 2.206 ( -9.377 -2.233 -1.088) 9.701 2.242 ( 0.566 9.013 0.436) 9.041 2.323 ( -2.527 -4.777 -3.589) 6.488 2.366 ( 0.101 4.979 -0.879) 5.057 2.472 ( -2.447 4.171 -0.225) 4.841 2.508 ( -1.044 1.338 -1.164) 2.058 2.688 ( -0.354 -2.618 -0.761) 2.749 2.812 ( 3.621 4.947 1.294) 6.266 2.821 ( 13.337 8.804 0.602) 15.992 2.897 ( -2.650 4.050 2.418) 5.410 3.055 ( -3.970 -4.532 1.069) 6.119 3.223 ( -5.033 5.757 1.663) 7.825 3.257 ( -2.266 0.094 -1.121) 2.530 3.305 ( -0.411 -2.002 0.831) 2.206 3.401 ( -1.858 -2.136 1.241) 3.091 3.412 ( -0.409 -8.654 0.099) 8.664 3.483 ( 1.005 -4.162 2.008) 4.729 3.582 ( 0.305 -1.492 0.220) 1.539 3.760 ( -0.454 -0.419 -0.910) 1.100 3.921 ( 1.368 -5.472 1.127) 5.752 3.942 ( 1.118 -3.026 1.657) 3.627 4.033 ( -3.467 -6.711 -2.339) 7.907 4.305 ( -1.403 2.104 -1.552) 2.967 4.343 ( 0.057 1.751 -0.067) 1.753 4.480 ( -0.131 -2.345 -0.460) 2.393 4.507 ( -1.030 -0.152 -1.041) 1.472 4.621 ( -0.436 1.007 0.805) 1.361 4.629 ( -0.423 3.702 -1.115) 3.889 4.767 ( 0.412 3.935 2.010) 4.438 4.795 ( -1.677 1.478 -1.577) 2.736 4.933 ( 0.565 3.810 -1.169) 4.025 4.994 ( 0.521 -1.709 0.448) 1.842 5.183 ( -0.322 -1.828 -0.536) 1.932 5.191 ( 0.212 -0.972 0.334) 1.049 5.327 ( -0.097 0.493 0.974) 1.096 5.360 ( -0.873 -2.478 1.820) 3.196 5.415 ( 1.675 -0.333 -0.398) 1.754 5.429 ( 0.260 -0.185 -0.535) 0.623 5.561 ( -0.860 3.060 0.555) 3.226 5.657 ( -0.240 -1.487 0.213) 1.521 5.781 ( 1.291 2.098 2.042) 3.199 5.859 ( 1.881 -1.883 1.239) 2.936 5.933 ( -0.990 -0.713 -0.862) 1.494 5.970 ( 0.658 -2.275 0.310) 2.389 6.201 ( -0.526 0.320 -0.677) 0.915 6.208 ( -1.810 0.076 0.591) 1.906 6.333 ( -0.750 3.820 -0.861) 3.987 6.430 ( 0.543 -0.071 -0.176) 0.575 6.536 ( 2.099 -0.642 -3.202) 3.882 6.592 ( -3.282 -1.729 1.056) 3.856 6.686 ( 0.104 -1.549 0.249) 1.573 6.722 ( -2.762 -1.606 -0.391) 3.219 6.792 ( -1.302 -0.331 1.320) 1.884 6.811 ( -1.728 -0.829 -0.675) 2.032 6.990 ( 2.347 -0.067 -0.285) 2.365 7.031 ( 2.403 -0.423 0.781) 2.562 7.139 ( 0.071 -1.133 -1.536) 1.910 7.242 ( 1.559 -4.432 -1.710) 4.999 7.299 ( 0.488 2.246 0.486) 2.349 7.334 ( -0.213 0.591 0.937) 1.128 7.397 ( 0.994 5.011 0.714) 5.159 7.569 ( -0.573 -3.622 0.321) 3.681 7.668 ( -0.474 2.724 -0.996) 2.939 7.699 ( -1.687 1.406 -1.099) 2.456 7.966 ( 0.446 7.009 1.127) 7.113 8.015 ( -0.409 2.709 -0.407) 2.770 8.067 ( 2.284 2.387 1.529) 3.641 8.150 ( -0.840 2.598 0.577) 2.791 8.502 ( -0.578 -4.473 -0.265) 4.518 8.528 ( -0.063 -7.631 -0.531) 7.649 8.708 ( -1.007 4.378 -0.285) 4.502 8.859 ( -1.691 0.992 -0.762) 2.103 11.627 ( -0.522 0.595 -0.091) 0.797 11.663 ( -0.193 -0.891 -0.210) 0.936 11.726 ( -0.181 0.318 0.154) 0.397 11.735 ( 0.019 -0.003 0.288) 0.289 13.940 ( -0.274 0.994 0.039) 1.031 14.017 ( 0.321 -2.561 -0.008) 2.581 14.180 ( 0.688 3.020 -0.464) 3.132 14.277 ( 0.846 -1.288 -1.634) 2.246 15.439 ( -0.089 2.762 0.475) 2.804 15.603 ( 0.652 -1.062 -0.206) 1.263 15.700 ( 0.877 -2.506 -0.563) 2.714 15.828 ( -0.791 -4.310 2.222) 4.913 16.364 ( -0.815 5.848 0.645) 5.940 16.470 ( 0.110 5.861 0.981) 5.944 16.544 ( -1.409 -2.876 -1.373) 3.484 16.754 ( -0.302 -4.370 -0.398) 4.398 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 -22.471 0.000) 22.471 0.965 ( 0.000 22.471 0.000) 22.471 1.131 ( 0.000 -25.568 0.000) 25.568 1.131 ( 0.000 25.568 0.000) 25.568 1.882 ( 0.000 -32.917 0.000) 32.917 1.882 ( 0.000 32.917 0.000) 32.917 2.129 ( 0.000 -8.682 0.000) 8.682 2.129 ( 0.000 8.682 0.000) 8.682 2.275 ( 0.000 -3.099 0.000) 3.099 2.275 ( 0.000 3.099 0.000) 3.099 2.416 ( 0.000 -5.848 0.000) 5.848 2.416 ( 0.000 5.848 0.000) 5.848 2.497 ( 0.000 -0.130 0.000) 0.130 2.497 ( 0.000 0.130 0.000) 0.130 2.757 ( 0.000 -4.954 0.000) 4.954 2.757 ( 0.000 4.954 0.000) 4.954 2.880 ( 0.000 -4.315 0.000) 4.315 2.880 ( 0.000 4.315 0.000) 4.315 3.155 ( 0.000 -3.348 0.000) 3.348 3.155 ( 0.000 3.348 0.000) 3.348 3.310 ( 0.000 -7.368 0.000) 7.368 3.310 ( 0.000 7.368 0.000) 7.368 3.482 ( 0.000 -1.798 0.000) 1.798 3.482 ( 0.000 1.798 0.000) 1.798 3.646 ( 0.000 -4.504 0.000) 4.504 3.646 ( 0.000 4.504 0.000) 4.504 3.674 ( 0.000 -0.185 0.000) 0.185 3.674 ( 0.000 0.185 0.000) 0.185 4.114 ( 0.000 -0.810 0.000) 0.810 4.114 ( 0.000 0.810 0.000) 0.810 4.227 ( 0.000 -3.441 0.000) 3.441 4.227 ( 0.000 3.441 0.000) 3.441 4.515 ( 0.000 -0.723 0.000) 0.723 4.515 ( 0.000 0.723 0.000) 0.723 4.728 ( 0.000 -0.486 0.000) 0.486 4.728 ( 0.000 0.486 0.000) 0.486 4.828 ( 0.000 -3.249 0.000) 3.249 4.828 ( 0.000 3.249 0.000) 3.249 4.952 ( 0.000 -1.588 0.000) 1.588 4.952 ( 0.000 1.588 0.000) 1.588 5.188 ( 0.000 -3.406 0.000) 3.406 5.188 ( 0.000 3.406 0.000) 3.406 5.354 ( 0.000 -2.335 0.000) 2.335 5.354 ( 0.000 2.335 0.000) 2.335 5.403 ( 0.000 -1.681 0.000) 1.681 5.403 ( 0.000 1.681 0.000) 1.681 5.702 ( 0.000 -4.123 0.000) 4.123 5.702 ( 0.000 4.123 0.000) 4.123 5.723 ( 0.000 -0.938 0.000) 0.938 5.723 ( 0.000 0.938 0.000) 0.938 5.913 ( 0.000 -2.274 0.000) 2.274 5.913 ( 0.000 2.274 0.000) 2.274 6.247 ( 0.000 -1.766 0.000) 1.766 6.247 ( 0.000 1.766 0.000) 1.766 6.539 ( 0.000 -3.337 0.000) 3.337 6.539 ( 0.000 3.337 0.000) 3.337 6.544 ( 0.000 -2.909 0.000) 2.909 6.544 ( 0.000 2.909 0.000) 2.909 6.640 ( 0.000 -0.667 0.000) 0.667 6.640 ( 0.000 0.667 0.000) 0.667 6.962 ( 0.000 -0.069 0.000) 0.069 6.962 ( 0.000 0.069 0.000) 0.069 7.039 ( 0.000 -1.014 0.000) 1.014 7.039 ( 0.000 1.014 0.000) 1.014 7.093 ( 0.000 -1.748 0.000) 1.748 7.093 ( 0.000 1.748 0.000) 1.748 7.183 ( 0.000 -5.676 0.000) 5.676 7.183 ( 0.000 5.676 0.000) 5.676 7.442 ( 0.000 -5.022 0.000) 5.022 7.442 ( 0.000 5.022 0.000) 5.022 7.729 ( 0.000 -1.864 0.000) 1.864 7.729 ( 0.000 1.864 0.000) 1.864 8.029 ( 0.000 -0.950 0.000) 0.950 8.029 ( 0.000 0.950 0.000) 0.950 8.136 ( 0.000 -1.476 0.000) 1.476 8.136 ( 0.000 1.476 0.000) 1.476 8.433 ( 0.000 -7.980 0.000) 7.980 8.433 ( 0.000 7.980 0.000) 7.980 9.164 ( 0.000 -8.785 0.000) 8.785 9.164 ( 0.000 8.785 0.000) 8.785 11.693 ( 0.000 -0.140 0.000) 0.140 11.693 ( 0.000 0.140 0.000) 0.140 11.727 ( 0.000 -0.753 0.000) 0.753 11.727 ( 0.000 0.753 0.000) 0.753 14.004 ( 0.000 -0.843 0.000) 0.843 14.004 ( 0.000 0.843 0.000) 0.843 14.107 ( 0.000 -1.007 0.000) 1.007 14.107 ( 0.000 1.007 0.000) 1.007 15.485 ( 0.000 -1.299 0.000) 1.299 15.485 ( 0.000 1.299 0.000) 1.299 15.634 ( 0.000 -1.917 0.000) 1.917 15.634 ( 0.000 1.917 0.000) 1.917 16.533 ( 0.000 -4.762 0.000) 4.762 16.533 ( 0.000 4.762 0.000) 4.762 16.790 ( 0.000 -0.287 0.000) 0.287 16.790 ( 0.000 0.287 0.000) 0.287 ======================= Grid point 16 (10/75) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 8.606 -19.697 2.213) 21.608 1.068 ( 8.606 19.697 2.213) 21.608 1.143 ( 4.894 -24.297 -1.503) 24.830 1.143 ( 4.894 24.297 -1.503) 24.830 1.967 ( 5.031 -16.863 -1.371) 17.651 1.967 ( 5.031 16.863 -1.371) 17.651 2.156 ( 1.257 -5.514 -2.504) 6.185 2.156 ( 1.257 5.514 -2.504) 6.185 2.313 ( 5.316 -8.014 2.545) 9.948 2.313 ( 5.316 8.014 2.545) 9.948 2.421 ( 1.582 -2.708 -0.602) 3.194 2.421 ( 1.582 2.708 -0.602) 3.194 2.494 ( 0.425 -4.144 -1.093) 4.306 2.494 ( 0.425 4.144 -1.093) 4.306 2.712 ( -3.639 -3.852 -1.579) 5.530 2.712 ( -3.639 3.852 -1.579) 5.530 2.856 ( -2.568 -5.327 0.004) 5.913 2.856 ( -2.568 5.327 0.004) 5.913 3.121 ( -2.994 -5.136 2.358) 6.396 3.121 ( -2.994 5.136 2.358) 6.396 3.340 ( 1.424 -5.387 1.745) 5.839 3.340 ( 1.424 5.387 1.745) 5.839 3.424 ( -5.059 -5.027 0.963) 7.197 3.424 ( -5.059 5.027 0.963) 7.197 3.608 ( -2.485 -5.415 1.656) 6.184 3.608 ( -2.485 5.415 1.656) 6.184 3.715 ( 2.465 -1.700 -0.170) 2.999 3.715 ( 2.465 1.700 -0.170) 2.999 4.079 ( -3.345 -4.639 -1.527) 5.920 4.079 ( -3.345 4.639 -1.527) 5.920 4.288 ( 5.237 -1.350 -1.413) 5.590 4.288 ( 5.237 1.350 -1.413) 5.590 4.517 ( 0.163 -3.490 0.654) 3.554 4.517 ( 0.163 3.490 0.654) 3.554 4.711 ( -1.847 -0.416 -0.341) 1.924 4.711 ( -1.847 0.416 -0.341) 1.924 4.827 ( -0.180 -3.142 -0.313) 3.162 4.827 ( -0.180 3.142 -0.313) 3.162 4.958 ( 0.586 -1.557 -0.446) 1.722 4.958 ( 0.586 1.557 -0.446) 1.722 5.183 ( -0.050 -2.175 -1.909) 2.895 5.183 ( -0.050 2.175 -1.909) 2.895 5.344 ( -2.088 -2.961 6.009) 7.016 5.344 ( -2.088 2.961 6.009) 7.016 5.405 ( 0.719 -1.756 -2.927) 3.488 5.405 ( 0.719 1.756 -2.927) 3.488 5.680 ( -1.517 -2.165 -0.881) 2.787 5.680 ( -1.517 2.165 -0.881) 2.787 5.725 ( 0.240 -1.772 1.699) 2.467 5.725 ( 0.240 1.772 1.699) 2.467 5.921 ( 0.266 -1.812 1.730) 2.519 5.921 ( 0.266 1.812 1.730) 2.519 6.252 ( 0.049 -2.937 0.496) 2.979 6.252 ( 0.049 2.937 0.496) 2.979 6.440 ( -3.741 -1.396 -0.676) 4.049 6.440 ( -3.741 1.396 -0.676) 4.049 6.598 ( -0.546 -3.164 -1.297) 3.463 6.598 ( -0.546 3.164 -1.297) 3.463 6.671 ( 3.294 -1.225 0.382) 3.535 6.671 ( 3.294 1.225 0.382) 3.535 6.918 ( -1.253 -3.633 -2.393) 4.527 6.918 ( -1.253 3.633 -2.393) 4.527 7.011 ( -4.362 -3.230 -0.118) 5.428 7.011 ( -4.362 3.230 -0.118) 5.428 7.109 ( 1.436 -1.775 -1.246) 2.601 7.109 ( 1.436 1.775 -1.246) 2.601 7.226 ( 4.155 -2.844 0.829) 5.103 7.226 ( 4.155 2.844 0.829) 5.103 7.467 ( 1.747 -4.792 0.682) 5.145 7.467 ( 1.747 4.792 0.682) 5.145 7.723 ( -0.165 -1.767 -1.712) 2.466 7.723 ( -0.165 1.767 -1.712) 2.466 8.036 ( 0.457 -1.935 1.105) 2.275 8.036 ( 0.457 1.935 1.105) 2.275 8.137 ( -0.343 -3.952 1.874) 4.387 8.137 ( -0.343 3.952 1.874) 4.387 8.434 ( 0.225 -6.715 -0.887) 6.778 8.434 ( 0.225 6.715 -0.887) 6.778 9.066 ( -8.387 -5.918 -0.812) 10.297 9.066 ( -8.387 5.918 -0.812) 10.297 11.679 ( -1.076 -0.382 -0.398) 1.209 11.679 ( -1.076 0.382 -0.398) 1.209 11.730 ( 0.066 -0.428 0.602) 0.742 11.730 ( 0.066 0.428 0.602) 0.742 13.985 ( -1.240 -0.505 0.796) 1.558 13.985 ( -1.240 0.505 0.796) 1.558 14.155 ( 4.267 -2.207 -3.534) 5.964 14.155 ( 4.267 2.207 -3.534) 5.964 15.493 ( 0.272 -2.814 2.047) 3.491 15.493 ( 0.272 2.814 2.047) 3.491 15.666 ( 2.750 -2.757 0.195) 3.899 15.666 ( 2.750 2.757 0.195) 3.899 16.522 ( -1.344 -4.301 0.658) 4.553 16.522 ( -1.344 4.301 0.658) 4.553 16.735 ( -4.397 -4.513 -0.847) 6.357 16.735 ( -4.397 4.513 -0.847) 6.357 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 9.890 -9.204 1.304) 13.573 1.235 ( 9.890 9.204 1.304) 13.573 1.382 ( 16.859 -8.656 2.220) 19.081 1.382 ( 16.859 8.656 2.220) 19.081 1.996 ( -0.489 -4.493 -3.352) 5.627 1.996 ( -0.489 4.493 -3.352) 5.627 2.124 ( -2.315 -3.304 -3.137) 5.111 2.124 ( -2.315 3.304 -3.137) 5.111 2.369 ( -1.983 -3.282 -2.002) 4.326 2.369 ( -1.983 3.282 -2.002) 4.326 2.441 ( -1.358 -7.192 -0.283) 7.324 2.441 ( -1.358 7.192 -0.283) 7.324 2.537 ( -0.804 -8.671 -1.976) 8.929 2.537 ( -0.804 8.671 -1.976) 8.929 2.700 ( 5.904 -3.079 -1.122) 6.752 2.700 ( 5.904 3.079 -1.122) 6.752 2.839 ( 3.906 -12.303 2.594) 13.166 2.839 ( 3.906 12.303 2.594) 13.166 3.068 ( -3.544 -1.763 4.101) 5.699 3.068 ( -3.544 1.763 4.101) 5.699 3.322 ( -3.585 -3.298 1.870) 5.218 3.322 ( -3.585 3.298 1.870) 5.218 3.376 ( -0.097 -4.816 1.841) 5.157 3.376 ( -0.097 4.816 1.841) 5.157 3.564 ( -3.700 -6.198 1.385) 7.350 3.564 ( -3.700 6.198 1.385) 7.350 3.755 ( 1.868 -3.164 0.476) 3.705 3.755 ( 1.868 3.164 0.476) 3.705 4.000 ( -3.486 -4.902 -1.832) 6.288 4.000 ( -3.486 4.902 -1.832) 6.288 4.359 ( 2.325 -1.976 -2.009) 3.654 4.359 ( 2.325 1.976 -2.009) 3.654 4.505 ( -2.273 -5.140 -0.717) 5.666 4.505 ( -2.273 5.140 -0.717) 5.666 4.672 ( -1.308 -1.312 -0.014) 1.853 4.672 ( -1.308 1.312 -0.014) 1.853 4.820 ( -0.369 -2.896 0.190) 2.926 4.820 ( -0.369 2.896 0.190) 2.926 4.967 ( 0.538 -1.268 -0.923) 1.658 4.967 ( 0.538 1.268 -0.923) 1.658 5.176 ( -0.019 -0.569 -1.324) 1.442 5.176 ( -0.019 0.569 -1.324) 1.442 5.329 ( -1.485 -1.900 5.227) 5.757 5.329 ( -1.485 1.900 5.227) 5.757 5.409 ( 0.839 -1.354 -1.931) 2.503 5.409 ( 0.839 1.354 -1.931) 2.503 5.650 ( -1.759 -1.840 -0.241) 2.557 5.650 ( -1.759 1.840 -0.241) 2.557 5.758 ( 2.640 -1.448 2.747) 4.076 5.758 ( 2.640 1.448 2.747) 4.076 5.930 ( 0.126 -1.258 0.765) 1.478 5.930 ( 0.126 1.258 0.765) 1.478 6.237 ( -1.667 -1.681 0.132) 2.371 6.237 ( -1.667 1.681 0.132) 2.371 6.403 ( -0.249 -1.289 -1.083) 1.702 6.403 ( -0.249 1.289 -1.083) 1.702 6.572 ( -1.038 -3.626 -1.340) 4.003 6.572 ( -1.038 3.626 -1.340) 4.003 6.702 ( -0.138 -2.725 -0.115) 2.731 6.702 ( -0.138 2.725 -0.115) 2.731 6.878 ( -5.036 -0.954 -1.090) 5.240 6.878 ( -5.036 0.954 -1.090) 5.240 6.954 ( 1.837 -0.826 -0.565) 2.092 6.954 ( 1.837 0.826 -0.565) 2.092 7.137 ( 2.063 -1.723 -1.802) 3.236 7.137 ( 2.063 1.723 -1.802) 3.236 7.305 ( 3.121 -1.180 0.939) 3.466 7.305 ( 3.121 1.180 0.939) 3.466 7.488 ( 0.018 -4.932 1.241) 5.086 7.488 ( 0.018 4.932 1.241) 5.086 7.712 ( -0.216 -0.237 -2.442) 2.463 7.712 ( -0.216 0.237 -2.442) 2.463 8.051 ( 0.580 -2.802 1.392) 3.182 8.051 ( 0.580 2.802 1.392) 3.182 8.137 ( -0.495 -5.250 2.058) 5.660 8.137 ( -0.495 5.250 2.058) 5.660 8.435 ( 0.245 -3.649 -0.912) 3.769 8.435 ( 0.245 3.649 -0.912) 3.769 8.907 ( -6.908 -5.393 -0.943) 8.815 8.907 ( -6.908 5.393 -0.943) 8.815 11.657 ( -0.958 -0.744 -0.371) 1.269 11.657 ( -0.958 0.744 -0.371) 1.269 11.732 ( -0.075 -0.130 0.559) 0.579 11.732 ( -0.075 0.130 0.559) 0.579 13.973 ( -0.374 -1.395 0.341) 1.484 13.973 ( -0.374 1.395 0.341) 1.484 14.211 ( 2.774 -2.609 -2.878) 4.773 14.211 ( 2.774 2.609 -2.878) 4.773 15.508 ( 0.466 -4.394 1.535) 4.677 15.508 ( 0.466 4.394 1.535) 4.677 15.714 ( 1.849 -4.142 0.480) 4.561 15.714 ( 1.849 4.142 0.480) 4.561 16.490 ( -2.083 -3.918 0.992) 4.547 16.490 ( -2.083 3.918 0.992) 4.547 16.660 ( -2.585 -7.071 -1.029) 7.598 16.660 ( -2.585 7.071 -1.029) 7.598 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.577 -1.674 1.343) 6.918 1.418 ( 6.577 1.674 1.343) 6.918 1.721 ( 15.342 -4.168 3.441) 16.266 1.721 ( 15.342 4.168 3.441) 16.266 1.944 ( -2.608 -3.270 -3.691) 5.579 1.944 ( -2.608 3.270 -3.691) 5.579 2.080 ( -0.839 -2.692 -1.318) 3.113 2.080 ( -0.839 2.692 -1.318) 3.113 2.190 ( -11.884 -4.449 -2.594) 12.952 2.190 ( -11.884 4.449 -2.594) 12.952 2.445 ( 0.731 -7.616 0.076) 7.651 2.445 ( 0.731 7.616 0.076) 7.651 2.508 ( -0.432 -3.544 -0.982) 3.703 2.508 ( -0.432 3.544 -0.982) 3.703 2.741 ( 0.676 -9.156 -1.364) 9.282 2.741 ( 0.676 9.156 -1.364) 9.282 2.922 ( -1.510 -2.505 2.564) 3.889 2.922 ( -1.510 2.505 2.564) 3.889 3.157 ( 11.896 -10.942 1.606) 16.243 3.157 ( 11.896 10.942 1.606) 16.243 3.286 ( -0.864 -2.403 1.143) 2.797 3.286 ( -0.864 2.403 1.143) 2.797 3.377 ( -1.741 -6.936 2.718) 7.650 3.377 ( -1.741 6.936 2.718) 7.650 3.451 ( -7.074 -7.660 -1.437) 10.525 3.451 ( -7.074 7.660 -1.437) 10.525 3.789 ( 1.070 -4.882 0.611) 5.036 3.789 ( 1.070 4.882 0.611) 5.036 3.954 ( -0.742 -2.970 -0.910) 3.193 3.954 ( -0.742 2.970 -0.910) 3.193 4.357 ( -1.050 -2.745 -1.569) 3.331 4.357 ( -1.050 2.745 -1.569) 3.331 4.457 ( -1.314 -3.071 0.023) 3.341 4.457 ( -1.314 3.071 0.023) 3.341 4.662 ( -0.138 -1.653 -0.123) 1.663 4.662 ( -0.138 1.653 -0.123) 1.663 4.818 ( -0.019 -2.821 0.192) 2.827 4.818 ( -0.019 2.821 0.192) 2.827 4.971 ( 0.244 -0.473 -0.516) 0.741 4.971 ( 0.244 0.473 -0.516) 0.741 5.171 ( -0.161 -0.719 -0.082) 0.741 5.171 ( -0.161 0.719 -0.082) 0.741 5.329 ( -0.113 -0.461 1.589) 1.659 5.329 ( -0.113 0.461 1.589) 1.659 5.422 ( 0.719 -0.635 -0.437) 1.054 5.422 ( 0.719 0.635 -0.437) 1.054 5.615 ( -1.376 -2.470 0.070) 2.828 5.615 ( -1.376 2.470 0.070) 2.828 5.827 ( 2.477 -1.915 2.244) 3.852 5.827 ( 2.477 1.915 2.244) 3.852 5.930 ( -0.189 -0.956 -0.640) 1.166 5.930 ( -0.189 0.956 -0.640) 1.166 6.207 ( -1.070 -0.204 -0.031) 1.090 6.207 ( -1.070 0.204 -0.031) 1.090 6.404 ( 0.591 -2.763 -1.389) 3.148 6.404 ( 0.591 2.763 -1.389) 3.148 6.549 ( -1.096 -2.002 -0.181) 2.289 6.549 ( -1.096 2.002 -0.181) 2.289 6.685 ( -0.943 -1.463 -0.024) 1.741 6.685 ( -0.943 1.463 -0.024) 1.741 6.797 ( -2.124 -0.663 -0.176) 2.232 6.797 ( -2.124 0.663 -0.176) 2.232 7.002 ( 1.929 -1.455 -0.011) 2.416 7.002 ( 1.929 1.455 -0.011) 2.416 7.163 ( 1.025 -2.732 -1.133) 3.130 7.163 ( 1.025 2.732 -1.133) 3.130 7.339 ( 0.350 -0.705 0.591) 0.984 7.339 ( 0.350 0.705 0.591) 0.984 7.492 ( 0.116 -4.305 0.671) 4.359 7.492 ( 0.116 4.305 0.671) 4.359 7.698 ( -0.349 -0.803 -1.223) 1.504 7.698 ( -0.349 0.803 -1.223) 1.504 8.064 ( 0.250 -1.652 0.720) 1.819 8.064 ( 0.250 1.652 0.720) 1.819 8.135 ( -0.209 -3.755 0.751) 3.835 8.135 ( -0.209 3.755 0.751) 3.835 8.435 ( 0.068 -0.837 -0.342) 0.907 8.435 ( 0.068 0.837 -0.342) 0.907 8.816 ( -2.308 -4.990 -0.445) 5.515 8.816 ( -2.308 4.990 -0.445) 5.515 11.643 ( -0.366 -1.013 -0.150) 1.087 11.643 ( -0.366 1.013 -0.150) 1.087 11.732 ( -0.051 -0.272 0.220) 0.354 11.732 ( -0.051 0.272 0.220) 0.354 13.970 ( -0.063 -1.994 0.085) 1.997 13.970 ( -0.063 1.994 0.085) 1.997 14.238 ( 0.872 -2.539 -1.006) 2.867 14.238 ( 0.872 2.539 -1.006) 2.867 15.519 ( 0.245 -5.109 0.503) 5.140 15.519 ( 0.245 5.109 0.503) 5.140 15.736 ( 0.440 -4.281 0.223) 4.309 15.736 ( 0.440 4.281 0.223) 4.309 16.461 ( -0.974 -4.338 0.417) 4.465 16.461 ( -0.974 4.338 0.417) 4.465 16.630 ( -0.565 -7.804 -0.406) 7.835 16.630 ( -0.565 7.804 -0.406) 7.835 ======================= Grid point 35 (13/75) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 3.463 0.000 24.294) 24.539 0.464 ( -1.584 0.000 24.542) 24.593 0.891 ( -3.306 0.000 46.197) 46.315 1.679 ( 2.004 0.000 5.021) 5.406 1.907 ( -3.768 0.000 3.306) 5.013 1.921 ( -1.308 0.000 -2.607) 2.917 1.945 ( -1.910 0.000 -0.498) 1.974 2.172 ( 3.144 0.000 0.803) 3.245 2.175 ( 1.379 0.000 1.263) 1.870 2.248 ( -2.504 0.000 1.340) 2.840 2.278 ( -0.813 0.000 0.760) 1.113 2.488 ( -2.568 0.000 -5.689) 6.242 2.492 ( 0.634 0.000 -11.163) 11.181 2.711 ( -0.607 0.000 1.159) 1.308 2.772 ( -3.531 0.000 0.761) 3.612 2.805 ( -2.741 0.000 -10.023) 10.391 2.934 ( 0.915 0.000 0.840) 1.242 3.001 ( -1.489 0.000 1.998) 2.491 3.149 ( 2.866 0.000 -2.542) 3.831 3.181 ( 1.188 0.000 -3.167) 3.383 3.289 ( 1.609 0.000 3.447) 3.804 3.430 ( 16.638 0.000 2.646) 16.847 3.481 ( 2.017 0.000 2.060) 2.883 3.544 ( -1.302 0.000 1.394) 1.908 3.709 ( 2.081 0.000 0.293) 2.102 3.726 ( -2.679 0.000 1.342) 2.997 3.733 ( -1.937 0.000 5.570) 5.897 3.892 ( -2.404 0.000 2.798) 3.689 3.963 ( 6.284 0.000 0.435) 6.299 4.152 ( -3.088 0.000 -4.580) 5.524 4.180 ( -1.821 0.000 -1.184) 2.172 4.293 ( -1.152 0.000 -0.628) 1.312 4.449 ( 1.992 0.000 0.900) 2.186 4.506 ( -1.667 0.000 -1.608) 2.317 4.579 ( -2.049 0.000 -3.400) 3.970 4.706 ( -1.080 0.000 1.513) 1.859 4.849 ( -8.973 0.000 -1.066) 9.036 4.850 ( 1.909 0.000 -1.420) 2.379 4.874 ( -2.218 0.000 1.165) 2.505 4.900 ( -1.319 0.000 0.486) 1.405 5.099 ( -0.241 0.000 0.990) 1.019 5.217 ( -0.047 0.000 -4.356) 4.356 5.254 ( 0.953 0.000 -7.833) 7.891 5.379 ( -1.662 0.000 -3.020) 3.447 5.393 ( -2.054 0.000 4.538) 4.981 5.552 ( -0.549 0.000 0.483) 0.731 5.652 ( -0.631 0.000 -0.741) 0.973 5.676 ( 1.717 0.000 2.701) 3.201 5.839 ( -2.278 0.000 0.171) 2.284 5.869 ( 3.298 0.000 8.871) 9.464 5.963 ( 2.063 0.000 -2.210) 3.023 6.111 ( -6.962 0.000 -0.517) 6.981 6.198 ( -0.129 0.000 0.329) 0.353 6.288 ( 8.098 0.000 1.440) 8.225 6.449 ( 0.538 0.000 -1.366) 1.468 6.566 ( 2.485 0.000 -2.632) 3.620 6.608 ( 2.521 0.000 0.255) 2.534 6.627 ( -2.530 0.000 -0.817) 2.659 6.679 ( -4.050 0.000 -0.516) 4.082 6.738 ( 4.457 0.000 -1.045) 4.578 6.918 ( -0.419 0.000 -0.396) 0.577 6.924 ( -2.702 0.000 0.603) 2.769 6.992 ( -0.881 0.000 2.631) 2.774 7.037 ( 10.909 0.000 -1.242) 10.980 7.087 ( -2.345 0.000 0.438) 2.385 7.131 ( 15.923 0.000 2.831) 16.173 7.208 ( 0.941 0.000 -1.503) 1.773 7.234 ( -0.700 0.000 -0.873) 1.119 7.528 ( -0.509 0.000 -1.126) 1.236 7.637 ( 1.490 0.000 -1.402) 2.046 7.710 ( 0.026 0.000 -1.122) 1.122 7.789 ( -20.392 0.000 -2.423) 20.536 7.813 ( -0.304 0.000 -0.679) 0.744 7.853 ( -0.741 0.000 -0.433) 0.859 7.914 ( 2.238 0.000 2.433) 3.306 7.942 ( 1.061 0.000 1.801) 2.091 8.633 ( -1.206 0.000 -3.010) 3.243 8.687 ( -0.070 0.000 -1.965) 1.966 8.747 ( -3.628 0.000 2.140) 4.212 8.750 ( 0.390 0.000 0.060) 0.395 11.688 ( -0.677 0.000 0.190) 0.703 11.691 ( -0.547 0.000 0.629) 0.834 11.718 ( 1.132 0.000 0.767) 1.367 11.746 ( 0.177 0.000 -0.112) 0.209 13.992 ( 0.789 0.000 0.805) 1.127 13.993 ( -0.112 0.000 0.727) 0.736 14.077 ( -0.285 0.000 0.108) 0.305 14.165 ( -24.425 0.000 -1.092) 24.449 15.440 ( 1.224 0.000 -1.140) 1.673 15.549 ( -1.531 0.000 3.877) 4.168 15.642 ( 0.135 0.000 -3.140) 3.143 15.983 ( 31.770 0.000 -1.600) 31.811 16.225 ( 0.554 0.000 1.079) 1.213 16.407 ( 0.127 0.000 -1.772) 1.776 16.697 ( -0.674 0.000 -0.463) 0.818 16.789 ( -6.676 0.000 -1.327) 6.806 ======================= Grid point 36 (14/75) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 19.455 0.000 16.766) 25.682 0.800 ( 18.677 0.000 16.668) 25.033 1.251 ( 20.710 0.000 31.170) 37.423 1.772 ( 4.934 0.000 6.876) 8.463 1.865 ( -0.637 0.000 0.426) 0.766 1.880 ( 0.358 0.000 -4.770) 4.783 1.953 ( 2.191 0.000 -0.545) 2.258 2.173 ( -5.637 0.000 2.415) 6.132 2.229 ( 2.635 0.000 0.526) 2.687 2.233 ( 3.251 0.000 0.824) 3.353 2.236 ( -3.012 0.000 1.196) 3.241 2.371 ( -6.250 0.000 -4.907) 7.946 2.428 ( -3.291 0.000 -10.419) 10.927 2.666 ( -4.891 0.000 -1.176) 5.031 2.676 ( -4.448 0.000 -2.030) 4.889 2.706 ( -3.018 0.000 -8.806) 9.309 2.928 ( -5.587 0.000 -0.316) 5.595 2.950 ( -0.337 0.000 1.769) 1.801 3.191 ( 0.680 0.000 -2.586) 2.674 3.232 ( 5.058 0.000 0.649) 5.099 3.316 ( -0.102 0.000 2.529) 2.531 3.502 ( -0.305 0.000 1.601) 1.630 3.523 ( -4.642 0.000 3.482) 5.803 3.588 ( 3.958 0.000 0.731) 4.025 3.644 ( -3.790 0.000 2.145) 4.355 3.695 ( -3.976 0.000 1.067) 4.116 3.721 ( -3.171 0.000 2.191) 3.854 3.868 ( -0.009 0.000 0.335) 0.335 4.053 ( 1.556 0.000 5.201) 5.429 4.183 ( 2.023 0.000 -1.789) 2.700 4.186 ( 5.868 0.000 -8.545) 10.366 4.294 ( 0.843 0.000 -0.736) 1.119 4.424 ( -4.376 0.000 0.884) 4.464 4.508 ( 2.739 0.000 -1.925) 3.348 4.557 ( 2.655 0.000 -5.355) 5.977 4.681 ( -3.344 0.000 2.175) 3.989 4.752 ( -3.208 0.000 0.638) 3.270 4.838 ( -0.536 0.000 -0.130) 0.551 4.873 ( -1.820 0.000 0.719) 1.957 4.912 ( 3.762 0.000 -0.503) 3.795 5.140 ( 3.148 0.000 0.532) 3.192 5.218 ( 2.240 0.000 -4.922) 5.408 5.223 ( -0.747 0.000 -5.409) 5.461 5.361 ( 0.510 0.000 -3.240) 3.279 5.390 ( 0.180 0.000 4.422) 4.426 5.552 ( -0.033 0.000 1.117) 1.117 5.634 ( 0.149 0.000 -0.711) 0.726 5.739 ( 2.987 0.000 2.855) 4.132 5.748 ( -7.809 0.000 5.156) 9.358 5.924 ( -1.579 0.000 8.266) 8.416 5.964 ( -2.334 0.000 -0.138) 2.338 6.012 ( -0.012 0.000 2.158) 2.158 6.202 ( 0.362 0.000 0.691) 0.780 6.368 ( 0.105 0.000 0.940) 0.946 6.402 ( -4.358 0.000 0.002) 4.358 6.496 ( -8.663 0.000 0.370) 8.671 6.524 ( -4.966 0.000 -4.577) 6.753 6.580 ( 0.230 0.000 -4.094) 4.100 6.724 ( 5.941 0.000 0.872) 6.005 6.797 ( 5.794 0.000 0.472) 5.813 6.872 ( -3.619 0.000 -1.581) 3.950 6.889 ( -1.622 0.000 -1.166) 1.997 6.965 ( -2.803 0.000 2.311) 3.633 7.047 ( -5.579 0.000 2.795) 6.240 7.089 ( 2.631 0.000 -1.277) 2.924 7.213 ( 2.485 0.000 -2.584) 3.584 7.231 ( 1.981 0.000 -0.493) 2.041 7.246 ( -6.272 0.000 3.565) 7.214 7.468 ( -4.666 0.000 3.289) 5.709 7.622 ( -1.632 0.000 -2.188) 2.729 7.718 ( 0.394 0.000 2.916) 2.943 7.723 ( 5.424 0.000 -7.890) 9.575 7.824 ( 0.982 0.000 -0.943) 1.362 7.854 ( 4.819 0.000 0.344) 4.832 7.988 ( 4.190 0.000 1.612) 4.490 7.992 ( 1.943 0.000 1.592) 2.512 8.627 ( -2.530 0.000 -1.694) 3.045 8.671 ( -0.744 0.000 -2.234) 2.355 8.733 ( 1.999 0.000 -1.531) 2.518 8.736 ( -1.783 0.000 0.641) 1.895 11.672 ( -1.226 0.000 0.390) 1.287 11.682 ( -0.535 0.000 0.364) 0.647 11.738 ( 0.487 0.000 0.810) 0.946 11.743 ( -0.412 0.000 -0.106) 0.425 13.976 ( -1.523 0.000 0.780) 1.711 13.996 ( 0.406 0.000 0.987) 1.068 14.085 ( 6.233 0.000 -1.456) 6.400 14.097 ( 1.701 0.000 0.461) 1.762 15.440 ( -0.672 0.000 -0.689) 0.962 15.561 ( 1.015 0.000 3.329) 3.481 15.628 ( 0.354 0.000 -4.046) 4.061 16.214 ( -2.140 0.000 -3.552) 4.147 16.246 ( 1.059 0.000 1.398) 1.754 16.402 ( -0.096 0.000 -1.744) 1.746 16.662 ( -2.551 0.000 -0.892) 2.702 16.723 ( 1.094 0.000 -1.931) 2.220 ======================= Grid point 37 (15/75) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 16.067 0.000 9.607) 18.720 1.207 ( 17.457 0.000 14.615) 22.767 1.689 ( 12.443 0.000 7.838) 14.706 1.880 ( 2.629 0.000 3.092) 4.059 1.911 ( 2.261 0.000 -4.998) 5.486 1.911 ( 5.356 0.000 1.799) 5.650 1.952 ( -3.306 0.000 -5.745) 6.628 2.146 ( -4.665 0.000 -1.221) 4.822 2.146 ( 3.951 0.000 7.505) 8.481 2.271 ( -0.881 0.000 -4.050) 4.145 2.298 ( 1.621 0.000 4.560) 4.840 2.310 ( -1.468 0.000 -1.998) 2.479 2.362 ( 9.507 0.000 4.040) 10.329 2.565 ( -3.779 0.000 -2.240) 4.393 2.607 ( -5.025 0.000 -2.637) 5.675 2.616 ( -0.411 0.000 -6.145) 6.158 2.806 ( -5.803 0.000 -4.162) 7.141 2.921 ( -3.468 0.000 1.232) 3.680 3.195 ( 0.718 0.000 -1.910) 2.041 3.266 ( -1.978 0.000 2.331) 3.057 3.340 ( -2.428 0.000 -0.654) 2.514 3.429 ( -2.463 0.000 3.015) 3.893 3.455 ( -6.388 0.000 0.394) 6.400 3.569 ( -4.210 0.000 0.708) 4.269 3.596 ( -2.380 0.000 2.942) 3.784 3.648 ( -4.253 0.000 2.249) 4.811 3.694 ( 3.621 0.000 0.348) 3.637 3.897 ( 2.503 0.000 -0.380) 2.531 4.073 ( -1.017 0.000 3.731) 3.867 4.196 ( 2.115 0.000 -5.748) 6.125 4.261 ( -5.964 0.000 -0.690) 6.004 4.280 ( 5.186 0.000 -3.199) 6.094 4.361 ( 0.206 0.000 1.768) 1.780 4.575 ( -0.178 0.000 -5.372) 5.375 4.576 ( 4.041 0.000 -1.837) 4.439 4.599 ( -4.606 0.000 -0.482) 4.631 4.695 ( -2.698 0.000 0.384) 2.725 4.840 ( 0.465 0.000 -0.287) 0.547 4.850 ( -0.951 0.000 2.028) 2.239 4.984 ( 3.526 0.000 0.116) 3.528 5.182 ( 1.805 0.000 -2.310) 2.931 5.202 ( 0.083 0.000 -2.496) 2.498 5.260 ( 2.554 0.000 -2.373) 3.487 5.363 ( 1.057 0.000 -2.616) 2.821 5.436 ( 2.625 0.000 4.279) 5.020 5.547 ( -1.011 0.000 0.422) 1.096 5.614 ( -8.457 0.000 8.692) 12.127 5.654 ( 1.712 0.000 0.669) 1.838 5.809 ( 3.319 0.000 1.359) 3.587 5.883 ( -4.552 0.000 4.612) 6.480 5.942 ( -0.401 0.000 -2.338) 2.373 6.007 ( -1.292 0.000 0.466) 1.373 6.207 ( -0.533 0.000 1.702) 1.784 6.299 ( -6.159 0.000 0.476) 6.178 6.312 ( -2.652 0.000 -1.438) 3.016 6.431 ( -0.723 0.000 1.228) 1.425 6.446 ( -0.612 0.000 -5.467) 5.501 6.575 ( 1.012 0.000 -4.414) 4.529 6.761 ( -3.306 0.000 0.053) 3.306 6.829 ( -2.340 0.000 -3.551) 4.253 6.843 ( -0.383 0.000 1.665) 1.709 6.898 ( -0.739 0.000 5.013) 5.068 6.939 ( 1.447 0.000 1.851) 2.350 6.975 ( 0.924 0.000 2.376) 2.549 7.154 ( 4.144 0.000 -2.003) 4.602 7.186 ( -1.407 0.000 1.162) 1.825 7.269 ( 3.607 0.000 -1.170) 3.792 7.274 ( 2.236 0.000 -0.004) 2.236 7.431 ( -1.817 0.000 3.712) 4.133 7.588 ( -1.060 0.000 -1.771) 2.064 7.677 ( -3.353 0.000 -5.675) 6.592 7.709 ( -2.317 0.000 2.948) 3.749 7.850 ( 1.748 0.000 -0.156) 1.755 7.979 ( 4.609 0.000 -1.138) 4.747 8.025 ( 1.532 0.000 1.723) 2.306 8.060 ( 2.660 0.000 0.079) 2.661 8.559 ( -2.842 0.000 -1.689) 3.306 8.647 ( -0.744 0.000 -1.597) 1.762 8.699 ( -2.094 0.000 0.746) 2.223 8.764 ( 1.896 0.000 -2.555) 3.182 11.648 ( -1.377 0.000 0.840) 1.613 11.676 ( -0.232 0.000 0.321) 0.396 11.732 ( -0.645 0.000 -0.164) 0.665 11.743 ( -0.166 0.000 0.487) 0.515 13.954 ( -1.052 0.000 1.096) 1.519 14.025 ( 1.746 0.000 0.035) 1.746 14.130 ( 1.290 0.000 1.043) 1.659 14.196 ( 5.431 0.000 -1.643) 5.674 15.421 ( -0.886 0.000 -0.506) 1.021 15.597 ( 1.213 0.000 2.764) 3.018 15.628 ( 1.557 0.000 -5.472) 5.689 16.101 ( -7.411 0.000 2.314) 7.763 16.271 ( 0.905 0.000 0.973) 1.328 16.394 ( 0.140 0.000 -1.936) 1.941 16.606 ( -2.586 0.000 -0.606) 2.656 16.746 ( 1.768 0.000 -3.448) 3.875 ======================= Grid point 38 (16/75) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 6.107 0.000 4.012) 7.307 1.502 ( 2.734 0.000 10.848) 11.187 1.755 ( -1.210 0.000 -3.853) 4.038 1.850 ( 2.900 0.000 2.087) 3.573 1.877 ( -3.260 0.000 2.258) 3.966 2.005 ( 0.092 0.000 1.589) 1.592 2.034 ( 6.773 0.000 -2.725) 7.300 2.095 ( 2.672 0.000 -4.725) 5.428 2.191 ( 0.766 0.000 0.719) 1.051 2.271 ( -1.413 0.000 1.039) 1.754 2.321 ( 5.821 0.000 0.047) 5.821 2.328 ( 0.489 0.000 3.871) 3.902 2.460 ( -6.825 0.000 2.231) 7.180 2.568 ( 0.909 0.000 4.185) 4.283 2.590 ( 1.918 0.000 -7.713) 7.948 2.729 ( 1.521 0.000 -7.644) 7.793 2.757 ( 18.653 0.000 8.400) 20.457 2.832 ( -5.495 0.000 -0.687) 5.538 3.109 ( -16.449 0.000 -1.683) 16.535 3.185 ( -1.939 0.000 -0.551) 2.016 3.235 ( -1.076 0.000 0.960) 1.442 3.322 ( -4.703 0.000 -1.086) 4.827 3.473 ( 1.234 0.000 1.307) 1.798 3.515 ( -5.610 0.000 -2.591) 6.180 3.520 ( -1.633 0.000 -1.055) 1.944 3.655 ( 2.026 0.000 8.872) 9.100 3.747 ( 1.572 0.000 -0.227) 1.588 3.928 ( 0.250 0.000 0.062) 0.258 4.088 ( 2.685 0.000 1.750) 3.205 4.119 ( -7.277 0.000 -1.208) 7.377 4.230 ( 3.498 0.000 -5.060) 6.152 4.346 ( 2.710 0.000 -2.369) 3.600 4.393 ( 0.787 0.000 1.359) 1.570 4.492 ( -3.718 0.000 -0.966) 3.841 4.561 ( 0.179 0.000 -5.317) 5.320 4.621 ( 1.396 0.000 -2.538) 2.897 4.672 ( -0.023 0.000 1.880) 1.880 4.847 ( 0.395 0.000 -0.203) 0.444 4.848 ( -0.399 0.000 2.922) 2.949 5.031 ( 0.977 0.000 0.983) 1.386 5.197 ( 0.091 0.000 -1.849) 1.851 5.202 ( 1.270 0.000 -2.302) 2.629 5.280 ( 0.453 0.000 -1.374) 1.447 5.387 ( 2.153 0.000 -1.129) 2.431 5.475 ( -2.991 0.000 5.007) 5.832 5.521 ( -1.496 0.000 0.411) 1.551 5.528 ( -1.935 0.000 6.934) 7.199 5.681 ( 0.120 0.000 0.390) 0.408 5.809 ( -4.049 0.000 2.484) 4.750 5.865 ( 2.119 0.000 -1.658) 2.690 5.913 ( -0.804 0.000 -3.276) 3.373 5.987 ( -0.707 0.000 -0.635) 0.951 6.203 ( -2.998 0.000 -0.173) 3.003 6.203 ( -0.066 0.000 0.734) 0.737 6.292 ( -0.038 0.000 0.717) 0.718 6.427 ( -0.073 0.000 -0.328) 0.336 6.464 ( 4.334 0.000 -4.245) 6.066 6.584 ( 0.957 0.000 -2.498) 2.675 6.710 ( -1.224 0.000 -0.340) 1.271 6.771 ( -1.820 0.000 -3.051) 3.552 6.805 ( -3.121 0.000 5.615) 6.424 6.873 ( -2.249 0.000 4.899) 5.390 7.001 ( 2.159 0.000 0.870) 2.328 7.028 ( 1.323 0.000 -0.610) 1.457 7.191 ( 1.650 0.000 2.033) 2.618 7.219 ( 3.223 0.000 -1.075) 3.397 7.299 ( 0.241 0.000 -0.533) 0.585 7.324 ( 1.478 0.000 -0.684) 1.628 7.408 ( -2.158 0.000 3.628) 4.222 7.570 ( -0.008 0.000 -2.047) 2.047 7.620 ( 0.496 0.000 -2.765) 2.809 7.672 ( -2.304 0.000 2.178) 3.171 7.874 ( 0.540 0.000 0.170) 0.566 8.001 ( -0.378 0.000 -1.095) 1.159 8.061 ( 0.453 0.000 0.200) 0.496 8.085 ( 0.219 0.000 -1.162) 1.182 8.529 ( 0.498 0.000 -1.185) 1.286 8.636 ( -0.066 0.000 -0.490) 0.495 8.669 ( -1.087 0.000 0.098) 1.092 8.790 ( 1.837 0.000 -1.643) 2.465 11.631 ( -0.674 0.000 1.113) 1.301 11.677 ( 0.176 0.000 0.568) 0.594 11.721 ( -0.406 0.000 -0.290) 0.499 11.737 ( -0.498 0.000 -0.063) 0.502 13.944 ( -0.508 0.000 1.369) 1.460 14.051 ( 0.904 0.000 -0.034) 0.904 14.151 ( 0.381 0.000 1.450) 1.500 14.277 ( 3.592 0.000 0.422) 3.616 15.405 ( -0.573 0.000 -0.789) 0.975 15.622 ( 0.348 0.000 2.686) 2.708 15.643 ( 2.397 0.000 -7.209) 7.598 15.976 ( -6.474 0.000 2.696) 7.013 16.279 ( -0.371 0.000 -0.251) 0.448 16.393 ( 0.480 0.000 -2.061) 2.117 16.575 ( -0.355 0.000 0.570) 0.671 16.763 ( 1.330 0.000 -2.771) 3.074 ======================= Grid point 39 (17/75) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -17.384 0.000 5.204) 18.146 1.384 ( -13.152 0.000 1.646) 13.254 1.829 ( 2.567 0.000 -0.647) 2.647 1.861 ( -2.033 0.000 1.791) 2.709 1.930 ( -1.823 0.000 -2.882) 3.410 1.960 ( 6.506 0.000 5.745) 8.680 2.115 ( -0.177 0.000 2.083) 2.091 2.160 ( 1.411 0.000 2.280) 2.681 2.208 ( -0.816 0.000 -0.408) 0.913 2.290 ( 4.782 0.000 3.374) 5.852 2.303 ( -3.671 0.000 1.344) 3.909 2.339 ( 0.584 0.000 0.635) 0.863 2.552 ( 10.573 0.000 2.161) 10.791 2.599 ( 0.181 0.000 -8.891) 8.893 2.618 ( -21.291 0.000 -1.377) 21.336 2.638 ( 3.890 0.000 6.104) 7.238 2.747 ( -3.652 0.000 -0.897) 3.760 2.801 ( 7.269 0.000 -1.518) 7.426 3.111 ( 6.056 0.000 2.194) 6.441 3.134 ( -2.331 0.000 -2.254) 3.242 3.288 ( 1.442 0.000 -1.961) 2.434 3.288 ( 7.511 0.000 -0.736) 7.547 3.393 ( -4.887 0.000 -3.135) 5.806 3.459 ( -2.635 0.000 0.627) 2.709 3.492 ( -0.659 0.000 -2.111) 2.211 3.740 ( 2.213 0.000 9.690) 9.939 3.752 ( -0.737 0.000 -0.453) 0.865 3.919 ( -1.178 0.000 -0.954) 1.516 4.004 ( -3.638 0.000 -0.272) 3.648 4.174 ( 5.131 0.000 0.140) 5.133 4.273 ( 2.503 0.000 -3.741) 4.501 4.373 ( 1.296 0.000 -2.618) 2.921 4.382 ( -2.110 0.000 0.699) 2.223 4.440 ( -1.402 0.000 -2.535) 2.897 4.608 ( 6.971 0.000 -3.093) 7.626 4.613 ( -0.827 0.000 -2.567) 2.697 4.701 ( 1.772 0.000 3.002) 3.486 4.853 ( 0.423 0.000 -1.237) 1.307 4.861 ( 0.976 0.000 2.822) 2.986 5.026 ( -1.879 0.000 1.451) 2.374 5.196 ( 0.866 0.000 -2.684) 2.820 5.210 ( -0.043 0.000 -0.898) 0.899 5.280 ( 0.592 0.000 -0.841) 1.028 5.414 ( -3.827 0.000 3.608) 5.260 5.422 ( 1.317 0.000 0.091) 1.320 5.513 ( 0.662 0.000 1.668) 1.794 5.520 ( -2.754 0.000 5.939) 6.546 5.657 ( -1.829 0.000 -1.255) 2.218 5.735 ( -4.292 0.000 -0.231) 4.298 5.880 ( -0.226 0.000 -0.898) 0.926 5.912 ( 1.470 0.000 -2.241) 2.680 5.967 ( -0.636 0.000 -2.541) 2.619 6.205 ( 3.025 0.000 0.040) 3.025 6.208 ( 0.132 0.000 0.532) 0.548 6.308 ( 1.090 0.000 2.488) 2.716 6.416 ( -0.802 0.000 -1.629) 1.816 6.550 ( 4.412 0.000 -4.394) 6.227 6.587 ( 1.161 0.000 0.061) 1.162 6.714 ( 1.175 0.000 0.786) 1.413 6.750 ( 0.899 0.000 -1.500) 1.748 6.809 ( 1.586 0.000 6.268) 6.466 6.849 ( -1.880 0.000 0.160) 1.887 7.000 ( -2.491 0.000 0.782) 2.611 7.007 ( -2.404 0.000 -0.391) 2.435 7.255 ( 1.092 0.000 3.652) 3.812 7.261 ( 0.921 0.000 0.429) 1.016 7.280 ( -1.667 0.000 -0.965) 1.926 7.305 ( 0.005 0.000 -0.991) 0.991 7.384 ( -1.629 0.000 2.392) 2.894 7.574 ( 1.202 0.000 -2.784) 3.033 7.645 ( -1.130 0.000 1.409) 1.807 7.689 ( 6.046 0.000 0.885) 6.110 7.871 ( -0.721 0.000 0.243) 0.761 7.975 ( -1.738 0.000 -1.954) 2.616 8.036 ( -2.451 0.000 -1.140) 2.704 8.063 ( -1.873 0.000 -2.069) 2.791 8.564 ( 2.953 0.000 0.514) 2.998 8.637 ( 0.517 0.000 -0.620) 0.807 8.666 ( 0.683 0.000 -0.062) 0.686 8.822 ( 1.941 0.000 -0.961) 2.166 11.633 ( 0.422 0.000 1.160) 1.234 11.686 ( 0.368 0.000 1.006) 1.072 11.716 ( 0.154 0.000 -0.466) 0.491 11.726 ( -0.502 0.000 -0.565) 0.756 13.944 ( -0.025 0.000 1.392) 1.393 14.056 ( -0.439 0.000 -0.051) 0.442 14.155 ( -0.589 0.000 1.455) 1.570 14.345 ( 3.058 0.000 3.368) 4.549 15.394 ( -0.105 0.000 -0.998) 1.003 15.629 ( -0.792 0.000 2.758) 2.869 15.654 ( 1.791 0.000 -9.331) 9.501 15.880 ( -4.608 0.000 1.631) 4.888 16.258 ( -1.339 0.000 -0.894) 1.611 16.396 ( 0.678 0.000 -1.976) 2.089 16.596 ( 1.931 0.000 1.322) 2.340 16.779 ( 1.514 0.000 -2.329) 2.778 ======================= Grid point 40 (18/75) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -20.737 0.000 10.183) 23.102 1.037 ( -22.637 0.000 3.492) 22.904 1.735 ( -24.271 0.000 10.938) 26.622 1.748 ( -6.062 0.000 -1.030) 6.149 1.945 ( -6.722 0.000 0.846) 6.775 1.955 ( 0.865 0.000 1.258) 1.526 2.085 ( 1.791 0.000 1.191) 2.151 2.142 ( -5.175 0.000 1.467) 5.379 2.192 ( 1.385 0.000 4.433) 4.644 2.245 ( -3.040 0.000 0.791) 3.142 2.306 ( -5.186 0.000 1.725) 5.466 2.394 ( 4.418 0.000 0.472) 4.443 2.442 ( 7.875 0.000 -1.206) 7.966 2.631 ( 4.681 0.000 -7.476) 8.820 2.697 ( 3.869 0.000 -1.483) 4.144 2.759 ( 4.743 0.000 -0.945) 4.837 2.768 ( 7.068 0.000 5.258) 8.809 2.945 ( 3.344 0.000 4.023) 5.232 3.094 ( 2.604 0.000 -5.742) 6.305 3.164 ( 0.771 0.000 0.981) 1.248 3.258 ( -4.031 0.000 -4.745) 6.226 3.357 ( 4.927 0.000 -1.204) 5.072 3.361 ( -3.818 0.000 -4.004) 5.533 3.487 ( 2.254 0.000 -2.545) 3.400 3.514 ( 7.605 0.000 4.043) 8.613 3.715 ( -3.401 0.000 0.332) 3.417 3.796 ( -0.178 0.000 8.954) 8.956 3.872 ( -1.613 0.000 -2.836) 3.262 3.980 ( -0.860 0.000 0.964) 1.292 4.266 ( 4.826 0.000 -1.528) 5.062 4.287 ( 0.541 0.000 -5.970) 5.995 4.345 ( -3.048 0.000 -0.581) 3.103 4.346 ( -1.856 0.000 0.707) 1.986 4.456 ( 4.387 0.000 -1.964) 4.806 4.583 ( -1.502 0.000 -1.056) 1.836 4.715 ( 2.235 0.000 -1.422) 2.649 4.791 ( 7.346 0.000 2.293) 7.696 4.847 ( -0.340 0.000 -2.540) 2.563 4.920 ( 4.766 0.000 0.874) 4.846 4.981 ( -3.164 0.000 1.687) 3.586 5.191 ( -1.117 0.000 -1.298) 1.713 5.214 ( 2.261 0.000 -3.861) 4.474 5.296 ( -0.546 0.000 0.872) 1.029 5.382 ( 0.966 0.000 4.693) 4.791 5.447 ( 1.422 0.000 0.282) 1.450 5.477 ( -3.717 0.000 6.423) 7.421 5.531 ( -0.678 0.000 1.864) 1.984 5.636 ( 0.610 0.000 0.455) 0.761 5.665 ( -1.702 0.000 -3.119) 3.553 5.842 ( -3.574 0.000 1.181) 3.764 5.914 ( -0.751 0.000 -1.085) 1.320 5.964 ( 1.257 0.000 -3.225) 3.461 6.210 ( -0.234 0.000 1.153) 1.176 6.292 ( 5.291 0.000 0.086) 5.292 6.339 ( 0.495 0.000 1.210) 1.307 6.401 ( 0.820 0.000 -0.626) 1.032 6.558 ( 0.062 0.000 -2.143) 2.143 6.645 ( 2.604 0.000 -1.239) 2.884 6.759 ( 2.634 0.000 1.656) 3.111 6.773 ( -4.941 0.000 -4.873) 6.939 6.801 ( 4.312 0.000 -0.594) 4.353 6.895 ( 4.190 0.000 4.983) 6.511 6.932 ( -3.999 0.000 1.153) 4.162 6.973 ( -1.196 0.000 2.657) 2.914 7.188 ( -4.787 0.000 -1.531) 5.025 7.235 ( -1.853 0.000 -2.014) 2.736 7.250 ( -3.313 0.000 2.493) 4.146 7.347 ( -2.018 0.000 0.427) 2.063 7.416 ( 6.077 0.000 5.299) 8.063 7.584 ( 1.355 0.000 -3.658) 3.901 7.646 ( 0.805 0.000 0.495) 0.945 7.811 ( 5.480 0.000 1.587) 5.706 7.860 ( -0.381 0.000 1.037) 1.105 7.914 ( -3.591 0.000 -2.631) 4.452 7.986 ( -1.637 0.000 -1.219) 2.041 7.996 ( -4.164 0.000 -2.715) 4.971 8.631 ( 3.260 0.000 1.567) 3.617 8.659 ( 2.178 0.000 -1.482) 2.635 8.685 ( 1.258 0.000 0.203) 1.274 8.849 ( 1.195 0.000 -1.824) 2.181 11.654 ( 1.280 0.000 1.009) 1.630 11.695 ( 0.059 0.000 1.176) 1.178 11.715 ( -0.326 0.000 -0.763) 0.830 11.724 ( 0.765 0.000 -0.422) 0.874 13.954 ( 0.604 0.000 1.154) 1.303 14.035 ( -1.609 0.000 -0.101) 1.612 14.139 ( -1.603 0.000 1.050) 1.916 14.434 ( 4.766 0.000 6.794) 8.299 15.396 ( 0.675 0.000 -0.970) 1.182 15.613 ( -1.977 0.000 2.928) 3.533 15.626 ( -0.840 0.000 -11.586) 11.617 15.805 ( -3.909 0.000 -0.613) 3.956 16.231 ( -1.038 0.000 -0.438) 1.127 16.403 ( 0.747 0.000 -1.734) 1.889 16.646 ( 2.517 0.000 1.021) 2.716 16.806 ( 2.301 0.000 -2.241) 3.212 ======================= Grid point 41 (19/75) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -22.383 0.000 11.767) 25.288 0.649 ( -18.999 0.000 17.975) 26.155 1.149 ( -35.510 0.000 28.274) 45.391 1.668 ( -2.227 0.000 1.585) 2.734 1.920 ( 0.556 0.000 -0.927) 1.081 1.954 ( -2.068 0.000 3.847) 4.367 2.039 ( -5.875 0.000 -0.802) 5.929 2.108 ( 1.064 0.000 3.083) 3.261 2.176 ( -2.087 0.000 2.059) 2.931 2.262 ( 1.950 0.000 0.998) 2.190 2.272 ( -1.152 0.000 2.365) 2.630 2.481 ( 4.108 0.000 -1.436) 4.352 2.506 ( 2.376 0.000 -10.574) 10.838 2.721 ( -0.201 0.000 -1.580) 1.592 2.744 ( 5.759 0.000 1.934) 6.075 2.866 ( -0.470 0.000 -0.416) 0.628 2.877 ( 6.426 0.000 -0.738) 6.468 2.959 ( 3.471 0.000 -1.653) 3.845 3.150 ( -1.087 0.000 -2.616) 2.833 3.171 ( 2.547 0.000 -1.956) 3.211 3.220 ( 1.109 0.000 2.433) 2.674 3.278 ( -2.309 0.000 -0.694) 2.411 3.420 ( 2.826 0.000 1.749) 3.324 3.588 ( 4.182 0.000 0.390) 4.200 3.636 ( -1.618 0.000 -0.162) 1.626 3.652 ( 5.186 0.000 3.426) 6.216 3.797 ( -2.997 0.000 6.479) 7.138 3.865 ( 2.275 0.000 -2.568) 3.431 3.945 ( -2.786 0.000 1.279) 3.066 4.232 ( -4.107 0.000 -2.632) 4.878 4.270 ( -2.819 0.000 -6.486) 7.072 4.320 ( -0.500 0.000 -0.054) 0.503 4.373 ( 4.793 0.000 -0.608) 4.831 4.548 ( 4.972 0.000 -1.843) 5.303 4.548 ( -2.050 0.000 0.039) 2.050 4.725 ( -0.352 0.000 -0.363) 0.506 4.833 ( 0.291 0.000 -2.354) 2.372 4.887 ( 1.928 0.000 0.859) 2.111 4.926 ( -3.307 0.000 1.766) 3.749 5.002 ( 1.286 0.000 -6.822) 6.943 5.153 ( -3.231 0.000 -3.074) 4.459 5.243 ( 2.513 0.000 -5.744) 6.269 5.252 ( -2.244 0.000 -1.962) 2.981 5.425 ( -2.908 0.000 4.771) 5.588 5.435 ( -2.217 0.000 -2.857) 3.616 5.554 ( 1.411 0.000 2.991) 3.307 5.615 ( 0.574 0.000 -3.635) 3.680 5.625 ( 21.428 0.000 19.075) 28.688 5.690 ( 0.558 0.000 1.483) 1.585 5.793 ( -0.699 0.000 5.691) 5.734 5.910 ( 1.274 0.000 3.626) 3.844 5.961 ( -0.365 0.000 -2.563) 2.589 6.205 ( -0.648 0.000 0.561) 0.857 6.324 ( -2.344 0.000 -1.846) 2.983 6.389 ( 4.868 0.000 -0.439) 4.888 6.463 ( 5.356 0.000 2.357) 5.851 6.552 ( 0.322 0.000 -2.816) 2.834 6.647 ( -4.483 0.000 -1.661) 4.781 6.664 ( -0.243 0.000 -1.413) 1.434 6.763 ( -3.792 0.000 2.924) 4.788 6.895 ( 4.503 0.000 0.151) 4.506 6.904 ( 1.115 0.000 0.050) 1.116 6.973 ( -0.327 0.000 1.926) 1.954 6.976 ( 1.774 0.000 3.682) 4.088 7.091 ( -4.062 0.000 -2.341) 4.688 7.164 ( -5.647 0.000 1.912) 5.961 7.205 ( -0.187 0.000 -2.004) 2.012 7.293 ( -3.498 0.000 0.109) 3.499 7.533 ( 2.889 0.000 1.992) 3.509 7.607 ( 2.089 0.000 -2.546) 3.293 7.676 ( 2.579 0.000 -0.792) 2.698 7.840 ( -1.028 0.000 0.725) 1.258 7.862 ( -1.286 0.000 1.637) 2.081 7.895 ( 1.321 0.000 -1.474) 1.980 7.900 ( -3.163 0.000 -1.966) 3.724 7.977 ( 0.830 0.000 -0.882) 1.211 8.681 ( 0.867 0.000 0.313) 0.921 8.686 ( 0.960 0.000 -1.681) 1.936 8.721 ( 2.296 0.000 -0.056) 2.297 8.835 ( -2.030 0.000 -5.863) 6.204 11.684 ( 1.264 0.000 0.760) 1.475 11.697 ( -0.293 0.000 0.938) 0.983 11.707 ( -0.221 0.000 -0.564) 0.605 11.738 ( 0.719 0.000 -0.194) 0.745 13.976 ( 1.148 0.000 0.830) 1.417 14.002 ( -1.563 0.000 0.048) 1.564 14.104 ( -2.113 0.000 0.463) 2.163 14.552 ( 1.573 0.000 -2.897) 3.296 15.414 ( 1.553 0.000 -0.914) 1.802 15.542 ( -0.893 0.000 -4.979) 5.058 15.579 ( -2.637 0.000 3.325) 4.244 15.726 ( -3.368 0.000 0.839) 3.471 16.219 ( -0.220 0.000 0.375) 0.435 16.409 ( 0.457 0.000 -1.633) 1.696 16.689 ( 1.473 0.000 0.276) 1.498 16.842 ( 1.775 0.000 -3.292) 3.740 ======================= Grid point 42 (20/75) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -7.311 22.135 13.119) 26.749 0.785 ( 0.739 18.460 20.329) 27.470 1.265 ( 0.954 33.223 26.534) 42.530 1.483 ( 0.131 -14.572 9.187) 17.226 1.630 ( -3.135 -18.503 4.427) 19.282 2.000 ( -2.164 2.585 -4.335) 5.492 2.051 ( 1.267 4.407 -3.255) 5.624 2.172 ( 0.084 1.798 1.090) 2.105 2.193 ( 0.355 1.609 -1.962) 2.562 2.273 ( -2.289 3.085 1.377) 4.081 2.338 ( 0.142 3.775 2.661) 4.621 2.443 ( 0.930 -5.789 -10.517) 12.041 2.569 ( -2.634 4.684 -2.501) 5.927 2.664 ( -2.622 -4.858 -3.170) 6.366 2.698 ( -0.066 -4.002 1.816) 4.396 2.821 ( -1.344 -3.189 -2.563) 4.306 2.915 ( -3.870 -5.371 -0.963) 6.690 3.023 ( 2.619 1.650 1.885) 3.624 3.058 ( 2.843 -5.763 0.580) 6.453 3.168 ( -0.811 -2.437 0.120) 2.571 3.296 ( 4.136 -1.934 3.748) 5.907 3.339 ( 4.119 4.299 3.211) 6.764 3.424 ( 0.246 1.772 0.396) 1.832 3.546 ( 0.306 -5.910 0.744) 5.965 3.568 ( 3.259 -2.605 -0.250) 4.180 3.691 ( 2.793 -1.770 1.593) 3.670 3.811 ( -2.031 -4.583 1.092) 5.130 3.824 ( -0.684 -6.870 0.420) 6.917 4.041 ( 0.770 5.313 -1.577) 5.595 4.123 ( -1.229 -1.010 -1.834) 2.427 4.178 ( -2.062 0.407 0.285) 2.121 4.266 ( -1.384 -2.495 -1.977) 3.471 4.470 ( 2.344 1.784 -1.430) 3.275 4.511 ( -0.951 0.151 -1.161) 1.508 4.642 ( -0.082 4.586 -2.295) 5.128 4.712 ( -0.168 0.664 1.261) 1.435 4.805 ( -1.701 0.509 1.840) 2.557 4.884 ( -0.335 -1.198 -0.243) 1.268 4.899 ( -1.399 1.787 -1.626) 2.792 4.924 ( -0.710 1.238 -2.641) 3.002 5.127 ( -0.475 2.141 -0.739) 2.314 5.206 ( 0.535 -1.140 -4.266) 4.448 5.258 ( 0.756 1.346 -5.182) 5.407 5.359 ( -1.209 -1.213 -1.177) 2.078 5.431 ( -1.688 2.357 3.731) 4.725 5.590 ( -0.054 -3.981 4.977) 6.373 5.616 ( 0.901 2.491 1.831) 3.220 5.693 ( 1.469 2.977 1.401) 3.603 5.820 ( -0.089 -4.108 3.794) 5.593 5.856 ( -3.875 -3.306 8.572) 9.971 5.881 ( 4.668 -2.807 2.204) 5.876 5.965 ( 2.396 -1.755 1.719) 3.431 6.213 ( -0.070 1.574 0.372) 1.619 6.280 ( 2.208 -0.044 1.884) 2.903 6.468 ( 0.535 2.017 -0.979) 2.305 6.518 ( -0.775 -1.087 0.915) 1.619 6.587 ( 2.521 -1.593 1.010) 3.148 6.589 ( -1.345 -2.067 0.010) 2.466 6.638 ( -1.087 -0.748 -1.280) 1.838 6.680 ( -1.903 -2.613 -0.993) 3.382 6.891 ( -5.729 0.665 -2.579) 6.318 6.981 ( 0.621 -1.050 0.595) 1.357 7.009 ( -0.787 1.407 -1.472) 2.183 7.039 ( 2.834 0.757 -0.180) 2.938 7.093 ( -0.522 1.130 0.746) 1.451 7.141 ( 1.441 -1.062 0.820) 1.969 7.155 ( 1.474 -4.352 0.155) 4.598 7.268 ( 3.080 2.244 -1.282) 4.021 7.431 ( -6.846 -6.009 4.854) 10.321 7.548 ( 1.475 -6.027 -1.186) 6.317 7.619 ( -2.376 5.898 -1.298) 6.490 7.734 ( 0.127 0.713 -0.798) 1.077 7.919 ( 0.572 6.248 0.043) 6.274 7.963 ( 1.628 3.786 1.313) 4.325 8.038 ( -0.139 9.043 -0.653) 9.068 8.172 ( 2.631 1.292 -3.787) 4.789 8.474 ( -0.027 -9.549 0.085) 9.549 8.592 ( -1.404 -6.967 -1.836) 7.341 8.934 ( 0.930 9.575 -2.700) 9.992 9.043 ( -0.856 11.410 -15.678) 19.409 11.691 ( -0.654 0.230 0.188) 0.718 11.697 ( -0.422 0.187 0.362) 0.587 11.722 ( 0.947 0.366 0.670) 1.216 11.742 ( 0.307 -0.425 0.052) 0.527 13.996 ( 0.645 0.485 0.666) 1.046 14.008 ( 2.482 0.547 -0.208) 2.550 14.084 ( -1.329 0.670 -0.108) 1.492 14.132 ( -12.442 -1.956 -0.023) 12.595 15.467 ( 1.057 1.998 -1.114) 2.520 15.531 ( 0.161 -1.426 2.657) 3.020 15.643 ( -0.050 -0.076 -1.597) 1.599 15.709 ( 7.202 -7.623 7.614) 12.960 16.431 ( 0.330 2.780 -2.480) 3.740 16.510 ( 5.870 4.990 -9.415) 12.165 16.713 ( 0.179 2.251 -1.881) 2.939 16.780 ( -3.805 -0.721 -1.589) 4.186 ======================= Grid point 43 (21/75) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 12.546 11.425 12.564) 21.114 0.984 ( 10.741 11.764 19.872) 25.469 1.543 ( 8.582 0.185 12.083) 14.821 1.580 ( 6.220 -2.829 8.877) 11.202 1.628 ( 6.371 -5.940 8.236) 11.988 1.976 ( 1.483 4.700 -4.199) 6.474 2.053 ( -0.404 3.451 -2.064) 4.041 2.160 ( -0.880 -0.265 -4.476) 4.569 2.179 ( -0.757 -1.092 0.087) 1.331 2.255 ( -0.154 3.841 2.670) 4.680 2.332 ( -1.745 6.782 0.855) 7.055 2.413 ( 0.390 -1.657 -9.893) 10.038 2.505 ( -2.478 6.294 -0.645) 6.795 2.593 ( -1.726 -5.029 -5.651) 7.759 2.665 ( -4.857 -1.489 -1.549) 5.311 2.717 ( -5.838 0.617 -2.358) 6.327 2.865 ( -2.103 -4.980 1.108) 5.518 3.029 ( -1.016 4.854 0.052) 4.959 3.122 ( 2.383 -7.700 0.578) 8.081 3.204 ( 2.409 -4.077 4.119) 6.276 3.341 ( 0.143 0.853 3.398) 3.507 3.418 ( -1.193 -1.298 1.572) 2.362 3.428 ( 2.145 -1.855 1.682) 3.297 3.539 ( -0.784 -4.688 1.795) 5.080 3.575 ( -2.790 -2.413 0.957) 3.811 3.682 ( -3.843 -2.062 2.634) 5.095 3.775 ( -1.569 -1.114 -0.954) 2.148 3.845 ( 2.587 -6.449 1.200) 7.051 3.986 ( -3.234 0.936 0.593) 3.419 4.137 ( -0.505 -4.186 -1.303) 4.413 4.231 ( 5.970 1.026 -5.092) 7.913 4.249 ( 1.632 -2.108 -3.223) 4.183 4.462 ( -3.033 2.904 0.610) 4.243 4.521 ( 2.338 0.339 -3.627) 4.329 4.623 ( -0.348 5.409 -1.822) 5.719 4.698 ( -2.372 0.918 1.322) 2.866 4.777 ( -1.007 2.013 0.885) 2.419 4.861 ( -1.772 -0.278 -0.572) 1.883 4.884 ( -0.052 2.837 -0.458) 2.874 4.934 ( 2.320 1.046 -1.554) 2.982 5.141 ( 1.801 0.159 -0.749) 1.957 5.189 ( -0.534 -2.036 -3.691) 4.249 5.265 ( 2.409 3.185 -4.472) 5.996 5.351 ( 0.746 -0.529 -2.645) 2.798 5.420 ( -1.064 2.649 4.991) 5.750 5.587 ( -0.539 0.667 1.822) 2.013 5.643 ( 0.731 0.825 1.633) 1.970 5.690 ( -5.762 -2.623 4.966) 8.047 5.758 ( -0.694 0.526 3.755) 3.855 5.880 ( -0.706 -3.520 6.884) 7.764 5.923 ( 0.274 -2.274 0.806) 2.428 5.993 ( 0.043 -1.855 1.292) 2.262 6.214 ( 0.107 1.681 0.933) 1.925 6.329 ( -0.729 -2.907 0.806) 3.103 6.428 ( -3.378 1.544 0.992) 3.844 6.446 ( -4.219 -1.962 1.155) 4.794 6.519 ( -3.405 0.000 -4.257) 5.451 6.606 ( -0.311 0.856 -3.137) 3.267 6.683 ( 1.575 -4.862 0.820) 5.176 6.711 ( 4.869 -1.534 0.123) 5.106 6.840 ( 2.398 0.583 0.007) 2.468 6.930 ( -3.107 -1.433 -3.290) 4.747 6.959 ( -4.075 1.060 1.741) 4.557 7.045 ( -2.494 0.085 0.261) 2.509 7.084 ( -0.579 -0.523 -0.042) 0.782 7.152 ( 1.574 -4.836 -1.523) 5.309 7.244 ( 4.104 0.342 2.349) 4.741 7.275 ( -2.486 0.632 2.120) 3.328 7.402 ( 2.217 0.168 0.345) 2.250 7.579 ( 1.034 -5.012 -0.669) 5.161 7.623 ( 3.247 1.411 -3.300) 4.840 7.723 ( -1.083 -0.284 -0.461) 1.211 7.942 ( 1.620 6.704 0.682) 6.930 7.989 ( 0.921 6.695 1.179) 6.860 8.032 ( 0.005 5.576 -0.796) 5.632 8.190 ( 0.496 4.879 -1.552) 5.144 8.489 ( 1.227 -9.151 0.461) 9.244 8.553 ( -1.721 -6.700 -2.233) 7.269 8.846 ( -7.207 10.752 -3.140) 13.319 8.944 ( -2.965 8.221 -6.253) 10.746 11.673 ( -1.219 0.223 0.466) 1.324 11.685 ( -0.860 0.013 0.357) 0.931 11.737 ( 0.274 0.045 0.556) 0.622 11.743 ( -0.128 -0.060 0.215) 0.258 13.996 ( -3.186 1.100 0.877) 3.483 13.999 ( 0.003 0.303 0.752) 0.810 14.091 ( 5.842 0.574 -1.939) 6.182 14.101 ( 2.397 0.258 -0.284) 2.427 15.462 ( -0.810 2.015 -0.731) 2.291 15.552 ( 1.111 -1.191 0.816) 1.822 15.635 ( 0.607 1.196 -0.923) 1.628 15.872 ( 4.720 -13.533 5.260) 15.267 16.419 ( -0.480 3.053 -2.781) 4.158 16.527 ( -1.044 5.388 -7.547) 9.331 16.633 ( -5.229 0.485 1.934) 5.596 16.737 ( -0.405 0.058 -2.512) 2.545 ======================= Grid point 44 (22/75) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 18.219 2.147 8.978) 20.425 1.292 ( 13.298 7.040 15.476) 21.585 1.659 ( 6.872 -15.456 1.819) 17.013 1.712 ( 6.230 -7.380 5.931) 11.333 1.844 ( 4.572 3.388 1.256) 5.827 1.989 ( -2.656 3.010 -0.415) 4.036 2.018 ( 0.520 1.021 -4.446) 4.591 2.152 ( 1.161 5.184 1.109) 5.427 2.170 ( -0.443 -2.196 -2.316) 3.222 2.261 ( 0.713 6.636 -1.427) 6.825 2.302 ( -2.668 1.741 -1.100) 3.370 2.389 ( -0.431 1.103 -3.224) 3.435 2.491 ( 0.458 6.273 0.078) 6.290 2.542 ( -5.162 -3.207 -1.863) 6.356 2.616 ( 8.765 5.520 0.019) 10.358 2.637 ( -1.827 1.376 -1.775) 2.896 2.808 ( -3.827 0.494 -1.225) 4.049 2.993 ( -3.364 5.217 0.809) 6.260 3.137 ( -0.058 -4.486 -0.009) 4.486 3.252 ( 0.331 -3.069 2.920) 4.249 3.352 ( -2.211 0.954 2.133) 3.217 3.368 ( -4.236 -5.222 1.350) 6.859 3.425 ( -1.150 -5.490 0.122) 5.610 3.487 ( -5.247 -2.260 1.347) 5.870 3.568 ( 1.845 -1.003 3.747) 4.295 3.612 ( -4.183 0.203 2.611) 4.935 3.744 ( -0.769 -0.120 -2.312) 2.440 3.908 ( 2.883 -2.218 1.120) 3.805 3.960 ( -0.307 -4.686 3.263) 5.719 4.083 ( -4.151 -9.407 -1.044) 10.335 4.243 ( 1.447 2.155 -5.583) 6.157 4.327 ( 2.164 -0.576 -4.701) 5.207 4.413 ( -0.469 2.759 -1.049) 2.989 4.514 ( -1.501 -0.477 -2.195) 2.702 4.623 ( -0.138 4.290 -1.148) 4.443 4.653 ( -1.592 1.617 0.980) 2.472 4.771 ( -0.086 3.507 -0.690) 3.575 4.816 ( -2.280 -0.182 -0.679) 2.386 4.894 ( 0.979 2.642 0.131) 2.820 4.979 ( 2.375 -0.791 -0.186) 2.510 5.168 ( 0.898 -1.405 -1.041) 1.965 5.178 ( 0.932 -0.849 -2.168) 2.508 5.301 ( 2.265 2.725 -3.130) 4.728 5.360 ( 1.137 -0.371 -1.796) 2.158 5.434 ( 0.531 0.772 4.952) 5.039 5.565 ( -5.678 -3.769 7.906) 10.438 5.592 ( -2.204 2.638 0.572) 3.485 5.663 ( 0.659 0.543 0.781) 1.157 5.803 ( 2.939 -0.149 1.375) 3.248 5.859 ( -3.195 -1.839 4.288) 5.655 5.924 ( -0.336 -1.170 -1.075) 1.624 5.984 ( -0.850 -2.206 0.640) 2.449 6.217 ( -0.620 1.034 1.223) 1.717 6.274 ( -3.437 -1.482 0.408) 3.765 6.337 ( -3.618 1.492 -1.804) 4.309 6.410 ( -0.904 -1.736 -2.581) 3.239 6.478 ( -0.171 2.789 -1.096) 3.002 6.586 ( -0.118 0.385 -3.775) 3.796 6.695 ( -0.125 -3.722 1.165) 3.902 6.767 ( -0.468 -3.659 -0.697) 3.754 6.875 ( -3.843 0.433 1.537) 4.162 6.906 ( -1.650 0.518 3.859) 4.229 6.917 ( 3.207 -0.266 -0.108) 3.220 6.980 ( 0.595 -1.011 0.450) 1.256 7.111 ( 1.601 -0.764 -0.353) 1.809 7.173 ( 2.018 -3.546 -0.427) 4.102 7.280 ( 1.942 2.373 0.274) 3.079 7.328 ( 3.469 1.948 1.060) 4.117 7.414 ( -0.915 2.092 1.095) 2.532 7.570 ( -0.966 -3.577 -2.236) 4.328 7.652 ( 0.262 1.235 -2.930) 3.191 7.704 ( -0.546 -1.895 0.171) 1.979 7.969 ( 0.836 6.627 0.387) 6.690 8.007 ( 0.328 5.948 -1.084) 6.054 8.048 ( 1.962 2.505 1.258) 3.421 8.180 ( -1.182 4.680 -0.401) 4.843 8.505 ( -0.722 -5.105 -0.889) 5.232 8.521 ( 0.149 -7.955 -0.193) 7.958 8.732 ( -3.401 6.078 -1.430) 7.110 8.868 ( -2.731 3.677 -3.520) 5.776 11.651 ( -1.255 0.332 0.819) 1.535 11.672 ( -0.555 -0.416 0.468) 0.836 11.734 ( -0.468 0.207 -0.052) 0.514 11.743 ( -0.203 -0.059 0.368) 0.425 13.963 ( -1.155 0.881 1.041) 1.787 14.010 ( 0.681 -1.182 0.501) 1.453 14.147 ( 2.317 1.442 0.290) 2.744 14.192 ( 4.986 -0.448 -1.418) 5.204 15.443 ( -0.729 2.170 -0.829) 2.435 15.569 ( 1.039 -2.727 -2.101) 3.596 15.655 ( 1.246 2.984 0.440) 3.263 15.922 ( -0.794 -10.569 3.839) 11.272 16.387 ( -1.704 4.356 -2.448) 5.279 16.467 ( -1.626 6.653 -2.978) 7.468 16.574 ( -2.300 -1.972 1.065) 3.211 16.725 ( 0.306 -2.393 -2.674) 3.601 ======================= Grid point 45 (23/75) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 6.893 2.419 6.030) 9.472 1.520 ( 1.906 1.357 10.915) 11.163 1.785 ( 1.130 1.978 -3.561) 4.227 1.796 ( 1.430 -1.927 1.479) 2.819 1.896 ( 2.564 0.394 3.002) 3.968 1.972 ( 8.017 -4.730 1.013) 9.363 2.055 ( 3.301 0.736 -0.569) 3.430 2.124 ( -3.360 -2.408 0.500) 4.164 2.175 ( -0.734 2.541 -1.926) 3.272 2.193 ( -3.138 -5.066 -0.746) 6.006 2.324 ( 3.898 2.680 -0.097) 4.731 2.370 ( 0.416 -1.495 0.853) 1.771 2.463 ( -1.453 5.489 -1.658) 5.915 2.499 ( -0.827 -1.947 1.469) 2.576 2.612 ( 0.986 0.118 -5.320) 5.412 2.738 ( 0.286 2.122 -7.257) 7.566 2.888 ( 1.840 4.279 2.372) 5.227 2.944 ( 8.874 10.137 4.086) 14.079 3.106 ( -6.665 -1.614 3.567) 7.730 3.199 ( -7.636 3.786 -2.776) 8.964 3.264 ( -0.359 1.685 0.531) 1.803 3.299 ( -4.432 -1.639 -0.662) 4.772 3.389 ( -2.762 -5.443 -0.192) 6.106 3.428 ( -2.122 -3.160 0.184) 3.811 3.571 ( -0.682 -1.206 2.529) 2.884 3.600 ( -1.135 -5.449 4.369) 7.076 3.742 ( 1.371 -0.438 -1.106) 1.816 3.945 ( -1.316 -1.225 -0.471) 1.859 3.972 ( 0.371 -5.567 2.160) 5.982 4.007 ( -1.672 -8.348 1.237) 8.603 4.256 ( 2.637 1.528 -3.470) 4.618 4.332 ( 0.999 1.005 -1.936) 2.399 4.410 ( 0.390 -0.411 -3.391) 3.438 4.485 ( -0.162 -1.421 -2.151) 2.583 4.607 ( -0.597 5.096 -0.915) 5.212 4.650 ( 0.301 1.847 0.641) 1.978 4.752 ( -1.141 4.555 -2.354) 5.252 4.794 ( 0.097 -1.486 0.768) 1.676 4.915 ( 1.012 2.837 0.234) 3.021 5.012 ( 0.753 -1.980 0.857) 2.285 5.169 ( 0.075 -1.112 -0.947) 1.463 5.194 ( 0.824 -0.806 -1.616) 1.985 5.314 ( 0.184 2.304 -1.549) 2.783 5.380 ( 1.008 -0.993 -0.173) 1.426 5.457 ( -1.148 -0.387 4.097) 4.272 5.498 ( -2.954 -1.754 7.069) 7.860 5.567 ( -1.074 2.465 0.398) 2.718 5.663 ( -0.745 -1.775 0.137) 1.930 5.810 ( -2.969 -0.079 0.955) 3.120 5.838 ( -0.024 -1.552 -2.728) 3.138 5.914 ( 0.786 0.386 -1.407) 1.657 5.980 ( -0.163 -1.005 0.843) 1.322 6.197 ( -1.184 0.453 0.181) 1.280 6.221 ( -1.627 0.165 0.685) 1.773 6.317 ( 1.357 2.403 -0.633) 2.831 6.413 ( 1.854 -1.554 -1.880) 3.064 6.480 ( 1.442 1.860 -2.173) 3.203 6.574 ( -0.115 -1.201 -2.111) 2.431 6.694 ( -0.352 -0.921 0.548) 1.128 6.736 ( -1.228 -2.215 0.583) 2.598 6.820 ( -2.531 0.415 3.362) 4.229 6.855 ( -2.939 -1.470 3.980) 5.161 6.989 ( 2.569 -0.526 0.396) 2.652 7.024 ( 1.347 -0.900 -1.091) 1.953 7.143 ( 1.852 -0.667 1.774) 2.650 7.231 ( 3.500 -2.963 0.661) 4.634 7.306 ( 0.315 2.279 -0.368) 2.330 7.364 ( -1.189 -0.970 1.856) 2.409 7.395 ( -0.462 4.564 -0.993) 4.693 7.543 ( -0.333 -3.012 -2.793) 4.122 7.651 ( 1.347 2.489 -0.830) 2.949 7.695 ( -0.344 0.473 0.529) 0.788 7.968 ( -0.986 6.990 -0.776) 7.101 8.009 ( 0.438 2.406 -0.257) 2.459 8.079 ( -0.011 2.051 -0.316) 2.075 8.146 ( -1.606 2.874 -1.074) 3.463 8.490 ( 0.270 -3.483 -0.656) 3.554 8.533 ( 0.426 -7.112 0.831) 7.173 8.695 ( -0.415 3.442 -0.935) 3.591 8.829 ( -0.033 0.859 -2.307) 2.462 11.636 ( -0.568 0.532 1.071) 1.324 11.669 ( -0.018 -0.761 0.701) 1.035 11.725 ( -0.366 0.371 -0.268) 0.586 11.737 ( -0.440 -0.068 -0.110) 0.459 13.953 ( -0.508 0.905 1.258) 1.631 14.022 ( 0.240 -2.202 0.510) 2.273 14.184 ( 1.197 2.556 0.870) 2.954 14.267 ( 3.217 -1.084 0.405) 3.419 15.428 ( -0.476 2.318 -1.238) 2.671 15.578 ( 1.056 -3.857 -3.759) 5.488 15.675 ( 0.519 3.198 0.758) 3.327 15.892 ( -3.155 -6.440 2.862) 7.721 16.352 ( -1.037 4.738 -1.854) 5.192 16.439 ( -0.446 3.758 -3.421) 5.102 16.556 ( -0.056 -0.800 1.887) 2.050 16.727 ( 0.792 -3.598 -2.145) 4.263 ======================= Grid point 46 (24/75) ======================= q-point: (-0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -14.980 4.478 5.291) 16.506 1.449 ( -12.664 4.796 4.740) 14.347 1.716 ( -6.893 -6.252 -0.182) 9.308 1.833 ( -0.939 -4.436 1.321) 4.723 1.972 ( 3.738 4.177 1.987) 5.947 2.033 ( -2.187 -4.936 5.395) 7.632 2.085 ( 1.367 5.499 -0.890) 5.736 2.156 ( 2.656 -1.978 2.098) 3.920 2.190 ( 5.033 -1.415 0.385) 5.242 2.264 ( 5.248 5.867 2.586) 8.286 2.369 ( 1.539 -2.085 -1.618) 3.055 2.405 ( -0.586 1.687 2.644) 3.190 2.472 ( 2.506 0.913 -0.690) 2.755 2.534 ( 6.882 -3.394 1.998) 7.929 2.617 ( 1.571 1.742 -5.940) 6.387 2.739 ( -3.720 4.661 -5.523) 8.128 2.829 ( -3.388 1.935 -1.950) 4.362 2.876 ( -5.763 10.749 2.275) 12.406 3.061 ( -4.289 -6.639 1.123) 7.984 3.206 ( 5.087 6.798 0.795) 8.528 3.246 ( -0.191 -2.892 -2.755) 3.999 3.273 ( 1.486 -0.918 -2.135) 2.759 3.360 ( 1.369 -0.166 -1.234) 1.851 3.400 ( -0.822 -5.217 0.023) 5.281 3.541 ( -4.742 -6.767 4.808) 9.560 3.577 ( -0.975 -2.690 -0.138) 2.864 3.781 ( 2.269 -1.152 1.631) 3.023 3.884 ( -2.607 -4.834 -2.704) 6.121 3.949 ( -1.423 -2.215 2.660) 3.743 4.068 ( 4.316 -6.406 1.374) 7.846 4.310 ( 2.814 3.055 -1.024) 4.277 4.345 ( 0.948 0.433 -0.301) 1.085 4.421 ( 1.083 1.798 -4.201) 4.696 4.505 ( 3.999 -2.199 -1.965) 4.969 4.590 ( -0.452 4.040 -2.266) 4.654 4.654 ( 0.074 1.853 -0.514) 1.924 4.741 ( 0.691 2.855 0.425) 2.968 4.813 ( 1.615 -0.707 0.197) 1.774 4.928 ( 0.422 2.920 -0.525) 2.996 5.011 ( -1.293 -1.606 1.412) 2.499 5.171 ( 0.889 -1.131 -2.238) 2.660 5.193 ( -0.268 -1.228 -1.069) 1.650 5.310 ( 0.037 1.829 -0.153) 1.836 5.376 ( -2.256 -2.454 2.708) 4.295 5.437 ( -0.671 0.972 1.643) 2.023 5.486 ( -2.208 -2.002 5.448) 6.210 5.557 ( 0.375 2.996 0.993) 3.178 5.655 ( -0.239 -0.406 -0.168) 0.500 5.743 ( -3.327 0.223 -1.846) 3.811 5.818 ( -0.222 -3.352 -1.932) 3.875 5.930 ( 0.874 0.073 -1.367) 1.625 5.961 ( -2.135 -0.463 -0.772) 2.317 6.203 ( 1.529 0.322 0.160) 1.571 6.218 ( 0.936 0.266 1.005) 1.399 6.350 ( 1.526 3.518 1.107) 3.991 6.419 ( -0.540 0.254 -1.727) 1.827 6.538 ( 3.704 -0.870 -3.553) 5.205 6.573 ( 1.843 -1.454 0.321) 2.369 6.689 ( -0.060 -0.948 0.754) 1.213 6.746 ( 1.439 -1.877 1.006) 2.570 6.814 ( 0.386 0.881 3.634) 3.759 6.837 ( 0.280 -0.407 2.071) 2.130 6.998 ( -1.224 -0.092 0.881) 1.511 7.012 ( -2.209 0.131 -0.328) 2.237 7.185 ( 0.633 -1.815 2.477) 3.136 7.275 ( -0.472 -4.003 0.777) 4.105 7.298 ( -0.428 2.410 0.851) 2.591 7.335 ( -0.784 0.304 0.500) 0.979 7.374 ( -1.241 3.611 -1.246) 4.017 7.538 ( 0.780 -3.401 -2.556) 4.325 7.684 ( 1.061 2.688 0.480) 2.930 7.724 ( 3.656 1.292 1.146) 4.043 7.937 ( -1.518 5.307 -1.462) 5.710 8.014 ( -0.234 3.434 -1.064) 3.602 8.033 ( -3.195 2.320 -1.470) 4.213 8.126 ( -0.377 2.643 -1.983) 3.325 8.503 ( 0.519 -5.242 0.231) 5.273 8.548 ( 1.195 -5.919 1.320) 6.181 8.702 ( 1.567 3.841 -0.855) 4.236 8.849 ( 2.900 0.289 -1.940) 3.501 11.639 ( 0.411 0.618 1.166) 1.382 11.676 ( 0.392 -0.874 1.036) 1.411 11.720 ( -0.001 0.285 -0.472) 0.552 11.727 ( -0.407 0.046 -0.527) 0.667 13.952 ( -0.115 0.801 1.239) 1.480 14.022 ( -0.473 -2.448 0.449) 2.533 14.197 ( -0.289 3.297 1.172) 3.511 14.322 ( 2.124 -2.147 2.705) 4.054 15.416 ( -0.175 2.197 -1.398) 2.610 15.576 ( 0.227 -4.772 -4.607) 6.637 15.678 ( -0.570 2.862 0.545) 2.969 15.839 ( -3.126 -3.589 1.500) 4.990 16.334 ( 0.035 5.568 -2.235) 6.000 16.425 ( 0.375 2.336 -3.182) 3.965 16.582 ( 1.792 -0.491 2.091) 2.797 16.739 ( 1.307 -3.920 -1.807) 4.510 ======================= Grid point 47 (25/75) ======================= q-point: (-0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -18.278 9.009 8.819) 22.204 1.151 ( -19.026 9.711 7.633) 22.684 1.577 ( -7.227 -10.806 2.658) 13.269 1.744 ( -6.209 -16.065 4.271) 17.745 1.945 ( -15.741 11.807 7.063) 20.907 2.047 ( 0.795 7.439 1.780) 7.690 2.139 ( 2.034 1.009 2.591) 3.446 2.152 ( -2.595 0.456 0.709) 2.728 2.204 ( -6.585 5.333 -1.966) 8.699 2.270 ( 2.081 3.982 1.744) 4.819 2.363 ( -2.308 4.632 -0.020) 5.175 2.423 ( 3.979 -1.301 -3.968) 5.768 2.481 ( 2.194 3.591 -1.089) 4.347 2.627 ( 2.476 -0.648 0.377) 2.587 2.656 ( 4.361 1.768 -2.966) 5.563 2.742 ( 8.813 -2.437 2.701) 9.535 2.872 ( 1.353 3.201 5.163) 6.223 2.907 ( 1.083 -1.197 -2.037) 2.599 3.009 ( 5.405 -6.215 -5.352) 9.823 3.155 ( -6.099 -6.999 -2.154) 9.530 3.252 ( 0.680 3.143 -0.518) 3.257 3.333 ( 2.521 -5.085 -1.508) 5.873 3.367 ( 0.540 0.096 -3.477) 3.520 3.435 ( 2.273 0.723 1.846) 3.016 3.493 ( -0.497 -9.855 3.055) 10.329 3.559 ( -0.067 0.339 -0.924) 0.986 3.827 ( 1.191 -1.622 2.873) 3.507 3.852 ( 0.087 -4.974 -2.207) 5.442 3.943 ( -0.092 0.502 2.348) 2.402 4.153 ( 3.711 -7.117 0.866) 8.073 4.329 ( -0.292 1.742 -1.469) 2.298 4.359 ( -0.278 2.413 -2.212) 3.285 4.407 ( -0.299 3.703 -1.829) 4.141 4.557 ( 1.248 6.365 -2.174) 6.841 4.579 ( 0.201 -1.622 -2.811) 3.251 4.690 ( 3.548 -2.377 -0.658) 4.321 4.774 ( 2.088 0.909 2.456) 3.349 4.849 ( 1.982 -0.287 -0.590) 2.088 4.934 ( 1.095 1.390 -1.846) 2.557 4.980 ( -2.295 -0.439 1.263) 2.656 5.173 ( -0.147 -1.012 -3.130) 3.293 5.197 ( 2.006 -1.504 -2.799) 3.758 5.299 ( -2.747 0.572 1.929) 3.405 5.363 ( 1.651 -1.472 4.941) 5.413 5.445 ( -0.337 -0.510 1.266) 1.406 5.450 ( -1.941 -1.196 3.156) 3.893 5.593 ( 1.582 4.853 2.377) 5.630 5.650 ( 0.809 1.360 0.531) 1.669 5.693 ( -1.245 1.594 -1.346) 2.429 5.809 ( -1.363 -3.153 1.604) 3.791 5.906 ( -2.008 -0.434 -1.232) 2.395 5.936 ( 0.357 -2.136 -2.631) 3.408 6.215 ( -0.208 0.708 0.804) 1.091 6.276 ( 3.525 -1.407 0.774) 3.874 6.371 ( -0.080 2.462 -0.317) 2.483 6.406 ( 1.035 0.300 -0.943) 1.432 6.552 ( 0.469 -0.243 -1.577) 1.663 6.643 ( 3.164 -1.023 -0.791) 3.418 6.697 ( 0.020 -2.194 0.795) 2.333 6.752 ( -1.305 -2.282 -0.707) 2.722 6.863 ( 4.505 3.696 0.626) 5.860 6.900 ( 3.924 0.608 3.416) 5.238 6.949 ( -3.567 1.669 1.277) 4.141 6.986 ( -0.055 0.378 2.440) 2.469 7.160 ( -3.081 -1.182 -0.356) 3.319 7.235 ( -2.770 -3.033 -0.209) 4.113 7.265 ( -4.205 1.059 1.170) 4.492 7.332 ( -2.354 -0.032 1.001) 2.558 7.383 ( 3.795 0.756 1.208) 4.053 7.548 ( 0.917 -4.227 -2.437) 4.964 7.707 ( 1.314 3.505 -0.158) 3.746 7.788 ( 0.893 -2.450 2.063) 3.325 7.911 ( -0.386 4.719 -2.034) 5.153 7.942 ( -3.421 4.726 -2.114) 6.205 8.027 ( 0.776 5.220 -0.546) 5.306 8.112 ( 0.199 3.960 -3.012) 4.980 8.500 ( -0.654 -8.386 0.140) 8.413 8.588 ( 1.806 -5.880 1.551) 6.343 8.753 ( 4.369 6.408 -1.097) 7.833 8.917 ( 5.078 2.257 -3.230) 6.428 11.659 ( 1.155 0.512 1.108) 1.681 11.688 ( 0.376 -0.605 1.199) 1.395 11.717 ( -0.245 0.168 -0.677) 0.739 11.723 ( 0.416 -0.076 -0.523) 0.672 13.959 ( 0.418 0.469 0.969) 1.155 14.008 ( -1.007 -1.925 0.292) 2.192 14.180 ( -2.015 3.464 1.032) 4.138 14.369 ( 1.082 -5.286 4.705) 7.159 15.414 ( 0.538 1.808 -1.039) 2.153 15.549 ( -1.116 -4.686 -5.007) 6.948 15.656 ( -1.988 2.770 0.676) 3.476 15.782 ( -3.446 -2.264 -0.072) 4.124 16.344 ( 2.345 7.604 -3.207) 8.579 16.427 ( 0.977 2.215 -2.684) 3.614 16.632 ( 2.497 -0.646 1.663) 3.069 16.766 ( 2.275 -3.804 -1.742) 4.762 ======================= Grid point 48 (26/75) ======================= q-point: (-0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -10.429 18.730 14.284) 25.761 0.859 ( -14.604 15.074 15.309) 25.978 1.451 ( -15.834 8.219 11.776) 21.376 1.527 ( -16.097 7.035 10.754) 20.597 1.675 ( -3.798 -18.911 5.876) 20.164 2.045 ( 0.385 6.933 -3.932) 7.980 2.078 ( -3.884 1.378 -3.035) 5.118 2.159 ( 0.189 -0.264 2.711) 2.730 2.188 ( 0.654 4.337 -0.163) 4.389 2.298 ( -0.128 1.675 1.179) 2.052 2.332 ( -1.031 6.400 2.083) 6.809 2.454 ( 2.039 -5.697 -9.365) 11.150 2.551 ( 4.138 4.508 0.789) 6.170 2.675 ( 1.161 -1.991 -1.392) 2.692 2.743 ( -0.420 -3.795 -0.203) 3.824 2.785 ( 1.566 -6.361 0.881) 6.610 2.923 ( 4.006 1.594 2.448) 4.959 2.969 ( 5.395 2.146 -2.303) 6.246 3.028 ( -4.525 -13.238 -1.042) 14.028 3.166 ( 6.306 -0.373 2.280) 6.716 3.239 ( -2.049 0.837 -0.934) 2.402 3.302 ( -1.120 0.485 -0.763) 1.439 3.408 ( 1.468 -1.379 -0.273) 2.033 3.489 ( 3.679 4.041 0.136) 5.466 3.527 ( 2.041 -9.398 0.965) 9.666 3.596 ( 4.764 -1.204 -0.651) 4.956 3.837 ( -1.030 -3.620 2.807) 4.695 3.843 ( -1.084 -7.382 -0.232) 7.465 3.982 ( 3.383 6.390 0.664) 7.260 4.182 ( -1.369 -3.318 -0.312) 3.603 4.267 ( -5.114 0.163 -2.647) 5.761 4.319 ( -2.413 -1.236 -2.519) 3.701 4.424 ( 2.504 3.775 -0.874) 4.613 4.534 ( -1.027 -0.862 -2.295) 2.658 4.619 ( 3.022 4.701 -1.218) 5.719 4.717 ( -0.288 -0.752 0.221) 0.835 4.811 ( 0.340 -0.125 1.692) 1.730 4.879 ( 1.121 -1.081 -0.671) 1.696 4.938 ( -1.763 0.417 -0.789) 1.976 4.951 ( 0.177 -1.855 -2.810) 3.372 5.153 ( -0.793 0.430 -3.059) 3.189 5.215 ( 0.516 -2.082 -4.022) 4.559 5.259 ( -0.450 1.714 -0.951) 2.011 5.400 ( -2.684 -2.331 2.717) 4.474 5.443 ( -0.030 -0.145 2.148) 2.153 5.491 ( 5.362 -4.220 8.254) 10.709 5.624 ( 0.180 5.036 2.507) 5.628 5.661 ( 0.230 3.760 -0.860) 3.864 5.733 ( 5.611 0.577 3.515) 6.646 5.790 ( -0.333 -0.755 4.953) 5.021 5.895 ( -0.030 -1.065 1.698) 2.005 5.928 ( 0.206 -2.478 -2.423) 3.472 6.210 ( -0.312 1.194 0.586) 1.366 6.294 ( -2.063 -1.507 -0.052) 2.555 6.401 ( 4.496 1.615 -0.236) 4.783 6.462 ( 4.072 0.096 0.219) 4.079 6.555 ( 0.760 0.542 -1.787) 2.016 6.654 ( -3.659 0.633 -0.094) 3.715 6.673 ( -0.179 -2.646 -2.206) 3.450 6.728 ( -2.135 -3.214 2.080) 4.383 6.895 ( 1.458 2.466 2.424) 3.753 6.961 ( 0.397 0.559 0.865) 1.104 6.996 ( 5.662 4.486 -0.550) 7.245 7.012 ( 1.016 0.161 0.796) 1.300 7.093 ( -2.572 1.047 -0.338) 2.798 7.159 ( -5.553 -0.685 1.704) 5.849 7.193 ( -2.073 -2.753 -1.665) 3.827 7.278 ( -2.794 0.957 -0.258) 2.965 7.460 ( 2.150 -4.486 3.377) 6.012 7.545 ( -0.208 -5.272 -2.105) 5.681 7.710 ( -3.160 2.374 -0.569) 3.993 7.745 ( -2.852 -1.106 0.039) 3.059 7.906 ( 0.968 5.870 -0.078) 5.949 7.927 ( 1.230 4.154 -0.601) 4.374 8.038 ( 0.358 8.021 -0.423) 8.040 8.127 ( 2.915 2.684 -3.848) 5.524 8.485 ( -0.886 -10.309 0.078) 10.347 8.611 ( 0.030 -6.809 0.066) 6.809 8.859 ( 6.809 9.900 -2.638) 12.301 9.010 ( 6.679 6.301 -8.251) 12.344 11.686 ( 1.041 0.276 0.933) 1.424 11.697 ( 0.099 -0.053 0.863) 0.870 11.710 ( -0.091 0.349 -0.480) 0.600 11.732 ( 0.625 -0.500 -0.218) 0.829 13.976 ( 1.101 0.089 0.636) 1.275 13.992 ( -0.545 -0.715 0.178) 0.916 14.131 ( -3.106 2.537 0.505) 4.042 14.355 ( -6.297 -10.946 1.963) 12.779 15.435 ( 1.981 1.456 -0.038) 2.459 15.512 ( -0.190 -2.183 -2.027) 2.985 15.618 ( -1.785 2.642 2.024) 3.776 15.710 ( -3.613 -1.430 0.070) 3.886 16.403 ( 5.175 8.020 -5.200) 10.869 16.439 ( 1.722 3.676 -3.133) 5.127 16.683 ( 2.291 0.256 0.712) 2.412 16.804 ( 1.865 -3.205 -2.330) 4.379 ======================= Grid point 49 (27/75) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -1.301 -18.180 13.692) 22.797 1.130 ( -1.301 18.180 13.692) 22.797 1.205 ( -3.920 -22.770 8.428) 24.594 1.205 ( -3.920 22.770 8.428) 24.594 1.956 ( -1.654 -20.964 6.158) 21.912 1.956 ( -1.654 20.964 6.158) 21.912 2.101 ( -0.445 -11.052 -1.893) 11.222 2.101 ( -0.445 11.052 -1.893) 11.222 2.289 ( -0.253 -1.895 -3.894) 4.338 2.289 ( -0.253 1.895 -3.894) 4.338 2.314 ( 2.653 -7.610 -1.176) 8.145 2.314 ( 2.653 7.610 -1.176) 8.145 2.546 ( -2.954 -3.014 1.904) 4.630 2.546 ( -2.954 3.014 1.904) 4.630 2.720 ( 0.135 -5.361 -3.260) 6.276 2.720 ( 0.135 5.361 -3.260) 6.276 2.923 ( -1.255 -4.592 2.854) 5.551 2.923 ( -1.255 4.592 2.854) 5.551 3.146 ( 1.853 -2.917 -0.540) 3.498 3.146 ( 1.853 2.917 -0.540) 3.498 3.319 ( 2.307 -6.960 1.500) 7.484 3.319 ( 2.307 6.960 1.500) 7.484 3.473 ( 1.674 -1.898 -1.099) 2.759 3.473 ( 1.674 1.898 -1.099) 2.759 3.649 ( 1.408 -5.714 0.777) 5.936 3.649 ( 1.408 5.714 0.777) 5.936 3.689 ( -1.169 -1.591 1.204) 2.313 3.689 ( -1.169 1.591 1.204) 2.313 4.110 ( -1.769 -1.549 -0.530) 2.410 4.110 ( -1.769 1.549 -0.530) 2.410 4.209 ( -0.611 -2.739 -1.624) 3.242 4.209 ( -0.611 2.739 -1.624) 3.242 4.502 ( 1.058 -1.129 -1.217) 1.969 4.502 ( 1.058 1.129 -1.217) 1.969 4.710 ( -0.039 -1.683 -1.110) 2.017 4.710 ( -0.039 1.683 -1.110) 2.017 4.843 ( -0.556 -2.448 0.720) 2.612 4.843 ( -0.556 2.448 0.720) 2.612 4.924 ( 0.364 -0.778 -2.277) 2.433 4.924 ( 0.364 0.778 -2.277) 2.433 5.169 ( -0.223 -2.144 -3.442) 4.061 5.169 ( -0.223 2.144 -3.442) 4.061 5.314 ( 0.294 -3.248 -1.507) 3.592 5.314 ( 0.294 3.248 -1.507) 3.592 5.488 ( 0.419 -3.729 5.860) 6.958 5.488 ( 0.419 3.729 5.860) 6.958 5.717 ( -0.919 -5.024 1.130) 5.231 5.717 ( -0.919 5.024 1.130) 5.231 5.770 ( -0.093 -3.444 4.409) 5.595 5.770 ( -0.093 3.444 4.409) 5.595 5.923 ( 1.792 -2.608 1.353) 3.442 5.923 ( 1.792 2.608 1.353) 3.442 6.255 ( 0.521 -2.222 0.802) 2.419 6.255 ( 0.521 2.222 0.802) 2.419 6.533 ( -1.892 -3.209 -0.343) 3.741 6.533 ( -1.892 3.209 -0.343) 3.741 6.539 ( 0.586 -2.425 -0.170) 2.501 6.539 ( 0.586 2.425 -0.170) 2.501 6.639 ( 0.068 -1.004 -0.343) 1.063 6.639 ( 0.068 1.004 -0.343) 1.063 6.937 ( -3.934 -3.236 -2.491) 5.670 6.937 ( -3.934 3.236 -2.491) 5.670 7.029 ( 2.387 -2.738 -0.540) 3.672 7.029 ( 2.387 2.738 -0.540) 3.672 7.089 ( -1.405 -2.257 -0.002) 2.659 7.089 ( -1.405 2.257 -0.002) 2.659 7.223 ( -0.122 -5.322 3.061) 6.141 7.223 ( -0.122 5.322 3.061) 6.141 7.436 ( 0.569 -4.453 -0.650) 4.537 7.436 ( 0.569 4.453 -0.650) 4.537 7.715 ( -1.174 -2.867 -1.214) 3.328 7.715 ( -1.174 2.867 -1.214) 3.328 8.028 ( 1.069 -1.467 -0.106) 1.818 8.028 ( 1.069 1.467 -0.106) 1.818 8.136 ( 1.866 -1.580 -0.163) 2.451 8.136 ( 1.866 1.580 -0.163) 2.451 8.430 ( -0.850 -6.766 -0.365) 6.829 8.430 ( -0.850 6.766 -0.365) 6.829 9.083 ( 0.813 -4.441 -7.291) 8.576 9.083 ( 0.813 4.441 -7.291) 8.576 11.696 ( -0.522 -0.222 0.271) 0.628 11.696 ( -0.522 0.222 0.271) 0.628 11.731 ( 0.623 -0.557 0.415) 0.934 11.731 ( 0.623 0.557 0.415) 0.934 14.007 ( 1.769 -0.469 0.365) 1.866 14.007 ( 1.769 0.469 0.365) 1.866 14.102 ( -4.421 -1.166 -0.370) 4.587 14.102 ( -4.421 1.166 -0.370) 4.587 15.502 ( 1.468 -1.517 0.672) 2.215 15.502 ( 1.468 1.517 0.672) 2.215 15.644 ( 0.305 -0.697 1.774) 1.930 15.644 ( 0.305 0.697 1.774) 1.930 16.496 ( 1.214 -3.310 -3.595) 5.035 16.496 ( 1.214 3.310 -3.595) 5.035 16.759 ( -0.257 -1.633 -2.625) 3.102 16.759 ( -0.257 1.633 -2.625) 3.102 ======================= Grid point 51 (28/75) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.510 -21.504 5.783) 22.409 1.167 ( 2.510 21.504 5.783) 22.409 1.267 ( 6.388 -15.604 14.680) 22.356 1.267 ( 6.388 15.604 14.680) 22.356 1.982 ( 0.145 -9.535 1.996) 9.743 1.982 ( 0.145 9.535 1.996) 9.743 2.097 ( 0.290 -5.145 -3.230) 6.081 2.097 ( 0.290 5.145 -3.230) 6.081 2.270 ( 1.365 -6.129 -6.636) 9.136 2.270 ( 1.365 6.129 -6.636) 9.136 2.437 ( 8.050 -7.029 4.155) 11.466 2.437 ( 8.050 7.029 4.155) 11.466 2.487 ( -2.411 -5.709 -1.156) 6.305 2.487 ( -2.411 5.709 -1.156) 6.305 2.668 ( -3.910 -3.340 -2.223) 5.602 2.668 ( -3.910 3.340 -2.223) 5.602 2.888 ( -2.174 -7.670 2.130) 8.252 2.888 ( -2.174 7.670 2.130) 8.252 3.161 ( -0.354 -4.454 2.355) 5.050 3.161 ( -0.354 4.454 2.355) 5.050 3.376 ( 1.230 -4.066 1.829) 4.625 3.376 ( 1.230 4.066 1.829) 4.625 3.449 ( -3.127 -1.857 1.522) 3.943 3.449 ( -3.127 1.857 1.522) 3.943 3.631 ( -1.980 -6.585 0.525) 6.896 3.631 ( -1.980 6.585 0.525) 6.896 3.718 ( 2.503 -3.648 0.698) 4.478 3.718 ( 2.503 3.648 0.698) 4.478 4.055 ( -3.879 -4.047 -0.861) 5.672 4.055 ( -3.879 4.047 -0.861) 5.672 4.234 ( 3.738 -0.189 -3.841) 5.363 4.234 ( 3.738 0.189 -3.841) 5.363 4.509 ( -0.119 -1.583 -1.186) 1.981 4.509 ( -0.119 1.583 -1.186) 1.981 4.697 ( -0.988 -1.546 -0.844) 2.019 4.697 ( -0.988 1.546 -0.844) 2.019 4.830 ( -0.870 -2.677 0.052) 2.815 4.830 ( -0.870 2.677 0.052) 2.815 4.932 ( 0.990 -1.419 -1.533) 2.312 4.932 ( 0.990 1.419 -1.533) 2.312 5.152 ( 0.112 -1.205 -2.343) 2.637 5.152 ( 0.112 1.205 -2.343) 2.637 5.327 ( 1.670 -2.324 -3.305) 4.372 5.327 ( 1.670 2.324 -3.305) 4.372 5.500 ( -1.860 -5.470 7.380) 9.372 5.500 ( -1.860 5.470 7.380) 9.372 5.681 ( -2.650 -1.072 0.692) 2.941 5.681 ( -2.650 1.072 0.692) 2.941 5.790 ( 0.664 -3.586 4.903) 6.111 5.790 ( 0.664 3.586 4.903) 6.111 5.943 ( -0.255 -2.668 0.517) 2.730 5.943 ( -0.255 2.668 0.517) 2.730 6.266 ( -0.285 -3.172 0.794) 3.282 6.266 ( -0.285 3.172 0.794) 3.282 6.437 ( -4.450 -0.388 0.378) 4.483 6.437 ( -4.450 0.388 0.378) 4.483 6.558 ( -0.358 -3.721 -1.948) 4.215 6.558 ( -0.358 3.721 -1.948) 4.215 6.676 ( 2.429 -1.790 -0.241) 3.027 6.676 ( 2.429 1.790 -0.241) 3.027 6.873 ( -0.252 -2.877 -2.123) 3.585 6.873 ( -0.252 2.877 -2.123) 3.585 7.013 ( -4.294 -3.419 0.445) 5.507 7.013 ( -4.294 3.419 0.445) 5.507 7.090 ( 1.290 -1.509 -0.379) 2.021 7.090 ( 1.290 1.509 -0.379) 2.021 7.257 ( 2.927 -1.442 1.860) 3.756 7.257 ( 2.927 1.442 1.860) 3.756 7.471 ( 2.538 -5.295 -0.463) 5.890 7.471 ( 2.538 5.295 -0.463) 5.890 7.687 ( -1.080 -3.405 -1.692) 3.953 7.687 ( -1.080 3.405 -1.692) 3.953 8.047 ( 0.846 -2.409 0.040) 2.554 8.047 ( 0.846 2.409 0.040) 2.554 8.163 ( 0.645 -5.275 0.527) 5.340 8.163 ( 0.645 5.275 0.527) 5.340 8.420 ( 0.115 -4.106 -0.446) 4.132 8.420 ( 0.115 4.106 -0.446) 4.132 8.996 ( -6.117 -3.147 -5.708) 8.938 8.996 ( -6.117 3.147 -5.708) 8.938 11.680 ( -1.142 -0.388 0.435) 1.282 11.680 ( -1.142 0.388 0.435) 1.282 11.740 ( 0.104 -0.214 0.426) 0.488 11.740 ( 0.104 0.214 0.426) 0.488 14.005 ( -1.794 -0.147 1.030) 2.074 14.005 ( -1.794 0.147 1.030) 2.074 14.101 ( 3.903 -0.299 -1.586) 4.223 14.101 ( 3.903 0.299 -1.586) 4.223 15.511 ( -0.196 -2.622 -0.735) 2.730 15.511 ( -0.196 2.622 -0.735) 2.730 15.695 ( 2.998 -5.215 3.053) 6.746 15.695 ( 2.998 5.215 3.053) 6.746 16.494 ( -0.094 -4.092 -3.411) 5.328 16.494 ( -0.094 4.092 -3.411) 5.328 16.706 ( -3.553 -3.259 -1.841) 5.161 16.706 ( -3.553 3.259 -1.841) 5.161 ======================= Grid point 53 (29/75) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 10.679 -12.658 7.701) 18.264 1.331 ( 10.679 12.658 7.701) 18.264 1.498 ( 12.645 -10.246 9.638) 18.915 1.498 ( 12.645 10.246 9.638) 18.915 1.945 ( -3.339 -4.591 -2.185) 6.082 1.945 ( -3.339 4.591 -2.185) 6.082 2.095 ( -0.014 -4.505 -0.201) 4.509 2.095 ( -0.014 4.505 -0.201) 4.509 2.270 ( -0.801 -4.602 -6.574) 8.064 2.270 ( -0.801 4.602 -6.574) 8.064 2.398 ( -3.260 -3.456 -4.550) 6.579 2.398 ( -3.260 3.456 -4.550) 6.579 2.520 ( -1.886 -2.543 0.517) 3.208 2.520 ( -1.886 2.543 0.517) 3.208 2.679 ( 3.363 -4.660 -1.477) 5.934 2.679 ( 3.363 4.660 -1.477) 5.934 2.915 ( 5.541 -13.264 4.478) 15.057 2.915 ( 5.541 13.264 4.478) 15.057 3.139 ( -3.122 -5.524 3.572) 7.282 3.139 ( -3.122 5.524 3.572) 7.282 3.345 ( -3.097 -2.635 0.522) 4.100 3.345 ( -3.097 2.635 0.522) 4.100 3.427 ( -0.765 -4.114 2.836) 5.055 3.427 ( -0.765 4.114 2.836) 5.055 3.583 ( -4.106 -3.460 0.617) 5.404 3.583 ( -4.106 3.460 0.617) 5.404 3.773 ( 2.648 -6.535 1.580) 7.226 3.773 ( 2.648 6.535 1.580) 7.226 3.972 ( -3.610 -2.982 -0.765) 4.744 3.972 ( -3.610 2.982 -0.765) 4.744 4.284 ( 2.653 -2.364 -5.372) 6.441 4.284 ( 2.653 2.364 -5.372) 6.441 4.482 ( -1.945 -3.050 -1.127) 3.789 4.482 ( -1.945 3.050 -1.127) 3.789 4.676 ( -0.782 -0.580 0.113) 0.980 4.676 ( -0.782 0.580 0.113) 0.980 4.810 ( -0.960 -1.744 -1.380) 2.422 4.810 ( -0.960 1.744 -1.380) 2.422 4.946 ( 0.933 -2.393 -0.448) 2.607 4.946 ( 0.933 2.393 -0.448) 2.607 5.161 ( 1.200 -0.635 -1.311) 1.888 5.161 ( 1.200 0.635 -1.311) 1.888 5.345 ( 1.351 -1.394 -2.410) 3.095 5.345 ( 1.351 1.394 -2.410) 3.095 5.480 ( -2.754 -3.734 7.280) 8.633 5.480 ( -2.754 3.734 7.280) 8.633 5.647 ( -1.363 -2.259 -0.357) 2.663 5.647 ( -1.363 2.259 -0.357) 2.663 5.820 ( 0.379 -1.737 3.708) 4.112 5.820 ( 0.379 1.737 3.708) 4.112 5.934 ( -0.133 -2.191 -0.269) 2.212 5.934 ( -0.133 2.191 -0.269) 2.212 6.244 ( -1.961 -1.535 0.607) 2.563 6.244 ( -1.961 1.535 0.607) 2.563 6.371 ( -1.814 -1.946 -2.388) 3.575 6.371 ( -1.814 1.946 -2.388) 3.575 6.547 ( -0.372 -3.662 -0.997) 3.814 6.547 ( -0.372 3.662 -0.997) 3.814 6.696 ( 0.345 -2.930 -0.254) 2.961 6.696 ( 0.345 2.930 -0.254) 2.961 6.886 ( -2.437 -1.063 1.785) 3.202 6.886 ( -2.437 1.063 1.785) 3.202 6.948 ( 0.978 -1.895 0.056) 2.133 6.948 ( 0.978 1.895 0.056) 2.133 7.119 ( 2.009 -1.353 0.042) 2.423 7.119 ( 2.009 1.353 0.042) 2.423 7.324 ( 2.848 -1.708 0.592) 3.373 7.324 ( 2.848 1.708 0.592) 3.373 7.498 ( 0.041 -4.552 -0.474) 4.576 7.498 ( 0.041 4.552 -0.474) 4.576 7.668 ( 0.076 -1.465 -1.744) 2.279 7.668 ( 0.076 1.465 -1.744) 2.279 8.059 ( 0.496 -2.018 -0.459) 2.128 8.059 ( 0.496 2.018 -0.459) 2.128 8.161 ( -0.899 -5.680 0.269) 5.757 8.161 ( -0.899 5.680 0.269) 5.757 8.429 ( 0.651 -1.057 0.272) 1.271 8.429 ( 0.651 1.057 0.272) 1.271 8.860 ( -5.275 -4.505 -3.522) 7.779 8.860 ( -5.275 4.505 -3.522) 7.779 11.661 ( -0.985 -0.607 0.696) 1.350 11.661 ( -0.985 0.607 0.696) 1.350 11.739 ( -0.284 -0.274 0.160) 0.426 11.739 ( -0.284 0.274 0.160) 0.426 13.985 ( -0.679 -1.238 0.905) 1.677 13.985 ( -0.679 1.238 0.905) 1.677 14.176 ( 3.834 -1.193 -0.743) 4.084 14.176 ( 3.834 1.193 -0.743) 4.084 15.502 ( -0.065 -3.521 -1.832) 3.970 15.502 ( -0.065 3.521 -1.832) 3.970 15.750 ( 1.296 -6.590 2.864) 7.301 15.750 ( 1.296 6.590 2.864) 7.301 16.467 ( -1.199 -3.932 -3.254) 5.242 16.467 ( -1.199 3.932 -3.254) 5.242 16.644 ( -2.020 -5.702 -0.543) 6.073 16.644 ( -2.020 5.702 -0.543) 6.073 ======================= Grid point 55 (30/75) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.979 -2.039 8.902) 9.606 1.522 ( 2.979 2.039 8.902) 9.606 1.806 ( 12.163 -4.303 5.261) 13.933 1.806 ( 12.163 4.303 5.261) 13.933 1.877 ( 0.714 -6.359 -3.042) 7.085 1.877 ( 0.714 6.359 -3.042) 7.085 2.092 ( -0.865 -4.044 0.892) 4.231 2.092 ( -0.865 4.044 0.892) 4.231 2.140 ( -6.417 -4.988 -1.187) 8.214 2.140 ( -6.417 4.988 -1.187) 8.214 2.396 ( 2.912 -5.311 -4.560) 7.582 2.396 ( 2.912 5.311 -4.560) 7.582 2.493 ( -1.089 -3.744 0.076) 3.900 2.493 ( -1.089 3.744 0.076) 3.900 2.686 ( 1.062 -6.888 -5.214) 8.704 2.686 ( 1.062 6.888 -5.214) 8.704 2.989 ( -3.303 -5.375 4.039) 7.491 2.989 ( -3.303 5.375 4.039) 7.491 3.166 ( 6.385 -7.075 -0.917) 9.574 3.166 ( 6.385 7.075 -0.917) 9.574 3.294 ( -2.821 -4.004 -0.179) 4.901 3.294 ( -2.821 4.004 -0.179) 4.901 3.410 ( -3.725 -8.674 -0.305) 9.445 3.410 ( -3.725 8.674 -0.305) 9.445 3.479 ( -4.838 -6.975 5.229) 9.970 3.479 ( -4.838 6.975 5.229) 9.970 3.805 ( -0.321 -7.178 0.948) 7.248 3.805 ( -0.321 7.178 0.948) 7.248 3.943 ( 0.607 -1.435 0.337) 1.594 3.943 ( 0.607 1.435 0.337) 1.594 4.302 ( 2.255 -3.061 -3.812) 5.384 4.302 ( 2.255 3.061 -3.812) 5.384 4.447 ( -1.064 -3.140 -0.815) 3.414 4.447 ( -1.064 3.140 -0.815) 3.414 4.669 ( -0.110 -1.657 0.096) 1.663 4.669 ( -0.110 1.657 0.096) 1.663 4.790 ( -0.141 -1.403 -2.386) 2.771 4.790 ( -0.141 1.403 -2.386) 2.771 4.963 ( 0.784 -2.470 0.317) 2.611 4.963 ( 0.784 2.470 0.317) 2.611 5.174 ( 0.405 -1.088 -0.826) 1.425 5.174 ( 0.405 1.088 -0.826) 1.425 5.353 ( -0.216 -1.581 -0.280) 1.620 5.353 ( -0.216 1.581 -0.280) 1.620 5.466 ( -1.302 -1.147 5.541) 5.807 5.466 ( -1.302 1.147 5.541) 5.807 5.617 ( -1.277 -2.547 0.045) 2.850 5.617 ( -1.277 2.547 0.045) 2.850 5.814 ( -1.525 -0.813 -2.461) 3.007 5.814 ( -1.525 0.813 -2.461) 3.007 5.945 ( 0.589 -2.283 1.437) 2.761 5.945 ( 0.589 2.283 1.437) 2.761 6.211 ( -1.138 -0.855 0.437) 1.489 6.211 ( -1.138 0.855 0.437) 1.489 6.371 ( 2.590 -2.583 -1.870) 4.109 6.371 ( 2.590 2.583 -1.870) 4.109 6.531 ( -0.556 -2.823 -1.430) 3.213 6.531 ( -0.556 2.823 -1.430) 3.213 6.698 ( -0.357 -1.342 1.413) 1.981 6.698 ( -0.357 1.342 1.413) 1.981 6.828 ( -2.516 -0.839 3.020) 4.019 6.828 ( -2.516 0.839 3.020) 4.019 6.997 ( 1.940 -1.257 -0.124) 2.315 6.997 ( 1.940 1.257 -0.124) 2.315 7.166 ( 2.392 -2.469 1.312) 3.680 7.166 ( 2.392 2.469 1.312) 3.680 7.350 ( -0.247 -1.437 0.148) 1.466 7.350 ( -0.247 1.437 0.148) 1.466 7.480 ( -0.859 -3.587 -1.696) 4.060 7.480 ( -0.859 3.587 -1.696) 4.060 7.681 ( 1.610 -1.113 -0.456) 2.009 7.681 ( 1.610 1.113 -0.456) 2.009 8.057 ( -0.488 -0.755 -1.219) 1.514 8.057 ( -0.488 0.755 -1.219) 1.514 8.137 ( -1.283 -3.185 -0.639) 3.492 8.137 ( -1.283 3.185 -0.639) 3.492 8.442 ( 0.484 -0.763 1.049) 1.384 8.442 ( 0.484 0.763 1.049) 1.384 8.788 ( -1.027 -4.528 -2.275) 5.170 8.788 ( -1.027 4.528 -2.275) 5.170 11.651 ( -0.319 -0.887 0.926) 1.322 11.651 ( -0.319 0.887 0.926) 1.322 11.733 ( -0.371 -0.348 -0.197) 0.546 11.733 ( -0.371 0.348 -0.197) 0.546 13.980 ( -0.335 -1.811 0.969) 2.081 13.980 ( -0.335 1.811 0.969) 2.081 14.234 ( 2.297 -2.208 0.472) 3.221 14.234 ( 2.297 2.208 0.472) 3.221 15.494 ( -0.011 -4.100 -2.582) 4.846 15.494 ( -0.011 4.100 -2.582) 4.846 15.766 ( -0.461 -5.718 2.323) 6.189 15.766 ( -0.461 5.718 2.323) 6.189 16.434 ( -0.713 -3.459 -3.071) 4.681 16.434 ( -0.713 3.459 -3.071) 4.681 16.625 ( -0.018 -6.094 -0.015) 6.095 16.625 ( -0.018 6.094 -0.015) 6.095 ======================= Grid point 57 (31/75) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -9.186 -4.797 6.776) 12.382 1.475 ( -9.186 4.797 6.776) 12.382 1.689 ( -13.761 -6.131 0.304) 15.068 1.689 ( -13.761 6.131 0.304) 15.068 2.024 ( 3.050 -2.486 4.786) 6.196 2.024 ( 3.050 2.486 4.786) 6.196 2.128 ( 2.603 -2.258 2.066) 4.018 2.128 ( 2.603 2.258 2.066) 4.018 2.214 ( 11.877 -4.533 0.583) 12.726 2.214 ( 11.877 4.533 0.583) 12.726 2.414 ( 0.462 -5.464 -2.180) 5.901 2.414 ( 0.462 5.464 -2.180) 5.901 2.504 ( 3.100 -2.835 -0.891) 4.295 2.504 ( 3.100 2.835 -0.891) 4.295 2.717 ( 4.200 -7.619 -5.441) 10.262 2.717 ( 4.200 7.619 -5.441) 10.262 2.910 ( -5.679 -6.630 0.768) 8.763 2.910 ( -5.679 6.630 0.768) 8.763 3.128 ( -11.296 -12.033 -0.553) 16.514 3.128 ( -11.296 12.033 -0.553) 16.514 3.253 ( 1.176 -1.833 -1.825) 2.842 3.253 ( 1.176 1.833 -1.825) 2.842 3.350 ( 0.109 -5.613 -0.753) 5.664 3.350 ( 0.109 5.613 -0.753) 5.664 3.502 ( 2.560 -8.543 4.556) 10.015 3.502 ( 2.560 8.543 4.556) 10.015 3.781 ( -1.695 -4.196 -0.384) 4.542 3.781 ( -1.695 4.196 -0.384) 4.542 3.972 ( 1.944 -3.772 1.261) 4.427 3.972 ( 1.944 3.772 1.261) 4.427 4.356 ( 3.167 -1.051 -1.550) 3.679 4.356 ( 3.167 1.051 -1.550) 3.679 4.445 ( 1.854 -2.538 -0.953) 3.284 4.445 ( 1.854 2.538 -0.953) 3.284 4.664 ( -0.462 -1.968 -1.076) 2.290 4.664 ( -0.462 1.968 -1.076) 2.290 4.791 ( 1.116 -2.453 -1.575) 3.121 4.791 ( 1.116 2.453 -1.575) 3.121 4.972 ( -0.027 -1.989 0.211) 2.000 4.972 ( -0.027 1.989 0.211) 2.000 5.172 ( 0.032 -0.863 -1.483) 1.716 5.172 ( 0.032 0.863 -1.483) 1.716 5.338 ( -1.278 -1.318 1.598) 2.434 5.338 ( -1.278 1.318 1.598) 2.434 5.456 ( -1.789 -1.020 3.679) 4.216 5.456 ( -1.789 1.020 3.679) 4.216 5.621 ( 1.558 -2.997 0.939) 3.506 5.621 ( 1.558 2.997 0.939) 3.506 5.762 ( -2.018 -2.173 -3.389) 4.503 5.762 ( -2.018 2.173 -3.389) 4.503 5.942 ( -1.295 -1.166 0.057) 1.743 5.942 ( -1.295 1.166 0.057) 1.743 6.214 ( 0.982 -0.576 0.679) 1.325 6.214 ( 0.982 0.576 0.679) 1.325 6.412 ( 0.826 -1.745 -0.844) 2.107 6.412 ( 0.826 1.745 -0.844) 2.107 6.537 ( 2.193 -1.287 -1.022) 2.741 6.537 ( 2.193 1.287 -1.022) 2.741 6.700 ( 0.238 -1.867 1.396) 2.344 6.700 ( 0.238 1.867 1.396) 2.344 6.831 ( 1.676 -0.510 3.030) 3.500 6.831 ( 1.676 0.510 3.030) 3.500 7.004 ( -1.114 -0.646 0.652) 1.443 7.004 ( -1.114 0.646 0.652) 1.443 7.196 ( -0.479 -2.739 1.785) 3.304 7.196 ( -0.479 2.739 1.785) 3.304 7.335 ( -0.940 -0.804 0.111) 1.242 7.335 ( -0.940 0.804 0.111) 1.242 7.461 ( -0.253 -4.281 -2.311) 4.872 7.461 ( -0.253 4.281 -2.311) 4.872 7.718 ( 1.893 -1.147 0.672) 2.314 7.718 ( 1.893 1.147 0.672) 2.314 8.033 ( -1.091 -2.666 -2.241) 3.649 8.033 ( -1.091 2.666 -2.241) 3.649 8.114 ( -0.748 -3.737 -1.391) 4.057 8.114 ( -0.748 3.737 -1.391) 4.057 8.454 ( 0.187 -2.112 1.584) 2.647 8.454 ( 0.187 2.112 1.584) 2.647 8.800 ( 3.052 -4.784 -2.071) 6.041 8.800 ( 3.052 4.784 -2.071) 6.041 11.656 ( 0.407 -1.007 1.131) 1.569 11.656 ( 0.407 1.007 1.131) 1.569 11.725 ( -0.232 -0.223 -0.497) 0.592 11.725 ( -0.232 0.223 -0.497) 0.592 13.978 ( -0.327 -1.801 0.885) 2.033 13.978 ( -0.327 1.801 0.885) 2.033 14.266 ( 0.603 -3.342 1.612) 3.760 14.266 ( 0.603 3.342 1.612) 3.760 15.481 ( -0.255 -4.220 -2.772) 5.055 15.481 ( -0.255 4.220 -2.772) 5.055 15.755 ( -1.454 -4.451 1.552) 4.933 15.755 ( -1.454 4.451 1.552) 4.933 16.423 ( 0.872 -2.993 -3.262) 4.512 16.423 ( 0.872 2.993 -3.262) 4.512 16.637 ( 1.139 -5.498 0.284) 5.622 16.637 ( 1.139 5.498 0.284) 5.622 ======================= Grid point 59 (32/75) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -10.028 -12.246 8.315) 17.878 1.306 ( -10.028 12.246 8.315) 17.878 1.416 ( -14.357 -13.232 5.525) 20.291 1.416 ( -14.357 13.232 5.525) 20.291 2.074 ( -0.135 -3.225 4.252) 5.339 2.074 ( -0.135 3.225 4.252) 5.339 2.185 ( 2.287 -3.605 2.164) 4.786 2.185 ( 2.287 3.605 2.164) 4.786 2.318 ( 0.996 -2.481 -5.627) 6.230 2.318 ( 0.996 2.481 -5.627) 6.230 2.429 ( -1.272 -7.274 -1.523) 7.539 2.429 ( -1.272 7.274 -1.523) 7.539 2.570 ( 0.023 -9.366 2.486) 9.690 2.570 ( 0.023 9.366 2.486) 9.690 2.705 ( -4.673 -1.184 -1.458) 5.036 2.705 ( -4.673 1.184 -1.458) 5.036 2.853 ( 3.324 -2.147 2.073) 4.467 2.853 ( 3.324 2.147 2.073) 4.467 2.992 ( 0.013 -3.380 -2.617) 4.275 2.992 ( 0.013 3.380 -2.617) 4.275 3.289 ( 2.615 -3.195 -1.276) 4.322 3.289 ( 2.615 3.195 -1.276) 4.322 3.354 ( 1.079 -2.048 -1.340) 2.675 3.354 ( 1.079 2.048 -1.340) 2.675 3.558 ( 1.711 -6.577 1.875) 7.050 3.558 ( 1.711 6.577 1.875) 7.050 3.751 ( -1.338 -1.618 0.062) 2.101 3.751 ( -1.338 1.618 0.062) 2.101 4.030 ( 3.601 -5.689 1.295) 6.856 4.030 ( 3.601 5.689 1.295) 6.856 4.362 ( -1.750 -1.434 -1.408) 2.665 4.362 ( -1.750 1.434 -1.408) 2.665 4.495 ( 1.562 -5.003 -1.496) 5.450 4.495 ( 1.562 5.003 -1.496) 5.450 4.659 ( 1.671 -2.854 -1.800) 3.765 4.659 ( 1.671 2.854 -1.800) 3.765 4.817 ( 1.554 -2.705 -0.008) 3.120 4.817 ( 1.554 2.705 -0.008) 3.120 4.962 ( -0.860 -1.262 -0.785) 1.717 4.962 ( -0.860 1.262 -0.785) 1.717 5.171 ( 0.879 -0.788 -3.357) 3.559 5.171 ( 0.879 0.788 -3.357) 3.559 5.326 ( -1.153 -1.958 4.503) 5.043 5.326 ( -1.153 1.958 4.503) 5.043 5.439 ( -0.528 -0.270 1.300) 1.429 5.439 ( -0.528 0.270 1.300) 1.429 5.668 ( 2.315 -1.312 1.823) 3.225 5.668 ( 2.315 1.312 1.823) 3.225 5.730 ( -0.406 -3.806 0.335) 3.842 5.730 ( -0.406 3.806 0.335) 3.842 5.906 ( -1.690 -0.629 -1.588) 2.403 5.906 ( -1.690 0.629 -1.588) 2.403 6.241 ( 1.194 -1.791 0.662) 2.251 6.241 ( 1.194 1.791 0.662) 2.251 6.405 ( 0.198 -0.646 -1.241) 1.413 6.405 ( 0.198 0.646 -1.241) 1.413 6.580 ( 1.840 -3.324 -0.373) 3.817 6.580 ( 1.840 3.324 -0.373) 3.817 6.709 ( -0.320 -1.939 0.788) 2.118 6.709 ( -0.320 1.939 0.788) 2.118 6.908 ( 4.510 -0.510 1.791) 4.879 6.908 ( 4.510 0.510 1.791) 4.879 6.980 ( -1.148 -0.947 2.359) 2.789 6.980 ( -1.148 0.947 2.359) 2.789 7.165 ( -2.642 -2.164 0.608) 3.469 7.165 ( -2.642 2.164 0.608) 3.469 7.301 ( -3.149 -2.042 0.456) 3.780 7.301 ( -3.149 2.042 0.456) 3.780 7.460 ( 0.635 -4.611 -1.643) 4.936 7.460 ( 0.635 4.611 -1.643) 4.936 7.745 ( 0.389 -1.561 0.805) 1.799 7.745 ( 0.389 1.561 0.805) 1.799 8.011 ( -0.050 -2.351 -2.430) 3.382 8.011 ( -0.050 2.351 -2.430) 3.382 8.099 ( -0.111 -4.252 -1.768) 4.606 8.099 ( -0.111 4.252 -1.768) 4.606 8.459 ( -0.415 -4.986 1.460) 5.212 8.459 ( -0.415 4.986 1.460) 5.212 8.885 ( 6.773 -5.159 -3.114) 9.066 8.885 ( 6.773 5.159 -3.114) 9.066 11.673 ( 0.852 -0.823 1.218) 1.699 11.673 ( 0.852 0.823 1.218) 1.699 11.721 ( -0.029 -0.167 -0.618) 0.640 11.721 ( -0.029 0.167 -0.618) 0.640 13.975 ( -0.160 -1.254 0.629) 1.412 13.975 ( -0.160 1.254 0.629) 1.412 14.264 ( -1.790 -4.890 2.097) 5.613 14.264 ( -1.790 4.890 2.097) 5.613 15.466 ( -0.163 -3.408 -2.091) 4.002 15.466 ( -0.163 3.408 -2.091) 4.002 15.722 ( -2.518 -3.472 0.784) 4.360 15.722 ( -2.518 3.472 0.784) 4.360 16.441 ( 2.326 -2.137 -3.682) 4.851 16.441 ( 2.326 2.137 -3.682) 4.851 16.672 ( 2.565 -4.707 0.188) 5.364 16.672 ( 2.565 4.707 0.188) 5.364 ======================= Grid point 61 (33/75) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.139 -16.604 11.618) 21.838 1.174 ( -8.139 16.604 11.618) 21.838 1.248 ( -5.416 -22.556 9.201) 24.955 1.248 ( -5.416 22.556 9.201) 24.955 2.039 ( -5.713 -10.172 4.119) 12.372 2.039 ( -5.713 10.172 4.119) 12.372 2.174 ( -6.841 -15.257 0.562) 16.730 2.174 ( -6.841 15.257 0.562) 16.730 2.272 ( -0.336 -2.106 -1.187) 2.441 2.272 ( -0.336 2.106 -1.187) 2.441 2.335 ( -1.029 -3.398 -6.246) 7.185 2.335 ( -1.029 3.398 -6.246) 7.185 2.568 ( -0.629 -4.293 4.342) 6.139 2.568 ( -0.629 4.293 4.342) 6.139 2.706 ( 2.118 -4.066 -2.784) 5.364 2.706 ( 2.118 4.066 -2.784) 5.364 2.904 ( 1.011 -2.393 4.102) 4.855 2.904 ( 1.011 2.393 4.102) 4.855 3.074 ( 6.146 -7.065 -1.921) 9.559 3.074 ( 6.146 7.065 -1.921) 9.559 3.306 ( 0.128 -4.557 -2.066) 5.005 3.306 ( 0.128 4.557 -2.066) 5.005 3.407 ( 4.497 -2.987 -1.112) 5.512 3.407 ( 4.497 2.987 -1.112) 5.512 3.598 ( 2.360 -4.329 1.506) 5.155 3.598 ( 2.360 4.329 1.506) 5.155 3.723 ( -1.968 -0.651 0.675) 2.180 3.723 ( -1.968 0.651 0.675) 2.180 4.101 ( 2.760 -5.088 0.528) 5.813 4.101 ( 2.760 5.088 0.528) 5.813 4.283 ( -5.364 -1.547 -1.592) 5.805 4.283 ( -5.364 1.547 -1.592) 5.805 4.492 ( 0.171 -2.945 -1.515) 3.316 4.492 ( 0.171 2.945 -1.515) 3.316 4.700 ( 1.899 -2.288 -1.137) 3.183 4.700 ( 1.899 2.288 -1.137) 3.183 4.840 ( 0.707 -2.261 0.333) 2.393 4.840 ( 0.707 2.261 0.333) 2.393 4.939 ( -0.908 -0.513 -1.825) 2.102 4.939 ( -0.908 0.513 -1.825) 2.102 5.176 ( 1.019 -1.751 -4.306) 4.758 5.176 ( 1.019 1.751 -4.306) 4.758 5.322 ( -1.066 -4.161 3.386) 5.470 5.322 ( -1.066 4.161 3.386) 5.470 5.453 ( 1.155 -0.991 2.186) 2.663 5.453 ( 1.155 0.991 2.186) 2.663 5.711 ( 1.184 -2.710 2.250) 3.716 5.711 ( 1.184 2.710 2.250) 3.716 5.744 ( 0.594 -3.834 3.552) 5.260 5.744 ( 0.594 3.834 3.552) 5.260 5.889 ( 0.942 -0.914 -1.162) 1.753 5.889 ( 0.942 0.914 -1.162) 1.753 6.251 ( -0.162 -2.534 0.328) 2.560 6.251 ( -0.162 2.534 0.328) 2.560 6.446 ( 4.378 -1.986 -0.387) 4.823 6.446 ( 4.378 1.986 -0.387) 4.823 6.595 ( -0.253 -3.671 -0.952) 3.801 6.595 ( -0.253 3.671 -0.952) 3.801 6.676 ( -3.288 -1.661 0.737) 3.756 6.676 ( -3.288 1.661 0.737) 3.756 6.955 ( 0.806 -2.452 1.569) 3.020 6.955 ( 0.806 2.452 1.569) 3.020 7.014 ( 1.812 -1.404 -0.008) 2.293 7.014 ( 1.812 1.404 -0.008) 2.293 7.117 ( -2.094 -1.750 -0.284) 2.743 7.117 ( -2.094 1.750 -0.284) 2.743 7.238 ( -2.893 -5.069 1.531) 6.034 7.238 ( -2.893 5.069 1.531) 6.034 7.452 ( -1.047 -3.438 -0.865) 3.696 7.452 ( -1.047 3.438 -0.865) 3.696 7.739 ( -0.955 -0.415 -0.139) 1.050 7.739 ( -0.955 0.415 -0.139) 1.050 8.012 ( 0.742 -1.317 -1.166) 1.909 8.012 ( 0.742 1.317 -1.166) 1.909 8.105 ( 1.447 -2.824 -1.419) 3.476 8.105 ( 1.447 2.824 -1.419) 3.476 8.449 ( -1.002 -7.124 0.589) 7.218 8.449 ( -1.002 7.124 0.589) 7.218 9.016 ( 7.703 -4.799 -5.525) 10.625 9.016 ( 7.703 4.799 -5.525) 10.625 11.693 ( 0.598 -0.313 0.925) 1.145 11.693 ( 0.598 0.313 0.925) 1.145 11.721 ( 0.303 -0.621 -0.330) 0.766 11.721 ( 0.303 0.621 -0.330) 0.766 13.981 ( 0.672 -0.376 0.323) 0.835 13.981 ( 0.672 0.376 0.323) 0.835 14.204 ( -5.138 -5.009 1.215) 7.278 14.204 ( -5.138 5.009 1.215) 7.278 15.469 ( 1.176 -1.977 -0.270) 2.316 15.469 ( 1.176 1.977 -0.270) 2.316 15.670 ( -2.800 -2.464 0.649) 3.785 15.670 ( -2.800 2.464 0.649) 3.785 16.475 ( 2.428 -1.762 -3.812) 4.851 16.475 ( 2.428 1.762 -3.812) 4.851 16.731 ( 3.285 -3.814 -1.130) 5.159 16.731 ( 3.285 3.814 -1.130) 5.159 ======================= Grid point 70 (34/75) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 2.629 0.000 22.629) 22.781 0.911 ( -1.443 0.000 23.151) 23.196 1.683 ( -4.929 0.000 35.036) 35.381 1.741 ( 4.569 0.000 0.194) 4.573 1.825 ( -2.573 0.000 -6.638) 7.119 1.956 ( -3.784 0.000 0.585) 3.829 1.968 ( -1.081 0.000 3.886) 4.033 2.153 ( 1.850 0.000 -3.258) 3.747 2.175 ( 0.049 0.000 -2.860) 2.861 2.290 ( -0.623 0.000 1.027) 1.202 2.312 ( -3.021 0.000 4.667) 5.559 2.325 ( 0.554 0.000 -4.089) 4.126 2.413 ( -2.851 0.000 -0.899) 2.990 2.615 ( -1.891 0.000 -7.313) 7.554 2.738 ( -3.359 0.000 -3.834) 5.097 2.746 ( -1.825 0.000 1.096) 2.129 2.928 ( 2.344 0.000 -1.874) 3.001 3.037 ( -3.998 0.000 1.729) 4.356 3.094 ( 6.120 0.000 -2.498) 6.610 3.132 ( 0.418 0.000 -2.996) 3.025 3.351 ( 1.658 0.000 2.585) 3.072 3.432 ( 3.409 0.000 -5.662) 6.610 3.504 ( 7.486 0.000 5.014) 9.010 3.585 ( -1.134 0.000 2.610) 2.845 3.720 ( 0.340 0.000 0.310) 0.460 3.743 ( -1.693 0.000 0.307) 1.720 3.861 ( -5.785 0.000 7.186) 9.225 3.919 ( -2.051 0.000 -0.098) 2.053 4.017 ( 10.357 0.000 4.250) 11.195 4.028 ( -0.244 0.000 -7.113) 7.117 4.198 ( -1.807 0.000 2.499) 3.084 4.269 ( -1.643 0.000 -1.693) 2.360 4.442 ( 1.923 0.000 -1.050) 2.191 4.518 ( -2.679 0.000 2.885) 3.937 4.524 ( -1.730 0.000 -2.523) 3.060 4.707 ( 0.645 0.000 -1.142) 1.312 4.806 ( -3.443 0.000 -3.754) 5.094 4.811 ( 2.874 0.000 -2.680) 3.930 4.890 ( -3.007 0.000 0.125) 3.009 4.911 ( -0.414 0.000 0.786) 0.888 5.065 ( 1.389 0.000 -4.890) 5.084 5.095 ( 1.469 0.000 -7.749) 7.887 5.193 ( -2.356 0.000 2.204) 3.226 5.332 ( -0.576 0.000 -1.936) 2.020 5.471 ( -2.374 0.000 3.467) 4.202 5.553 ( 1.564 0.000 -0.256) 1.585 5.652 ( -2.407 0.000 0.767) 2.526 5.737 ( 2.589 0.000 3.325) 4.214 5.829 ( -0.470 0.000 -1.381) 1.459 5.889 ( 1.762 0.000 -5.051) 5.350 6.039 ( 2.746 0.000 8.597) 9.025 6.142 ( -2.484 0.000 3.407) 4.216 6.211 ( 0.070 0.000 1.169) 1.171 6.335 ( 5.068 0.000 3.366) 6.084 6.405 ( 0.207 0.000 -3.590) 3.596 6.504 ( 0.271 0.000 -2.938) 2.950 6.602 ( 2.452 0.000 -0.936) 2.624 6.615 ( 3.594 0.000 -1.499) 3.894 6.658 ( -9.466 0.000 -0.914) 9.510 6.707 ( -1.940 0.000 -2.211) 2.941 6.926 ( -1.658 0.000 1.075) 1.976 6.944 ( -3.136 0.000 1.360) 3.419 7.027 ( 6.162 0.000 0.179) 6.164 7.046 ( -1.316 0.000 3.081) 3.350 7.096 ( -3.671 0.000 0.256) 3.680 7.169 ( 11.990 0.000 1.060) 12.036 7.178 ( 1.401 0.000 -1.373) 1.961 7.210 ( -2.342 0.000 -1.702) 2.895 7.513 ( -0.800 0.000 -0.335) 0.868 7.592 ( 1.025 0.000 -3.061) 3.228 7.696 ( 3.453 0.000 -0.617) 3.508 7.734 ( -9.777 0.000 -3.057) 10.244 7.801 ( 0.046 0.000 -0.264) 0.268 7.842 ( -1.412 0.000 -0.754) 1.601 7.963 ( 1.440 0.000 2.405) 2.803 7.976 ( 1.483 0.000 1.588) 2.172 8.588 ( 0.389 0.000 -1.706) 1.749 8.640 ( -0.191 0.000 -2.795) 2.801 8.755 ( 0.761 0.000 0.428) 0.873 8.774 ( -1.514 0.000 0.684) 1.661 11.695 ( -0.446 0.000 0.537) 0.698 11.705 ( -0.660 0.000 0.684) 0.951 11.732 ( 1.210 0.000 0.652) 1.375 11.743 ( 0.003 0.000 -0.182) 0.182 14.011 ( -0.369 0.000 1.086) 1.147 14.011 ( 1.560 0.000 1.180) 1.956 14.081 ( 0.174 0.000 0.285) 0.334 14.138 ( -10.753 0.000 -1.676) 10.883 15.426 ( 0.826 0.000 -0.160) 0.842 15.568 ( 0.013 0.000 -4.411) 4.411 15.639 ( -1.791 0.000 5.528) 5.811 15.936 ( 12.683 0.000 -3.504) 13.158 16.251 ( 0.681 0.000 1.611) 1.749 16.366 ( 0.197 0.000 -2.457) 2.465 16.690 ( -1.090 0.000 -0.169) 1.103 16.756 ( -1.814 0.000 -2.002) 2.702 ======================= Grid point 71 (35/75) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 12.288 0.000 17.464) 21.353 1.131 ( 11.147 0.000 17.929) 21.112 1.757 ( 2.508 0.000 -0.827) 2.641 1.799 ( -0.006 0.000 11.671) 11.671 1.817 ( 2.498 0.000 -4.060) 4.767 1.916 ( 1.158 0.000 4.465) 4.613 1.985 ( -0.933 0.000 6.792) 6.856 2.179 ( 0.419 0.000 -3.308) 3.335 2.188 ( 3.288 0.000 -4.948) 5.941 2.248 ( -2.962 0.000 -1.278) 3.226 2.272 ( -2.520 0.000 4.755) 5.382 2.332 ( 2.684 0.000 6.031) 6.602 2.358 ( -2.476 0.000 2.767) 3.714 2.554 ( -2.100 0.000 -3.919) 4.446 2.630 ( -5.361 0.000 -2.197) 5.794 2.690 ( -4.256 0.000 1.102) 4.397 2.920 ( -7.384 0.000 -0.215) 7.387 2.936 ( -0.445 0.000 -3.126) 3.157 3.132 ( 0.715 0.000 -4.514) 4.571 3.237 ( 7.633 0.000 0.072) 7.634 3.353 ( -2.007 0.000 1.332) 2.409 3.463 ( 1.284 0.000 -5.065) 5.226 3.568 ( -2.378 0.000 1.980) 3.094 3.607 ( 1.359 0.000 0.959) 1.663 3.689 ( -3.038 0.000 2.330) 3.829 3.705 ( -2.298 0.000 0.389) 2.331 3.767 ( -5.950 0.000 2.262) 6.366 3.868 ( -1.317 0.000 -0.564) 1.433 4.054 ( 4.371 0.000 -5.695) 7.179 4.159 ( 0.124 0.000 5.357) 5.358 4.194 ( 0.612 0.000 2.484) 2.558 4.278 ( 3.983 0.000 -1.110) 4.135 4.418 ( -3.214 0.000 -1.067) 3.386 4.488 ( -0.317 0.000 -2.655) 2.674 4.503 ( 0.205 0.000 1.882) 1.893 4.691 ( -2.551 0.000 -0.648) 2.632 4.743 ( -2.384 0.000 -1.714) 2.936 4.841 ( -0.103 0.000 0.280) 0.299 4.877 ( 3.692 0.000 -3.340) 4.978 4.903 ( -0.774 0.000 2.400) 2.521 5.071 ( 1.494 0.000 -6.818) 6.980 5.107 ( 2.355 0.000 -5.820) 6.278 5.206 ( 2.395 0.000 2.578) 3.519 5.331 ( 0.754 0.000 -0.221) 0.785 5.463 ( 0.356 0.000 3.094) 3.114 5.586 ( -1.536 0.000 2.436) 2.880 5.614 ( 1.959 0.000 -1.095) 2.244 5.781 ( -3.089 0.000 -0.367) 3.111 5.792 ( 1.365 0.000 2.405) 2.765 5.892 ( 0.160 0.000 -5.579) 5.581 6.064 ( -3.560 0.000 6.249) 7.192 6.095 ( -3.529 0.000 4.903) 6.041 6.224 ( 0.854 0.000 1.751) 1.948 6.378 ( -1.253 0.000 -3.345) 3.572 6.405 ( -1.921 0.000 2.721) 3.331 6.447 ( -5.716 0.000 -2.162) 6.112 6.468 ( -6.115 0.000 -2.539) 6.621 6.499 ( -3.260 0.000 -4.469) 5.532 6.747 ( 8.192 0.000 1.387) 8.308 6.795 ( 5.670 0.000 0.146) 5.672 6.854 ( -5.474 0.000 -0.192) 5.477 6.893 ( -1.494 0.000 1.431) 2.069 7.003 ( -2.723 0.000 1.058) 2.922 7.083 ( 1.267 0.000 1.149) 1.711 7.094 ( -1.281 0.000 2.264) 2.601 7.169 ( 1.941 0.000 -2.164) 2.907 7.216 ( 2.862 0.000 -1.114) 3.071 7.289 ( -2.185 0.000 0.721) 2.301 7.500 ( -2.164 0.000 0.175) 2.171 7.578 ( -0.818 0.000 -2.470) 2.601 7.613 ( -0.181 0.000 -3.812) 3.816 7.766 ( 2.645 0.000 1.973) 3.300 7.811 ( 0.602 0.000 -0.137) 0.617 7.854 ( 4.303 0.000 -0.316) 4.315 8.006 ( 2.450 0.000 0.261) 2.464 8.014 ( 1.601 0.000 0.633) 1.721 8.595 ( -0.912 0.000 -1.431) 1.697 8.624 ( -0.191 0.000 -2.484) 2.491 8.732 ( -1.764 0.000 0.363) 1.801 8.749 ( -1.503 0.000 0.708) 1.662 11.685 ( -0.918 0.000 0.904) 1.288 11.693 ( -0.719 0.000 0.700) 1.004 11.738 ( -0.444 0.000 -0.500) 0.669 11.749 ( 0.317 0.000 0.412) 0.519 13.993 ( -1.282 0.000 0.947) 1.594 14.024 ( -1.580 0.000 1.334) 2.067 14.082 ( 4.737 0.000 0.508) 4.765 14.117 ( 2.427 0.000 1.803) 3.023 15.429 ( -0.468 0.000 -0.115) 0.482 15.544 ( -0.337 0.000 -4.614) 4.626 15.640 ( -0.174 0.000 4.683) 4.686 16.079 ( 4.083 0.000 -8.562) 9.486 16.271 ( 0.745 0.000 1.275) 1.476 16.361 ( 0.211 0.000 -2.499) 2.508 16.652 ( -2.555 0.000 0.051) 2.556 16.712 ( -1.581 0.000 -0.296) 1.608 ======================= Grid point 72 (36/75) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 9.229 0.000 11.176) 14.494 1.434 ( 14.867 0.000 9.392) 17.585 1.807 ( 3.709 0.000 -4.578) 5.892 1.856 ( 4.756 0.000 -4.309) 6.418 1.856 ( 0.977 0.000 3.996) 4.114 1.912 ( -4.763 0.000 5.269) 7.102 1.983 ( 1.868 0.000 3.250) 3.749 2.133 ( -5.390 0.000 0.199) 5.394 2.205 ( 2.128 0.000 -2.424) 3.225 2.208 ( -0.870 0.000 -4.952) 5.028 2.259 ( 0.739 0.000 3.168) 3.253 2.382 ( 2.315 0.000 2.805) 3.637 2.495 ( 1.053 0.000 -3.361) 3.523 2.506 ( -1.154 0.000 -1.808) 2.145 2.616 ( 11.128 0.000 16.720) 20.085 2.628 ( -1.624 0.000 2.875) 3.302 2.755 ( -9.974 0.000 -0.620) 9.994 2.883 ( -3.641 0.000 -4.673) 5.924 3.138 ( 1.881 0.000 -4.511) 4.887 3.273 ( -4.552 0.000 -0.504) 4.580 3.336 ( -1.701 0.000 -0.290) 1.725 3.424 ( -4.433 0.000 -3.220) 5.479 3.502 ( -2.771 0.000 3.564) 4.515 3.552 ( -4.509 0.000 -2.616) 5.213 3.612 ( -6.857 0.000 0.131) 6.858 3.709 ( 1.922 0.000 1.319) 2.331 3.724 ( 1.690 0.000 4.336) 4.654 3.886 ( 2.499 0.000 -0.504) 2.549 4.099 ( 2.482 0.000 -4.237) 4.911 4.131 ( -2.935 0.000 2.567) 3.899 4.245 ( 3.703 0.000 -0.749) 3.778 4.256 ( -6.630 0.000 -0.102) 6.631 4.403 ( 1.351 0.000 2.330) 2.693 4.479 ( 0.204 0.000 -4.076) 4.081 4.534 ( 2.513 0.000 -2.035) 3.234 4.594 ( -6.790 0.000 -0.520) 6.810 4.703 ( -1.163 0.000 0.024) 1.163 4.850 ( 0.474 0.000 1.166) 1.258 4.907 ( -0.153 0.000 3.719) 3.722 4.954 ( 5.020 0.000 -3.450) 6.091 5.085 ( 2.851 0.000 -6.608) 7.196 5.130 ( 1.835 0.000 -4.695) 5.041 5.261 ( 1.663 0.000 1.637) 2.333 5.357 ( 1.684 0.000 1.961) 2.585 5.505 ( 2.658 0.000 2.828) 3.881 5.550 ( -1.751 0.000 -0.038) 1.752 5.671 ( 2.257 0.000 1.074) 2.500 5.719 ( -4.069 0.000 2.615) 4.837 5.805 ( 0.177 0.000 -1.102) 1.116 5.858 ( -1.069 0.000 -5.679) 5.779 5.974 ( -6.780 0.000 4.030) 7.887 6.043 ( -3.497 0.000 2.809) 4.485 6.251 ( 0.127 0.000 2.820) 2.823 6.288 ( -3.896 0.000 -1.148) 4.062 6.303 ( -7.109 0.000 -0.324) 7.116 6.359 ( 0.977 0.000 -3.286) 3.428 6.447 ( -0.902 0.000 0.741) 1.167 6.492 ( 2.488 0.000 -4.077) 4.776 6.753 ( -4.143 0.000 -0.819) 4.223 6.795 ( -2.612 0.000 0.659) 2.694 6.886 ( 4.040 0.000 3.012) 5.039 6.969 ( 4.799 0.000 0.863) 4.876 6.979 ( 0.239 0.000 1.445) 1.465 7.025 ( -4.904 0.000 3.864) 6.243 7.131 ( 3.453 0.000 -0.067) 3.453 7.225 ( -0.094 0.000 2.671) 2.673 7.255 ( 2.888 0.000 -0.699) 2.972 7.263 ( 2.053 0.000 -1.062) 2.311 7.478 ( -1.189 0.000 0.798) 1.432 7.551 ( -0.968 0.000 -2.078) 2.292 7.572 ( -1.404 0.000 -4.547) 4.759 7.760 ( -2.941 0.000 2.407) 3.801 7.851 ( 2.486 0.000 0.376) 2.514 7.954 ( 4.185 0.000 -1.376) 4.406 8.040 ( 1.293 0.000 -0.157) 1.302 8.045 ( 1.607 0.000 -1.634) 2.292 8.537 ( -3.130 0.000 -0.587) 3.184 8.619 ( 0.505 0.000 -1.130) 1.238 8.711 ( -2.499 0.000 0.437) 2.537 8.732 ( 1.282 0.000 -1.171) 1.736 11.669 ( -1.098 0.000 1.272) 1.680 11.686 ( -0.243 0.000 0.651) 0.695 11.725 ( -0.618 0.000 -0.594) 0.857 11.748 ( -0.532 0.000 0.063) 0.536 13.979 ( -0.668 0.000 1.446) 1.593 14.030 ( 1.055 0.000 0.261) 1.087 14.167 ( 1.567 0.000 2.992) 3.377 14.187 ( 5.622 0.000 0.221) 5.627 15.413 ( -1.032 0.000 -0.094) 1.036 15.525 ( 0.362 0.000 -5.174) 5.186 15.662 ( 0.527 0.000 3.781) 3.817 16.055 ( -2.567 0.000 -5.984) 6.511 16.283 ( -0.026 0.000 0.385) 0.386 16.353 ( 0.020 0.000 -2.428) 2.428 16.608 ( -1.904 0.000 0.857) 2.088 16.702 ( 0.551 0.000 -1.368) 1.475 ======================= Grid point 73 (37/75) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.844 0.000 6.260) 6.526 1.700 ( 0.335 0.000 -1.839) 1.869 1.708 ( -1.284 0.000 10.864) 10.939 1.907 ( -0.653 0.000 0.076) 0.657 1.913 ( 5.188 0.000 0.749) 5.242 2.006 ( -6.284 0.000 -1.720) 6.515 2.013 ( 8.249 0.000 4.039) 9.185 2.053 ( 6.612 0.000 0.890) 6.672 2.179 ( 0.798 0.000 -3.360) 3.453 2.276 ( -0.202 0.000 0.453) 0.496 2.299 ( 6.541 0.000 -1.981) 6.834 2.391 ( -2.051 0.000 2.149) 2.970 2.449 ( -0.777 0.000 -6.013) 6.063 2.530 ( -2.176 0.000 2.988) 3.696 2.557 ( -2.665 0.000 -7.273) 7.746 2.696 ( 6.405 0.000 7.597) 9.937 2.771 ( -5.624 0.000 -5.121) 7.607 2.959 ( 13.388 0.000 11.462) 17.625 3.100 ( -13.705 0.000 1.095) 13.749 3.160 ( 1.272 0.000 -2.674) 2.961 3.254 ( -3.882 0.000 0.653) 3.936 3.300 ( -5.593 0.000 -0.665) 5.632 3.459 ( -6.253 0.000 -2.708) 6.814 3.489 ( -1.874 0.000 -2.178) 2.873 3.513 ( -0.784 0.000 2.309) 2.438 3.736 ( 0.420 0.000 -0.858) 0.955 3.817 ( 4.563 0.000 7.665) 8.920 3.919 ( 0.392 0.000 -0.539) 0.667 4.105 ( -2.255 0.000 0.060) 2.256 4.127 ( -3.467 0.000 2.164) 4.087 4.135 ( 2.996 0.000 -4.055) 5.041 4.303 ( 2.892 0.000 -3.230) 4.336 4.418 ( -0.732 0.000 0.851) 1.122 4.441 ( -3.276 0.000 -3.685) 4.931 4.501 ( -0.483 0.000 -0.897) 1.019 4.559 ( 1.073 0.000 -3.703) 3.855 4.706 ( 1.229 0.000 1.481) 1.925 4.850 ( -0.997 0.000 0.177) 1.012 4.916 ( -0.638 0.000 3.959) 4.010 5.021 ( 2.922 0.000 -2.348) 3.749 5.121 ( 3.040 0.000 -5.547) 6.325 5.134 ( 0.255 0.000 -4.136) 4.143 5.277 ( 0.006 0.000 1.186) 1.186 5.403 ( 1.662 0.000 2.572) 3.062 5.533 ( 0.350 0.000 1.007) 1.066 5.554 ( -0.495 0.000 3.379) 3.415 5.654 ( -3.454 0.000 5.476) 6.474 5.664 ( -2.185 0.000 -2.451) 3.283 5.829 ( 0.879 0.000 -5.323) 5.395 5.831 ( 2.859 0.000 0.287) 2.873 5.866 ( -6.051 0.000 1.739) 6.297 5.984 ( -3.314 0.000 0.357) 3.333 6.199 ( -2.909 0.000 -0.134) 2.912 6.220 ( -1.002 0.000 0.499) 1.120 6.307 ( 2.337 0.000 0.875) 2.495 6.398 ( 4.009 0.000 -2.928) 4.964 6.418 ( -2.056 0.000 -0.067) 2.057 6.534 ( 2.514 0.000 -2.674) 3.670 6.708 ( -0.217 0.000 0.230) 0.316 6.762 ( -1.280 0.000 2.374) 2.696 6.913 ( -0.947 0.000 5.601) 5.681 6.923 ( -4.939 0.000 -1.096) 5.059 7.020 ( 1.688 0.000 0.549) 1.775 7.042 ( 0.398 0.000 3.666) 3.688 7.207 ( 4.237 0.000 -0.179) 4.241 7.254 ( 2.854 0.000 3.533) 4.542 7.273 ( -0.359 0.000 -1.806) 1.841 7.301 ( 0.119 0.000 -1.740) 1.744 7.436 ( -2.095 0.000 -1.106) 2.369 7.531 ( -0.334 0.000 -2.179) 2.205 7.590 ( 4.299 0.000 0.234) 4.305 7.705 ( -3.274 0.000 1.300) 3.523 7.885 ( 0.728 0.000 1.129) 1.343 7.978 ( -0.406 0.000 -1.143) 1.213 8.050 ( -0.731 0.000 -1.482) 1.652 8.050 ( -0.210 0.000 -2.422) 2.432 8.517 ( 1.440 0.000 0.129) 1.446 8.630 ( 0.357 0.000 -0.064) 0.363 8.667 ( -1.629 0.000 -0.291) 1.655 8.757 ( 1.837 0.000 -2.000) 2.716 11.657 ( -0.625 0.000 1.503) 1.628 11.690 ( 0.403 0.000 0.690) 0.799 11.712 ( -0.390 0.000 -0.516) 0.647 11.733 ( -0.897 0.000 -0.315) 0.951 13.976 ( -0.388 0.000 1.877) 1.916 14.049 ( 0.708 0.000 -0.345) 0.788 14.194 ( 0.008 0.000 3.191) 3.191 14.289 ( 5.015 0.000 0.406) 5.032 15.394 ( -0.797 0.000 -0.153) 0.812 15.516 ( 0.779 0.000 -5.867) 5.919 15.683 ( 0.109 0.000 3.506) 3.508 15.968 ( -4.294 0.000 -3.350) 5.446 16.272 ( -1.039 0.000 -0.271) 1.074 16.347 ( 0.427 0.000 -2.629) 2.663 16.597 ( 0.242 0.000 1.617) 1.635 16.713 ( 1.159 0.000 -2.342) 2.613 ======================= Grid point 74 (38/75) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -12.641 0.000 5.907) 13.953 1.492 ( -14.833 0.000 11.185) 18.577 1.828 ( 3.046 0.000 1.047) 3.221 1.854 ( -7.273 0.000 -2.485) 7.686 1.929 ( 2.542 0.000 2.443) 3.526 2.019 ( 5.024 0.000 -0.580) 5.057 2.172 ( 5.158 0.000 0.287) 5.166 2.208 ( 1.153 0.000 1.830) 2.163 2.221 ( 6.492 0.000 3.121) 7.203 2.282 ( 2.176 0.000 -1.929) 2.908 2.311 ( -3.175 0.000 -0.243) 3.184 2.340 ( -2.865 0.000 -1.894) 3.434 2.437 ( 1.732 0.000 -4.843) 5.143 2.488 ( 6.502 0.000 -6.387) 9.114 2.644 ( -8.407 0.000 -0.246) 8.410 2.662 ( 7.303 0.000 -3.248) 7.993 2.767 ( -15.611 0.000 5.759) 16.639 2.895 ( 10.269 0.000 9.537) 14.015 3.135 ( -4.413 0.000 2.199) 4.931 3.170 ( 3.377 0.000 2.570) 4.243 3.216 ( -1.130 0.000 -5.589) 5.702 3.264 ( 2.386 0.000 -0.209) 2.395 3.354 ( -1.968 0.000 -1.032) 2.222 3.453 ( -0.994 0.000 -1.723) 1.989 3.522 ( 1.009 0.000 5.653) 5.742 3.719 ( -1.054 0.000 -2.995) 3.175 3.892 ( -2.748 0.000 -1.136) 2.974 3.927 ( 3.019 0.000 9.515) 9.983 4.030 ( -2.442 0.000 2.173) 3.269 4.160 ( 1.040 0.000 -6.388) 6.472 4.173 ( 3.620 0.000 0.219) 3.627 4.329 ( 1.092 0.000 -4.380) 4.514 4.389 ( -1.863 0.000 -0.398) 1.905 4.395 ( 0.442 0.000 -0.872) 0.977 4.550 ( 5.814 0.000 -2.680) 6.402 4.558 ( 0.576 0.000 -2.940) 2.996 4.758 ( 3.240 0.000 2.776) 4.266 4.819 ( -1.504 0.000 -2.289) 2.739 4.912 ( -0.923 0.000 2.159) 2.348 5.042 ( -0.465 0.000 -0.107) 0.477 5.112 ( -0.072 0.000 -5.368) 5.368 5.141 ( 0.796 0.000 -5.284) 5.343 5.303 ( 2.518 0.000 3.206) 4.076 5.423 ( 0.251 0.000 -0.429) 0.498 5.499 ( -5.007 0.000 4.276) 6.584 5.577 ( 2.310 0.000 4.056) 4.667 5.627 ( -0.255 0.000 -1.090) 1.120 5.628 ( -2.454 0.000 4.438) 5.072 5.736 ( -7.470 0.000 -0.110) 7.471 5.862 ( 3.651 0.000 -3.215) 4.865 5.882 ( 1.304 0.000 1.697) 2.140 5.925 ( -2.397 0.000 -1.031) 2.609 6.205 ( 3.192 0.000 -0.149) 3.196 6.225 ( 0.791 0.000 1.042) 1.308 6.346 ( 0.974 0.000 -1.475) 1.767 6.385 ( -0.672 0.000 1.638) 1.771 6.466 ( 3.682 0.000 -4.381) 5.723 6.558 ( 1.899 0.000 -2.800) 3.383 6.744 ( 2.815 0.000 2.437) 3.723 6.766 ( 0.642 0.000 3.105) 3.171 6.817 ( -5.382 0.000 -2.711) 6.026 6.932 ( 0.903 0.000 6.226) 6.292 7.016 ( -2.088 0.000 0.468) 2.140 7.044 ( -1.044 0.000 3.491) 3.643 7.242 ( -1.731 0.000 -1.460) 2.265 7.244 ( -4.117 0.000 -2.815) 4.988 7.280 ( 2.641 0.000 0.640) 2.718 7.335 ( 3.221 0.000 1.207) 3.440 7.416 ( 0.455 0.000 1.484) 1.552 7.517 ( -0.174 0.000 -3.403) 3.407 7.654 ( -2.031 0.000 -0.457) 2.082 7.707 ( 6.760 0.000 1.032) 6.838 7.893 ( -0.293 0.000 2.182) 2.201 7.949 ( -2.204 0.000 -0.557) 2.274 8.004 ( -2.634 0.000 -2.163) 3.408 8.020 ( -2.082 0.000 -2.357) 3.145 8.578 ( 4.010 0.000 1.056) 4.147 8.617 ( -0.472 0.000 -1.590) 1.659 8.667 ( 0.943 0.000 0.390) 1.020 8.779 ( 1.389 0.000 -3.363) 3.638 11.659 ( 0.219 0.000 1.451) 1.467 11.705 ( 0.724 0.000 0.081) 0.729 11.708 ( 0.104 0.000 0.381) 0.395 11.715 ( -0.714 0.000 -0.497) 0.870 13.977 ( -0.274 0.000 1.939) 1.958 14.050 ( -0.415 0.000 -0.570) 0.705 14.192 ( -1.407 0.000 2.431) 2.809 14.383 ( 4.780 0.000 0.090) 4.781 15.383 ( -0.212 0.000 -0.070) 0.223 15.504 ( 0.216 0.000 -5.987) 5.991 15.691 ( -0.779 0.000 3.787) 3.867 15.876 ( -4.150 0.000 -1.988) 4.601 16.250 ( -1.087 0.000 0.135) 1.096 16.350 ( 0.951 0.000 -2.714) 2.875 16.623 ( 1.660 0.000 1.438) 2.196 16.727 ( 1.474 0.000 -2.909) 3.261 ======================= Grid point 75 (39/75) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -18.237 0.000 10.661) 21.125 1.238 ( -16.656 0.000 14.939) 22.374 1.728 ( -4.497 0.000 -1.443) 4.723 1.858 ( 0.225 0.000 0.535) 0.581 1.984 ( 1.555 0.000 1.944) 2.490 2.061 ( -0.482 0.000 -2.362) 2.411 2.144 ( -19.515 0.000 16.049) 25.266 2.191 ( -5.189 0.000 5.943) 7.890 2.214 ( -0.619 0.000 -2.312) 2.393 2.259 ( 3.587 0.000 -7.382) 8.208 2.270 ( -2.237 0.000 -2.064) 3.044 2.384 ( -2.098 0.000 -0.227) 2.110 2.421 ( 5.900 0.000 4.306) 7.304 2.587 ( 6.650 0.000 0.649) 6.682 2.588 ( 5.088 0.000 -6.166) 7.994 2.730 ( 5.764 0.000 -1.995) 6.100 2.777 ( 6.564 0.000 -7.623) 10.060 3.017 ( -6.681 0.000 6.788) 9.524 3.113 ( 6.193 0.000 5.131) 8.043 3.131 ( -3.200 0.000 -7.597) 8.243 3.229 ( 2.938 0.000 4.290) 5.199 3.318 ( -2.447 0.000 -0.622) 2.525 3.361 ( 5.203 0.000 0.327) 5.214 3.459 ( 4.283 0.000 1.015) 4.402 3.616 ( 5.121 0.000 6.118) 7.979 3.688 ( -1.056 0.000 -3.256) 3.423 3.823 ( -3.173 0.000 -1.997) 3.749 3.983 ( -1.595 0.000 10.521) 10.641 4.014 ( -1.231 0.000 1.817) 2.195 4.130 ( -0.532 0.000 -8.778) 8.795 4.239 ( 3.582 0.000 -1.119) 3.753 4.303 ( -1.900 0.000 -3.451) 3.940 4.369 ( -0.112 0.000 0.912) 0.919 4.446 ( 4.189 0.000 -0.106) 4.191 4.562 ( 0.372 0.000 -0.901) 0.974 4.656 ( 5.083 0.000 -3.869) 6.388 4.785 ( -0.670 0.000 -3.645) 3.706 4.842 ( 3.985 0.000 2.664) 4.794 4.905 ( 0.342 0.000 -2.238) 2.264 5.005 ( -2.829 0.000 0.407) 2.858 5.107 ( 1.579 0.000 -6.442) 6.633 5.113 ( -1.174 0.000 -5.161) 5.293 5.348 ( -3.067 0.000 3.951) 5.001 5.420 ( -0.357 0.000 -2.761) 2.784 5.484 ( 4.692 0.000 4.644) 6.602 5.578 ( -2.153 0.000 2.258) 3.120 5.597 ( -1.112 0.000 4.762) 4.890 5.616 ( -3.271 0.000 -1.695) 3.684 5.682 ( 3.237 0.000 3.718) 4.930 5.876 ( 0.201 0.000 -4.328) 4.333 5.896 ( -0.400 0.000 4.756) 4.773 5.943 ( 3.346 0.000 2.677) 4.285 6.237 ( -0.622 0.000 1.819) 1.922 6.291 ( 5.172 0.000 -0.211) 5.176 6.341 ( 0.022 0.000 -1.945) 1.945 6.406 ( 1.689 0.000 1.772) 2.448 6.484 ( 0.669 0.000 -5.076) 5.120 6.600 ( 2.913 0.000 -3.410) 4.485 6.707 ( -4.456 0.000 -1.598) 4.734 6.809 ( 2.421 0.000 3.401) 4.175 6.815 ( 3.401 0.000 2.149) 4.023 6.959 ( -3.684 0.000 1.070) 3.837 6.993 ( 2.719 0.000 4.889) 5.594 7.039 ( -0.846 0.000 3.642) 3.739 7.145 ( -5.133 0.000 -2.836) 5.864 7.197 ( -2.237 0.000 -1.385) 2.632 7.288 ( -3.112 0.000 1.425) 3.423 7.334 ( -1.925 0.000 -1.791) 2.629 7.488 ( 4.396 0.000 2.008) 4.833 7.513 ( 2.125 0.000 -3.871) 4.416 7.628 ( -0.167 0.000 -2.197) 2.204 7.825 ( 4.786 0.000 -0.039) 4.786 7.891 ( -3.366 0.000 -0.040) 3.367 7.902 ( 0.333 0.000 3.211) 3.228 7.950 ( -4.409 0.000 -2.031) 4.854 7.960 ( -0.936 0.000 -1.160) 1.490 8.622 ( 1.723 0.000 -2.442) 2.989 8.654 ( 2.919 0.000 0.840) 3.037 8.689 ( 1.245 0.000 0.321) 1.286 8.773 ( -0.350 0.000 -5.057) 5.069 11.676 ( 0.974 0.000 1.171) 1.523 11.704 ( -0.277 0.000 -0.376) 0.467 11.708 ( 0.209 0.000 -0.153) 0.259 11.725 ( 0.761 0.000 0.861) 1.149 13.982 ( 0.111 0.000 1.614) 1.618 14.030 ( -1.341 0.000 -0.380) 1.394 14.161 ( -2.505 0.000 1.254) 2.802 14.458 ( 2.731 0.000 -3.814) 4.691 15.387 ( 0.583 0.000 0.071) 0.588 15.485 ( 0.382 0.000 -3.352) 3.373 15.682 ( -1.764 0.000 4.519) 4.851 15.796 ( -3.585 0.000 -0.944) 3.707 16.236 ( -0.533 0.000 0.938) 1.079 16.360 ( 1.137 0.000 -2.548) 2.790 16.662 ( 1.868 0.000 0.720) 2.002 16.749 ( 2.080 0.000 -3.424) 4.006 ======================= Grid point 76 (40/75) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -12.643 0.000 18.748) 22.613 0.999 ( -14.246 0.000 18.864) 23.639 1.687 ( 0.612 0.000 -0.261) 0.665 1.773 ( -17.634 0.000 32.309) 36.808 1.890 ( -2.330 0.000 -2.907) 3.725 1.998 ( -0.750 0.000 0.678) 1.011 2.006 ( -3.846 0.000 0.518) 3.881 2.151 ( -1.013 0.000 -0.352) 1.072 2.198 ( -0.651 0.000 -2.674) 2.752 2.265 ( 2.083 0.000 -1.295) 2.453 2.307 ( 2.854 0.000 -3.869) 4.808 2.350 ( -2.271 0.000 1.402) 2.669 2.470 ( -2.307 0.000 2.523) 3.419 2.640 ( 2.737 0.000 -5.527) 6.168 2.724 ( 6.402 0.000 -3.701) 7.395 2.785 ( -2.112 0.000 -6.054) 6.412 2.855 ( 6.187 0.000 -1.805) 6.445 3.007 ( 3.100 0.000 5.421) 6.245 3.065 ( -0.745 0.000 -5.622) 5.671 3.167 ( -1.361 0.000 0.583) 1.480 3.299 ( 1.207 0.000 2.149) 2.465 3.333 ( 5.896 0.000 7.781) 9.762 3.399 ( 2.082 0.000 -4.382) 4.852 3.626 ( -0.480 0.000 1.461) 1.538 3.661 ( 5.447 0.000 4.345) 6.968 3.719 ( 3.285 0.000 2.872) 4.364 3.805 ( 4.633 0.000 -2.818) 5.423 3.945 ( -5.733 0.000 8.656) 10.383 3.982 ( -2.454 0.000 1.359) 2.805 4.082 ( -1.227 0.000 -8.227) 8.318 4.244 ( -3.200 0.000 -0.176) 3.205 4.290 ( 1.381 0.000 -2.350) 2.726 4.390 ( 2.051 0.000 1.811) 2.736 4.521 ( 3.098 0.000 -1.290) 3.356 4.554 ( -1.400 0.000 0.921) 1.676 4.697 ( 1.156 0.000 -2.526) 2.778 4.778 ( 1.450 0.000 -3.079) 3.404 4.883 ( -1.329 0.000 -4.909) 5.085 4.904 ( 1.104 0.000 -0.596) 1.255 4.950 ( -3.099 0.000 0.249) 3.109 5.075 ( -0.586 0.000 -4.685) 4.721 5.105 ( 0.963 0.000 -7.730) 7.790 5.263 ( -5.369 0.000 2.318) 5.848 5.372 ( -2.521 0.000 -3.127) 4.016 5.511 ( -2.853 0.000 4.010) 4.921 5.553 ( -0.864 0.000 -2.202) 2.365 5.620 ( 3.048 0.000 3.250) 4.456 5.723 ( -0.444 0.000 1.760) 1.815 5.747 ( 9.877 0.000 0.226) 9.880 5.884 ( 1.601 0.000 -3.899) 4.215 5.940 ( 2.750 0.000 8.945) 9.358 6.052 ( 7.513 0.000 6.841) 10.161 6.219 ( -1.387 0.000 1.042) 1.735 6.307 ( -2.875 0.000 0.346) 2.896 6.379 ( 3.756 0.000 -0.754) 3.831 6.479 ( 1.409 0.000 -4.643) 4.852 6.484 ( 6.272 0.000 -0.433) 6.286 6.617 ( 0.102 0.000 -3.411) 3.413 6.686 ( 2.659 0.000 4.087) 4.876 6.811 ( -5.316 0.000 2.126) 5.725 6.904 ( 5.039 0.000 0.969) 5.131 6.920 ( 0.394 0.000 1.251) 1.312 7.025 ( -5.577 0.000 0.033) 5.577 7.047 ( 0.479 0.000 0.446) 0.655 7.047 ( 0.402 0.000 3.609) 3.631 7.160 ( -0.845 0.000 -2.123) 2.285 7.197 ( -5.153 0.000 1.358) 5.329 7.277 ( -3.188 0.000 -1.755) 3.639 7.537 ( -0.035 0.000 -0.766) 0.767 7.560 ( 3.103 0.000 -2.629) 4.067 7.640 ( 2.681 0.000 -2.509) 3.671 7.847 ( -1.391 0.000 -1.718) 2.211 7.850 ( -4.583 0.000 -1.460) 4.810 7.863 ( -0.266 0.000 -0.528) 0.591 7.929 ( 1.050 0.000 3.296) 3.459 7.962 ( 0.514 0.000 0.027) 0.515 8.640 ( -3.614 0.000 -3.854) 5.284 8.644 ( 1.053 0.000 -2.592) 2.797 8.722 ( 2.095 0.000 0.160) 2.101 8.769 ( 1.407 0.000 -0.716) 1.578 11.698 ( 0.126 0.000 0.420) 0.439 11.704 ( 1.119 0.000 0.485) 1.220 11.710 ( -0.126 0.000 0.352) 0.374 11.739 ( 0.428 0.000 0.376) 0.570 13.996 ( 0.813 0.000 1.237) 1.480 14.005 ( -0.923 0.000 0.304) 0.972 14.112 ( -2.697 0.000 0.263) 2.710 14.386 ( -8.874 0.000 -9.113) 12.720 15.405 ( 1.197 0.000 0.035) 1.198 15.533 ( 5.114 0.000 -1.273) 5.270 15.660 ( -2.380 0.000 5.338) 5.844 15.762 ( 1.943 0.000 2.036) 2.815 16.237 ( 0.146 0.000 1.475) 1.482 16.368 ( 0.616 0.000 -2.442) 2.519 16.692 ( 0.856 0.000 0.088) 0.861 16.772 ( 1.343 0.000 -3.658) 3.897 ======================= Grid point 77 (41/75) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -6.403 13.486 17.356) 22.893 1.152 ( 2.371 15.882 18.881) 24.786 1.634 ( 0.447 -10.070 7.343) 12.471 1.739 ( -3.542 -12.050 7.049) 14.403 1.817 ( -1.307 11.032 15.164) 18.798 1.911 ( -2.140 3.028 1.109) 3.870 1.993 ( 0.581 1.943 0.114) 2.031 2.130 ( 1.005 0.210 -4.389) 4.507 2.153 ( -0.171 -1.221 -2.575) 2.855 2.261 ( -1.005 -4.077 -5.989) 7.315 2.319 ( -1.704 1.579 2.641) 3.517 2.408 ( -1.564 6.127 3.138) 7.059 2.512 ( -0.060 3.541 -4.030) 5.365 2.571 ( -3.629 -0.389 -2.746) 4.568 2.713 ( -1.042 -1.011 -1.453) 2.054 2.792 ( -2.236 -0.640 0.388) 2.358 2.889 ( -2.118 -4.833 -3.382) 6.268 3.022 ( 2.730 4.957 1.735) 5.919 3.086 ( 2.826 -4.160 -0.363) 5.042 3.172 ( 1.010 -0.645 -0.712) 1.394 3.343 ( 3.633 -1.508 1.169) 4.104 3.406 ( 1.738 -3.850 1.984) 4.667 3.447 ( 2.375 0.978 3.231) 4.128 3.540 ( 1.367 3.043 -1.057) 3.499 3.587 ( 1.225 -9.318 2.426) 9.707 3.755 ( 1.237 -2.179 4.121) 4.823 3.824 ( 2.111 -8.355 0.565) 8.636 3.847 ( -4.607 -6.009 2.150) 7.871 4.017 ( 0.519 3.154 -1.295) 3.449 4.074 ( -0.445 3.581 -3.142) 4.785 4.190 ( -0.790 -1.312 0.126) 1.536 4.224 ( -2.566 -3.693 -1.778) 4.836 4.447 ( 1.688 1.347 -0.732) 2.280 4.498 ( -1.037 -0.169 -0.416) 1.130 4.621 ( -0.738 5.140 0.188) 5.196 4.714 ( 0.141 0.192 -0.917) 0.948 4.808 ( -1.328 0.564 -2.146) 2.586 4.833 ( 2.388 1.424 -3.211) 4.248 4.878 ( -1.221 -0.827 -0.980) 1.771 4.911 ( -0.709 -0.386 -0.248) 0.845 5.057 ( 1.078 -0.249 -5.313) 5.427 5.089 ( 1.467 -0.693 -6.785) 6.976 5.240 ( -1.942 4.020 2.235) 4.993 5.336 ( -1.585 -0.043 -0.948) 1.848 5.499 ( 0.130 2.795 3.153) 4.216 5.610 ( -0.175 4.899 -0.348) 4.915 5.659 ( -1.837 -1.470 1.977) 3.073 5.742 ( 2.713 2.352 3.067) 4.722 5.831 ( -1.371 -3.569 -1.521) 4.115 5.860 ( 3.337 0.976 -2.801) 4.465 6.011 ( 0.473 -3.650 6.895) 7.816 6.051 ( 0.767 -5.610 5.476) 7.877 6.227 ( 0.269 1.569 1.144) 1.960 6.320 ( 2.272 -1.605 1.683) 3.252 6.442 ( 1.260 3.635 -1.306) 4.063 6.505 ( -0.125 0.310 -1.394) 1.434 6.586 ( -1.645 -1.893 -0.418) 2.542 6.616 ( 2.709 -0.005 -1.029) 2.898 6.630 ( -0.539 -1.765 0.845) 2.030 6.669 ( -5.250 -3.061 1.062) 6.169 6.849 ( -3.523 -1.969 -1.530) 4.316 6.955 ( -2.886 -1.876 -1.712) 3.845 7.016 ( 3.524 -0.784 1.096) 3.773 7.059 ( -0.695 1.307 1.917) 2.422 7.089 ( -2.345 -2.661 -1.116) 3.718 7.146 ( -1.416 -2.928 0.152) 3.256 7.180 ( 4.433 2.802 1.560) 5.472 7.236 ( 3.310 3.736 -2.004) 5.379 7.489 ( -4.372 -6.567 0.860) 7.936 7.519 ( 2.174 -5.717 -1.483) 6.294 7.612 ( -4.031 3.769 0.724) 5.565 7.709 ( 1.095 0.951 -1.730) 2.257 7.927 ( 1.061 6.375 0.723) 6.503 7.983 ( 0.889 4.570 0.483) 4.681 8.025 ( -0.741 6.734 -0.523) 6.795 8.097 ( 3.493 6.009 -3.527) 7.794 8.474 ( 0.578 -7.542 0.050) 7.564 8.550 ( -1.666 -6.556 -2.376) 7.170 8.863 ( 1.248 7.609 -4.309) 8.833 8.880 ( -0.467 6.105 -3.133) 6.878 11.697 ( -0.420 0.175 0.454) 0.642 11.706 ( -0.474 -0.033 0.466) 0.666 11.734 ( 0.865 0.216 0.566) 1.056 11.743 ( 0.238 -0.059 0.088) 0.260 14.012 ( 0.629 0.292 0.980) 1.201 14.018 ( 1.681 0.301 0.917) 1.939 14.084 ( -0.922 0.313 0.092) 0.978 14.121 ( -8.386 -1.422 -1.012) 8.565 15.446 ( 0.704 1.791 -0.789) 2.080 15.537 ( 0.277 -2.373 -2.594) 3.527 15.660 ( -1.111 1.572 3.953) 4.397 15.807 ( 6.308 -7.497 2.561) 10.127 16.363 ( 1.374 5.103 -3.665) 6.431 16.396 ( 1.662 2.982 -3.422) 4.833 16.691 ( -0.870 0.396 -0.677) 1.172 16.743 ( -1.151 -1.236 -2.150) 2.734 ======================= Grid point 78 (42/75) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.888 5.790 17.160) 19.754 1.315 ( 7.235 9.926 14.887) 19.301 1.653 ( 0.216 -11.618 4.141) 12.336 1.763 ( 1.929 -8.873 10.036) 13.534 1.876 ( 3.743 5.437 -6.521) 9.278 1.913 ( 0.091 6.373 9.694) 11.601 2.007 ( -0.308 1.912 -0.818) 2.102 2.099 ( -2.138 -2.058 -1.245) 3.218 2.190 ( 3.973 -3.699 -1.568) 5.650 2.219 ( -1.055 -2.643 -5.475) 6.170 2.294 ( -2.726 4.465 -2.032) 5.613 2.388 ( 0.135 6.908 7.204) 9.982 2.481 ( 0.214 -2.007 -2.786) 3.440 2.529 ( -1.899 6.530 2.273) 7.171 2.635 ( -4.787 -0.704 -1.162) 4.976 2.728 ( -4.307 2.405 2.425) 5.497 2.845 ( -1.780 -4.017 -2.589) 5.100 3.043 ( -0.852 5.460 1.185) 5.652 3.112 ( 0.389 -1.139 -1.777) 2.147 3.248 ( 5.296 0.124 -0.771) 5.354 3.368 ( -1.645 1.465 0.002) 2.203 3.439 ( 2.129 -5.842 1.334) 6.359 3.475 ( -2.069 -7.280 2.443) 7.953 3.534 ( -0.605 3.239 -2.392) 4.072 3.609 ( -0.257 -5.008 3.139) 5.916 3.720 ( -3.784 -1.680 0.773) 4.212 3.756 ( -4.334 -3.469 -0.920) 5.627 3.888 ( 2.082 -2.188 3.313) 4.483 4.014 ( 0.377 -3.098 2.507) 4.003 4.103 ( 2.534 -1.646 -2.784) 4.108 4.168 ( -2.476 -3.202 -1.790) 4.426 4.199 ( 1.916 -2.475 -1.438) 3.445 4.453 ( -2.020 2.627 -1.241) 3.539 4.491 ( 1.337 0.293 -0.039) 1.369 4.602 ( -0.885 5.746 -0.295) 5.821 4.697 ( -1.705 -0.010 -1.008) 1.981 4.773 ( -1.260 2.039 -1.527) 2.843 4.841 ( -1.160 -0.391 -1.133) 1.668 4.888 ( 2.876 1.220 -1.476) 3.456 4.908 ( 0.692 0.587 0.233) 0.937 5.065 ( 2.152 -0.394 -6.379) 6.744 5.097 ( 1.903 -1.118 -5.444) 5.874 5.246 ( 1.399 3.438 2.228) 4.330 5.329 ( 0.714 -0.284 0.356) 0.847 5.502 ( -0.471 3.695 3.222) 4.925 5.613 ( -2.387 1.710 1.214) 3.178 5.644 ( 2.390 2.841 0.004) 3.712 5.741 ( -3.298 -3.488 0.431) 4.819 5.821 ( 0.167 1.394 2.284) 2.681 5.875 ( -0.131 0.627 -3.947) 3.999 6.019 ( -1.933 -5.389 5.504) 7.941 6.042 ( -3.065 -4.006 3.737) 6.278 6.237 ( 0.275 1.338 1.406) 1.960 6.336 ( -1.200 -2.914 -0.800) 3.251 6.429 ( -6.563 0.168 -0.811) 6.615 6.443 ( -6.385 -0.430 -1.787) 6.644 6.477 ( 0.090 2.905 1.319) 3.191 6.539 ( -2.667 2.752 -4.020) 5.554 6.703 ( 3.968 -3.707 1.447) 5.620 6.743 ( 3.807 -3.726 3.172) 6.200 6.849 ( 3.239 -0.808 0.411) 3.364 6.878 ( -2.167 -1.367 -1.453) 2.945 7.004 ( -3.568 0.707 2.433) 4.376 7.053 ( 0.484 -0.786 0.712) 1.166 7.088 ( -2.058 -0.679 0.529) 2.231 7.131 ( 2.611 -3.116 -0.718) 4.128 7.263 ( 3.966 2.476 0.155) 4.679 7.300 ( -0.389 0.168 -0.727) 0.842 7.408 ( -0.742 -4.410 0.372) 4.487 7.553 ( 0.309 -3.189 -1.769) 3.660 7.584 ( 1.163 3.059 -0.569) 3.321 7.721 ( 0.302 -2.072 0.120) 2.098 7.955 ( 1.229 6.385 0.709) 6.541 7.975 ( -0.086 9.690 -1.994) 9.893 8.029 ( 0.900 1.630 0.081) 1.864 8.144 ( 2.290 6.803 -2.871) 7.731 8.497 ( 1.019 -6.751 0.190) 6.831 8.516 ( -0.699 -7.129 -1.399) 7.299 8.795 ( -4.790 6.189 -1.846) 8.041 8.860 ( -1.611 4.934 -3.157) 6.075 11.687 ( -0.897 0.186 0.859) 1.256 11.695 ( -0.773 0.035 0.647) 1.008 11.738 ( -0.291 0.171 -0.282) 0.440 11.749 ( 0.130 -0.092 0.265) 0.309 14.003 ( -1.165 0.800 0.492) 1.496 14.025 ( -1.949 -0.067 0.986) 2.185 14.086 ( 4.717 0.420 0.707) 4.788 14.113 ( 2.706 -0.468 1.528) 3.143 15.444 ( -0.553 1.391 -0.719) 1.661 15.520 ( -0.397 -1.907 -3.363) 3.887 15.671 ( 0.548 2.839 3.708) 4.702 15.917 ( 3.969 -10.023 -0.372) 10.786 16.353 ( -0.446 3.651 -3.492) 5.072 16.411 ( 0.919 3.309 -4.460) 5.629 16.649 ( -3.025 0.323 0.353) 3.062 16.707 ( -1.447 -0.750 -1.029) 1.927 ======================= Grid point 79 (43/75) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 13.701 1.898 12.414) 18.586 1.526 ( 10.331 6.006 7.603) 14.163 1.708 ( 3.315 -7.980 3.716) 9.406 1.844 ( 2.527 -3.478 7.198) 8.384 1.909 ( -2.356 -0.022 5.328) 5.825 1.944 ( 2.953 3.525 -3.226) 5.617 1.980 ( -0.050 2.586 -0.816) 2.712 2.095 ( 4.008 -1.778 -2.681) 5.139 2.164 ( -3.058 0.350 -1.591) 3.465 2.210 ( -2.981 0.044 -4.440) 5.348 2.267 ( 3.760 -3.587 -1.865) 5.521 2.381 ( -2.119 -2.204 1.811) 3.553 2.486 ( -2.767 4.889 -0.090) 5.619 2.546 ( 0.695 1.877 -1.182) 2.324 2.566 ( -1.848 -0.451 0.961) 2.131 2.688 ( -2.628 0.023 0.595) 2.695 2.829 ( 4.252 6.219 6.505) 9.954 2.984 ( -4.703 9.187 -1.525) 10.432 3.126 ( 1.777 -1.772 -1.580) 2.965 3.278 ( -3.206 0.325 -0.077) 3.223 3.346 ( 0.254 0.012 -2.056) 2.072 3.396 ( -6.003 -6.359 1.359) 8.850 3.437 ( -3.365 -3.946 -0.221) 5.190 3.501 ( -2.843 1.135 0.131) 3.064 3.608 ( -1.390 -1.858 2.135) 3.153 3.679 ( 1.301 -3.625 2.291) 4.481 3.695 ( -1.607 -0.202 -1.646) 2.309 3.930 ( 1.697 2.384 1.791) 3.431 4.037 ( -1.969 -4.239 4.149) 6.250 4.096 ( -1.086 -12.573 2.402) 12.847 4.145 ( 1.453 1.593 -4.436) 4.932 4.240 ( 2.495 -1.978 -3.664) 4.853 4.397 ( -2.143 3.439 -1.030) 4.181 4.494 ( -1.662 -0.666 0.171) 1.799 4.599 ( 0.795 5.090 -1.837) 5.470 4.643 ( -2.837 1.869 -1.850) 3.868 4.744 ( -1.201 2.811 -1.464) 3.389 4.818 ( -0.878 -2.185 0.481) 2.403 4.920 ( 0.962 1.007 2.305) 2.693 4.958 ( 3.840 0.324 -2.354) 4.516 5.090 ( 2.957 0.156 -6.284) 6.947 5.118 ( 1.921 -1.196 -4.408) 4.956 5.285 ( 1.176 2.251 1.560) 2.981 5.357 ( 1.635 -0.303 1.643) 2.337 5.518 ( 0.693 1.862 3.670) 4.174 5.578 ( -1.147 2.279 -0.883) 2.700 5.673 ( -1.739 -1.873 -0.094) 2.558 5.676 ( -2.082 -2.830 2.932) 4.576 5.825 ( -1.003 1.853 0.279) 2.125 5.855 ( 0.722 1.481 -2.898) 3.334 5.944 ( -6.163 -2.859 2.552) 7.257 6.018 ( -1.488 -2.740 2.439) 3.959 6.250 ( -0.574 -0.020 2.131) 2.208 6.273 ( -3.566 -1.155 -0.905) 3.857 6.312 ( -5.126 0.820 -0.620) 5.228 6.349 ( -0.063 -0.803 -2.415) 2.546 6.475 ( -0.918 2.393 -0.513) 2.614 6.520 ( 0.763 1.890 -2.609) 3.311 6.723 ( -1.304 -1.861 1.424) 2.681 6.769 ( -0.738 -2.516 1.609) 3.076 6.895 ( 2.222 0.607 1.420) 2.706 6.950 ( 2.454 -2.192 1.389) 3.571 6.975 ( 1.614 0.258 2.020) 2.598 7.001 ( -4.515 -1.705 3.825) 6.157 7.108 ( 3.214 -0.267 0.125) 3.228 7.189 ( 2.934 -3.043 1.241) 4.406 7.276 ( 0.051 1.652 -0.563) 1.746 7.335 ( 3.496 3.819 -0.323) 5.188 7.411 ( -0.594 -2.753 -1.874) 3.383 7.521 ( -1.885 -0.993 -2.123) 3.008 7.610 ( 1.196 2.025 -1.278) 2.677 7.720 ( -0.648 -3.308 1.078) 3.539 7.962 ( 0.155 7.637 -1.223) 7.736 7.988 ( 1.095 3.665 -0.477) 3.854 8.054 ( 1.591 2.001 -0.635) 2.634 8.150 ( -0.675 5.091 -2.522) 5.722 8.483 ( -0.771 -4.109 -0.784) 4.254 8.533 ( 1.109 -6.531 0.980) 6.696 8.712 ( -2.919 3.444 -0.699) 4.569 8.809 ( -2.029 2.315 -2.749) 4.127 11.672 ( -1.012 0.260 1.228) 1.613 11.685 ( -0.473 -0.170 0.798) 0.943 11.728 ( -0.547 0.364 -0.518) 0.837 11.745 ( -0.521 -0.254 -0.061) 0.583 13.987 ( -0.705 0.720 1.339) 1.676 14.022 ( 0.503 -0.710 0.595) 1.054 14.171 ( 2.402 0.384 2.196) 3.277 14.186 ( 5.165 -0.151 0.404) 5.183 15.426 ( -0.896 1.287 -0.671) 1.706 15.503 ( 0.084 -1.907 -3.960) 4.396 15.698 ( 0.713 3.463 3.006) 4.641 15.946 ( -0.361 -8.021 -1.350) 8.142 16.330 ( -0.613 3.172 -2.909) 4.348 16.396 ( -0.621 2.476 -3.878) 4.642 16.602 ( -1.942 0.226 1.538) 2.488 16.688 ( -0.123 -1.574 -1.288) 2.038 ======================= Grid point 80 (44/75) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 4.286 6.472 9.165) 12.011 1.706 ( -6.889 -0.011 5.392) 8.748 1.729 ( 7.085 2.501 0.660) 7.542 1.873 ( -1.448 -1.465 5.204) 5.597 1.918 ( 2.701 -0.271 0.772) 2.822 1.993 ( 3.618 -0.567 1.666) 4.024 2.039 ( 4.337 2.107 -1.312) 4.997 2.139 ( 2.737 3.696 0.909) 4.688 2.162 ( 1.503 -5.234 -2.443) 5.968 2.199 ( 3.849 -0.370 2.366) 4.533 2.304 ( 1.287 -1.814 -1.694) 2.796 2.394 ( 3.022 -3.366 2.296) 5.073 2.433 ( -1.631 1.211 -1.032) 2.278 2.516 ( -0.782 0.847 -5.295) 5.419 2.550 ( -5.673 -1.212 1.244) 5.932 2.585 ( 1.401 -2.424 -4.753) 5.517 2.870 ( -3.999 6.026 -3.152) 7.889 3.048 ( 9.794 4.138 4.721) 11.633 3.152 ( -0.181 0.265 -0.019) 0.321 3.159 ( -8.883 2.782 -1.291) 9.398 3.260 ( -6.044 -3.994 0.266) 7.250 3.299 ( -4.699 2.964 0.139) 5.557 3.395 ( -2.884 -2.904 0.764) 4.163 3.427 ( -1.507 0.251 0.206) 1.542 3.598 ( -0.607 -2.859 1.961) 3.520 3.655 ( -2.534 -0.538 -1.271) 2.885 3.763 ( 4.348 -4.298 4.499) 7.590 3.926 ( -3.775 -1.500 -0.075) 4.063 4.025 ( 1.723 -4.075 3.486) 5.633 4.062 ( -3.613 -5.230 3.033) 7.044 4.192 ( 4.353 1.803 -2.642) 5.402 4.275 ( 2.954 -1.679 -3.418) 4.820 4.380 ( 0.328 0.688 -1.032) 1.283 4.449 ( -1.925 0.696 -1.080) 2.315 4.578 ( -1.968 4.091 -1.915) 4.928 4.613 ( 0.463 3.028 -4.354) 5.323 4.733 ( 0.731 2.026 0.038) 2.154 4.808 ( -0.572 -2.801 0.645) 2.931 4.942 ( 0.058 1.608 2.151) 2.686 5.012 ( 2.255 -1.018 -1.020) 2.676 5.115 ( 1.283 -0.543 -5.563) 5.735 5.129 ( 1.150 -0.394 -4.009) 4.189 5.297 ( 0.190 1.977 0.522) 2.054 5.393 ( 1.046 -1.446 1.473) 2.315 5.531 ( -1.046 1.077 3.184) 3.520 5.576 ( 0.460 1.492 1.299) 2.030 5.629 ( -2.196 -2.172 5.042) 5.913 5.651 ( -1.257 -1.447 -1.151) 2.236 5.791 ( -0.888 -1.456 -2.223) 2.801 5.827 ( -6.226 -2.784 1.250) 6.934 5.886 ( 1.699 3.443 -0.933) 3.951 5.991 ( -1.966 -0.343 0.016) 1.996 6.201 ( -1.615 0.462 0.099) 1.682 6.231 ( -1.149 0.293 0.222) 1.206 6.314 ( 2.615 1.043 0.423) 2.847 6.376 ( 2.770 -1.319 -1.613) 3.466 6.450 ( -0.855 2.303 -1.117) 2.698 6.529 ( 1.236 -0.772 -2.596) 2.977 6.709 ( -0.487 0.514 1.161) 1.360 6.766 ( -0.175 -0.177 3.119) 3.129 6.889 ( -3.009 -1.616 1.334) 3.666 6.916 ( -2.242 -0.910 3.635) 4.367 7.013 ( 1.910 -0.420 2.064) 2.844 7.031 ( 0.793 -0.703 2.290) 2.523 7.179 ( 3.352 -0.719 1.639) 3.800 7.255 ( 2.502 -1.945 0.182) 3.174 7.282 ( 1.232 1.655 -0.737) 2.191 7.359 ( -2.306 2.151 -2.747) 4.182 7.386 ( 0.280 -0.672 0.212) 0.758 7.489 ( -0.204 -2.120 -2.417) 3.221 7.642 ( 2.937 2.544 -0.128) 3.888 7.705 ( -0.964 -0.772 0.307) 1.272 7.954 ( -0.776 4.986 -0.415) 5.063 8.003 ( 0.585 3.025 -0.322) 3.098 8.058 ( -1.439 1.624 -1.861) 2.858 8.112 ( -1.601 3.036 -2.408) 4.193 8.488 ( 1.376 -2.330 0.571) 2.765 8.552 ( 0.417 -5.583 1.127) 5.710 8.677 ( -0.592 1.858 -0.854) 2.129 8.779 ( 0.213 0.145 -2.910) 2.921 11.662 ( -0.507 0.433 1.449) 1.595 11.685 ( 0.159 -0.487 0.931) 1.062 11.716 ( -0.412 0.391 -0.563) 0.800 11.732 ( -0.757 -0.164 -0.397) 0.871 13.983 ( -0.420 0.708 1.800) 1.979 14.033 ( 0.215 -1.361 0.498) 1.465 14.212 ( 0.937 1.578 2.122) 2.805 14.278 ( 4.319 -1.092 0.442) 4.477 15.408 ( -0.641 1.381 -0.647) 1.654 15.492 ( 0.414 -2.082 -4.388) 4.875 15.716 ( -0.042 3.156 2.673) 4.136 15.908 ( -2.725 -5.011 -1.276) 5.845 16.310 ( -0.507 2.999 -2.076) 3.682 16.370 ( -0.307 1.523 -3.533) 3.860 16.592 ( 0.145 0.187 1.882) 1.896 16.688 ( 0.699 -2.367 -1.768) 3.036 ======================= Grid point 81 (45/75) ======================= q-point: (-0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -13.738 5.067 10.180) 17.834 1.563 ( -11.598 6.950 6.996) 15.223 1.741 ( -4.806 -5.136 2.644) 7.515 1.890 ( -0.645 -4.444 4.216) 6.160 1.951 ( 1.623 6.084 -2.686) 6.846 2.083 ( 3.624 3.956 -0.366) 5.377 2.112 ( 2.670 -3.109 0.842) 4.184 2.175 ( 2.395 -3.569 -2.243) 4.848 2.224 ( 2.048 -0.245 4.639) 5.077 2.297 ( -0.064 0.031 -2.658) 2.659 2.317 ( 3.798 6.379 2.757) 7.919 2.407 ( 1.442 4.035 -1.663) 4.596 2.443 ( 0.172 -2.796 -5.243) 5.944 2.498 ( 4.746 0.266 -6.550) 8.094 2.550 ( 3.693 -0.719 -0.652) 3.818 2.694 ( 9.811 -5.235 0.702) 11.143 2.808 ( -4.617 2.501 2.139) 5.670 2.908 ( -9.743 6.080 1.963) 11.651 3.087 ( -6.701 -5.909 -1.407) 9.044 3.180 ( 0.321 -0.800 -2.357) 2.510 3.226 ( 2.850 0.776 1.414) 3.275 3.248 ( 0.013 0.818 -0.358) 0.893 3.364 ( -0.840 -0.578 0.975) 1.411 3.442 ( 1.787 0.904 4.105) 4.567 3.583 ( -1.577 -2.260 1.057) 2.951 3.593 ( -3.298 -3.719 0.539) 5.000 3.821 ( -1.804 -1.439 0.835) 2.454 3.872 ( 0.830 -6.400 3.652) 7.416 4.018 ( -2.158 -2.350 4.161) 5.243 4.088 ( 3.263 -4.791 1.045) 5.890 4.256 ( 2.803 4.190 -4.097) 6.496 4.313 ( 1.850 -0.420 -3.467) 3.952 4.384 ( 0.202 2.292 0.084) 2.302 4.458 ( 4.167 0.107 -2.633) 4.930 4.537 ( -1.273 3.101 -2.804) 4.370 4.610 ( 1.378 1.840 -3.332) 4.048 4.771 ( 2.455 0.708 1.813) 3.132 4.802 ( 0.238 -1.225 -1.188) 1.723 4.933 ( -1.388 1.963 0.577) 2.472 5.028 ( -0.641 -1.602 0.394) 1.769 5.095 ( -0.414 -0.675 -5.375) 5.433 5.131 ( 0.577 -1.033 -4.744) 4.889 5.320 ( 2.206 1.368 1.649) 3.075 5.401 ( -0.076 -2.518 -0.347) 2.542 5.497 ( -3.940 1.440 3.734) 5.616 5.589 ( -2.777 -1.813 4.148) 5.311 5.613 ( 2.118 1.526 3.816) 4.624 5.651 ( -0.263 1.569 0.324) 1.624 5.723 ( -3.715 -1.136 0.081) 3.885 5.807 ( 2.679 -3.793 0.409) 4.661 5.903 ( 0.092 1.325 -0.666) 1.485 5.941 ( -2.862 0.464 -1.233) 3.151 6.211 ( 2.077 0.723 0.412) 2.237 6.236 ( 1.190 0.464 0.732) 1.472 6.354 ( 0.790 0.924 -2.036) 2.371 6.383 ( -0.512 -0.058 -0.402) 0.653 6.476 ( 3.136 1.074 -2.649) 4.243 6.553 ( 2.753 -0.873 -2.399) 3.755 6.719 ( 0.657 -0.756 2.509) 2.701 6.769 ( -1.285 -1.580 0.885) 2.221 6.843 ( -0.485 2.940 1.696) 3.429 6.928 ( 0.887 -0.638 5.742) 5.845 7.024 ( -1.502 0.695 0.774) 1.827 7.038 ( -0.535 -0.399 3.030) 3.102 7.198 ( -1.941 -1.499 -0.996) 2.647 7.261 ( -1.680 -1.604 -1.821) 2.951 7.316 ( 2.784 2.660 -0.726) 3.919 7.334 ( -0.043 0.139 0.827) 0.840 7.379 ( -0.799 -0.787 1.288) 1.708 7.484 ( 0.709 -3.028 -3.051) 4.357 7.682 ( 0.116 2.245 -0.762) 2.374 7.730 ( 4.472 0.454 -0.519) 4.525 7.931 ( -1.575 3.550 1.008) 4.012 7.983 ( -3.160 2.028 -1.389) 4.003 8.020 ( -0.518 3.494 -0.398) 3.554 8.080 ( -0.830 2.987 -2.680) 4.099 8.515 ( 0.047 -4.411 0.932) 4.509 8.570 ( 1.757 -4.143 0.825) 4.576 8.682 ( 1.482 2.141 -0.989) 2.785 8.791 ( 2.237 -0.340 -3.981) 4.579 11.665 ( 0.283 0.589 1.429) 1.571 11.697 ( 0.554 -0.725 0.977) 1.337 11.710 ( -0.068 0.266 -0.503) 0.573 11.717 ( -0.459 0.043 -0.430) 0.630 13.982 ( -0.394 0.564 1.846) 1.970 14.031 ( -0.579 -1.539 0.455) 1.706 14.221 ( -0.749 2.645 1.370) 3.072 14.353 ( 3.292 -2.809 0.052) 4.327 15.399 ( -0.060 1.464 -0.377) 1.513 15.482 ( 0.181 -1.965 -4.190) 4.631 15.716 ( -1.010 2.433 2.805) 3.848 15.845 ( -3.300 -2.813 -0.998) 4.450 16.296 ( -0.105 3.725 -1.444) 3.996 16.362 ( 0.803 0.906 -3.254) 3.472 16.616 ( 1.480 -0.198 1.516) 2.128 16.699 ( 1.263 -2.609 -2.179) 3.627 ======================= Grid point 82 (46/75) ======================= q-point: (-0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -14.836 9.466 13.364) 22.098 1.344 ( -14.027 9.297 11.683) 20.486 1.653 ( -4.748 -5.960 4.553) 8.876 1.846 ( -4.535 -12.259 6.347) 14.530 1.957 ( 0.424 7.189 -3.271) 7.910 2.090 ( -3.020 0.428 -4.774) 5.665 2.145 ( 1.471 2.237 -2.137) 3.426 2.179 ( -4.319 -2.614 -2.041) 5.445 2.234 ( -0.391 -0.673 -4.834) 4.896 2.261 ( -5.811 5.974 9.491) 12.631 2.341 ( -4.559 2.565 5.783) 7.798 2.383 ( -0.267 1.718 -2.438) 2.994 2.489 ( 5.454 5.447 2.449) 8.088 2.566 ( 3.994 0.025 -5.459) 6.764 2.624 ( 5.049 2.262 -1.650) 5.774 2.751 ( 5.790 3.443 0.560) 6.760 2.812 ( 2.572 1.145 -7.717) 8.215 2.944 ( -3.123 -5.427 0.345) 6.271 3.033 ( 8.711 -6.877 6.377) 12.800 3.139 ( -2.788 -1.569 1.179) 3.410 3.237 ( 0.761 0.284 -0.221) 0.842 3.322 ( 3.260 -0.900 -0.715) 3.457 3.343 ( -0.288 -5.765 2.053) 6.127 3.481 ( -0.150 5.829 1.164) 5.946 3.549 ( -1.323 -11.960 1.947) 12.189 3.575 ( 0.365 1.489 3.857) 4.151 3.801 ( 1.261 -0.421 -2.553) 2.878 3.911 ( 0.131 -6.673 5.620) 8.725 3.998 ( -1.459 -1.207 3.023) 3.567 4.150 ( 2.521 -3.777 -1.093) 4.671 4.251 ( -0.973 3.619 -5.576) 6.719 4.308 ( -0.539 1.287 -3.136) 3.432 4.408 ( 1.246 2.751 1.111) 3.219 4.506 ( 0.152 3.323 -2.446) 4.129 4.545 ( 4.000 -0.138 -1.076) 4.144 4.654 ( 3.926 -0.642 -2.591) 4.747 4.797 ( 0.488 0.642 -2.085) 2.235 4.830 ( 1.917 -0.891 0.701) 2.227 4.907 ( -0.721 1.090 -1.482) 1.976 4.993 ( -2.641 -1.499 -0.118) 3.039 5.074 ( 0.416 -0.973 -5.727) 5.824 5.115 ( -0.075 -1.436 -5.303) 5.495 5.357 ( -2.120 1.405 3.254) 4.130 5.420 ( 1.963 -0.847 -0.423) 2.179 5.452 ( 0.703 -0.599 2.282) 2.462 5.533 ( -2.907 -3.036 3.372) 5.389 5.651 ( 0.589 4.451 2.584) 5.180 5.687 ( 2.070 1.974 1.766) 3.362 5.693 ( 0.323 2.747 2.148) 3.502 5.863 ( 1.021 -1.617 0.901) 2.114 5.879 ( -0.687 -1.267 0.938) 1.720 5.917 ( 1.218 -2.008 1.889) 3.014 6.237 ( -0.388 0.390 1.519) 1.616 6.293 ( 3.946 -0.735 0.780) 4.089 6.343 ( -0.032 0.526 -2.492) 2.547 6.381 ( 1.161 -1.500 -1.747) 2.579 6.505 ( 1.268 1.988 -2.558) 3.479 6.608 ( 3.140 -0.431 -2.833) 4.251 6.713 ( -2.498 0.627 0.680) 2.663 6.760 ( 0.761 -2.023 2.123) 3.029 6.887 ( 3.382 4.053 2.166) 5.706 6.974 ( -0.842 -0.010 3.362) 3.466 6.987 ( -0.003 1.053 2.196) 2.436 7.039 ( -0.368 -0.181 2.699) 2.730 7.134 ( -3.535 -0.011 -1.728) 3.935 7.209 ( -2.576 -1.130 -1.539) 3.207 7.289 ( -4.211 -1.827 0.059) 4.590 7.320 ( -3.175 2.169 -1.162) 4.017 7.419 ( 4.318 -3.165 1.032) 5.452 7.498 ( 1.423 -2.826 -2.355) 3.945 7.685 ( 0.945 3.820 -2.060) 4.442 7.788 ( 0.424 -3.077 -1.629) 3.508 7.910 ( -0.800 3.814 0.858) 3.990 7.925 ( -1.666 3.582 1.186) 4.125 8.015 ( 0.516 3.436 -0.743) 3.553 8.063 ( -0.191 5.599 -1.752) 5.870 8.502 ( -1.006 -6.811 -0.086) 6.885 8.605 ( 0.845 -5.396 0.135) 5.464 8.726 ( 3.638 3.951 -1.370) 5.543 8.829 ( 3.497 1.959 -5.130) 6.511 11.682 ( 0.930 0.603 1.195) 1.630 11.704 ( -0.055 -0.099 -0.097) 0.148 11.709 ( 0.099 0.078 -0.179) 0.219 11.720 ( 0.651 -0.446 0.656) 1.026 13.983 ( -0.092 0.246 1.525) 1.548 14.016 ( -1.074 -1.148 0.472) 1.642 14.193 ( -2.526 3.039 0.409) 3.973 14.389 ( 0.250 -5.672 -2.377) 6.155 15.406 ( 0.906 1.598 -0.026) 1.838 15.472 ( 0.534 -1.213 -2.362) 2.708 15.700 ( -1.883 1.634 3.488) 4.287 15.778 ( -3.357 -1.591 -0.403) 3.737 16.300 ( 1.125 4.940 -1.346) 5.242 16.373 ( 1.391 0.948 -2.921) 3.371 16.654 ( 1.911 -0.434 0.771) 2.106 16.721 ( 2.027 -2.496 -2.660) 4.173 ======================= Grid point 83 (47/75) ======================= q-point: (-0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -7.294 14.955 17.998) 24.511 1.142 ( -12.069 13.803 14.358) 23.288 1.613 ( -1.629 -7.187 6.454) 9.796 1.791 ( -4.316 -13.326 7.470) 15.875 1.918 ( -14.726 10.043 14.829) 23.186 1.948 ( -0.183 3.494 -5.252) 6.311 2.020 ( -5.173 1.649 2.695) 6.061 2.132 ( -0.399 1.409 -3.594) 3.881 2.177 ( -0.503 -0.066 -2.446) 2.498 2.284 ( 1.642 -2.420 -5.107) 5.885 2.331 ( -0.788 -1.294 1.909) 2.437 2.391 ( 1.484 7.161 1.509) 7.467 2.542 ( -1.459 3.708 -1.633) 4.307 2.633 ( 2.421 0.686 -1.476) 2.917 2.677 ( 2.658 -4.034 -5.482) 7.307 2.800 ( 0.047 -1.711 0.223) 1.726 2.897 ( 6.727 3.008 -4.488) 8.628 2.943 ( 2.469 -0.390 -0.298) 2.517 3.061 ( -1.711 -4.643 2.963) 5.768 3.190 ( 0.222 -0.491 0.084) 0.545 3.288 ( 0.734 -1.610 2.475) 3.043 3.313 ( 4.346 -2.398 4.405) 6.636 3.410 ( 1.713 -6.876 0.973) 7.153 3.492 ( 2.713 5.281 -0.100) 5.938 3.560 ( 0.826 -10.635 2.178) 10.887 3.638 ( 5.326 0.533 4.929) 7.276 3.821 ( 0.694 -3.611 -2.080) 4.224 3.906 ( -2.697 -7.716 4.396) 9.281 3.999 ( 0.832 3.486 0.613) 3.636 4.134 ( -2.721 3.496 -4.237) 6.130 4.215 ( -1.022 -1.929 -2.603) 3.397 4.278 ( -1.824 -1.560 -1.785) 2.991 4.423 ( 0.582 2.576 0.649) 2.719 4.508 ( 0.302 -0.951 -0.740) 1.242 4.609 ( 2.279 4.200 0.230) 4.784 4.702 ( 1.667 0.072 -1.595) 2.308 4.801 ( 1.274 1.685 -2.864) 3.559 4.842 ( -0.245 -2.156 -2.533) 3.335 4.897 ( -0.134 -0.431 -1.528) 1.593 4.942 ( -2.278 -1.189 -0.801) 2.692 5.063 ( 0.439 -0.431 -4.821) 4.860 5.095 ( 0.640 -1.235 -7.112) 7.247 5.295 ( -4.368 3.473 2.997) 6.334 5.392 ( -3.053 0.754 -1.753) 3.601 5.476 ( 0.734 -0.695 1.423) 1.746 5.612 ( 5.747 -6.073 4.171) 9.344 5.648 ( -3.020 5.903 0.553) 6.654 5.688 ( 1.522 4.434 2.601) 5.361 5.775 ( 5.178 0.828 -0.263) 5.250 5.858 ( -0.780 -2.256 -1.399) 2.767 5.926 ( 4.198 -1.153 6.466) 7.795 5.989 ( 3.138 -4.670 6.116) 8.310 6.225 ( -0.732 1.021 1.061) 1.644 6.300 ( -1.182 -1.031 0.641) 1.695 6.396 ( 4.461 1.590 -0.255) 4.743 6.445 ( 5.169 -0.655 -1.718) 5.486 6.523 ( 2.411 1.742 -1.760) 3.456 6.623 ( -0.667 -0.415 -2.960) 3.063 6.673 ( -1.840 -0.717 2.210) 2.964 6.764 ( -2.673 -3.971 1.913) 5.156 6.928 ( 0.655 2.841 0.724) 3.004 6.953 ( -2.286 0.660 -1.710) 2.931 7.002 ( -1.057 0.076 1.445) 1.792 7.049 ( 2.093 0.144 1.781) 2.752 7.090 ( -0.742 1.747 0.496) 1.962 7.159 ( -1.248 -2.266 -1.407) 2.945 7.195 ( -4.975 0.453 1.899) 5.344 7.252 ( -2.745 1.081 -2.255) 3.713 7.484 ( 2.200 -5.502 -2.270) 6.345 7.515 ( 0.878 -3.192 0.344) 3.328 7.692 ( -0.050 3.040 -1.665) 3.466 7.724 ( -4.784 -1.499 -1.207) 5.156 7.912 ( 0.456 5.067 -0.095) 5.089 7.941 ( 2.061 3.035 2.311) 4.336 8.035 ( 0.773 5.577 0.107) 5.631 8.058 ( 1.214 5.823 -3.060) 6.689 8.481 ( -0.976 -8.323 -0.501) 8.395 8.592 ( -1.571 -6.006 -1.952) 6.508 8.804 ( 4.913 6.443 -2.522) 8.485 8.876 ( 2.937 5.019 -4.993) 7.664 11.700 ( -0.023 0.172 0.258) 0.311 11.706 ( 0.547 0.047 0.324) 0.637 11.713 ( 0.543 0.349 0.565) 0.858 11.734 ( 0.559 -0.410 0.497) 0.853 13.993 ( 0.661 -0.116 1.047) 1.244 14.002 ( -0.407 -0.350 0.804) 0.967 14.134 ( -3.403 2.202 -0.212) 4.059 14.308 ( -7.660 -6.042 -4.767) 10.858 15.427 ( 1.278 1.832 -0.493) 2.287 15.505 ( 3.274 -2.050 -0.561) 3.904 15.677 ( -1.922 1.136 4.034) 4.611 15.732 ( -0.692 -2.009 2.117) 2.999 16.329 ( 2.591 6.173 -2.312) 7.082 16.386 ( 1.064 1.514 -2.766) 3.328 16.687 ( 1.241 -0.120 -0.082) 1.249 16.749 ( 1.569 -2.100 -3.083) 4.047 ======================= Grid point 84 (48/75) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -5.773 -15.592 9.952) 19.377 1.334 ( -5.773 15.592 9.952) 19.377 1.466 ( -0.449 -12.402 15.860) 20.138 1.466 ( -0.449 12.402 15.860) 20.138 1.958 ( 1.567 -4.733 -5.328) 7.297 1.958 ( 1.567 4.733 -5.328) 7.297 2.107 ( -1.051 -8.886 -3.373) 9.562 2.107 ( -1.051 8.886 -3.373) 9.562 2.169 ( -2.354 -2.164 -1.768) 3.654 2.169 ( -2.354 2.164 -1.768) 3.654 2.423 ( -0.949 -6.816 5.758) 8.973 2.423 ( -0.949 6.816 5.758) 8.973 2.558 ( -1.716 -7.699 3.258) 8.534 2.558 ( -1.716 7.699 3.258) 8.534 2.681 ( 0.998 -3.971 -0.277) 4.104 2.681 ( 0.998 3.971 -0.277) 4.104 2.929 ( -1.923 -5.162 -2.215) 5.938 2.929 ( -1.923 5.162 -2.215) 5.938 3.145 ( 3.689 -2.714 0.019) 4.580 3.145 ( 3.689 2.714 0.019) 4.580 3.378 ( 2.765 -6.693 4.021) 8.283 3.378 ( 2.765 6.693 4.021) 8.283 3.451 ( 2.848 -1.969 -0.439) 3.490 3.451 ( 2.848 1.969 -0.439) 3.490 3.667 ( -1.742 -9.111 0.599) 9.295 3.667 ( -1.742 9.111 0.599) 9.295 3.722 ( 0.112 -1.020 2.717) 2.904 3.722 ( 0.112 1.020 2.717) 2.904 4.092 ( -1.201 -2.921 -1.323) 3.425 4.092 ( -1.201 2.921 -1.323) 3.425 4.171 ( -1.392 -0.985 -2.487) 3.015 4.171 ( -1.392 0.985 -2.487) 3.015 4.482 ( 0.711 -1.564 -0.565) 1.808 4.482 ( 0.711 1.564 -0.565) 1.808 4.695 ( -0.516 -2.264 -0.619) 2.403 4.695 ( -0.516 2.264 -0.619) 2.403 4.830 ( 0.524 -1.396 -2.183) 2.644 4.830 ( 0.524 1.396 -2.183) 2.644 4.889 ( 0.536 -1.602 -1.609) 2.333 4.889 ( 0.536 1.602 -1.609) 2.333 5.068 ( 0.989 -1.180 -5.648) 5.854 5.068 ( 0.989 1.180 -5.648) 5.854 5.313 ( -1.973 -2.557 0.776) 3.322 5.313 ( -1.973 2.557 0.776) 3.322 5.578 ( 1.998 -4.948 3.875) 6.595 5.578 ( 1.998 4.948 3.875) 6.595 5.723 ( -1.479 -5.838 -0.748) 6.069 5.723 ( -1.479 5.838 -0.748) 6.069 5.834 ( 1.350 -4.622 1.578) 5.068 5.834 ( 1.350 4.622 1.578) 5.068 5.980 ( 0.417 -2.501 4.369) 5.052 5.980 ( 0.417 2.501 4.369) 5.052 6.271 ( 0.762 -2.716 0.785) 2.928 6.271 ( 0.762 2.716 0.785) 2.928 6.512 ( 0.549 -0.941 -0.964) 1.454 6.512 ( 0.549 0.941 -0.964) 1.454 6.571 ( -1.280 -2.906 2.631) 4.124 6.571 ( -1.280 2.906 2.631) 4.124 6.625 ( -0.408 -0.738 -0.748) 1.127 6.625 ( -0.408 0.738 -0.748) 1.127 6.881 ( -4.503 -4.054 -3.331) 6.914 6.881 ( -4.503 4.054 -3.331) 6.914 7.024 ( 1.988 -1.917 0.032) 2.762 7.024 ( 1.988 1.917 0.032) 2.762 7.097 ( -1.348 -2.193 0.832) 2.706 7.097 ( -1.348 2.193 0.832) 2.706 7.268 ( 0.560 -3.107 1.476) 3.485 7.268 ( 0.560 3.107 1.476) 3.485 7.420 ( 0.288 -2.274 -0.992) 2.497 7.420 ( 0.288 2.274 -0.992) 2.497 7.694 ( -1.261 -2.750 -0.866) 3.147 7.694 ( -1.261 2.750 -0.866) 3.147 8.027 ( 1.120 -1.641 0.122) 1.990 8.027 ( 1.120 1.641 0.122) 1.990 8.126 ( 2.275 -1.444 -0.971) 2.864 8.126 ( 2.275 1.444 -0.971) 2.864 8.420 ( -0.970 -4.131 -0.610) 4.287 8.420 ( -0.970 4.131 -0.610) 4.287 8.949 ( 0.867 -0.248 -6.007) 6.074 8.949 ( 0.867 0.248 -6.007) 6.074 11.702 ( -0.382 -0.284 0.343) 0.587 11.702 ( -0.382 0.284 0.343) 0.587 11.740 ( 0.526 -0.269 0.415) 0.721 11.740 ( 0.526 0.269 0.415) 0.721 14.019 ( 1.732 -0.219 0.802) 1.921 14.019 ( 1.732 0.219 0.802) 1.921 14.095 ( -4.248 -0.947 -0.334) 4.365 14.095 ( -4.248 0.947 -0.334) 4.365 15.489 ( 0.623 -2.365 -1.648) 2.949 15.489 ( 0.623 2.365 -1.648) 2.949 15.703 ( 1.180 -3.158 3.732) 5.029 15.703 ( 1.180 3.158 3.732) 5.029 16.421 ( 1.180 -1.261 -3.841) 4.211 16.421 ( 1.180 1.261 -3.841) 4.211 16.713 ( -0.407 -1.580 -2.036) 2.609 16.713 ( -0.407 1.580 -2.036) 2.609 ======================= Grid point 86 (49/75) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 1.628 -14.193 9.942) 17.406 1.317 ( 1.628 14.193 9.942) 17.406 1.560 ( 3.699 -9.326 14.953) 18.006 1.560 ( 3.699 9.326 14.953) 18.006 1.984 ( 1.120 -3.929 -2.916) 5.019 1.984 ( 1.120 3.929 -2.916) 5.019 2.054 ( -1.999 -4.512 -1.310) 5.106 2.054 ( -1.999 4.512 -1.310) 5.106 2.160 ( 2.020 -2.375 -4.402) 5.394 2.160 ( 2.020 2.375 -4.402) 5.394 2.387 ( -3.387 -4.335 -5.135) 7.526 2.387 ( -3.387 4.335 -5.135) 7.526 2.578 ( -0.140 -6.890 5.872) 9.054 2.578 ( -0.140 6.890 5.872) 9.054 2.655 ( -1.825 -4.727 1.094) 5.184 2.655 ( -1.825 4.727 1.094) 5.184 2.920 ( 1.498 -9.916 2.110) 10.248 2.920 ( 1.498 9.916 2.110) 10.248 3.208 ( 1.927 -4.773 1.719) 5.427 3.208 ( 1.927 4.773 1.719) 5.427 3.382 ( -2.377 -0.467 -1.530) 2.866 3.382 ( -2.377 0.467 -1.530) 2.866 3.484 ( -0.296 -6.583 1.939) 6.869 3.484 ( -0.296 6.583 1.939) 6.869 3.629 ( -1.736 -5.553 -0.123) 5.820 3.629 ( -1.736 5.553 -0.123) 5.820 3.754 ( 2.149 -5.934 3.185) 7.069 3.754 ( 2.149 5.934 3.185) 7.069 4.047 ( -3.402 -3.535 -0.085) 4.907 4.047 ( -3.402 3.535 -0.085) 4.907 4.163 ( 1.700 -1.470 -3.446) 4.114 4.163 ( 1.700 1.470 -3.446) 4.114 4.490 ( -0.052 -0.784 -0.609) 0.994 4.490 ( -0.052 0.784 -0.609) 0.994 4.677 ( -0.779 -2.100 -1.199) 2.540 4.677 ( -0.779 2.100 -1.199) 2.540 4.815 ( -1.159 -2.042 -1.594) 2.838 4.815 ( -1.159 2.042 -1.594) 2.838 4.913 ( 2.015 -0.607 -0.923) 2.298 4.913 ( 2.015 0.607 -0.923) 2.298 5.070 ( 1.725 -1.100 -5.550) 5.915 5.070 ( 1.725 1.100 -5.550) 5.915 5.308 ( 0.746 -2.156 1.170) 2.564 5.308 ( 0.746 2.156 1.170) 2.564 5.592 ( -1.102 -4.431 2.741) 5.325 5.592 ( -1.102 4.431 2.741) 5.325 5.689 ( -2.687 -1.086 -0.138) 2.901 5.689 ( -2.687 1.086 -0.138) 2.901 5.871 ( 2.506 -4.495 1.928) 5.496 5.871 ( 2.506 4.495 1.928) 5.496 5.959 ( -3.548 -3.778 2.313) 5.676 5.959 ( -3.548 3.778 2.313) 5.676 6.278 ( -0.512 -2.672 0.291) 2.736 6.278 ( -0.512 2.672 0.291) 2.736 6.432 ( -6.482 -0.445 -0.709) 6.536 6.432 ( -6.482 0.445 -0.709) 6.536 6.551 ( -0.759 -2.900 0.245) 3.008 6.551 ( -0.759 2.900 0.245) 3.008 6.675 ( 2.404 -2.231 1.215) 3.497 6.675 ( 2.404 2.231 1.215) 3.497 6.846 ( 2.519 -0.989 -0.683) 2.791 6.846 ( 2.519 0.989 -0.683) 2.791 7.033 ( -2.794 -2.023 1.591) 3.799 7.033 ( -2.794 2.023 1.591) 3.799 7.090 ( 1.220 -1.114 0.082) 1.654 7.090 ( 1.220 1.114 0.082) 1.654 7.279 ( 1.196 -1.259 0.351) 1.772 7.279 ( 1.196 1.259 0.351) 1.772 7.451 ( 2.587 -5.760 -1.400) 6.468 7.451 ( 2.587 5.760 -1.400) 6.468 7.669 ( -1.170 -3.826 -0.266) 4.009 7.669 ( -1.170 3.826 -0.266) 4.009 8.041 ( 0.413 -1.775 -0.450) 1.877 8.041 ( 0.413 1.775 -0.450) 1.877 8.151 ( 0.818 -5.819 -1.719) 6.123 8.151 ( 0.818 5.819 -1.719) 6.123 8.417 ( 0.762 -0.642 0.127) 1.005 8.417 ( 0.762 0.642 0.127) 1.005 8.892 ( -4.005 -2.102 -4.645) 6.483 8.892 ( -4.005 2.102 -4.645) 6.483 11.692 ( -0.835 -0.282 0.717) 1.136 11.692 ( -0.835 0.282 0.717) 1.136 11.745 ( -0.106 -0.345 0.027) 0.362 11.745 ( -0.106 0.345 0.027) 0.362 14.018 ( -1.465 -0.627 0.418) 1.647 14.018 ( -1.465 0.627 0.418) 1.647 14.099 ( 3.636 -0.812 1.049) 3.870 14.099 ( 3.636 0.812 1.049) 3.870 15.479 ( -0.548 -2.054 -1.999) 2.918 15.479 ( -0.548 2.054 -1.999) 2.918 15.756 ( 2.387 -5.974 2.784) 7.010 15.756 ( 2.387 5.974 2.784) 7.010 16.416 ( -0.044 -2.336 -4.142) 4.755 16.416 ( -0.044 2.336 -4.142) 4.755 16.678 ( -2.193 -1.999 -1.043) 3.145 16.678 ( -2.193 1.999 -1.043) 3.145 ======================= Grid point 88 (50/75) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 11.796 -8.828 8.924) 17.225 1.491 ( 11.796 8.828 8.924) 17.225 1.703 ( 6.039 -8.134 10.720) 14.749 1.703 ( 6.039 8.134 10.720) 14.749 1.929 ( -4.467 -2.019 1.263) 5.062 1.929 ( -4.467 2.019 1.263) 5.062 2.081 ( 3.095 -4.332 -2.443) 5.858 2.081 ( 3.095 4.332 -2.443) 5.858 2.172 ( -0.132 -2.753 -3.320) 4.315 2.172 ( -0.132 2.753 -3.320) 4.315 2.300 ( -1.747 -6.243 -4.972) 8.170 2.300 ( -1.747 6.243 -4.972) 8.170 2.540 ( -2.692 -2.101 0.979) 3.552 2.540 ( -2.692 2.101 0.979) 3.552 2.639 ( -2.571 -4.497 -1.856) 5.503 2.639 ( -2.571 4.497 -1.856) 5.503 2.999 ( 4.872 -10.017 4.154) 11.889 2.999 ( 4.872 10.017 4.154) 11.889 3.184 ( -5.045 -9.034 0.667) 10.368 3.184 ( -5.045 9.034 0.667) 10.368 3.334 ( -1.465 -1.128 -2.015) 2.735 3.334 ( -1.465 1.128 -2.015) 2.735 3.459 ( -2.074 -6.145 0.350) 6.495 3.459 ( -2.074 6.145 0.350) 6.495 3.599 ( -1.761 -3.806 1.718) 4.532 3.599 ( -1.761 3.806 1.718) 4.532 3.819 ( 2.367 -11.533 3.062) 12.165 3.819 ( 2.367 11.533 3.062) 12.165 3.984 ( -2.678 -1.830 2.357) 4.009 3.984 ( -2.678 1.830 2.357) 4.009 4.190 ( 2.348 -2.631 -4.256) 5.527 4.190 ( 2.348 2.631 -4.256) 5.527 4.468 ( -1.776 -2.543 -0.387) 3.125 4.468 ( -1.776 2.543 -0.387) 3.125 4.657 ( -0.703 -0.833 -2.062) 2.332 4.657 ( -0.703 0.833 -2.062) 2.332 4.782 ( -1.416 -1.498 -1.329) 2.453 4.782 ( -1.416 1.498 -1.329) 2.453 4.948 ( 1.772 -1.434 0.254) 2.293 4.948 ( 1.772 1.434 0.254) 2.293 5.095 ( 2.784 -0.683 -5.393) 6.108 5.095 ( 2.784 0.683 -5.393) 6.108 5.334 ( 1.038 -2.094 1.413) 2.731 5.334 ( 1.038 2.094 1.413) 2.731 5.581 ( -1.112 -4.120 3.181) 5.323 5.581 ( -1.112 4.120 3.181) 5.323 5.634 ( -2.218 -2.582 -0.735) 3.482 5.634 ( -2.218 2.582 -0.735) 3.482 5.876 ( -4.634 -3.316 1.212) 5.826 5.876 ( -4.634 3.316 1.212) 5.826 5.935 ( 2.007 -5.036 1.088) 5.529 5.935 ( 2.007 5.036 1.088) 5.529 6.255 ( -2.242 -0.550 0.250) 2.322 6.255 ( -2.242 0.550 0.250) 2.322 6.331 ( -2.155 -0.971 -1.164) 2.634 6.331 ( -2.155 0.971 -1.164) 2.634 6.523 ( -1.468 -1.800 -1.658) 2.854 6.523 ( -1.468 1.800 -1.658) 2.854 6.720 ( 1.432 -1.720 2.929) 3.686 6.720 ( 1.432 1.720 2.929) 3.686 6.909 ( 0.937 -1.318 0.537) 1.704 6.909 ( 0.937 1.318 0.537) 1.704 6.982 ( -1.047 -0.395 3.406) 3.585 6.982 ( -1.047 0.395 3.406) 3.585 7.131 ( 2.928 -2.253 0.949) 3.815 7.131 ( 2.928 2.253 0.949) 3.815 7.314 ( 2.004 -2.501 -1.775) 3.664 7.314 ( 2.004 2.501 -1.775) 3.664 7.474 ( -0.012 -4.719 -1.615) 4.988 7.474 ( -0.012 4.719 -1.615) 4.988 7.655 ( 0.094 -2.996 0.203) 3.005 7.655 ( 0.094 2.996 0.203) 3.005 8.041 ( 0.005 -0.557 -1.240) 1.359 8.041 ( 0.005 0.557 -1.240) 1.359 8.144 ( -0.780 -5.217 -1.936) 5.619 8.144 ( -0.780 5.217 -1.936) 5.619 8.442 ( 1.336 -1.401 1.033) 2.194 8.442 ( 1.336 1.401 1.033) 2.194 8.796 ( -3.856 -3.431 -3.012) 5.976 8.796 ( -3.856 3.431 -3.012) 5.976 11.679 ( -0.800 -0.402 1.062) 1.389 11.679 ( -0.800 0.402 1.062) 1.389 11.738 ( -0.505 -0.498 -0.309) 0.774 11.738 ( -0.505 0.498 -0.309) 0.774 14.005 ( -0.386 -0.984 1.070) 1.504 14.005 ( -0.386 0.984 1.070) 1.504 14.180 ( 3.965 -0.431 1.007) 4.113 14.180 ( 3.965 0.431 1.007) 4.113 15.461 ( -0.479 -2.106 -2.140) 3.041 15.461 ( -0.479 2.106 -2.140) 3.041 15.797 ( 0.834 -6.416 1.698) 6.690 15.797 ( 0.834 6.416 1.698) 6.690 16.392 ( -0.711 -2.512 -4.098) 4.859 16.392 ( -0.711 2.512 -4.098) 4.859 16.639 ( -1.382 -2.924 0.031) 3.235 16.639 ( -1.382 2.924 0.031) 3.235 ======================= Grid point 90 (51/75) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.593 -1.284 7.354) 7.634 1.698 ( 1.593 1.284 7.354) 7.634 1.842 ( -2.378 -5.645 2.256) 6.528 1.842 ( -2.378 5.645 2.256) 6.528 1.916 ( 10.886 -2.386 4.289) 11.941 1.916 ( 10.886 2.386 4.289) 11.941 2.081 ( -1.486 -2.367 -0.194) 2.802 2.081 ( -1.486 2.367 -0.194) 2.802 2.175 ( 2.661 -1.405 3.196) 4.390 2.175 ( 2.661 1.405 3.196) 4.390 2.315 ( 3.830 -3.249 -3.372) 6.049 2.315 ( 3.830 3.249 -3.372) 6.049 2.509 ( -2.025 -3.683 1.217) 4.375 2.509 ( -2.025 3.683 1.217) 4.375 2.553 ( -2.214 -2.936 -7.780) 8.606 2.553 ( -2.214 2.936 -7.780) 8.606 3.022 ( -5.642 -9.556 -2.290) 11.331 3.022 ( -5.642 9.556 -2.290) 11.331 3.137 ( 2.925 -4.408 -0.786) 5.348 3.137 ( 2.925 4.408 -0.786) 5.348 3.287 ( -3.057 -4.767 -0.350) 5.674 3.287 ( -3.057 4.767 -0.350) 5.674 3.402 ( -4.064 -7.162 -0.684) 8.263 3.402 ( -4.064 7.162 -0.684) 8.263 3.595 ( -0.086 -8.967 6.641) 11.159 3.595 ( -0.086 8.967 6.641) 11.159 3.822 ( -2.596 -8.955 1.065) 9.384 3.822 ( -2.596 8.955 1.065) 9.384 3.984 ( 0.546 -0.611 3.889) 3.974 3.984 ( 0.546 0.611 3.889) 3.974 4.232 ( 4.126 -2.442 -3.568) 5.976 4.232 ( 4.126 2.442 -3.568) 5.976 4.435 ( -1.211 -2.556 -0.300) 2.844 4.435 ( -1.211 2.556 -0.300) 2.844 4.634 ( -0.600 -1.233 -3.713) 3.958 4.634 ( -0.600 1.233 -3.713) 3.958 4.764 ( 0.060 -1.429 -0.381) 1.481 4.764 ( 0.060 1.429 -0.381) 1.481 4.978 ( 0.899 -2.076 0.840) 2.413 4.978 ( 0.899 2.076 0.840) 2.413 5.117 ( 1.284 -0.690 -4.909) 5.121 5.117 ( 1.284 0.690 -4.909) 5.121 5.347 ( 0.020 -2.745 0.217) 2.753 5.347 ( 0.020 2.745 0.217) 2.753 5.574 ( -1.520 -2.727 4.908) 5.817 5.574 ( -1.520 2.727 4.908) 5.817 5.614 ( 0.680 -1.945 -0.336) 2.087 5.614 ( 0.680 1.945 -0.336) 2.087 5.785 ( -4.621 -1.029 -0.053) 4.734 5.785 ( -4.621 1.029 -0.053) 4.734 5.955 ( -0.182 -3.030 -0.381) 3.059 5.955 ( -0.182 3.030 -0.381) 3.059 6.219 ( -0.688 -1.145 0.303) 1.369 6.219 ( -0.688 1.145 0.303) 1.369 6.346 ( 2.782 -1.750 -0.485) 3.322 6.346 ( 2.782 1.750 -0.485) 3.322 6.498 ( -0.230 -2.249 -2.082) 3.073 6.498 ( -0.230 2.249 -2.082) 3.073 6.737 ( -0.741 -2.164 2.462) 3.361 6.737 ( -0.741 2.164 2.462) 3.361 6.888 ( -1.420 -1.382 3.185) 3.751 6.888 ( -1.420 1.382 3.185) 3.751 7.016 ( 1.401 -0.719 2.152) 2.667 7.016 ( 1.401 0.719 2.152) 2.667 7.198 ( 2.644 -2.499 1.536) 3.949 7.198 ( 2.644 2.499 1.536) 3.949 7.326 ( 0.506 -2.531 -2.709) 3.741 7.326 ( 0.506 2.531 -2.709) 3.741 7.449 ( -1.461 -2.879 -1.152) 3.428 7.449 ( -1.461 2.879 -1.152) 3.428 7.677 ( 1.898 -1.513 -0.163) 2.433 7.677 ( 1.898 1.513 -0.163) 2.433 8.031 ( -0.789 -1.699 -1.349) 2.308 8.031 ( -0.789 1.699 -1.349) 2.308 8.112 ( -1.480 -2.794 -1.911) 3.694 8.112 ( -1.480 2.794 -1.911) 3.694 8.470 ( 1.000 -1.682 1.829) 2.679 8.470 ( 1.000 1.682 1.829) 2.679 8.740 ( -0.738 -3.555 -2.684) 4.515 8.740 ( -0.738 3.555 -2.684) 4.515 11.673 ( -0.220 -0.659 1.259) 1.438 11.673 ( -0.220 0.659 1.259) 1.438 11.725 ( -0.543 -0.432 -0.521) 0.868 11.725 ( -0.543 0.432 -0.521) 0.868 14.004 ( -0.316 -1.358 1.430) 1.997 14.004 ( -0.316 1.358 1.430) 1.997 14.248 ( 2.698 -1.837 0.868) 3.377 14.248 ( 2.698 1.837 0.868) 3.377 15.446 ( -0.210 -2.305 -2.135) 3.149 15.446 ( -0.210 2.305 -2.135) 3.149 15.801 ( -0.829 -5.167 1.110) 5.350 15.801 ( -0.829 5.167 1.110) 5.350 16.366 ( -0.261 -2.075 -3.601) 4.164 16.366 ( -0.261 2.075 -3.601) 4.164 16.628 ( 0.039 -3.146 0.237) 3.155 16.628 ( 0.039 3.146 0.237) 3.155 ======================= Grid point 92 (52/75) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -8.713 -5.487 7.951) 13.009 1.628 ( -8.713 5.487 7.951) 13.009 1.740 ( -9.546 -9.158 5.482) 14.320 1.740 ( -9.546 9.158 5.482) 14.320 2.065 ( 4.450 -3.925 -2.988) 6.644 2.065 ( 4.450 3.925 -2.988) 6.644 2.117 ( 2.405 -0.870 0.319) 2.577 2.117 ( 2.405 0.870 0.319) 2.577 2.277 ( 1.683 -4.358 4.050) 6.183 2.277 ( 1.683 4.358 4.050) 6.183 2.391 ( 1.966 -1.579 -0.474) 2.566 2.391 ( 1.966 1.579 -0.474) 2.566 2.492 ( 7.492 -4.138 -0.848) 8.601 2.492 ( 7.492 4.138 -0.848) 8.601 2.574 ( 6.490 -5.096 -6.744) 10.657 2.574 ( 6.490 5.096 -6.744) 10.657 2.888 ( -6.344 -6.353 -3.059) 9.485 2.888 ( -6.344 6.353 -3.059) 9.485 3.127 ( -6.175 -5.677 -0.695) 8.417 3.127 ( -6.175 5.677 -0.695) 8.417 3.255 ( 0.951 -7.003 2.409) 7.466 3.255 ( 0.951 7.003 2.409) 7.466 3.330 ( -2.192 -5.722 -1.307) 6.265 3.330 ( -2.192 5.722 -1.307) 6.265 3.629 ( -0.085 -8.340 8.388) 11.829 3.629 ( -0.085 8.340 8.388) 11.829 3.773 ( -1.764 -3.359 -0.267) 3.804 3.773 ( -1.764 3.359 -0.267) 3.804 4.008 ( 0.868 -2.510 2.552) 3.683 4.008 ( 0.868 2.510 2.552) 3.683 4.303 ( 3.601 -0.849 -4.071) 5.501 4.303 ( 3.601 0.849 -4.071) 5.501 4.435 ( 1.635 -2.082 0.109) 2.650 4.435 ( 1.635 2.082 0.109) 2.650 4.607 ( -0.383 -2.366 -4.158) 4.799 4.607 ( -0.383 2.366 -4.158) 4.799 4.782 ( 1.622 -0.803 0.022) 1.810 4.782 ( 1.622 0.803 0.022) 1.810 4.980 ( -0.957 -2.678 0.341) 2.864 4.980 ( -0.957 2.678 0.341) 2.864 5.105 ( -0.294 -1.342 -4.892) 5.082 5.105 ( -0.294 1.342 -4.892) 5.082 5.352 ( 0.964 -1.976 0.217) 2.210 5.352 ( 0.964 1.976 0.217) 2.210 5.542 ( -3.865 -2.508 4.004) 6.104 5.542 ( -3.865 2.508 4.004) 6.104 5.652 ( 2.322 -1.841 1.619) 3.377 5.652 ( 2.322 1.841 1.619) 3.377 5.734 ( -0.086 -2.896 1.343) 3.194 5.734 ( -0.086 2.896 1.343) 3.194 5.931 ( -1.937 -1.242 -1.075) 2.539 5.931 ( -1.937 1.242 -1.075) 2.539 6.229 ( 1.234 -0.941 0.843) 1.766 6.229 ( 1.234 0.941 0.843) 1.766 6.377 ( -0.019 -0.916 -2.269) 2.447 6.377 ( -0.019 0.916 -2.269) 2.447 6.514 ( 2.825 -2.577 -1.670) 4.173 6.514 ( 2.825 2.577 -1.670) 4.173 6.731 ( -0.281 -1.712 1.801) 2.501 6.731 ( -0.281 1.712 1.801) 2.501 6.899 ( 0.991 -2.283 4.204) 4.885 6.899 ( 0.991 2.283 4.204) 4.885 7.034 ( -0.341 -0.149 2.067) 2.100 7.034 ( -0.341 0.149 2.067) 2.100 7.205 ( -1.708 -2.361 -1.090) 3.111 7.205 ( -1.708 2.361 -1.090) 3.111 7.339 ( 0.540 -0.146 -0.150) 0.579 7.339 ( 0.540 0.146 -0.150) 0.579 7.421 ( -0.389 -3.200 -1.310) 3.479 7.421 ( -0.389 3.200 -1.310) 3.479 7.715 ( 2.097 -1.348 -0.987) 2.681 7.715 ( 2.097 1.348 -0.987) 2.681 8.000 ( -1.630 -1.823 -0.889) 2.602 8.000 ( -1.630 1.823 -0.889) 2.602 8.086 ( -0.595 -2.547 -1.572) 3.052 8.086 ( -0.595 2.547 -1.572) 3.052 8.489 ( 0.003 -2.534 1.898) 3.166 8.489 ( 0.003 2.534 1.898) 3.166 8.747 ( 2.634 -3.606 -3.267) 5.533 8.747 ( 2.634 3.606 -3.267) 5.533 11.680 ( 0.425 -0.865 1.286) 1.607 11.680 ( 0.425 0.865 1.286) 1.607 11.715 ( -0.281 -0.231 -0.522) 0.637 11.715 ( -0.281 0.231 -0.522) 0.637 14.001 ( -0.589 -1.313 1.462) 2.052 14.001 ( -0.589 1.313 1.462) 2.052 14.285 ( 0.870 -3.583 0.315) 3.700 14.285 ( 0.870 3.583 0.315) 3.700 15.437 ( 0.112 -2.274 -1.658) 2.817 15.437 ( 0.112 2.274 -1.658) 2.817 15.779 ( -1.869 -3.531 0.902) 4.095 15.779 ( -1.869 3.531 0.902) 4.095 16.358 ( 0.827 -1.828 -3.222) 3.796 16.358 ( 0.827 1.828 -3.222) 3.796 16.639 ( 1.093 -2.681 0.014) 2.896 16.639 ( 1.093 2.681 0.014) 2.896 ======================= Grid point 94 (53/75) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.132 -10.143 10.335) 16.608 1.495 ( -8.132 10.143 10.335) 16.608 1.571 ( -10.154 -13.426 10.446) 19.811 1.571 ( -10.154 13.426 10.446) 19.811 2.078 ( -2.347 -3.503 -4.303) 6.025 2.078 ( -2.347 3.503 -4.303) 6.025 2.146 ( 1.994 -4.674 -5.845) 7.746 2.146 ( 1.994 4.674 -5.845) 7.746 2.265 ( -0.874 -5.891 -0.872) 6.018 2.265 ( -0.874 5.891 -0.872) 6.018 2.415 ( 1.868 -3.634 0.102) 4.087 2.415 ( 1.868 3.634 0.102) 4.087 2.598 ( 2.084 -5.208 -5.032) 7.535 2.598 ( 2.084 5.208 -5.031) 7.535 2.704 ( -2.918 -12.122 7.922) 14.771 2.704 ( -2.918 12.122 7.922) 14.771 2.842 ( 7.604 -1.624 -2.058) 8.044 2.842 ( 7.604 1.624 -2.058) 8.044 3.008 ( -2.450 -8.244 2.836) 9.056 3.008 ( -2.450 8.244 2.836) 9.056 3.262 ( -0.662 -2.101 -2.106) 3.048 3.262 ( -0.662 2.101 -2.106) 3.048 3.343 ( 2.872 -3.861 1.275) 4.979 3.343 ( 2.872 3.861 1.275) 4.979 3.642 ( -0.995 -3.476 5.946) 6.959 3.642 ( -0.995 3.476 5.946) 6.959 3.758 ( -0.598 -2.166 0.792) 2.382 3.758 ( -0.598 2.166 0.792) 2.382 4.047 ( 2.609 -4.981 0.674) 5.664 4.047 ( 2.609 4.981 0.674) 5.664 4.308 ( -1.269 -1.522 -4.495) 4.912 4.308 ( -1.269 1.522 -4.495) 4.912 4.473 ( 0.951 -3.270 -0.416) 3.431 4.473 ( 0.951 3.270 -0.416) 3.431 4.617 ( 3.339 -3.368 -2.193) 5.225 4.617 ( 3.339 3.368 -2.193) 5.225 4.811 ( 1.299 -1.028 -0.889) 1.880 4.811 ( 1.299 1.028 -0.889) 1.880 4.948 ( -2.038 -2.573 -0.936) 3.413 4.948 ( -2.038 2.573 -0.936) 3.413 5.081 ( 0.006 -1.384 -5.295) 5.473 5.081 ( 0.006 1.384 -5.295) 5.473 5.393 ( 2.358 -1.651 1.843) 3.418 5.393 ( 2.358 1.651 1.843) 3.418 5.475 ( -3.648 -2.395 2.544) 5.052 5.475 ( -3.648 2.395 2.544) 5.052 5.701 ( 2.433 -0.990 0.859) 2.764 5.701 ( 2.433 0.990 0.859) 2.764 5.782 ( 2.626 -5.427 4.573) 7.567 5.782 ( 2.626 5.427 4.573) 7.567 5.885 ( -1.930 -1.233 -0.117) 2.293 5.885 ( -1.930 1.233 -0.117) 2.293 6.260 ( 0.841 -1.851 1.259) 2.391 6.260 ( 0.841 1.851 1.259) 2.391 6.359 ( 1.163 -0.855 -3.110) 3.429 6.359 ( 1.163 0.855 -3.110) 3.429 6.562 ( 2.161 -3.401 -1.641) 4.351 6.562 ( 2.161 3.401 -1.641) 4.351 6.732 ( -0.909 -1.102 1.718) 2.234 6.732 ( -0.909 1.102 1.718) 2.234 6.950 ( 2.579 -2.071 2.898) 4.398 6.950 ( 2.579 2.071 2.898) 4.398 7.025 ( -1.185 -1.559 1.555) 2.500 7.025 ( -1.185 1.559 1.555) 2.500 7.156 ( -2.646 -2.391 -1.080) 3.726 7.156 ( -2.646 2.391 -1.080) 3.726 7.303 ( -3.215 -2.665 -0.955) 4.283 7.303 ( -3.215 2.665 -0.955) 4.283 7.437 ( 1.274 -3.405 -0.500) 3.670 7.437 ( 1.274 3.405 -0.500) 3.670 7.737 ( 0.478 -2.050 -1.533) 2.604 7.737 ( 0.478 2.050 -1.533) 2.604 7.981 ( 0.260 -1.650 -0.465) 1.734 7.981 ( 0.260 1.650 -0.465) 1.734 8.074 ( -0.060 -4.050 -0.781) 4.125 8.074 ( -0.060 4.050 -0.781) 4.125 8.482 ( -1.256 -5.053 0.809) 5.269 8.482 ( -1.256 5.053 0.809) 5.269 8.811 ( 5.394 -3.420 -4.053) 7.564 8.811 ( 5.394 3.420 -4.053) 7.564 11.696 ( 0.658 -0.667 0.956) 1.339 11.696 ( 0.658 0.667 0.956) 1.339 11.712 ( 0.135 -0.234 -0.134) 0.301 11.712 ( 0.135 0.234 -0.134) 0.301 13.994 ( -0.558 -0.885 1.264) 1.641 13.994 ( -0.558 0.885 1.264) 1.641 14.276 ( -2.044 -5.159 -0.785) 5.604 14.276 ( -2.044 5.159 -0.785) 5.604 15.441 ( 0.863 -1.799 -0.752) 2.132 15.441 ( 0.863 1.799 -0.752) 2.132 15.739 ( -2.577 -2.128 1.277) 3.578 15.739 ( -2.577 2.128 1.277) 3.578 16.373 ( 1.966 -1.669 -3.213) 4.120 16.373 ( 1.966 1.669 -3.213) 4.120 16.668 ( 1.977 -2.138 -0.544) 2.962 16.668 ( 1.977 2.138 -0.544) 2.962 ======================= Grid point 96 (54/75) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -6.005 -13.111 11.638) 18.531 1.406 ( -6.005 13.111 11.638) 18.531 1.466 ( -5.418 -16.981 13.410) 22.306 1.466 ( -5.418 16.981 13.410) 22.306 1.994 ( -2.808 -2.886 -6.701) 7.817 1.994 ( -2.808 2.886 -6.701) 7.817 2.136 ( 0.074 -5.909 -7.253) 9.355 2.136 ( 0.074 5.909 -7.253) 9.355 2.235 ( -2.855 -2.765 -1.342) 4.195 2.235 ( -2.855 2.765 -1.342) 4.195 2.428 ( -3.548 -10.957 13.715) 17.909 2.428 ( -3.548 10.957 13.715) 17.909 2.576 ( 0.891 -1.545 -6.343) 6.589 2.576 ( 0.891 1.545 -6.343) 6.589 2.665 ( -1.517 -5.741 2.633) 6.495 2.665 ( -1.517 5.741 2.633) 6.495 2.937 ( 2.948 -2.447 -1.545) 4.131 2.937 ( 2.948 2.447 -1.545) 4.131 3.080 ( 3.489 -8.746 2.019) 9.630 3.080 ( 3.489 8.746 2.019) 9.630 3.282 ( 4.371 -2.607 0.680) 5.135 3.282 ( 4.371 2.607 0.680) 5.135 3.398 ( 2.514 -4.825 0.544) 5.467 3.398 ( 2.514 4.825 0.544) 5.467 3.659 ( 0.793 -5.420 4.006) 6.786 3.659 ( 0.793 5.420 4.006) 6.786 3.739 ( -1.791 -2.457 1.072) 3.224 3.739 ( -1.791 2.457 1.072) 3.224 4.094 ( 1.769 -5.070 -1.131) 5.488 4.094 ( 1.769 5.070 -1.131) 5.488 4.236 ( -3.868 -2.392 -3.451) 5.709 4.236 ( -3.868 2.392 -3.451) 5.709 4.476 ( 0.102 -2.352 -0.140) 2.358 4.476 ( 0.102 2.352 -0.140) 2.358 4.681 ( 2.669 -2.407 -0.720) 3.666 4.681 ( 2.669 2.407 -0.720) 3.666 4.822 ( 0.774 -0.685 -2.155) 2.390 4.822 ( 0.774 0.685 -2.155) 2.390 4.907 ( -1.465 -1.694 -1.784) 2.864 4.907 ( -1.465 1.694 -1.784) 2.864 5.070 ( 0.983 -1.022 -5.569) 5.746 5.070 ( 0.983 1.022 -5.569) 5.746 5.373 ( -4.076 -3.021 1.271) 5.230 5.373 ( -4.076 3.021 1.271) 5.230 5.500 ( 3.939 -3.539 3.020) 6.096 5.500 ( 3.939 3.539 3.020) 6.096 5.747 ( 0.920 -3.504 0.433) 3.649 5.747 ( 0.920 3.504 0.433) 3.649 5.801 ( -0.353 -4.412 1.830) 4.790 5.801 ( -0.353 4.412 1.830) 4.790 5.917 ( 3.569 -1.450 4.449) 5.885 5.917 ( 3.569 1.450 4.449) 5.885 6.261 ( -0.210 -2.358 0.548) 2.430 6.261 ( -0.210 2.358 0.548) 2.430 6.431 ( 6.011 -1.301 -0.683) 6.188 6.431 ( 6.011 1.301 -0.683) 6.188 6.574 ( -0.070 -3.404 -1.403) 3.683 6.574 ( -0.070 3.404 -1.403) 3.683 6.694 ( -3.793 -2.552 1.278) 4.747 6.694 ( -3.793 2.552 1.278) 4.747 6.975 ( -2.423 -1.721 -0.476) 3.010 6.975 ( -2.423 1.721 -0.476) 3.010 7.006 ( -0.383 -4.000 0.034) 4.018 7.006 ( -0.383 4.000 0.034) 4.018 7.114 ( -1.011 -1.251 0.164) 1.616 7.114 ( -1.011 1.251 0.164) 1.616 7.254 ( -0.740 -3.337 -0.003) 3.418 7.254 ( -0.740 3.337 -0.003) 3.418 7.438 ( -0.921 -2.486 -0.525) 2.703 7.438 ( -0.921 2.486 -0.525) 2.703 7.723 ( -1.134 -0.327 -1.362) 1.803 7.723 ( -1.134 0.327 -1.362) 1.803 8.001 ( 1.451 -0.349 0.148) 1.500 8.001 ( 1.451 0.349 0.148) 1.500 8.086 ( 1.729 -3.387 -0.627) 3.854 8.086 ( 1.729 3.387 -0.627) 3.854 8.451 ( -1.830 -5.945 -0.329) 6.229 8.451 ( -1.830 5.945 -0.329) 6.229 8.904 ( 5.533 -2.331 -5.370) 8.055 8.904 ( 5.533 2.331 -5.370) 8.055 11.704 ( 0.018 -0.200 0.150) 0.251 11.704 ( 0.018 0.200 0.150) 0.251 11.724 ( 0.825 -0.627 0.680) 1.240 11.724 ( 0.825 0.627 0.680) 1.240 13.995 ( 0.304 -0.258 1.039) 1.113 13.995 ( 0.304 0.258 1.039) 1.113 14.199 ( -5.244 -4.403 -1.403) 6.989 14.199 ( -5.244 4.403 -1.403) 6.989 15.466 ( 1.818 -1.930 -0.546) 2.707 15.466 ( 1.818 1.930 -0.546) 2.707 15.700 ( -1.953 -1.254 2.609) 3.492 15.700 ( -1.953 1.254 2.609) 3.492 16.402 ( 2.187 -0.885 -3.506) 4.226 16.402 ( 2.187 0.885 -3.506) 4.226 16.704 ( 1.854 -1.897 -1.542) 3.068 16.704 ( 1.854 1.897 -1.542) 3.068 ======================= Grid point 105 (55/75) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.901 0.000 19.456) 19.549 1.319 ( -1.401 0.000 20.067) 20.116 1.616 ( -1.884 0.000 -14.159) 14.283 1.634 ( 2.579 0.000 -12.311) 12.579 1.936 ( 0.881 0.000 -0.743) 1.153 1.943 ( -3.424 0.000 0.152) 3.427 2.090 ( -1.848 0.000 0.400) 1.891 2.122 ( 1.418 0.000 -2.028) 2.475 2.205 ( 1.009 0.000 5.629) 5.719 2.277 ( -2.286 0.000 -3.207) 3.938 2.398 ( -2.814 0.000 3.811) 4.737 2.422 ( 0.195 0.000 0.771) 0.796 2.485 ( -0.795 0.000 21.812) 21.826 2.561 ( -1.023 0.000 1.156) 1.544 2.654 ( -0.665 0.000 -3.097) 3.167 2.767 ( -0.810 0.000 0.703) 1.073 2.869 ( 2.224 0.000 -3.522) 4.165 2.967 ( 0.599 0.000 -14.684) 14.697 3.069 ( -7.891 0.000 0.475) 7.905 3.073 ( 8.311 0.000 -0.098) 8.311 3.366 ( 1.932 0.000 -0.226) 1.945 3.375 ( 0.732 0.000 0.004) 0.732 3.598 ( 2.522 0.000 4.155) 4.860 3.626 ( -0.378 0.000 1.121) 1.183 3.723 ( -0.061 0.000 0.276) 0.283 3.735 ( -0.796 0.000 -0.883) 1.189 3.901 ( -3.115 0.000 -1.327) 3.385 3.917 ( 1.993 0.000 -3.828) 4.316 3.980 ( -9.720 0.000 5.153) 11.001 4.047 ( 12.100 0.000 -1.586) 12.203 4.250 ( -0.563 0.000 2.106) 2.180 4.259 ( -0.923 0.000 0.624) 1.114 4.443 ( -0.054 0.000 1.295) 1.296 4.480 ( -1.084 0.000 -2.285) 2.529 4.591 ( -1.749 0.000 4.561) 4.885 4.669 ( 1.469 0.000 -3.180) 3.503 4.740 ( -1.299 0.000 -1.815) 2.232 4.756 ( 1.863 0.000 -2.762) 3.332 4.879 ( -1.898 0.000 -0.148) 1.904 4.908 ( 1.752 0.000 -1.972) 2.638 4.990 ( -1.350 0.000 -1.380) 1.931 5.004 ( 1.407 0.000 -2.272) 2.672 5.249 ( -1.821 0.000 3.121) 3.613 5.298 ( 0.775 0.000 -2.049) 2.190 5.519 ( -2.491 0.000 1.790) 3.067 5.543 ( 2.592 0.000 -0.881) 2.738 5.686 ( -3.018 0.000 3.060) 4.298 5.764 ( 2.647 0.000 -4.940) 5.605 5.791 ( 2.780 0.000 2.360) 3.646 5.827 ( -1.987 0.000 -1.737) 2.640 6.167 ( 1.180 0.000 4.538) 4.689 6.198 ( -0.750 0.000 1.274) 1.478 6.246 ( 0.172 0.000 3.043) 3.048 6.323 ( -0.371 0.000 -4.687) 4.701 6.405 ( 4.127 0.000 3.829) 5.630 6.463 ( -1.900 0.000 -2.168) 2.883 6.577 ( 3.462 0.000 -1.561) 3.798 6.577 ( -1.473 0.000 -1.266) 1.942 6.653 ( -6.057 0.000 0.210) 6.061 6.669 ( 0.989 0.000 -1.546) 1.836 6.950 ( -2.358 0.000 1.208) 2.650 6.961 ( 0.027 0.000 0.185) 0.186 7.045 ( 3.808 0.000 1.684) 4.164 7.077 ( -3.445 0.000 -1.181) 3.642 7.114 ( 0.351 0.000 3.002) 3.023 7.167 ( -1.967 0.000 0.139) 1.972 7.168 ( 1.992 0.000 -2.130) 2.916 7.175 ( 3.583 0.000 -0.778) 3.667 7.515 ( -0.734 0.000 0.561) 0.924 7.539 ( 0.996 0.000 -2.190) 2.406 7.683 ( 5.410 0.000 -0.496) 5.433 7.689 ( -6.946 0.000 -1.384) 7.082 7.808 ( 0.684 0.000 0.852) 1.092 7.826 ( -1.188 0.000 -0.980) 1.540 7.995 ( 0.113 0.000 0.910) 0.917 7.997 ( 0.921 0.000 0.585) 1.091 8.573 ( 0.649 0.000 0.168) 0.670 8.593 ( -0.418 0.000 -1.928) 1.972 8.765 ( 1.016 0.000 0.640) 1.201 8.775 ( -1.139 0.000 -0.360) 1.194 11.706 ( -0.167 0.000 0.549) 0.574 11.712 ( -0.180 0.000 0.013) 0.181 11.740 ( 1.066 0.000 0.172) 1.080 11.741 ( -0.662 0.000 -0.032) 0.663 14.029 ( -1.261 0.000 0.688) 1.437 14.030 ( 2.056 0.000 0.631) 2.151 14.088 ( 2.292 0.000 0.607) 2.371 14.108 ( -5.806 0.000 -1.473) 5.990 15.440 ( 0.475 0.000 1.707) 1.772 15.490 ( -0.213 0.000 -3.628) 3.634 15.748 ( -2.960 0.000 5.937) 6.634 15.854 ( 5.963 0.000 -5.173) 7.894 16.283 ( 0.366 0.000 1.848) 1.883 16.321 ( 0.038 0.000 -2.215) 2.215 16.695 ( -0.954 0.000 0.812) 1.253 16.720 ( 0.083 0.000 -1.756) 1.758 ======================= Grid point 106 (56/75) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 3.553 0.000 11.964) 12.481 1.451 ( 5.886 0.000 15.940) 16.992 1.593 ( 5.327 0.000 -9.938) 11.276 1.642 ( 4.187 0.000 -13.597) 14.228 1.904 ( -0.798 0.000 0.760) 1.102 1.983 ( 2.948 0.000 3.020) 4.220 2.053 ( -2.054 0.000 1.666) 2.645 2.150 ( 1.918 0.000 -1.322) 2.330 2.197 ( -3.262 0.000 -2.870) 4.345 2.206 ( -3.339 0.000 3.206) 4.629 2.370 ( -1.830 0.000 6.146) 6.413 2.419 ( -2.578 0.000 2.888) 3.872 2.522 ( -2.928 0.000 3.850) 4.837 2.542 ( -1.031 0.000 1.722) 2.007 2.698 ( 5.912 0.000 12.851) 14.145 2.726 ( -3.719 0.000 3.023) 4.793 2.865 ( -1.221 0.000 -1.851) 2.218 2.921 ( -5.017 0.000 -3.712) 6.241 2.950 ( 1.536 0.000 -12.415) 12.510 3.229 ( 6.456 0.000 -1.389) 6.603 3.355 ( -1.922 0.000 -1.187) 2.259 3.379 ( 0.227 0.000 -2.863) 2.872 3.590 ( -4.146 0.000 -3.496) 5.424 3.603 ( -2.253 0.000 1.708) 2.827 3.721 ( -0.337 0.000 1.103) 1.154 3.724 ( 0.110 0.000 1.485) 1.489 3.803 ( -9.379 0.000 1.463) 9.493 3.863 ( 0.146 0.000 1.189) 1.198 3.977 ( 4.241 0.000 -2.446) 4.896 4.228 ( 0.197 0.000 0.919) 0.940 4.238 ( 4.821 0.000 -2.946) 5.650 4.243 ( -0.795 0.000 1.942) 2.098 4.425 ( -2.587 0.000 2.317) 3.473 4.450 ( -1.234 0.000 -1.545) 1.977 4.565 ( -2.498 0.000 4.206) 4.892 4.660 ( -1.321 0.000 -3.062) 3.335 4.715 ( -1.403 0.000 -0.257) 1.427 4.797 ( 4.000 0.000 -3.594) 5.377 4.859 ( 0.019 0.000 1.418) 1.418 4.934 ( 2.017 0.000 -2.305) 3.062 4.968 ( -0.322 0.000 0.086) 0.333 5.034 ( 2.131 0.000 -2.163) 3.037 5.264 ( 1.714 0.000 3.275) 3.696 5.331 ( 3.043 0.000 -0.339) 3.062 5.504 ( 0.322 0.000 1.440) 1.476 5.587 ( 0.366 0.000 -1.021) 1.085 5.650 ( -0.068 0.000 3.592) 3.593 5.748 ( -1.905 0.000 -3.285) 3.798 5.800 ( 0.068 0.000 -3.416) 3.417 5.822 ( -0.910 0.000 0.795) 1.208 6.144 ( -5.126 0.000 2.129) 5.550 6.154 ( -3.728 0.000 0.293) 3.739 6.272 ( 1.026 0.000 3.616) 3.759 6.302 ( -0.029 0.000 -3.752) 3.752 6.407 ( -0.852 0.000 -3.913) 4.005 6.412 ( -8.326 0.000 -1.806) 8.520 6.448 ( -7.908 0.000 0.191) 7.911 6.475 ( 0.634 0.000 3.489) 3.546 6.763 ( 5.832 0.000 0.080) 5.832 6.814 ( 7.356 0.000 1.557) 7.519 6.874 ( -3.441 0.000 2.422) 4.208 6.923 ( -2.150 0.000 1.392) 2.561 6.993 ( -2.884 0.000 -1.627) 3.311 7.119 ( -2.412 0.000 -0.501) 2.464 7.126 ( 0.148 0.000 1.921) 1.927 7.140 ( 5.284 0.000 -0.223) 5.288 7.197 ( 3.394 0.000 -0.242) 3.402 7.269 ( 1.481 0.000 -2.330) 2.760 7.499 ( -1.184 0.000 0.045) 1.184 7.537 ( -0.299 0.000 -1.605) 1.633 7.576 ( -4.191 0.000 -0.191) 4.196 7.786 ( 4.843 0.000 0.623) 4.882 7.827 ( -0.163 0.000 1.494) 1.503 7.844 ( 4.006 0.000 -0.587) 4.048 7.999 ( 0.488 0.000 -0.875) 1.002 8.013 ( 0.734 0.000 -0.738) 1.040 8.581 ( -0.791 0.000 0.105) 0.798 8.587 ( 0.754 0.000 -1.172) 1.394 8.733 ( -2.272 0.000 -0.211) 2.282 8.761 ( -1.648 0.000 0.514) 1.727 11.701 ( -0.624 0.000 0.695) 0.934 11.704 ( -0.627 0.000 0.336) 0.711 11.726 ( -0.689 0.000 -0.631) 0.934 11.753 ( 0.184 0.000 -0.040) 0.189 14.007 ( -0.789 0.000 0.493) 0.931 14.033 ( -1.408 0.000 -0.331) 1.446 14.098 ( 4.177 0.000 0.987) 4.292 14.166 ( 4.031 0.000 3.461) 5.313 15.443 ( -0.891 0.000 1.657) 1.881 15.466 ( -0.657 0.000 -3.472) 3.534 15.723 ( -1.417 0.000 3.806) 4.062 15.921 ( 3.339 0.000 -8.199) 8.853 16.295 ( 0.057 0.000 1.336) 1.338 16.314 ( 0.118 0.000 -2.442) 2.445 16.668 ( -2.180 0.000 1.596) 2.702 16.704 ( -1.036 0.000 -0.552) 1.174 ======================= Grid point 107 (57/75) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.374 0.000 -0.717) 7.408 1.599 ( 3.621 0.000 10.342) 10.958 1.721 ( 8.981 0.000 -3.029) 9.478 1.723 ( 9.264 0.000 -9.116) 12.997 1.904 ( -0.509 0.000 3.450) 3.487 2.030 ( -0.021 0.000 2.527) 2.527 2.056 ( 1.866 0.000 6.320) 6.590 2.131 ( -3.981 0.000 -1.971) 4.442 2.146 ( -2.936 0.000 -0.309) 2.952 2.183 ( 2.644 0.000 0.109) 2.646 2.348 ( -3.165 0.000 6.765) 7.469 2.379 ( -0.720 0.000 -1.059) 1.280 2.445 ( -4.897 0.000 -0.854) 4.970 2.536 ( -1.777 0.000 3.621) 4.033 2.669 ( -3.134 0.000 0.171) 3.139 2.771 ( -3.074 0.000 -6.219) 6.937 2.803 ( -5.335 0.000 5.877) 7.937 2.945 ( 8.423 0.000 15.322) 17.485 2.986 ( 6.322 0.000 -12.503) 14.010 3.247 ( -2.831 0.000 -2.977) 4.108 3.326 ( -1.685 0.000 -0.442) 1.742 3.362 ( -1.394 0.000 -2.757) 3.090 3.466 ( -4.536 0.000 -6.380) 7.828 3.551 ( -4.351 0.000 2.079) 4.822 3.614 ( -7.889 0.000 -0.298) 7.894 3.735 ( -0.032 0.000 0.706) 0.707 3.788 ( 4.984 0.000 2.023) 5.379 3.901 ( 2.182 0.000 2.694) 3.466 4.041 ( 3.425 0.000 -1.867) 3.901 4.173 ( -3.632 0.000 1.847) 4.075 4.236 ( -0.271 0.000 -0.427) 0.505 4.259 ( -4.239 0.000 -0.014) 4.239 4.408 ( 1.064 0.000 -1.407) 1.765 4.419 ( -1.370 0.000 -2.496) 2.847 4.534 ( -2.079 0.000 2.055) 2.923 4.581 ( -5.422 0.000 -1.183) 5.550 4.700 ( 0.291 0.000 0.251) 0.384 4.869 ( 2.170 0.000 -1.114) 2.440 4.885 ( 3.305 0.000 -1.234) 3.527 4.975 ( 0.991 0.000 2.816) 2.985 4.980 ( 2.834 0.000 -2.999) 4.126 5.061 ( 1.779 0.000 -2.270) 2.884 5.307 ( 0.732 0.000 2.909) 2.999 5.404 ( 3.879 0.000 2.000) 4.364 5.544 ( 3.414 0.000 1.654) 3.793 5.552 ( -2.301 0.000 0.455) 2.346 5.677 ( -1.167 0.000 -0.877) 1.459 5.715 ( -0.091 0.000 -3.207) 3.208 5.772 ( -1.930 0.000 -2.394) 3.075 5.786 ( -0.054 0.000 -0.349) 0.354 6.019 ( -7.202 0.000 0.700) 7.236 6.073 ( -4.426 0.000 -0.802) 4.499 6.273 ( -5.224 0.000 -0.100) 5.225 6.288 ( -3.345 0.000 -0.598) 3.398 6.309 ( 0.982 0.000 3.432) 3.569 6.322 ( -1.497 0.000 -1.526) 2.138 6.437 ( 3.524 0.000 -1.552) 3.851 6.472 ( -1.887 0.000 2.227) 2.919 6.733 ( -3.005 0.000 -1.243) 3.252 6.848 ( -1.859 0.000 4.245) 4.634 6.945 ( 4.617 0.000 0.527) 4.647 6.947 ( 0.184 0.000 -2.337) 2.344 6.972 ( 0.692 0.000 0.683) 0.972 7.085 ( -0.019 0.000 1.367) 1.368 7.150 ( 2.033 0.000 0.926) 2.234 7.233 ( 3.848 0.000 -1.199) 4.030 7.249 ( 1.690 0.000 0.319) 1.720 7.275 ( 1.141 0.000 2.068) 2.362 7.448 ( -3.751 0.000 -2.257) 4.378 7.518 ( -1.107 0.000 -1.338) 1.737 7.547 ( 1.288 0.000 1.073) 1.677 7.797 ( -3.433 0.000 1.561) 3.772 7.864 ( 3.135 0.000 0.955) 3.277 7.931 ( 3.886 0.000 -0.952) 4.001 8.005 ( 0.629 0.000 -2.406) 2.487 8.020 ( 0.534 0.000 -2.012) 2.081 8.541 ( -2.509 0.000 1.035) 2.714 8.613 ( 1.735 0.000 0.656) 1.855 8.713 ( 0.170 0.000 -0.866) 0.883 8.714 ( -3.103 0.000 -0.110) 3.105 11.690 ( -0.763 0.000 0.853) 1.144 11.696 ( -0.272 0.000 0.295) 0.401 11.712 ( -0.504 0.000 -0.715) 0.874 11.747 ( -0.741 0.000 -0.168) 0.760 14.004 ( -0.025 0.000 1.139) 1.140 14.028 ( 0.528 0.000 -0.548) 0.761 14.191 ( 5.056 0.000 -0.041) 5.056 14.242 ( 1.820 0.000 4.995) 5.316 15.423 ( -1.530 0.000 1.134) 1.905 15.444 ( -0.240 0.000 -3.379) 3.388 15.726 ( 0.321 0.000 2.950) 2.967 15.920 ( 0.026 0.000 -7.722) 7.722 16.292 ( -0.780 0.000 0.788) 1.108 16.306 ( 0.084 0.000 -2.453) 2.454 16.637 ( -1.478 0.000 2.225) 2.671 16.685 ( -0.582 0.000 -0.637) 0.863 ======================= Grid point 108 (58/75) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.610 0.000 6.137) 6.167 1.666 ( 5.852 0.000 -2.311) 6.292 1.865 ( 6.716 0.000 -3.472) 7.561 1.871 ( 5.244 0.000 -2.913) 5.999 1.911 ( -1.580 0.000 9.379) 9.512 1.996 ( -4.960 0.000 0.535) 4.989 2.060 ( 2.583 0.000 -1.077) 2.799 2.084 ( -2.327 0.000 -2.612) 3.498 2.171 ( 5.890 0.000 8.205) 10.100 2.255 ( 3.937 0.000 -2.058) 4.443 2.314 ( -3.003 0.000 3.644) 4.722 2.365 ( -0.503 0.000 -3.510) 3.546 2.368 ( -0.288 0.000 -4.061) 4.071 2.482 ( -6.180 0.000 -0.974) 6.256 2.565 ( -3.070 0.000 1.568) 3.447 2.671 ( -4.084 0.000 -5.013) 6.466 2.869 ( 6.966 0.000 9.853) 12.067 3.073 ( 6.124 0.000 -6.454) 8.897 3.098 ( 0.925 0.000 1.372) 1.654 3.137 ( -7.590 0.000 2.306) 7.932 3.280 ( -2.963 0.000 2.852) 4.113 3.298 ( -2.760 0.000 -0.156) 2.764 3.422 ( -6.345 0.000 -1.137) 6.447 3.425 ( 0.925 0.000 -4.945) 5.031 3.567 ( 1.013 0.000 3.730) 3.866 3.711 ( -2.247 0.000 -2.243) 3.175 3.910 ( 6.290 0.000 1.526) 6.472 3.937 ( -0.304 0.000 2.824) 2.841 4.091 ( 2.060 0.000 -1.016) 2.297 4.112 ( -3.588 0.000 1.031) 3.733 4.183 ( -2.263 0.000 3.421) 4.102 4.232 ( 0.721 0.000 -3.227) 3.307 4.380 ( -1.114 0.000 -2.734) 2.953 4.399 ( -1.358 0.000 -2.828) 3.137 4.500 ( -2.022 0.000 0.517) 2.088 4.510 ( -0.385 0.000 -0.974) 1.047 4.731 ( 2.558 0.000 1.542) 2.987 4.841 ( -3.059 0.000 -1.371) 3.352 4.962 ( 4.170 0.000 -2.852) 5.052 4.978 ( -1.440 0.000 2.054) 2.508 5.038 ( 3.294 0.000 -1.892) 3.798 5.078 ( 0.217 0.000 -1.693) 1.707 5.322 ( 0.572 0.000 3.347) 3.395 5.438 ( -2.081 0.000 -0.301) 2.103 5.555 ( 3.384 0.000 0.968) 3.519 5.604 ( -0.063 0.000 1.930) 1.931 5.622 ( -1.206 0.000 -0.466) 1.293 5.710 ( -3.474 0.000 -0.984) 3.610 5.737 ( 4.313 0.000 -2.436) 4.954 5.828 ( 0.933 0.000 -0.637) 1.129 5.906 ( -3.752 0.000 2.029) 4.266 5.986 ( -4.274 0.000 -0.834) 4.355 6.203 ( -3.069 0.000 0.659) 3.138 6.209 ( -1.017 0.000 -1.125) 1.517 6.336 ( 0.155 0.000 2.360) 2.365 6.351 ( 2.977 0.000 -2.178) 3.689 6.440 ( -1.730 0.000 2.312) 2.887 6.486 ( 1.626 0.000 -2.470) 2.957 6.723 ( 2.154 0.000 1.435) 2.588 6.837 ( -1.582 0.000 3.182) 3.554 6.883 ( -3.962 0.000 -0.483) 3.992 6.973 ( 0.788 0.000 -3.371) 3.462 7.023 ( 1.557 0.000 3.556) 3.882 7.096 ( -0.215 0.000 0.304) 0.373 7.209 ( 3.716 0.000 -0.207) 3.722 7.264 ( -0.231 0.000 1.533) 1.551 7.278 ( -2.348 0.000 -0.097) 2.350 7.290 ( 2.095 0.000 -0.538) 2.163 7.408 ( 0.948 0.000 -0.093) 0.953 7.488 ( -1.275 0.000 -2.246) 2.582 7.612 ( 4.757 0.000 1.436) 4.969 7.721 ( -4.678 0.000 0.453) 4.700 7.915 ( 1.706 0.000 2.034) 2.655 7.965 ( 0.372 0.000 -0.179) 0.413 8.001 ( -0.037 0.000 -2.591) 2.591 8.008 ( -1.200 0.000 -2.720) 2.973 8.537 ( 1.751 0.000 1.837) 2.538 8.628 ( -1.873 0.000 -0.651) 1.983 8.668 ( -0.215 0.000 1.057) 1.079 8.717 ( 0.586 0.000 -2.070) 2.151 11.681 ( -0.435 0.000 0.990) 1.082 11.695 ( 0.026 0.000 -0.357) 0.358 11.707 ( 0.302 0.000 0.043) 0.305 11.727 ( -1.074 0.000 -0.246) 1.102 14.009 ( -0.062 0.000 1.603) 1.605 14.036 ( 0.476 0.000 -1.001) 1.108 14.267 ( -1.052 0.000 4.364) 4.489 14.281 ( 4.541 0.000 -1.416) 4.757 15.402 ( -1.003 0.000 0.946) 1.379 15.432 ( 0.271 0.000 -3.144) 3.156 15.749 ( 0.590 0.000 3.620) 3.668 15.875 ( -1.701 0.000 -5.767) 6.012 16.276 ( -1.027 0.000 0.839) 1.326 16.300 ( 0.318 0.000 -2.267) 2.289 16.633 ( 0.016 0.000 2.163) 2.164 16.677 ( 0.095 0.000 -1.587) 1.589 ======================= Grid point 109 (59/75) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -9.960 0.000 6.616) 11.957 1.673 ( -7.017 0.000 6.426) 9.515 1.825 ( -6.764 0.000 0.057) 6.764 1.854 ( -3.500 0.000 0.048) 3.500 1.965 ( 1.713 0.000 1.164) 2.071 1.992 ( 5.458 0.000 0.163) 5.460 2.073 ( 2.851 0.000 -4.902) 5.671 2.183 ( 4.467 0.000 -9.340) 10.353 2.239 ( -2.208 0.000 0.287) 2.227 2.268 ( -1.732 0.000 -2.015) 2.657 2.312 ( 2.697 0.000 2.046) 3.385 2.317 ( -2.124 0.000 1.130) 2.406 2.408 ( 5.539 0.000 -4.711) 7.271 2.436 ( 7.352 0.000 3.579) 8.177 2.607 ( -0.918 0.000 -2.658) 2.812 2.608 ( 3.839 0.000 0.362) 3.856 2.925 ( -14.348 0.000 9.063) 16.971 3.050 ( -4.033 0.000 -9.318) 10.153 3.051 ( 7.419 0.000 5.819) 9.429 3.158 ( 3.361 0.000 -0.255) 3.371 3.259 ( 0.279 0.000 4.342) 4.351 3.294 ( 1.653 0.000 2.314) 2.844 3.352 ( -2.018 0.000 1.249) 2.373 3.427 ( 1.144 0.000 -1.391) 1.801 3.637 ( 3.354 0.000 5.674) 6.591 3.648 ( -2.156 0.000 -4.449) 4.944 3.895 ( -4.616 0.000 1.466) 4.843 4.007 ( 2.828 0.000 -3.199) 4.270 4.067 ( -1.787 0.000 1.733) 2.489 4.114 ( 1.344 0.000 2.249) 2.620 4.192 ( 1.233 0.000 1.631) 2.044 4.239 ( 1.116 0.000 -3.668) 3.834 4.365 ( -0.370 0.000 -1.286) 1.338 4.378 ( 1.633 0.000 -1.195) 2.024 4.513 ( 3.152 0.000 -1.117) 3.344 4.517 ( 1.690 0.000 -1.387) 2.187 4.772 ( -2.877 0.000 -2.648) 3.910 4.804 ( 4.009 0.000 2.251) 4.598 4.934 ( -3.538 0.000 0.579) 3.585 5.010 ( 1.800 0.000 -2.619) 3.178 5.046 ( -2.505 0.000 -1.455) 2.897 5.071 ( 0.496 0.000 -1.375) 1.461 5.382 ( 4.143 0.000 4.595) 6.187 5.388 ( -1.302 0.000 -3.210) 3.465 5.554 ( -4.615 0.000 1.419) 4.828 5.613 ( 1.413 0.000 0.964) 1.711 5.651 ( -1.600 0.000 -1.783) 2.395 5.655 ( 2.206 0.000 2.416) 3.272 5.733 ( -6.230 0.000 0.005) 6.230 5.820 ( 2.300 0.000 -0.463) 2.346 5.924 ( -0.306 0.000 0.090) 0.319 5.939 ( 2.503 0.000 3.711) 4.476 6.200 ( 2.653 0.000 -0.146) 2.657 6.225 ( 3.022 0.000 -1.280) 3.282 6.320 ( -2.065 0.000 0.543) 2.135 6.392 ( 1.823 0.000 -3.536) 3.978 6.438 ( -0.018 0.000 2.748) 2.748 6.496 ( 1.639 0.000 -3.459) 3.828 6.760 ( -4.457 0.000 -2.427) 5.075 6.800 ( 4.010 0.000 3.344) 5.222 6.866 ( -0.800 0.000 6.259) 6.310 6.964 ( -0.048 0.000 -4.268) 4.269 7.050 ( 0.005 0.000 4.163) 4.163 7.082 ( -1.008 0.000 -0.864) 1.328 7.202 ( -4.082 0.000 -0.634) 4.131 7.249 ( -1.655 0.000 2.299) 2.833 7.286 ( 3.553 0.000 -0.217) 3.560 7.313 ( 0.292 0.000 -2.774) 2.789 7.448 ( -1.626 0.000 -3.563) 3.916 7.450 ( 2.554 0.000 1.937) 3.206 7.636 ( -3.722 0.000 -1.221) 3.917 7.722 ( 5.880 0.000 0.405) 5.894 7.945 ( 0.392 0.000 2.928) 2.954 7.953 ( -3.047 0.000 -0.658) 3.117 7.966 ( -0.504 0.000 -0.266) 0.570 7.984 ( -1.203 0.000 -1.180) 1.685 8.578 ( -1.398 0.000 -2.372) 2.753 8.604 ( 3.859 0.000 1.584) 4.171 8.684 ( 0.575 0.000 1.403) 1.516 8.712 ( -0.147 0.000 -3.357) 3.360 11.682 ( 0.138 0.000 0.968) 0.978 11.695 ( 0.278 0.000 -0.583) 0.646 11.709 ( -0.688 0.000 -0.175) 0.710 11.721 ( 0.940 0.000 0.501) 1.065 14.011 ( -0.372 0.000 1.639) 1.680 14.034 ( -0.252 0.000 -1.087) 1.116 14.241 ( -2.914 0.000 2.635) 3.929 14.346 ( 3.033 0.000 -3.655) 4.750 15.393 ( -0.281 0.000 1.171) 1.204 15.430 ( 0.755 0.000 -2.342) 2.461 15.772 ( 0.005 0.000 5.006) 5.006 15.819 ( -2.219 0.000 -3.712) 4.325 16.265 ( -0.592 0.000 1.441) 1.558 16.304 ( 0.929 0.000 -2.053) 2.253 16.649 ( 0.911 0.000 1.414) 1.682 16.676 ( 0.714 0.000 -2.512) 2.611 ======================= Grid point 110 (60/75) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -11.880 0.000 11.539) 16.561 1.501 ( -12.844 0.000 12.927) 18.223 1.705 ( -5.018 0.000 -0.556) 5.049 1.790 ( -1.659 0.000 -7.770) 7.945 1.987 ( -0.083 0.000 -3.292) 3.293 2.060 ( 0.396 0.000 2.686) 2.715 2.110 ( 1.789 0.000 -5.535) 5.817 2.153 ( -3.435 0.000 -2.828) 4.449 2.176 ( 1.689 0.000 -5.437) 5.693 2.192 ( -1.643 0.000 -0.185) 1.654 2.378 ( 4.026 0.000 -0.038) 4.026 2.459 ( 7.595 0.000 -1.502) 7.742 2.498 ( 5.219 0.000 -6.894) 8.646 2.575 ( -2.892 0.000 15.341) 15.611 2.592 ( 0.227 0.000 -0.309) 0.383 2.675 ( 2.917 0.000 1.765) 3.409 2.724 ( -4.019 0.000 5.238) 6.602 2.967 ( -0.133 0.000 -9.142) 9.143 3.132 ( -4.353 0.000 -1.808) 4.714 3.161 ( 1.353 0.000 4.242) 4.452 3.326 ( -0.137 0.000 1.295) 1.303 3.335 ( 1.541 0.000 -1.715) 2.305 3.336 ( 4.303 0.000 6.778) 8.028 3.544 ( 10.457 0.000 5.045) 11.610 3.620 ( 0.610 0.000 -2.947) 3.009 3.712 ( 2.316 0.000 3.424) 4.134 3.801 ( -4.822 0.000 -0.330) 4.833 3.987 ( -1.518 0.000 -6.269) 6.450 4.029 ( -2.664 0.000 -0.015) 2.664 4.161 ( -0.046 0.000 6.950) 6.950 4.230 ( 2.212 0.000 0.126) 2.215 4.239 ( 0.125 0.000 -2.121) 2.124 4.384 ( 1.848 0.000 1.147) 2.175 4.426 ( 3.950 0.000 -2.337) 4.589 4.558 ( 2.381 0.000 0.666) 2.473 4.586 ( 4.553 0.000 -3.425) 5.698 4.726 ( -0.647 0.000 -2.408) 2.494 4.854 ( -3.100 0.000 -1.589) 3.484 4.880 ( 1.445 0.000 1.077) 1.802 4.979 ( -2.734 0.000 -2.696) 3.840 5.023 ( -0.052 0.000 -2.219) 2.220 5.051 ( -1.587 0.000 -1.278) 2.038 5.363 ( -0.772 0.000 -3.096) 3.191 5.407 ( -5.088 0.000 1.742) 5.378 5.549 ( 3.918 0.000 1.818) 4.319 5.574 ( -4.706 0.000 -1.561) 4.958 5.643 ( 0.301 0.000 3.527) 3.540 5.648 ( 2.117 0.000 1.645) 2.681 5.739 ( 1.671 0.000 2.122) 2.700 5.805 ( -0.363 0.000 -2.554) 2.580 6.001 ( 5.999 0.000 2.465) 6.486 6.004 ( 2.751 0.000 5.790) 6.411 6.276 ( -2.012 0.000 1.931) 2.789 6.283 ( 5.507 0.000 -0.683) 5.549 6.305 ( 4.260 0.000 -1.070) 4.392 6.387 ( -0.139 0.000 -4.909) 4.911 6.426 ( -1.776 0.000 0.245) 1.792 6.530 ( 2.675 0.000 -3.727) 4.588 6.709 ( 0.121 0.000 1.182) 1.188 6.875 ( 2.318 0.000 3.101) 3.872 6.879 ( 0.371 0.000 4.355) 4.371 6.942 ( -1.393 0.000 -2.835) 3.159 7.044 ( -2.693 0.000 -3.742) 4.610 7.065 ( 0.667 0.000 2.864) 2.941 7.133 ( -2.992 0.000 2.014) 3.606 7.205 ( -3.585 0.000 1.796) 4.010 7.287 ( -1.700 0.000 -2.956) 3.410 7.298 ( -3.232 0.000 -0.355) 3.252 7.449 ( 3.930 0.000 -2.385) 4.597 7.504 ( 2.229 0.000 0.315) 2.251 7.581 ( -1.078 0.000 -2.406) 2.637 7.818 ( 3.788 0.000 -0.681) 3.848 7.884 ( -3.446 0.000 -0.979) 3.583 7.925 ( -3.919 0.000 -0.352) 3.934 7.964 ( -0.033 0.000 1.646) 1.647 7.968 ( 0.035 0.000 3.337) 3.337 8.574 ( 1.794 0.000 -2.397) 2.994 8.644 ( -1.380 0.000 -2.111) 2.522 8.699 ( 0.731 0.000 0.673) 0.994 8.713 ( 2.701 0.000 -0.695) 2.789 11.694 ( 0.718 0.000 0.641) 0.963 11.701 ( 0.555 0.000 -0.465) 0.724 11.702 ( -0.032 0.000 0.181) 0.184 11.740 ( 0.683 0.000 0.588) 0.901 14.010 ( -0.245 0.000 1.308) 1.331 14.021 ( -0.715 0.000 -0.676) 0.984 14.182 ( -3.819 0.000 0.901) 3.923 14.351 ( -1.074 0.000 -6.399) 6.488 15.400 ( 0.434 0.000 1.414) 1.479 15.449 ( 2.093 0.000 -1.483) 2.565 15.770 ( -1.443 0.000 -1.791) 2.300 15.785 ( -1.081 0.000 6.466) 6.555 16.264 ( -0.211 0.000 1.981) 1.992 16.317 ( 1.118 0.000 -1.909) 2.212 16.674 ( 1.208 0.000 0.583) 1.342 16.687 ( 1.613 0.000 -3.048) 3.449 ======================= Grid point 111 (61/75) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -6.528 0.000 17.547) 18.722 1.343 ( -8.860 0.000 17.636) 19.737 1.642 ( -0.441 0.000 -5.269) 5.287 1.718 ( -2.423 0.000 -12.083) 12.323 1.952 ( -0.958 0.000 -4.961) 5.053 2.023 ( -4.476 0.000 0.972) 4.580 2.105 ( 0.050 0.000 -0.770) 0.771 2.115 ( 0.373 0.000 -3.815) 3.833 2.183 ( -0.252 0.000 1.363) 1.386 2.240 ( 5.059 0.000 -1.264) 5.215 2.420 ( -0.632 0.000 3.112) 3.175 2.475 ( -2.902 0.000 -4.529) 5.379 2.476 ( -8.402 0.000 24.720) 26.109 2.561 ( 1.848 0.000 -2.048) 2.758 2.635 ( 4.056 0.000 -3.611) 5.430 2.740 ( 2.831 0.000 1.745) 3.325 2.806 ( 5.917 0.000 -3.526) 6.888 2.970 ( 3.017 0.000 -3.758) 4.819 3.028 ( -2.735 0.000 -8.328) 8.766 3.178 ( -2.573 0.000 2.864) 3.850 3.335 ( 0.230 0.000 -0.430) 0.487 3.339 ( 1.619 0.000 1.954) 2.537 3.481 ( 6.421 0.000 7.546) 9.908 3.626 ( 0.290 0.000 -0.698) 0.756 3.732 ( -1.435 0.000 0.529) 1.529 3.743 ( 0.443 0.000 -0.178) 0.478 3.795 ( 12.720 0.000 2.210) 12.910 3.933 ( -1.260 0.000 -5.864) 5.998 3.973 ( -2.751 0.000 -1.652) 3.209 4.121 ( -7.016 0.000 7.891) 10.559 4.244 ( 0.688 0.000 -0.006) 0.688 4.261 ( 0.866 0.000 -0.608) 1.058 4.423 ( 1.419 0.000 1.546) 2.098 4.485 ( 2.345 0.000 -2.965) 3.780 4.593 ( 0.144 0.000 3.312) 3.315 4.639 ( 2.658 0.000 -3.527) 4.416 4.731 ( 1.661 0.000 -1.719) 2.391 4.787 ( -2.465 0.000 -3.140) 3.992 4.893 ( 0.402 0.000 -1.543) 1.594 4.921 ( -2.163 0.000 -2.248) 3.119 5.006 ( -0.389 0.000 -2.764) 2.791 5.020 ( -1.285 0.000 -0.879) 1.557 5.308 ( -5.102 0.000 2.083) 5.511 5.320 ( -1.919 0.000 -2.702) 3.314 5.525 ( -0.331 0.000 -1.036) 1.088 5.565 ( -2.142 0.000 1.756) 2.770 5.681 ( 2.084 0.000 3.379) 3.970 5.717 ( 3.621 0.000 -3.158) 4.805 5.756 ( -0.275 0.000 1.817) 1.838 5.833 ( 2.394 0.000 -1.133) 2.649 6.091 ( 3.683 0.000 6.481) 7.455 6.140 ( 6.350 0.000 2.529) 6.835 6.248 ( -1.308 0.000 2.146) 2.513 6.339 ( 0.048 0.000 2.933) 2.933 6.348 ( -0.184 0.000 -3.383) 3.388 6.406 ( 5.878 0.000 -1.823) 6.154 6.465 ( 6.513 0.000 -1.257) 6.633 6.546 ( 0.449 0.000 -3.955) 3.981 6.746 ( 0.145 0.000 2.007) 2.012 6.834 ( -8.502 0.000 -0.044) 8.502 6.921 ( 2.593 0.000 -0.674) 2.679 6.935 ( 2.392 0.000 0.162) 2.397 6.973 ( -0.071 0.000 -1.296) 1.298 7.097 ( 1.002 0.000 1.564) 1.858 7.108 ( -0.895 0.000 3.049) 3.178 7.139 ( -3.462 0.000 0.038) 3.463 7.226 ( -3.653 0.000 1.955) 4.144 7.232 ( -2.747 0.000 -2.876) 3.977 7.514 ( 2.490 0.000 -1.850) 3.102 7.525 ( -0.021 0.000 -0.212) 0.213 7.597 ( 3.866 0.000 -1.951) 4.330 7.806 ( -4.219 0.000 -1.757) 4.570 7.837 ( -4.067 0.000 0.012) 4.067 7.852 ( -0.267 0.000 -1.041) 1.074 7.978 ( 0.720 0.000 1.274) 1.463 7.984 ( 0.320 0.000 2.364) 2.386 8.588 ( -2.256 0.000 -1.382) 2.646 8.600 ( 0.937 0.000 -1.835) 2.060 8.727 ( 2.150 0.000 0.350) 2.178 8.766 ( 2.061 0.000 -0.079) 2.062 11.704 ( 0.190 0.000 0.281) 0.339 11.710 ( 0.415 0.000 -0.292) 0.508 11.716 ( 1.177 0.000 0.529) 1.291 11.748 ( -0.095 0.000 0.456) 0.466 14.010 ( -0.008 0.000 0.122) 0.122 14.019 ( 0.813 0.000 1.111) 1.377 14.112 ( -3.353 0.000 -0.349) 3.371 14.250 ( -6.476 0.000 -5.677) 8.612 15.419 ( 0.869 0.000 1.570) 1.795 15.488 ( 2.074 0.000 -2.890) 3.558 15.772 ( 2.771 0.000 -1.199) 3.019 15.777 ( -2.455 0.000 7.070) 7.484 16.271 ( 0.114 0.000 2.099) 2.102 16.325 ( 0.473 0.000 -2.002) 2.057 16.695 ( 0.644 0.000 0.333) 0.725 16.710 ( 1.715 0.000 -2.876) 3.348 ======================= Grid point 112 (62/75) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.295 6.849 17.102) 18.714 1.476 ( -0.537 9.692 14.192) 17.194 1.644 ( 1.831 4.560 -11.472) 12.480 1.698 ( 1.637 2.878 -4.249) 5.387 1.870 ( -2.571 -7.324 2.060) 8.031 1.892 ( 0.175 -0.870 -1.576) 1.808 2.062 ( 1.122 -5.666 -1.227) 5.905 2.079 ( -0.295 -2.645 -1.895) 3.268 2.151 ( 0.447 -2.639 2.222) 3.479 2.243 ( -2.814 -4.832 -4.135) 6.955 2.392 ( -4.862 0.632 3.448) 5.993 2.428 ( 2.013 1.160 -0.557) 2.389 2.567 ( -1.278 4.814 10.714) 11.815 2.602 ( -0.567 5.901 6.016) 8.445 2.677 ( -1.654 1.996 0.200) 2.600 2.797 ( 1.450 1.982 -2.608) 3.582 2.823 ( 0.080 -3.507 0.290) 3.520 2.979 ( 1.525 0.824 -11.461) 11.591 3.085 ( 1.178 2.433 3.938) 4.776 3.146 ( -0.368 2.255 -2.217) 3.184 3.361 ( 3.336 -0.156 1.993) 3.889 3.405 ( -0.776 1.708 -1.666) 2.509 3.511 ( 1.762 -5.626 2.243) 6.308 3.531 ( -0.779 -3.194 -0.299) 3.301 3.655 ( 1.639 -3.390 4.919) 6.194 3.746 ( -1.525 -2.094 -3.914) 4.694 3.889 ( -5.142 -7.990 3.740) 10.211 3.910 ( 4.565 -6.645 4.620) 9.292 3.977 ( 0.893 2.504 -2.680) 3.774 4.013 ( -0.095 5.339 -3.539) 6.406 4.180 ( 0.032 -4.727 0.529) 4.756 4.207 ( -1.668 -4.700 -1.354) 5.168 4.456 ( 0.824 1.398 1.536) 2.234 4.485 ( -0.952 0.365 -1.132) 1.523 4.644 ( -1.220 3.205 1.926) 3.933 4.685 ( 0.851 0.890 -2.183) 2.506 4.761 ( -0.436 1.742 -1.089) 2.100 4.780 ( 1.549 1.901 -2.348) 3.395 4.854 ( -1.054 -2.057 -0.768) 2.436 4.881 ( 1.376 -2.354 -2.938) 4.008 4.993 ( -0.755 0.656 -0.501) 1.118 5.011 ( 0.957 0.311 -2.010) 2.248 5.287 ( -1.479 2.873 2.304) 3.969 5.319 ( -0.076 1.375 -1.152) 1.795 5.550 ( 1.155 3.373 2.446) 4.323 5.590 ( -0.798 4.274 -1.695) 4.666 5.702 ( -2.468 -0.179 2.775) 3.718 5.768 ( 1.749 -1.597 -4.188) 4.812 5.792 ( 2.525 1.356 2.159) 3.588 5.824 ( -0.823 1.319 -1.410) 2.099 6.111 ( -0.172 -4.740 3.320) 5.790 6.125 ( 0.549 -5.541 1.889) 5.880 6.257 ( 0.270 0.870 2.190) 2.372 6.307 ( 0.273 -1.341 -2.668) 2.998 6.455 ( 2.428 3.967 2.389) 5.229 6.489 ( -1.486 1.853 -0.827) 2.515 6.571 ( 0.663 -0.378 -0.708) 1.041 6.583 ( 1.012 0.160 -1.954) 2.207 6.643 ( -3.105 -0.345 1.526) 3.477 6.676 ( -1.689 0.426 -1.368) 2.215 6.862 ( 1.510 -6.147 2.787) 6.916 6.918 ( -3.593 -4.686 -2.566) 6.438 7.037 ( 3.006 -1.040 1.202) 3.401 7.062 ( -1.782 -2.466 -1.442) 3.367 7.103 ( -0.764 -0.099 2.518) 2.634 7.141 ( -1.086 -1.773 -1.125) 2.364 7.198 ( 1.508 3.915 0.384) 4.213 7.206 ( 1.903 4.238 -0.874) 4.727 7.484 ( 0.009 -4.700 -0.167) 4.703 7.496 ( -0.188 -5.025 -1.161) 5.161 7.639 ( -4.099 1.747 1.841) 4.821 7.674 ( 2.767 1.119 -1.896) 3.536 7.944 ( 1.635 7.403 1.172) 7.671 7.970 ( -1.727 7.651 -1.487) 7.984 8.029 ( -0.410 3.665 0.868) 3.788 8.051 ( 2.305 4.565 -1.588) 5.355 8.482 ( 1.223 -6.469 0.922) 6.648 8.509 ( -1.490 -6.337 -1.902) 6.782 8.825 ( 0.341 3.969 -0.403) 4.004 8.837 ( 0.017 3.722 -1.567) 4.039 11.706 ( -0.146 -0.005 0.424) 0.449 11.710 ( -0.089 -0.166 -0.013) 0.189 11.742 ( 0.205 0.196 0.260) 0.385 11.744 ( 0.127 0.171 -0.012) 0.214 14.030 ( -0.236 0.095 0.701) 0.746 14.032 ( 1.414 0.104 0.443) 1.485 14.088 ( 1.139 -0.016 0.392) 1.205 14.101 ( -4.607 -0.585 -0.997) 4.750 15.446 ( 0.379 0.601 0.913) 1.157 15.481 ( -0.102 -0.842 -2.739) 2.867 15.745 ( -1.964 -0.092 4.442) 4.858 15.809 ( 3.899 -3.339 -1.998) 5.509 16.328 ( 0.159 3.147 -0.232) 3.160 16.346 ( 0.622 2.016 -1.981) 2.894 16.688 ( -0.782 -0.525 0.393) 1.020 16.707 ( 0.132 -1.137 -1.555) 1.931 ======================= Grid point 113 (63/75) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.056 2.883 15.393) 16.178 1.522 ( 2.278 3.923 6.040) 7.554 1.696 ( 1.326 4.822 -4.866) 6.978 1.723 ( 7.528 9.238 -5.877) 13.287 1.864 ( 2.239 -2.832 -3.020) 4.707 1.924 ( 2.186 -4.074 5.924) 7.515 2.055 ( -1.022 -0.363 -0.488) 1.189 2.080 ( 0.204 -5.908 -1.358) 6.066 2.148 ( -2.550 -3.863 2.780) 5.399 2.189 ( -0.248 -2.521 -3.268) 4.135 2.309 ( -4.880 -1.280 5.443) 7.421 2.423 ( -2.151 -4.202 -0.126) 4.722 2.566 ( -2.320 4.603 3.467) 6.212 2.597 ( -2.320 5.086 3.129) 6.406 2.649 ( -2.480 -0.564 4.447) 5.123 2.794 ( -3.037 -3.915 1.044) 5.064 2.838 ( 2.762 6.062 6.439) 9.264 2.978 ( 4.239 3.039 -13.706) 14.665 3.062 ( -2.941 8.836 0.409) 9.321 3.217 ( 4.654 -1.417 -0.900) 4.948 3.345 ( -2.335 -1.165 -2.743) 3.786 3.453 ( 4.126 4.304 -0.660) 5.998 3.486 ( -3.170 -3.789 -1.769) 5.247 3.508 ( -3.158 -8.010 0.829) 8.650 3.672 ( -2.788 -4.583 -1.411) 5.546 3.692 ( -0.957 -2.024 1.876) 2.921 3.765 ( -6.018 -2.551 1.009) 6.614 3.954 ( 0.369 5.905 3.330) 6.789 4.028 ( 2.420 3.813 -2.837) 5.333 4.066 ( 5.487 -12.993 -0.409) 14.110 4.166 ( -2.365 -5.062 1.901) 5.901 4.189 ( 0.172 -4.162 0.215) 4.171 4.450 ( -2.267 2.269 0.748) 3.293 4.482 ( 1.076 1.045 -0.843) 1.720 4.615 ( -2.459 3.463 1.810) 4.617 4.673 ( -1.746 0.780 -1.747) 2.590 4.744 ( -0.970 1.844 -0.555) 2.156 4.815 ( 2.666 0.489 -2.709) 3.832 4.835 ( 0.578 -0.562 -0.978) 1.267 4.915 ( 2.737 -1.855 -1.809) 3.769 4.978 ( -0.219 0.970 -0.526) 1.125 5.028 ( 1.534 -0.563 -1.957) 2.550 5.302 ( 1.433 2.814 3.159) 4.466 5.345 ( 2.437 0.797 0.697) 2.657 5.528 ( -0.775 2.649 -0.550) 2.814 5.629 ( -0.520 3.365 1.138) 3.590 5.670 ( 0.565 1.639 2.493) 3.036 5.724 ( -3.358 -4.158 -1.847) 5.655 5.792 ( -0.339 2.257 -3.962) 4.573 5.846 ( 0.558 2.044 0.281) 2.138 6.083 ( -3.448 -5.013 1.275) 6.217 6.096 ( -3.673 -5.224 0.989) 6.462 6.266 ( 0.036 -0.251 1.848) 1.865 6.294 ( -0.206 -0.895 -2.727) 2.878 6.414 ( -7.167 1.112 -0.706) 7.287 6.442 ( -7.334 -0.415 0.349) 7.354 6.465 ( -2.322 3.773 -2.318) 5.000 6.514 ( 0.518 3.046 2.171) 3.776 6.741 ( 4.599 -1.678 1.600) 5.151 6.792 ( 3.213 -4.274 1.402) 5.528 6.835 ( 1.399 -0.394 0.063) 1.455 6.907 ( 1.986 -2.611 3.239) 4.610 7.015 ( -2.195 2.552 -1.176) 3.566 7.082 ( 1.263 -2.035 1.513) 2.833 7.102 ( -2.157 -1.159 0.764) 2.565 7.128 ( 2.708 -2.452 0.815) 3.743 7.250 ( 2.252 4.032 -2.886) 5.445 7.258 ( 3.501 0.064 -1.429) 3.782 7.415 ( -3.091 -5.423 0.425) 6.256 7.525 ( 0.108 -2.333 -0.979) 2.533 7.599 ( -0.780 3.704 1.892) 4.232 7.722 ( 2.075 -2.838 -0.057) 3.517 7.936 ( -0.619 9.314 -1.704) 9.489 7.973 ( 0.813 5.438 1.119) 5.611 8.021 ( 0.062 1.245 -0.976) 1.583 8.092 ( 2.091 6.168 -2.513) 6.980 8.482 ( -0.452 -6.327 -1.019) 6.424 8.520 ( 1.822 -5.858 1.163) 6.244 8.776 ( -3.902 3.619 -0.371) 5.335 8.819 ( -1.872 2.820 -1.184) 3.586 11.701 ( -0.540 0.037 0.565) 0.783 11.704 ( -0.508 -0.032 0.253) 0.568 11.731 ( -0.667 0.478 -0.418) 0.921 11.751 ( -0.017 -0.247 -0.096) 0.266 14.011 ( -0.660 0.402 0.279) 0.822 14.031 ( -1.138 -0.295 -0.276) 1.208 14.106 ( 3.953 0.780 1.198) 4.204 14.154 ( 3.862 -1.096 2.875) 4.938 15.444 ( -0.886 0.191 0.842) 1.237 15.461 ( -0.655 -0.444 -2.542) 2.663 15.735 ( -0.441 1.367 2.642) 3.007 15.867 ( 2.999 -4.405 -4.518) 6.986 16.315 ( -0.879 2.214 -0.662) 2.472 16.350 ( 0.248 2.052 -2.126) 2.965 16.662 ( -2.019 -0.297 1.205) 2.370 16.692 ( -1.012 -1.088 -0.568) 1.591 ======================= Grid point 114 (64/75) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 7.760 2.938 3.133) 8.870 1.633 ( 6.882 3.301 9.432) 12.133 1.721 ( 3.433 3.126 -4.114) 6.204 1.858 ( 7.588 7.828 -5.195) 12.077 1.912 ( 3.253 1.729 -0.522) 3.721 1.999 ( 2.420 -3.646 5.209) 6.803 2.037 ( -1.647 -0.311 4.880) 5.160 2.089 ( 1.293 -5.180 0.561) 5.368 2.116 ( -0.427 -2.631 -0.865) 2.803 2.167 ( -0.329 0.865 -1.213) 1.526 2.279 ( -0.864 -4.698 4.648) 6.665 2.372 ( -1.721 -5.344 -1.759) 5.883 2.512 ( -4.491 5.673 3.284) 7.946 2.547 ( -4.635 2.535 1.817) 5.586 2.592 ( -3.615 -3.902 -0.292) 5.327 2.725 ( -5.018 -3.462 5.315) 8.088 2.873 ( -2.356 7.280 -4.436) 8.844 3.023 ( 3.306 4.132 -3.575) 6.386 3.049 ( 3.412 5.301 1.460) 6.471 3.250 ( -2.114 -0.739 -2.822) 3.603 3.305 ( 0.184 -2.945 -1.549) 3.332 3.390 ( -5.971 -2.779 -2.922) 7.205 3.422 ( -4.191 -9.080 -0.676) 10.023 3.494 ( -0.749 9.226 -0.398) 9.265 3.628 ( -0.397 -8.518 -2.223) 8.812 3.668 ( -2.287 3.306 1.586) 4.321 3.732 ( 2.716 -2.875 1.827) 4.357 3.983 ( 0.467 3.958 3.546) 5.335 4.062 ( 1.930 1.350 -2.794) 3.655 4.122 ( -1.532 -5.360 2.938) 6.301 4.141 ( 1.198 -8.157 1.299) 8.346 4.196 ( 0.562 -3.440 -0.735) 3.563 4.391 ( -3.356 3.289 0.963) 4.797 4.499 ( 0.422 -0.541 -0.890) 1.124 4.552 ( -4.083 4.815 -1.796) 6.564 4.615 ( -3.206 1.458 -1.002) 3.662 4.723 ( -0.533 1.701 -0.476) 1.845 4.826 ( 0.015 -3.804 0.387) 3.824 4.900 ( 4.998 2.094 -2.959) 6.174 4.963 ( 1.983 -0.993 1.237) 2.540 4.991 ( 2.138 0.559 -2.448) 3.298 5.051 ( 1.569 -1.207 -2.128) 2.906 5.332 ( -0.173 2.136 2.795) 3.522 5.399 ( 2.136 -0.590 2.211) 3.130 5.538 ( 1.978 0.860 -1.661) 2.722 5.597 ( -1.708 2.764 3.103) 4.494 5.644 ( -2.724 -3.061 -2.461) 4.780 5.711 ( -0.013 -2.439 1.046) 2.654 5.768 ( -0.552 3.593 -3.528) 5.066 5.848 ( 0.728 4.215 -0.121) 4.279 5.981 ( -6.586 -3.549 0.816) 7.526 6.037 ( -2.910 -3.362 -1.075) 4.575 6.255 ( -3.715 -0.947 -0.301) 3.845 6.281 ( -1.698 -1.263 0.934) 2.313 6.313 ( -1.462 0.801 1.067) 1.979 6.327 ( -1.324 0.342 -0.997) 1.692 6.456 ( 0.345 1.933 -0.490) 2.024 6.507 ( -1.864 1.739 0.986) 2.733 6.733 ( -1.036 0.561 -0.198) 1.195 6.828 ( 0.065 -2.156 3.435) 4.056 6.915 ( 1.460 -0.405 -0.186) 1.526 6.970 ( 1.745 -0.815 2.702) 3.318 6.995 ( 0.836 2.509 -0.768) 2.754 7.068 ( -0.631 -1.428 2.253) 2.741 7.127 ( 3.107 -0.784 1.354) 3.479 7.197 ( 3.471 -2.887 0.166) 4.518 7.259 ( 0.865 0.101 -1.400) 1.649 7.324 ( 3.696 2.552 -0.899) 4.580 7.372 ( -2.413 -3.343 -0.654) 4.175 7.496 ( -2.031 -0.389 -0.835) 2.230 7.608 ( 0.846 3.248 0.967) 3.492 7.739 ( -0.647 -3.937 0.952) 4.102 7.937 ( 1.009 5.940 -1.184) 6.140 7.986 ( 0.520 3.702 0.182) 3.743 8.026 ( 0.811 1.424 -2.267) 2.797 8.099 ( -0.438 5.041 -2.684) 5.728 8.480 ( 0.434 -3.995 0.393) 4.038 8.556 ( 1.363 -5.090 1.580) 5.501 8.705 ( -2.941 2.057 0.020) 3.589 8.768 ( -2.552 1.247 -1.560) 3.240 11.691 ( -0.656 0.148 0.770) 1.023 11.697 ( -0.297 0.020 0.395) 0.495 11.717 ( -0.592 0.508 -0.653) 1.017 11.742 ( -0.743 -0.442 -0.253) 0.901 14.009 ( 0.053 0.489 0.934) 1.055 14.026 ( 0.438 -0.166 -0.246) 0.529 14.194 ( 4.605 0.351 0.371) 4.634 14.230 ( 2.284 -1.084 3.919) 4.664 15.425 ( -1.219 0.253 0.476) 1.333 15.441 ( -0.397 -0.285 -2.347) 2.397 15.746 ( 0.536 1.980 1.900) 2.796 15.881 ( 0.455 -3.474 -5.047) 6.144 16.298 ( -0.583 1.465 -0.550) 1.670 16.336 ( -0.705 1.366 -2.208) 2.691 16.633 ( -1.407 -0.143 1.866) 2.342 16.672 ( -0.734 -1.228 -0.518) 1.522 ======================= Grid point 115 (65/75) ======================= q-point: ( 0.43 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 4.722 2.725 -0.619) 5.487 1.751 ( -0.767 5.108 2.421) 5.705 1.818 ( 6.350 0.661 4.642) 7.894 1.914 ( -1.201 2.932 1.749) 3.618 1.984 ( 2.703 4.678 -2.952) 6.157 2.001 ( -2.226 -1.414 0.934) 2.797 2.034 ( 0.543 1.090 4.843) 4.994 2.098 ( 1.499 -1.832 -2.263) 3.275 2.195 ( 8.314 -0.262 2.770) 8.768 2.219 ( 4.308 0.854 0.720) 4.450 2.301 ( 2.474 -1.668 1.475) 3.328 2.361 ( -0.946 -0.335 -5.448) 5.539 2.418 ( -5.764 4.341 0.057) 7.216 2.478 ( -3.315 -0.628 -2.331) 4.101 2.487 ( -2.956 -5.545 3.417) 7.153 2.651 ( -5.023 -3.996 1.271) 6.543 2.829 ( 2.039 0.799 1.794) 2.831 3.062 ( -3.417 -3.772 -3.150) 5.986 3.102 ( 3.981 1.807 -4.300) 6.132 3.153 ( -4.207 -0.074 0.165) 4.211 3.272 ( -3.852 -2.570 0.044) 4.631 3.297 ( -2.877 1.936 -0.418) 3.493 3.398 ( 1.881 -6.654 -0.284) 6.921 3.451 ( -2.605 3.686 1.495) 4.755 3.613 ( -0.167 -0.438 -1.016) 1.119 3.643 ( -1.492 4.664 0.947) 4.988 3.835 ( 5.841 -4.815 2.150) 7.869 3.948 ( -4.988 -1.869 1.532) 5.542 4.096 ( 1.850 -0.394 2.114) 2.837 4.106 ( -1.682 -1.845 3.867) 4.602 4.170 ( 1.756 -1.272 -0.278) 2.186 4.206 ( 1.440 -2.536 -3.668) 4.686 4.363 ( 0.548 2.191 0.004) 2.258 4.439 ( -4.301 2.345 -0.893) 4.979 4.524 ( 1.280 1.902 -3.623) 4.288 4.550 ( -2.923 2.123 -0.951) 3.736 4.738 ( 2.055 0.726 0.825) 2.330 4.810 ( -1.643 -2.606 -0.468) 3.116 4.969 ( 1.882 0.976 -0.951) 2.324 4.988 ( 0.831 0.604 0.082) 1.031 5.027 ( 2.313 -0.882 -2.228) 3.331 5.064 ( 0.336 -1.374 -2.159) 2.581 5.328 ( -0.234 0.726 2.263) 2.388 5.407 ( -1.869 -2.648 -0.696) 3.315 5.573 ( 2.383 1.636 0.824) 3.006 5.602 ( 0.100 0.496 2.223) 2.280 5.626 ( 1.250 -0.183 -0.689) 1.439 5.685 ( -2.519 -2.177 -0.027) 3.330 5.756 ( 1.420 1.810 -0.828) 2.445 5.847 ( -5.528 -0.243 0.077) 5.534 5.891 ( 0.946 0.461 1.359) 1.719 5.976 ( -2.885 -1.303 -1.730) 3.607 6.201 ( -0.836 0.603 0.193) 1.049 6.228 ( -1.816 0.914 -0.254) 2.049 6.337 ( 1.150 0.312 1.762) 2.127 6.353 ( 2.411 0.128 -1.126) 2.664 6.448 ( -1.386 0.675 1.113) 1.901 6.482 ( 0.145 -0.549 -2.110) 2.185 6.735 ( 0.946 1.145 1.509) 2.118 6.819 ( -2.184 -2.118 0.160) 3.047 6.900 ( -1.039 2.209 3.033) 3.893 6.987 ( 0.130 0.384 0.640) 0.758 7.025 ( 1.177 0.535 1.061) 1.672 7.078 ( 0.075 -1.537 0.779) 1.725 7.195 ( 2.699 -0.851 -0.165) 2.835 7.230 ( 0.325 -1.356 -0.592) 1.515 7.290 ( 1.452 -0.933 -0.065) 1.727 7.320 ( -1.463 0.360 -0.396) 1.558 7.384 ( 2.510 0.687 0.193) 2.610 7.456 ( -1.721 -1.248 -1.332) 2.509 7.646 ( 2.957 1.962 0.536) 3.589 7.708 ( -2.443 -1.369 0.211) 2.808 7.955 ( 0.891 3.226 0.443) 3.376 8.002 ( 0.894 2.856 0.327) 3.010 8.016 ( -1.114 1.831 -2.402) 3.219 8.064 ( -1.726 3.336 -2.407) 4.461 8.509 ( 2.266 -1.854 1.500) 3.290 8.571 ( -0.748 -4.109 0.609) 4.221 8.672 ( -0.582 0.506 0.599) 0.977 8.725 ( -0.862 -0.343 -2.598) 2.759 11.685 ( -0.307 0.334 0.946) 1.049 11.698 ( 0.128 0.066 0.142) 0.202 11.707 ( -0.091 0.150 -0.283) 0.333 11.724 ( -0.915 -0.322 -0.357) 1.034 14.015 ( -0.076 0.494 1.439) 1.524 14.034 ( 0.350 -0.231 -0.464) 0.626 14.262 ( -0.071 -0.251 3.117) 3.128 14.274 ( 3.605 -0.578 -0.825) 3.743 15.407 ( -0.739 0.546 0.545) 1.068 15.430 ( 0.105 -0.269 -2.288) 2.306 15.764 ( 0.392 1.476 2.482) 2.914 15.854 ( -1.257 -2.024 -4.001) 4.657 16.289 ( -0.245 1.326 -0.050) 1.349 16.315 ( -0.386 0.942 -2.170) 2.397 16.626 ( -0.067 -0.328 1.809) 1.839 16.662 ( -0.057 -1.380 -1.185) 1.820 ======================= Grid point 116 (66/75) ======================= q-point: (-0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -8.331 6.369 3.969) 11.213 1.696 ( -7.153 1.793 6.587) 9.888 1.815 ( -5.249 0.397 5.132) 7.351 1.917 ( -0.451 4.360 -0.695) 4.438 1.967 ( -0.851 -0.819 2.509) 2.773 2.028 ( 1.624 1.247 -3.828) 4.341 2.063 ( 4.520 1.416 -2.771) 5.488 2.165 ( -3.136 -3.908 0.858) 5.084 2.223 ( 0.274 3.418 -9.398) 10.004 2.247 ( -2.997 -0.498 -0.435) 3.069 2.339 ( -1.052 1.421 -0.984) 2.023 2.358 ( 0.133 -0.085 -3.197) 3.201 2.418 ( 10.015 2.191 -0.172) 10.253 2.420 ( 5.708 -0.679 3.203) 6.581 2.561 ( 1.247 -2.586 0.139) 2.874 2.627 ( 6.167 0.953 -2.998) 6.923 2.930 ( -6.162 -5.502 -3.693) 9.049 2.955 ( 7.614 -7.740 8.266) 13.646 3.021 ( -9.636 4.022 1.153) 10.505 3.160 ( 2.447 -0.986 -0.660) 2.719 3.252 ( -1.388 1.035 1.200) 2.107 3.275 ( 2.329 -0.169 2.251) 3.243 3.386 ( -1.796 -4.226 1.212) 4.749 3.479 ( 3.307 -1.217 -1.227) 3.731 3.591 ( -2.706 1.483 1.553) 3.454 3.633 ( 0.569 4.350 2.032) 4.835 3.836 ( -5.910 -2.794 1.277) 6.661 3.948 ( 3.974 -5.104 2.153) 6.817 4.087 ( -1.806 -2.219 2.826) 4.022 4.125 ( 0.175 -2.033 2.848) 3.503 4.190 ( 0.360 1.208 -2.534) 2.831 4.220 ( 1.834 -0.812 -5.741) 6.082 4.386 ( 0.323 3.061 -0.873) 3.200 4.419 ( 4.440 2.996 -0.626) 5.392 4.503 ( -1.357 0.878 -0.713) 1.767 4.555 ( 2.951 1.127 -1.783) 3.628 4.770 ( -1.642 -0.127 -2.154) 2.711 4.796 ( 3.048 -0.992 0.916) 3.334 4.943 ( -3.164 1.264 0.795) 3.499 5.008 ( 0.609 0.289 -2.470) 2.560 5.029 ( -2.098 -1.697 -0.891) 2.842 5.060 ( 0.581 -1.293 -1.953) 2.413 5.365 ( 2.004 -0.942 1.626) 2.748 5.374 ( 1.069 -1.286 -0.972) 1.935 5.557 ( -4.419 1.054 2.413) 5.144 5.621 ( -2.320 -1.066 0.064) 2.554 5.651 ( 1.109 0.918 -1.110) 1.817 5.658 ( 2.728 -0.081 1.114) 2.948 5.745 ( -3.650 1.674 1.356) 4.239 5.828 ( 4.383 -0.349 1.648) 4.696 5.914 ( -2.111 -0.461 -0.261) 2.177 5.931 ( 1.263 -0.804 1.900) 2.419 6.212 ( 1.722 1.156 -0.427) 2.117 6.233 ( 2.593 0.644 -0.878) 2.812 6.331 ( -2.058 0.973 0.491) 2.329 6.371 ( -0.335 -1.327 -1.465) 2.005 6.453 ( 1.251 0.993 0.229) 1.614 6.496 ( 2.733 -0.320 -3.150) 4.182 6.760 ( -2.581 -0.068 -0.887) 2.730 6.779 ( 2.104 -1.266 2.987) 3.867 6.913 ( -0.008 3.581 4.972) 6.127 6.984 ( 0.056 1.740 -2.905) 3.387 7.040 ( -0.278 -0.903 3.438) 3.565 7.071 ( -0.693 -0.962 -0.688) 1.371 7.183 ( -2.941 -1.048 0.186) 3.128 7.233 ( -0.200 -2.725 -0.529) 2.783 7.295 ( -0.587 1.225 -1.104) 1.751 7.337 ( 2.726 0.729 -0.910) 2.965 7.394 ( -2.909 -1.465 -0.297) 3.270 7.442 ( 1.981 -1.087 -0.544) 2.324 7.662 ( -1.731 1.725 -1.136) 2.695 7.716 ( 3.776 -0.861 -0.667) 3.930 7.959 ( -2.190 2.244 0.755) 3.225 7.975 ( -0.636 1.928 1.198) 2.357 8.015 ( -1.077 3.032 -0.440) 3.248 8.040 ( 1.000 3.862 -0.716) 4.054 8.528 ( -1.974 -3.140 -0.021) 3.709 8.574 ( 2.420 -2.752 -0.110) 3.666 8.680 ( 0.707 -0.021 0.839) 1.097 8.718 ( 1.524 -0.249 -3.115) 3.477 11.688 ( 0.219 0.508 0.922) 1.075 11.698 ( 0.162 0.248 -0.510) 0.590 11.707 ( -0.470 -0.130 -0.096) 0.497 11.717 ( 0.749 -0.399 0.412) 0.943 14.015 ( -0.481 0.361 1.497) 1.614 14.033 ( -0.325 -0.224 -0.415) 0.573 14.249 ( -2.147 0.893 1.577) 2.810 14.323 ( 1.944 -2.025 -2.844) 3.996 15.402 ( -0.033 0.795 0.741) 1.087 15.428 ( 0.645 -0.243 -1.771) 1.901 15.778 ( -0.258 0.535 3.788) 3.835 15.810 ( -1.911 -0.777 -2.387) 3.155 16.286 ( -0.096 1.797 0.378) 1.839 16.312 ( 0.877 0.643 -1.901) 2.190 16.640 ( 0.844 -0.649 1.163) 1.577 16.661 ( 0.645 -1.321 -1.916) 2.415 ======================= Grid point 117 (67/75) ======================= q-point: (-0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -9.148 10.217 9.609) 16.746 1.546 ( -10.350 4.360 10.198) 15.170 1.733 ( -4.695 1.818 4.334) 6.643 1.859 ( -3.512 5.256 -8.448) 10.551 1.946 ( -2.327 -4.360 0.377) 4.956 2.015 ( -5.369 -5.047 1.399) 7.500 2.069 ( 1.895 -1.454 -2.775) 3.661 2.121 ( -0.523 -2.190 -4.954) 5.442 2.136 ( -2.905 -0.223 -1.550) 3.301 2.255 ( 3.053 2.187 -8.046) 8.880 2.335 ( 1.038 -2.958 -0.914) 3.265 2.434 ( 7.091 -3.504 -6.496) 10.235 2.540 ( 4.736 -1.238 3.582) 6.065 2.569 ( 2.593 -1.255 -0.082) 2.881 2.605 ( 3.935 7.523 -0.463) 8.502 2.732 ( 0.618 6.848 6.695) 9.597 2.833 ( -3.005 7.246 7.671) 10.972 2.860 ( -1.612 -4.686 -7.016) 8.590 3.117 ( 2.778 -2.469 0.232) 3.724 3.190 ( 0.201 -0.502 3.287) 3.331 3.276 ( 4.770 -4.573 3.206) 7.344 3.323 ( 1.015 0.540 1.853) 2.181 3.394 ( 2.520 -12.538 2.307) 12.995 3.492 ( -1.637 11.704 0.316) 11.822 3.579 ( 1.092 -8.421 2.199) 8.772 3.656 ( 0.554 1.949 3.342) 3.908 3.762 ( -0.682 -1.061 -1.635) 2.065 3.998 ( 0.338 -3.727 2.579) 4.545 4.044 ( -3.226 -2.234 0.789) 4.003 4.126 ( -1.663 1.076 -0.341) 2.010 4.174 ( 0.116 -3.170 -2.170) 3.844 4.234 ( 1.674 -0.780 -4.106) 4.502 4.422 ( 2.794 2.019 -0.735) 3.525 4.475 ( 0.123 3.081 -0.204) 3.091 4.538 ( 5.937 0.677 0.331) 5.985 4.614 ( 3.241 0.911 -1.173) 3.565 4.743 ( 0.104 1.361 -2.616) 2.951 4.837 ( 0.152 -3.220 -0.420) 3.251 4.878 ( -2.802 2.040 -0.868) 3.573 4.968 ( -2.912 -1.288 -1.588) 3.558 5.007 ( -0.121 -0.638 -1.705) 1.824 5.045 ( -1.241 -1.248 -1.654) 2.416 5.374 ( 0.628 1.312 -1.499) 2.089 5.419 ( -2.088 0.225 0.289) 2.120 5.499 ( -1.101 -1.007 2.332) 2.769 5.582 ( 0.787 -1.939 2.706) 3.421 5.666 ( 0.893 2.254 -2.655) 3.595 5.700 ( 1.523 1.266 2.237) 2.988 5.731 ( -0.124 2.622 0.747) 2.729 5.842 ( -1.163 3.144 0.017) 3.353 5.962 ( 5.433 -3.848 3.182) 7.379 5.976 ( 2.170 -2.360 4.399) 5.443 6.260 ( 1.059 -0.425 0.183) 1.156 6.299 ( 4.119 -0.577 -0.257) 4.167 6.306 ( 1.798 1.084 -0.443) 2.146 6.342 ( -0.782 -2.291 -1.952) 3.110 6.467 ( 0.605 2.666 -1.476) 3.106 6.549 ( 3.123 0.490 -3.120) 4.441 6.724 ( -1.043 1.565 0.608) 1.977 6.821 ( 0.316 -2.900 3.405) 4.484 6.934 ( 1.112 2.905 1.300) 3.371 6.964 ( -1.627 2.375 -1.452) 3.224 7.035 ( -1.769 -0.919 -1.818) 2.697 7.062 ( 0.613 -0.831 2.096) 2.336 7.125 ( -2.764 0.226 0.881) 2.910 7.204 ( -2.903 -2.780 0.527) 4.054 7.256 ( -2.217 -0.396 -1.995) 3.009 7.312 ( -4.694 0.462 -0.082) 4.717 7.396 ( 3.192 -2.550 -2.355) 4.716 7.485 ( 2.182 -1.066 0.381) 2.458 7.641 ( 0.193 3.759 -2.360) 4.442 7.759 ( 0.393 -3.636 -1.280) 3.875 7.920 ( -1.516 4.571 0.702) 4.866 7.975 ( -0.509 1.760 3.026) 3.537 7.997 ( 0.108 2.965 -0.946) 3.114 8.060 ( 0.284 5.749 1.264) 5.894 8.493 ( -1.257 -4.930 -0.800) 5.150 8.589 ( -0.835 -4.898 -1.662) 5.239 8.711 ( 2.847 2.094 -0.439) 3.562 8.761 ( 3.496 1.587 -1.482) 4.115 11.698 ( 0.530 0.286 0.288) 0.667 11.701 ( 0.156 0.011 -0.170) 0.231 11.706 ( 0.498 0.447 0.239) 0.710 11.735 ( 0.711 -0.537 0.619) 1.085 14.010 ( -0.476 0.112 1.111) 1.214 14.021 ( -0.640 -0.082 0.002) 0.646 14.197 ( -3.513 1.562 0.046) 3.845 14.314 ( -1.724 -3.212 -4.812) 6.038 15.411 ( 0.588 0.956 0.732) 1.340 15.444 ( 1.677 -0.454 -1.157) 2.087 15.769 ( -1.591 -0.044 -0.650) 1.720 15.782 ( -1.213 -0.355 5.098) 5.252 16.292 ( 0.583 2.339 0.298) 2.429 16.329 ( 1.330 0.833 -1.440) 2.130 16.664 ( 1.251 -0.802 0.377) 1.533 16.673 ( 1.521 -1.176 -2.377) 3.057 ======================= Grid point 118 (68/75) ======================= q-point: (-0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -8.073 9.024 11.868) 16.955 1.448 ( -4.135 11.366 16.520) 20.475 1.686 ( -1.008 3.665 -0.302) 3.813 1.737 ( -4.396 -0.375 -11.538) 12.353 1.903 ( -1.526 -2.295 -1.659) 3.217 1.937 ( -3.696 -6.782 1.701) 7.909 2.056 ( -1.148 -6.772 -0.284) 6.875 2.088 ( 0.566 -1.749 -2.140) 2.821 2.141 ( 0.932 -0.096 -3.396) 3.523 2.279 ( 1.353 -1.139 -5.837) 6.099 2.365 ( 2.861 -0.131 -0.139) 2.867 2.472 ( -2.352 -1.594 -2.589) 3.844 2.564 ( -2.014 2.158 7.498) 8.058 2.607 ( -3.394 7.655 9.893) 12.961 2.643 ( 4.900 -0.229 0.654) 4.949 2.766 ( 3.616 4.402 -4.042) 6.985 2.820 ( 0.057 -1.299 -2.112) 2.481 2.935 ( 5.608 2.968 -1.431) 6.505 3.089 ( -2.502 1.686 -1.199) 3.247 3.202 ( -1.883 -0.571 1.181) 2.295 3.296 ( 0.892 -3.676 1.036) 3.922 3.412 ( 1.242 -1.144 3.080) 3.513 3.447 ( 2.594 1.627 3.501) 4.651 3.506 ( 3.122 -3.568 0.883) 4.822 3.604 ( 1.181 -8.421 2.918) 8.991 3.740 ( 6.993 -1.487 4.494) 8.445 3.767 ( 0.841 -1.752 -3.646) 4.132 3.981 ( -3.559 -6.184 2.319) 7.503 3.995 ( -1.320 2.764 -0.337) 3.082 4.064 ( -3.354 2.536 -2.245) 4.767 4.178 ( 0.317 -4.577 -0.820) 4.661 4.238 ( -0.245 -3.656 -2.917) 4.684 4.442 ( -0.105 1.822 1.305) 2.244 4.492 ( 1.108 0.229 -1.294) 1.719 4.632 ( 2.236 3.044 2.127) 4.335 4.661 ( 2.694 1.589 -2.622) 4.081 4.754 ( 1.523 1.371 -1.557) 2.573 4.793 ( -2.332 0.459 -1.292) 2.705 4.857 ( 0.397 -1.946 -2.736) 3.381 4.909 ( -2.399 -1.819 -1.806) 3.511 5.003 ( 0.332 -0.031 -2.353) 2.377 5.014 ( -1.003 -0.292 -0.664) 1.238 5.340 ( -4.251 2.602 1.389) 5.174 5.354 ( -2.315 2.127 -2.329) 3.912 5.501 ( 1.367 0.330 1.605) 2.134 5.650 ( -2.637 5.430 -0.583) 6.065 5.676 ( 4.805 -4.506 2.895) 7.196 5.732 ( 2.031 0.395 -1.891) 2.803 5.733 ( 1.053 3.364 0.844) 3.624 5.843 ( 0.131 0.822 0.270) 0.875 6.049 ( 3.618 -3.735 5.034) 7.237 6.076 ( 4.139 -4.985 2.842) 7.075 6.250 ( -0.717 0.384 1.737) 1.918 6.303 ( 0.174 -2.117 -1.148) 2.414 6.396 ( 4.166 3.002 0.824) 5.200 6.424 ( 6.684 0.854 -0.092) 6.739 6.485 ( 3.343 1.943 -2.116) 4.408 6.565 ( -0.185 1.117 -3.070) 3.272 6.724 ( -0.646 -1.750 2.653) 3.243 6.795 ( -4.610 -4.224 1.049) 6.340 6.881 ( -4.598 0.310 -3.848) 6.004 6.958 ( -0.967 -0.621 -0.354) 1.203 6.996 ( 0.908 2.093 -0.794) 2.416 7.080 ( -0.561 -1.665 1.429) 2.265 7.106 ( 0.150 0.279 0.450) 0.550 7.153 ( -1.354 -3.434 -0.218) 3.698 7.211 ( -1.729 1.416 -0.326) 2.259 7.232 ( -3.923 2.840 1.512) 5.073 7.436 ( 2.465 -5.021 -2.051) 5.958 7.518 ( 0.668 -2.232 -0.075) 2.331 7.645 ( 1.294 3.564 -2.802) 4.715 7.719 ( -3.867 -2.566 0.203) 4.645 7.915 ( 0.738 7.329 0.568) 7.388 7.985 ( 0.332 1.835 1.655) 2.493 8.008 ( 1.279 4.614 -1.401) 4.989 8.055 ( -1.203 6.182 1.417) 6.455 8.473 ( -0.521 -6.673 -0.128) 6.694 8.551 ( -1.949 -5.326 -2.098) 6.047 8.777 ( 3.780 3.798 -0.549) 5.386 8.820 ( 2.650 2.815 -1.326) 4.087 11.704 ( 0.161 0.021 0.208) 0.263 11.708 ( 0.383 -0.139 -0.172) 0.442 11.723 ( 0.995 0.594 0.476) 1.253 11.745 ( 0.137 -0.300 0.484) 0.586 14.009 ( 0.239 0.034 0.510) 0.564 14.019 ( 0.418 -0.121 0.908) 1.007 14.125 ( -3.551 1.350 -0.761) 3.875 14.221 ( -5.758 -2.596 -4.205) 7.588 15.429 ( 0.899 0.911 0.789) 1.503 15.475 ( 1.728 -1.079 -2.084) 2.914 15.757 ( 0.540 -0.745 0.877) 1.271 15.771 ( -1.681 -0.826 4.824) 5.175 16.310 ( 1.212 3.091 -0.001) 3.320 16.344 ( 0.688 1.394 -1.440) 2.119 16.686 ( 0.802 -0.722 0.047) 1.080 16.696 ( 1.610 -1.164 -2.367) 3.090 ======================= Grid point 119 (69/75) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -4.305 -8.130 8.110) 12.264 1.515 ( -4.305 8.130 8.110) 12.264 1.710 ( 0.362 -6.276 6.595) 9.111 1.710 ( 0.362 6.276 6.595) 9.111 1.861 ( 2.453 -11.630 -0.701) 11.906 1.861 ( 2.453 11.630 -0.701) 11.906 1.984 ( 0.856 -6.871 -7.547) 10.242 1.984 ( 0.856 6.871 -7.547) 10.242 2.156 ( -1.917 -2.571 -1.242) 3.439 2.156 ( -1.917 2.571 -1.242) 3.439 2.415 ( -2.136 -1.371 -1.758) 3.087 2.415 ( -2.136 1.371 -1.758) 3.087 2.679 ( 0.746 -2.700 1.300) 3.088 2.679 ( 0.746 2.700 1.300) 3.088 2.726 ( -2.369 -4.799 5.161) 7.435 2.726 ( -2.369 4.799 5.161) 7.435 2.903 ( 1.031 -7.981 1.395) 8.167 2.903 ( 1.031 7.981 1.395) 8.167 3.120 ( 2.389 -2.597 -2.498) 4.323 3.120 ( 2.389 2.597 -2.498) 4.323 3.404 ( 0.455 -1.398 -0.167) 1.480 3.404 ( 0.455 1.398 -0.167) 1.480 3.498 ( 2.026 -5.368 3.319) 6.628 3.498 ( 2.026 5.368 3.319) 6.628 3.666 ( -1.719 -6.745 -0.462) 6.976 3.666 ( -1.719 6.745 -0.462) 6.976 3.776 ( 0.289 -1.323 2.001) 2.416 3.776 ( 0.289 1.323 2.001) 2.416 4.076 ( -0.433 -5.080 0.379) 5.113 4.076 ( -0.433 5.080 0.379) 5.113 4.116 ( -0.623 -4.293 -3.195) 5.388 4.116 ( -0.623 4.293 -3.195) 5.388 4.482 ( 0.147 -0.826 0.300) 0.891 4.482 ( 0.147 0.826 0.300) 0.891 4.685 ( -0.620 -0.965 -0.415) 1.220 4.685 ( -0.620 0.965 -0.415) 1.220 4.795 ( 0.577 -1.228 -0.658) 1.508 4.795 ( 0.577 1.228 -0.658) 1.508 4.838 ( 0.884 -1.412 -3.183) 3.592 4.838 ( 0.884 1.412 -3.183) 3.592 5.009 ( 0.059 -0.566 -0.909) 1.072 5.009 ( 0.059 0.566 -0.909) 1.072 5.327 ( -0.924 -0.809 0.505) 1.328 5.327 ( -0.924 0.809 0.505) 1.328 5.640 ( 1.790 -4.637 2.799) 5.704 5.640 ( 1.790 4.637 2.799) 5.704 5.692 ( -1.481 -4.941 -2.197) 5.606 5.692 ( -1.481 4.941 -2.197) 5.606 5.845 ( 0.772 -1.557 0.110) 1.741 5.845 ( 0.772 1.557 0.110) 1.741 6.046 ( -0.170 -0.843 2.030) 2.205 6.046 ( -0.170 0.843 2.030) 2.205 6.279 ( 0.397 -1.300 0.062) 1.361 6.279 ( 0.397 1.300 0.062) 1.361 6.511 ( -0.480 -0.444 0.651) 0.922 6.511 ( -0.480 0.444 0.651) 0.922 6.574 ( 0.988 -0.987 -1.407) 1.982 6.574 ( 0.988 0.987 -1.407) 1.982 6.659 ( -0.591 -2.004 2.936) 3.603 6.659 ( -0.591 2.004 2.936) 3.603 6.821 ( -2.280 -3.070 -2.609) 4.629 6.821 ( -2.280 3.070 -2.609) 4.629 7.027 ( 0.736 -0.562 0.134) 0.935 7.027 ( 0.736 0.562 0.134) 0.935 7.112 ( -0.577 -0.971 0.506) 1.238 7.112 ( -0.577 0.971 0.506) 1.238 7.281 ( 0.633 -0.578 0.234) 0.889 7.281 ( 0.633 0.578 0.234) 0.889 7.404 ( -0.101 -0.547 -0.564) 0.793 7.404 ( -0.101 0.547 -0.564) 0.793 7.684 ( -0.519 -1.095 -0.249) 1.237 7.684 ( -0.519 1.095 -0.249) 1.237 8.033 ( 0.385 -0.847 0.408) 1.015 8.033 ( 0.385 0.847 0.408) 1.015 8.105 ( 1.049 -0.709 -0.911) 1.560 8.105 ( 1.049 0.709 -0.911) 1.560 8.411 ( -0.393 -1.362 -0.303) 1.450 8.411 ( -0.393 1.362 -0.303) 1.450 8.874 ( 0.337 -0.393 -1.953) 2.021 8.874 ( 0.337 0.393 -1.953) 2.021 11.707 ( -0.090 -0.134 0.162) 0.229 11.707 ( -0.090 0.134 0.162) 0.229 11.745 ( 0.158 -0.094 0.148) 0.235 11.745 ( 0.158 0.094 0.148) 0.235 14.032 ( 0.777 -0.115 0.479) 0.920 14.032 ( 0.777 0.115 0.479) 0.920 14.090 ( -1.715 -0.347 -0.178) 1.759 14.090 ( -1.715 0.347 -0.178) 1.759 15.462 ( 0.149 -0.954 -0.877) 1.304 15.462 ( 0.149 0.954 -0.877) 1.304 15.757 ( 0.578 -1.548 1.642) 2.329 15.757 ( 0.578 1.548 1.642) 2.329 16.369 ( 0.406 -0.465 -1.538) 1.657 16.369 ( 0.406 0.465 -1.538) 1.657 16.686 ( -0.178 -0.574 -0.741) 0.954 16.686 ( -0.178 0.574 -0.741) 0.954 ======================= Grid point 121 (70/75) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.417 -5.645 10.104) 11.660 1.515 ( 1.417 5.645 10.104) 11.660 1.761 ( 2.689 -5.033 3.617) 6.756 1.761 ( 2.689 5.033 3.617) 6.756 1.918 ( 3.258 -7.254 -2.091) 8.222 1.918 ( 3.258 7.254 -2.091) 8.222 1.997 ( 3.018 -5.762 -5.250) 8.359 1.997 ( 3.018 5.762 -5.250) 8.359 2.119 ( -1.347 -1.462 1.180) 2.312 2.119 ( -1.347 1.462 1.180) 2.312 2.342 ( -5.238 -3.335 1.245) 6.333 2.342 ( -5.238 3.335 1.245) 6.333 2.619 ( -4.391 -1.068 -0.228) 4.525 2.619 ( -4.391 1.068 -0.228) 4.525 2.716 ( -2.215 -3.943 4.302) 6.242 2.716 ( -2.215 3.943 4.302) 6.242 2.973 ( 4.055 -5.946 1.729) 7.402 2.973 ( 4.055 5.946 1.729) 7.402 3.181 ( 4.749 -3.901 -4.716) 7.746 3.181 ( 4.749 3.901 -4.716) 7.746 3.347 ( -5.727 -4.172 -1.400) 7.223 3.347 ( -5.727 4.172 -1.400) 7.223 3.492 ( -2.296 -4.790 -1.577) 5.541 3.492 ( -2.296 4.790 -1.577) 5.541 3.652 ( -0.640 -2.391 2.497) 3.516 3.652 ( -0.640 2.391 2.497) 3.516 3.806 ( 2.310 -9.693 1.036) 10.018 3.806 ( 2.310 9.693 1.036) 10.018 4.065 ( -1.163 -5.040 2.794) 5.879 4.065 ( -1.163 5.040 2.794) 5.879 4.107 ( 0.951 -3.940 -2.376) 4.699 4.107 ( 0.951 3.940 -2.376) 4.699 4.485 ( -0.242 -0.875 -0.142) 0.919 4.485 ( -0.242 0.875 -0.142) 0.919 4.666 ( -1.537 -1.588 0.269) 2.227 4.666 ( -1.537 1.588 0.269) 2.227 4.783 ( -1.187 -2.061 -1.514) 2.819 4.783 ( -1.187 2.061 -1.514) 2.819 4.872 ( 3.637 -2.307 -2.822) 5.149 4.872 ( 3.637 2.307 -2.822) 5.149 5.006 ( 0.194 -1.604 -0.951) 1.875 5.006 ( 0.194 1.604 -0.951) 1.875 5.344 ( 1.653 -1.069 2.091) 2.872 5.344 ( 1.653 1.069 2.091) 2.872 5.609 ( -2.361 -4.956 -1.127) 5.604 5.609 ( -2.361 4.956 -1.127) 5.604 5.690 ( -1.479 -0.362 0.891) 1.764 5.690 ( -1.479 0.362 0.891) 1.764 5.865 ( 1.844 -2.921 -1.377) 3.718 5.865 ( 1.844 2.921 -1.377) 3.718 6.009 ( -3.748 -0.984 1.616) 4.199 6.009 ( -3.748 0.984 1.616) 4.199 6.273 ( -0.540 -0.920 -0.562) 1.206 6.273 ( -0.540 0.920 -0.562) 1.206 6.432 ( -7.288 -0.656 0.433) 7.330 6.432 ( -7.288 0.656 0.433) 7.330 6.538 ( -1.478 -2.004 -0.869) 2.638 6.538 ( -1.478 2.004 -0.869) 2.638 6.721 ( 3.019 -0.876 2.070) 3.764 6.721 ( 3.019 0.876 2.070) 3.764 6.853 ( 4.821 -1.989 1.953) 5.569 6.853 ( 4.821 1.989 1.953) 5.569 7.057 ( 1.048 -1.068 0.171) 1.506 7.057 ( 1.048 1.068 0.171) 1.506 7.092 ( -0.794 -0.674 0.685) 1.246 7.092 ( -0.794 0.674 0.685) 1.246 7.270 ( -0.327 -2.446 -1.147) 2.721 7.270 ( -0.327 2.446 -1.147) 2.721 7.431 ( 2.050 -5.843 -0.525) 6.215 7.431 ( 2.050 5.843 -0.525) 6.215 7.674 ( -0.598 -3.020 0.769) 3.173 7.674 ( -0.598 3.020 0.769) 3.173 8.033 ( -0.515 -0.976 -0.551) 1.233 8.033 ( -0.515 0.976 -0.551) 1.233 8.109 ( 0.297 -5.764 -2.268) 6.201 8.109 ( 0.297 5.764 -2.268) 6.201 8.424 ( 1.569 -2.126 0.607) 2.711 8.424 ( 1.569 2.126 0.607) 2.711 8.834 ( -3.442 -1.476 -1.546) 4.051 8.834 ( -3.442 1.476 -1.546) 4.051 11.703 ( -0.447 -0.118 0.342) 0.575 11.703 ( -0.447 0.118 0.342) 0.575 11.742 ( -0.408 -0.556 -0.216) 0.722 11.742 ( -0.408 0.556 -0.216) 0.722 14.022 ( -0.680 -0.576 -0.072) 0.895 14.022 ( -0.680 0.576 -0.072) 0.895 14.128 ( 3.691 -1.362 1.844) 4.345 14.128 ( 3.691 1.362 1.844) 4.345 15.451 ( -0.765 -0.474 -0.802) 1.205 15.451 ( -0.765 0.474 -0.802) 1.205 15.783 ( 1.522 -3.497 -0.092) 3.815 15.783 ( 1.522 3.497 -0.092) 3.815 16.359 ( -0.703 -1.372 -1.729) 2.317 16.359 ( -0.703 1.372 -1.729) 2.317 16.668 ( -1.366 -0.993 0.024) 1.689 16.668 ( -1.366 0.993 0.024) 1.689 ======================= Grid point 123 (71/75) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 6.954 -3.110 5.626) 9.470 1.640 ( 6.954 3.110 5.626) 9.470 1.839 ( 4.550 -7.908 4.518) 10.181 1.839 ( 4.550 7.908 4.518) 10.181 1.978 ( 4.711 -3.689 -6.080) 8.531 1.978 ( 4.711 3.689 -6.080) 8.531 2.028 ( -0.307 -2.453 5.010) 5.587 2.028 ( -0.307 2.453 5.010) 5.587 2.123 ( 1.586 -4.185 -1.726) 4.797 2.123 ( 1.586 4.185 -1.726) 4.797 2.262 ( -2.281 -3.935 2.131) 5.023 2.262 ( -2.281 3.935 2.131) 5.023 2.535 ( -4.503 -1.149 -0.867) 4.727 2.535 ( -4.503 1.149 -0.867) 4.727 2.662 ( -5.006 -3.926 4.181) 7.613 2.662 ( -5.006 3.926 4.181) 7.613 3.037 ( 1.275 -7.212 -1.343) 7.446 3.037 ( 1.275 7.212 -1.343) 7.446 3.160 ( -6.645 -7.447 -2.907) 10.395 3.160 ( -6.645 7.447 -2.907) 10.395 3.271 ( 1.437 -3.044 -4.002) 5.229 3.271 ( 1.437 3.044 -4.002) 5.229 3.440 ( -2.306 -6.373 -2.191) 7.122 3.440 ( -2.306 6.373 -2.191) 7.122 3.655 ( 0.449 -4.691 3.593) 5.926 3.655 ( 0.449 4.691 3.593) 5.926 3.851 ( 1.421 -13.216 -0.406) 13.298 3.851 ( 1.421 13.216 -0.406) 13.298 4.067 ( -0.503 -2.630 5.787) 6.376 4.067 ( -0.503 2.630 5.787) 6.376 4.125 ( 1.855 -3.411 -2.532) 4.635 4.125 ( 1.855 3.411 -2.532) 4.635 4.465 ( -1.677 -3.019 -0.063) 3.454 4.465 ( -1.677 3.019 -0.063) 3.454 4.620 ( -2.929 -1.467 -1.605) 3.648 4.620 ( -2.929 1.467 -1.605) 3.648 4.760 ( -0.364 -2.466 -0.645) 2.575 4.760 ( -0.364 2.466 -0.645) 2.575 4.939 ( 3.806 -1.521 -1.437) 4.343 4.939 ( 3.806 1.521 -1.437) 4.343 5.014 ( 1.250 -1.978 -1.918) 3.025 5.014 ( 1.250 1.978 -1.918) 3.025 5.375 ( -0.105 -1.873 2.327) 2.989 5.375 ( -0.105 1.873 2.327) 2.989 5.578 ( 0.158 -2.991 -2.421) 3.851 5.578 ( 0.158 2.991 -2.421) 3.851 5.654 ( -1.902 -2.925 2.227) 4.140 5.654 ( -1.902 2.925 2.227) 4.140 5.869 ( -1.950 -5.061 -1.080) 5.530 5.869 ( -1.950 5.061 -1.080) 5.530 5.956 ( -1.464 -4.051 -0.031) 4.308 5.956 ( -1.464 4.051 -0.031) 4.308 6.254 ( -2.102 -0.948 0.292) 2.324 6.254 ( -2.102 0.948 0.292) 2.324 6.327 ( -1.665 -0.410 -0.022) 1.715 6.327 ( -1.665 0.410 -0.022) 1.715 6.501 ( -2.116 -2.044 -0.162) 2.947 6.501 ( -2.116 2.044 -0.162) 2.947 6.772 ( 1.128 -2.972 1.550) 3.537 6.772 ( 1.128 2.972 1.550) 3.537 6.933 ( 1.528 -2.056 2.606) 3.654 6.933 ( 1.528 2.056 2.606) 3.654 7.039 ( -0.746 -1.718 1.722) 2.544 7.039 ( -0.746 1.718 1.722) 2.544 7.143 ( 4.248 -2.217 0.354) 4.805 7.143 ( 4.248 2.217 0.354) 4.805 7.271 ( 0.649 -2.231 -1.981) 3.053 7.271 ( 0.649 2.231 -1.981) 3.053 7.450 ( 0.100 -4.705 -0.840) 4.780 7.450 ( 0.100 4.705 -0.840) 4.780 7.669 ( -0.227 -3.161 1.232) 3.400 7.669 ( -0.227 3.161 1.232) 3.400 8.017 ( -0.404 -1.250 -1.370) 1.898 8.017 ( -0.404 1.250 -1.370) 1.898 8.102 ( -0.412 -4.696 -2.224) 5.212 8.102 ( -0.412 4.696 -2.224) 5.212 8.464 ( 2.038 -3.003 1.273) 3.845 8.464 ( 2.038 3.003 1.273) 3.845 8.755 ( -3.743 -2.193 -1.201) 4.501 8.755 ( -3.743 2.193 -1.201) 4.501 11.695 ( -0.444 -0.190 0.579) 0.754 11.695 ( -0.444 0.190 0.579) 0.754 11.730 ( -0.703 -0.727 -0.451) 1.107 11.730 ( -0.703 0.727 -0.451) 1.107 14.020 ( 0.241 -0.487 0.394) 0.671 14.020 ( 0.241 0.487 0.394) 0.671 14.207 ( 3.450 -0.985 1.817) 4.022 14.207 ( 3.450 0.985 1.817) 4.022 15.433 ( -0.738 -0.502 -0.753) 1.168 15.433 ( -0.738 0.502 -0.753) 1.168 15.804 ( 0.785 -3.705 -0.907) 3.895 15.804 ( 0.785 3.705 -0.907) 3.895 16.335 ( -0.914 -1.502 -1.689) 2.438 16.335 ( -0.914 1.502 -1.689) 2.438 16.644 ( -1.101 -1.269 0.461) 1.742 16.644 ( -1.101 1.269 0.461) 1.742 ======================= Grid point 125 (72/75) ======================= q-point: ( 0.43 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.242 -2.033 0.061) 3.027 1.744 ( 2.242 2.033 0.061) 3.027 1.938 ( 0.568 -3.856 2.671) 4.725 1.938 ( 0.568 3.856 2.671) 4.725 2.000 ( -2.012 -3.812 5.454) 6.952 2.000 ( -2.012 3.812 5.454) 6.952 2.057 ( 3.943 -2.403 -1.611) 4.890 2.057 ( 3.943 2.403 -1.611) 4.890 2.228 ( 11.339 -4.482 1.314) 12.263 2.228 ( 11.339 4.482 1.314) 12.263 2.288 ( 3.352 -4.552 0.271) 5.660 2.288 ( 3.352 4.552 0.271) 5.660 2.435 ( -5.032 -0.481 -2.082) 5.467 2.435 ( -5.032 0.481 -2.082) 5.467 2.560 ( -7.269 -5.524 3.130) 9.652 2.560 ( -7.269 5.524 3.130) 9.652 2.926 ( -6.483 -7.896 -6.236) 11.969 2.926 ( -6.483 7.896 -6.236) 11.969 3.129 ( 1.171 -1.297 -0.789) 1.918 3.129 ( 1.171 1.297 -0.789) 1.918 3.285 ( 0.842 -3.102 0.220) 3.221 3.285 ( 0.842 3.102 0.220) 3.221 3.375 ( -3.525 -5.557 -2.264) 6.960 3.375 ( -3.525 5.557 -2.264) 6.960 3.708 ( 2.926 -7.481 4.865) 9.391 3.708 ( 2.926 7.481 4.865) 9.391 3.834 ( -2.901 -9.720 -0.585) 10.160 3.834 ( -2.901 9.720 -0.585) 10.160 4.077 ( -1.023 -0.262 5.631) 5.730 4.077 ( -1.023 0.262 5.631) 5.730 4.163 ( 3.374 -1.544 -3.783) 5.299 4.163 ( 3.374 1.544 -3.783) 5.299 4.438 ( -0.825 -2.877 0.549) 3.043 4.438 ( -0.825 2.877 0.549) 3.043 4.561 ( -1.783 -1.205 -3.336) 3.970 4.561 ( -1.783 1.205 -3.336) 3.970 4.762 ( 0.498 -1.843 0.194) 1.919 4.762 ( 0.498 1.843 0.194) 1.919 4.989 ( 1.363 -0.860 0.413) 1.664 4.989 ( 1.363 0.860 0.413) 1.664 5.030 ( 1.148 -1.596 -3.268) 3.814 5.030 ( 1.148 1.596 -3.268) 3.814 5.356 ( -1.489 -2.091 0.405) 2.599 5.356 ( -1.489 2.091 0.405) 2.599 5.604 ( 2.606 -1.150 -0.458) 2.885 5.604 ( 2.606 1.150 -0.458) 2.885 5.638 ( -1.064 -2.107 1.825) 2.983 5.638 ( -1.064 2.107 1.825) 2.983 5.803 ( -3.586 -2.735 1.185) 4.663 5.803 ( -3.586 2.735 1.185) 4.663 5.935 ( -0.825 -2.565 -1.555) 3.111 5.935 ( -0.825 2.565 -1.555) 3.111 6.225 ( -0.366 -1.216 0.476) 1.356 6.225 ( -0.366 1.216 0.476) 1.356 6.349 ( 2.019 -0.625 0.334) 2.140 6.349 ( 2.019 0.625 0.334) 2.140 6.464 ( -1.119 -1.013 -0.927) 1.772 6.464 ( -1.119 1.013 -0.927) 1.772 6.770 ( -1.198 -2.357 0.654) 2.724 6.770 ( -1.198 2.357 0.654) 2.724 6.957 ( 0.435 -2.890 4.191) 5.110 6.957 ( 0.435 2.890 4.191) 5.110 7.048 ( 0.495 -1.367 0.126) 1.459 7.048 ( 0.495 1.367 0.126) 1.459 7.198 ( 0.632 -1.467 -1.421) 2.138 7.198 ( 0.632 1.467 -1.421) 2.138 7.290 ( 2.293 -1.552 -0.103) 2.771 7.290 ( 2.293 1.552 -0.103) 2.771 7.435 ( -1.140 -2.056 -0.599) 2.426 7.435 ( -1.140 2.056 -0.599) 2.426 7.676 ( 0.584 -1.499 0.265) 1.631 7.676 ( 0.584 1.499 0.265) 1.631 8.012 ( 0.125 -1.550 -0.663) 1.691 8.012 ( 0.125 1.550 -0.663) 1.691 8.076 ( -1.226 -2.251 -1.641) 3.043 8.076 ( -1.226 2.251 -1.641) 3.043 8.505 ( 1.384 -1.866 1.561) 2.799 8.505 ( 1.384 1.866 1.561) 2.799 8.697 ( -1.514 -1.936 -1.554) 2.907 8.697 ( -1.514 1.936 -1.554) 2.907 11.693 ( -0.013 -0.408 0.770) 0.872 11.693 ( -0.013 0.408 0.770) 0.872 11.715 ( -0.581 -0.536 -0.538) 0.956 11.715 ( -0.581 0.536 -0.538) 0.956 14.026 ( 0.053 -0.567 0.701) 0.903 14.026 ( 0.053 0.567 0.701) 0.903 14.263 ( 1.806 -0.385 0.794) 2.010 14.263 ( 1.806 0.385 0.794) 2.010 15.420 ( -0.271 -0.640 -0.641) 0.946 15.420 ( -0.271 0.640 -0.641) 0.946 15.805 ( -0.296 -2.504 -0.484) 2.567 15.805 ( -0.296 2.504 -0.484) 2.567 16.317 ( -0.268 -0.949 -1.428) 1.735 16.317 ( -0.268 0.949 -1.428) 1.735 16.633 ( -0.202 -1.110 0.289) 1.165 16.633 ( -0.202 1.110 0.289) 1.165 ======================= Grid point 127 (73/75) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -4.106 -1.082 2.607) 4.982 1.726 ( -4.106 1.082 2.607) 4.982 1.884 ( -6.640 -5.817 8.255) 12.087 1.884 ( -6.640 5.817 8.255) 12.087 2.000 ( 1.188 -2.715 -2.153) 3.663 2.000 ( 1.188 2.715 -2.153) 3.663 2.119 ( 0.967 -1.766 -1.171) 2.329 2.119 ( 0.967 1.766 -1.171) 2.329 2.283 ( -5.519 -2.436 -3.906) 7.186 2.283 ( -5.519 2.436 -3.906) 7.186 2.320 ( -1.344 -2.223 -4.859) 5.510 2.320 ( -1.344 2.223 -4.859) 5.510 2.444 ( 5.041 -3.188 -1.453) 6.139 2.444 ( 5.041 3.188 -1.453) 6.139 2.586 ( 13.109 -5.961 2.099) 14.553 2.586 ( 13.109 5.961 2.099) 14.553 2.847 ( -0.445 -0.913 0.584) 1.171 2.847 ( -0.445 0.913 0.584) 1.171 3.116 ( -2.672 -3.371 0.117) 4.303 3.116 ( -2.672 3.371 0.117) 4.303 3.294 ( -3.473 -1.527 -0.181) 3.798 3.294 ( -3.473 1.527 -0.181) 3.798 3.326 ( 2.160 -5.197 2.328) 6.090 3.326 ( 2.160 5.197 2.328) 6.090 3.756 ( -3.479 -3.928 1.073) 5.356 3.756 ( -3.479 3.928 1.073) 5.356 3.782 ( 1.456 -8.991 3.667) 9.819 3.782 ( 1.456 8.991 3.667) 9.819 4.070 ( -1.393 -1.801 4.130) 4.716 4.070 ( -1.393 1.801 4.130) 4.716 4.206 ( 2.484 -0.522 -6.099) 6.606 4.206 ( 2.484 0.522 -6.099) 6.606 4.445 ( 1.242 -1.470 0.381) 1.962 4.445 ( 1.242 1.470 0.381) 1.962 4.541 ( 1.147 -2.350 -1.911) 3.239 4.541 ( 1.147 2.350 -1.911) 3.239 4.774 ( 0.742 -0.768 -0.837) 1.357 4.774 ( 0.742 0.768 -0.837) 1.357 4.984 ( -2.068 -2.513 0.378) 3.277 4.984 ( -2.068 2.513 0.378) 3.277 5.028 ( -0.096 -1.548 -2.615) 3.041 5.028 ( -0.096 1.548 -2.615) 3.041 5.357 ( 1.741 -0.239 0.258) 1.777 5.357 ( 1.741 0.239 0.258) 1.777 5.589 ( -3.954 -1.845 1.364) 4.571 5.589 ( -3.954 1.845 1.364) 4.571 5.658 ( 2.170 -0.081 -0.500) 2.228 5.658 ( 2.170 0.081 -0.500) 2.228 5.793 ( 1.843 -2.608 2.816) 4.258 5.793 ( 1.843 2.608 2.816) 4.258 5.916 ( -0.749 -0.559 -0.031) 0.935 5.916 ( -0.749 0.559 -0.031) 0.935 6.236 ( 1.357 -0.736 -0.344) 1.581 6.236 ( 1.357 0.736 -0.344) 1.581 6.350 ( -2.059 -0.868 -0.306) 2.255 6.350 ( -2.059 0.868 -0.306) 2.255 6.476 ( 2.793 -1.395 -1.906) 3.657 6.476 ( 2.793 1.395 -1.906) 3.657 6.762 ( 0.218 -0.435 1.295) 1.384 6.762 ( 0.218 0.435 1.295) 1.384 6.981 ( 0.245 -2.666 3.620) 4.502 6.981 ( 0.245 2.666 3.620) 4.502 7.046 ( -0.502 -1.564 -1.280) 2.083 7.046 ( -0.502 1.564 -1.280) 2.083 7.182 ( -1.244 -1.405 -0.257) 1.894 7.182 ( -1.244 1.405 -0.257) 1.894 7.314 ( -0.606 -1.245 -2.050) 2.474 7.314 ( -0.606 1.245 -2.050) 2.474 7.422 ( 0.318 -1.717 0.794) 1.918 7.422 ( 0.318 1.717 0.794) 1.918 7.691 ( 1.034 -1.393 -1.263) 2.146 7.691 ( 1.034 1.393 -1.263) 2.146 8.000 ( -1.296 -0.763 0.622) 1.628 8.000 ( -1.296 0.763 0.622) 1.628 8.064 ( 0.458 -1.689 -0.479) 1.814 8.064 ( 0.458 1.689 -0.479) 1.814 8.515 ( -0.871 -2.139 0.619) 2.391 8.515 ( -0.871 2.139 0.619) 2.391 8.696 ( 2.140 -1.494 -1.624) 3.074 8.696 ( 2.140 1.494 -1.624) 3.074 11.698 ( 0.150 -0.405 0.441) 0.617 11.698 ( 0.150 0.405 0.441) 0.617 11.708 ( 0.176 -0.374 -0.068) 0.419 11.708 ( 0.176 0.374 -0.068) 0.419 14.025 ( -0.509 -0.543 0.838) 1.120 14.025 ( -0.509 0.543 0.838) 1.120 14.279 ( -0.230 -2.078 -0.800) 2.238 14.279 ( -0.230 2.078 -0.800) 2.238 15.419 ( 0.364 -0.727 -0.429) 0.919 15.419 ( 0.364 0.727 -0.429) 0.919 15.792 ( -1.064 -0.891 0.723) 1.564 15.792 ( -1.064 0.891 0.723) 1.564 16.315 ( 0.624 -0.668 -1.200) 1.509 16.315 ( 0.624 0.668 -1.200) 1.509 16.638 ( 0.659 -0.627 -0.192) 0.930 16.638 ( 0.659 0.627 -0.192) 0.930 ======================= Grid point 129 (74/75) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -4.837 -3.545 4.883) 7.734 1.648 ( -4.837 3.545 4.883) 7.734 1.779 ( -7.642 -8.820 10.736) 15.857 1.779 ( -7.642 8.820 10.736) 15.857 1.980 ( -4.931 -7.179 -6.259) 10.725 1.980 ( -4.931 7.179 -6.259) 10.725 2.040 ( -2.066 -3.889 -2.297) 4.967 2.040 ( -2.066 3.889 -2.297) 4.967 2.210 ( -0.535 -5.209 -5.422) 7.538 2.210 ( -0.535 5.209 -5.422) 7.538 2.354 ( 5.667 -4.060 -6.446) 9.494 2.354 ( 5.667 4.060 -6.446) 9.494 2.530 ( 3.942 -1.284 -0.639) 4.194 2.530 ( 3.942 1.284 -0.639) 4.194 2.759 ( 4.374 -5.149 -5.006) 8.409 2.759 ( 4.374 5.149 -5.006) 8.409 2.922 ( 1.145 -9.653 10.340) 14.192 2.922 ( 1.145 9.653 10.340) 14.192 3.081 ( 1.645 -6.856 4.863) 8.565 3.081 ( 1.645 6.856 4.863) 8.565 3.233 ( -1.420 -1.620 -0.295) 2.175 3.233 ( -1.420 1.620 -0.295) 2.175 3.388 ( 2.432 -5.915 2.994) 7.061 3.388 ( 2.432 5.915 2.994) 7.061 3.702 ( -1.414 -5.105 -0.565) 5.327 3.702 ( -1.414 5.105 -0.565) 5.327 3.805 ( -1.260 -11.675 3.922) 12.380 3.805 ( -1.260 11.675 3.922) 12.380 4.068 ( 0.074 -3.839 1.849) 4.261 4.068 ( 0.074 3.839 1.849) 4.261 4.201 ( -0.391 -2.308 -6.548) 6.954 4.201 ( -0.391 2.308 -6.548) 6.954 4.469 ( 1.052 -2.165 -0.384) 2.437 4.469 ( 1.052 2.165 -0.384) 2.437 4.597 ( 4.493 -2.760 0.417) 5.290 4.597 ( 4.493 2.760 0.417) 5.290 4.779 ( 0.357 -2.388 -2.243) 3.296 4.779 ( 0.357 2.388 -2.243) 3.296 4.926 ( -3.490 -2.563 -0.719) 4.389 4.926 ( -3.490 2.563 -0.719) 4.389 5.014 ( -0.313 -1.297 -1.518) 2.022 5.014 ( -0.313 1.297 -1.518) 2.022 5.404 ( 1.755 -1.374 -0.541) 2.293 5.404 ( 1.755 1.374 -0.541) 2.293 5.526 ( -2.246 -2.928 2.878) 4.680 5.526 ( -2.246 2.928 2.878) 4.680 5.692 ( 2.115 -0.652 -1.573) 2.716 5.692 ( 2.115 0.652 -1.573) 2.716 5.844 ( 0.802 -5.939 1.770) 6.248 5.844 ( 0.802 5.939 1.770) 6.248 5.921 ( 1.667 -2.806 3.200) 4.571 5.921 ( 1.667 2.806 3.200) 4.571 6.271 ( 1.087 -1.540 -0.792) 2.045 6.271 ( 1.087 1.540 -0.792) 2.045 6.320 ( 1.752 -0.375 -0.151) 1.798 6.320 ( 1.752 0.375 -0.151) 1.798 6.523 ( 2.414 -2.618 -2.144) 4.157 6.523 ( 2.414 2.618 -2.144) 4.157 6.767 ( -1.076 -2.491 1.603) 3.152 6.767 ( -1.076 2.491 1.603) 3.152 6.990 ( -0.489 -2.491 -1.382) 2.890 6.990 ( -0.489 2.491 -1.382) 2.890 7.029 ( -0.494 -2.380 1.204) 2.713 7.029 ( -0.494 2.380 1.204) 2.713 7.148 ( -2.587 -2.007 0.062) 3.274 7.148 ( -2.587 2.007 0.062) 3.274 7.268 ( -2.068 -2.401 -1.743) 3.617 7.268 ( -2.068 2.401 -1.743) 3.617 7.439 ( 0.507 -3.804 0.455) 3.864 7.439 ( 0.507 3.804 0.455) 3.864 7.700 ( 0.529 -2.521 -2.022) 3.275 7.700 ( 0.529 2.521 -2.022) 3.275 7.991 ( 0.342 -1.653 1.220) 2.083 7.991 ( 0.342 1.653 1.220) 2.083 8.073 ( 0.233 -4.378 0.715) 4.442 8.073 ( 0.233 4.378 0.715) 4.442 8.484 ( -2.143 -4.248 -0.604) 4.797 8.484 ( -2.143 4.248 -0.604) 4.797 8.756 ( 4.421 -1.822 -1.510) 5.014 8.756 ( 4.421 1.822 -1.510) 5.014 11.701 ( 0.198 -0.034 -0.129) 0.239 11.701 ( 0.198 0.034 -0.129) 0.239 11.720 ( 0.735 -0.824 0.632) 1.272 11.720 ( 0.735 0.824 0.632) 1.272 14.016 ( -0.643 -0.406 0.817) 1.116 14.016 ( -0.643 0.406 0.817) 1.116 14.245 ( -2.755 -3.203 -2.108) 4.721 14.245 ( -2.755 3.203 -2.108) 4.721 15.431 ( 1.011 -0.900 -0.359) 1.400 15.431 ( 1.011 0.900 -0.359) 1.400 15.772 ( -1.538 -0.427 2.084) 2.625 15.772 ( -1.538 0.427 2.084) 2.625 16.331 ( 1.431 -1.010 -1.154) 2.097 16.331 ( 1.431 1.010 -1.154) 2.097 16.656 ( 1.348 -0.253 -0.725) 1.551 16.656 ( 1.348 0.253 -0.725) 1.551 ======================= Grid point 131 (75/75) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -4.702 -9.462 5.532) 11.926 1.582 ( -4.702 9.462 5.532) 11.926 1.704 ( -3.567 -12.053 9.674) 15.861 1.704 ( -3.567 12.053 9.674) 15.861 1.868 ( -2.772 -10.191 -3.457) 11.113 1.868 ( -2.772 10.191 -3.457) 11.113 2.011 ( -0.720 -6.263 -5.180) 8.159 2.011 ( -0.720 6.263 -5.180) 8.159 2.187 ( -0.308 -4.285 -3.988) 5.862 2.187 ( -0.308 4.285 -3.988) 5.862 2.427 ( 3.350 -3.046 -7.273) 8.567 2.427 ( 3.350 3.046 -7.273) 8.567 2.597 ( 3.862 -2.464 2.796) 5.367 2.597 ( 3.862 2.464 2.796) 5.367 2.770 ( -2.428 -4.878 2.393) 5.951 2.770 ( -2.428 4.878 2.393) 5.951 2.913 ( -1.636 -9.417 3.929) 10.334 2.913 ( -1.636 9.417 3.929) 10.334 3.114 ( -1.181 -3.562 1.700) 4.120 3.114 ( -1.181 3.562 1.700) 4.120 3.320 ( 7.537 -6.621 1.992) 10.228 3.320 ( 7.537 6.621 1.992) 10.228 3.436 ( 1.859 -4.740 3.402) 6.124 3.436 ( 1.859 4.740 3.402) 6.124 3.693 ( -0.133 -7.492 -0.951) 7.553 3.693 ( -0.133 7.492 -0.951) 7.553 3.780 ( -1.916 -8.048 3.032) 8.811 3.780 ( -1.916 8.048 3.032) 8.811 4.077 ( 0.285 -4.960 0.003) 4.968 4.077 ( 0.285 4.960 0.003) 4.968 4.154 ( -1.670 -4.336 -5.128) 6.920 4.154 ( -1.670 4.336 -5.128) 6.920 4.480 ( 0.115 -1.530 0.370) 1.578 4.480 ( 0.115 1.530 0.370) 1.578 4.675 ( 2.600 -0.752 -0.196) 2.713 4.675 ( 2.600 0.752 -0.196) 2.713 4.779 ( 0.828 -1.422 -1.620) 2.309 4.779 ( 0.828 1.422 -1.620) 2.309 4.863 ( -2.252 -2.101 -2.039) 3.694 4.863 ( -2.252 2.101 -2.039) 3.694 5.009 ( 0.237 -0.404 -1.153) 1.245 5.009 ( 0.237 0.404 -1.153) 1.245 5.374 ( -3.228 -0.385 -0.926) 3.380 5.374 ( -3.228 0.385 -0.926) 3.380 5.562 ( 3.540 -5.338 3.338) 7.223 5.562 ( 3.540 5.338 3.338) 7.223 5.723 ( 0.949 -1.548 -2.184) 2.840 5.723 ( 0.949 1.548 -2.184) 2.840 5.835 ( -0.919 -3.733 1.758) 4.227 5.835 ( -0.919 3.733 1.758) 4.227 5.997 ( 3.759 -0.853 2.939) 4.848 5.997 ( 3.759 0.853 2.939) 4.848 6.267 ( 0.155 -1.339 0.138) 1.355 6.267 ( 0.155 1.339 0.138) 1.355 6.431 ( 7.384 -0.354 0.460) 7.407 6.431 ( 7.384 0.354 0.460) 7.407 6.544 ( 0.676 -3.267 -1.460) 3.641 6.544 ( 0.676 3.267 -1.460) 3.641 6.722 ( -3.968 -2.246 1.372) 4.761 6.722 ( -3.968 2.246 1.372) 4.761 6.920 ( -5.039 -2.839 -4.201) 7.149 6.920 ( -5.039 2.839 -4.201) 7.149 7.034 ( -1.029 -2.279 1.962) 3.178 7.034 ( -1.029 2.279 1.962) 3.178 7.112 ( -0.020 -0.705 -0.731) 1.016 7.112 ( -0.020 0.705 -0.731) 1.016 7.252 ( 0.829 -2.931 0.349) 3.066 7.252 ( 0.829 2.931 0.349) 3.066 7.431 ( -1.400 -4.938 -0.316) 5.142 7.431 ( -1.400 4.938 -0.316) 5.142 7.695 ( -0.268 -1.327 -1.400) 1.947 7.695 ( -0.268 1.327 -1.400) 1.947 8.016 ( 1.202 -0.816 1.166) 1.863 8.016 ( 1.202 0.816 1.166) 1.863 8.083 ( 0.871 -4.724 0.456) 4.825 8.083 ( 0.871 4.724 0.456) 4.825 8.439 ( -2.049 -4.168 -0.858) 4.723 8.439 ( -2.049 4.168 -0.858) 4.723 8.836 ( 4.053 -1.385 -1.814) 4.652 8.836 ( 4.053 1.385 -1.814) 4.652 11.705 ( 0.216 -0.102 -0.000) 0.239 11.705 ( 0.216 0.102 -0.000) 0.239 11.736 ( 0.616 -0.601 0.510) 1.000 11.736 ( 0.616 0.601 0.510) 1.000 14.013 ( 0.268 -0.320 0.807) 0.908 14.013 ( 0.268 0.320 0.807) 0.908 14.165 ( -4.416 -2.608 -2.035) 5.517 14.165 ( -4.416 2.608 -2.035) 5.517 15.451 ( 1.157 -1.251 -0.662) 1.828 15.451 ( 1.157 1.251 -0.662) 1.828 15.754 ( -1.118 -0.493 2.671) 2.937 15.754 ( -1.118 0.493 2.671) 2.937 16.355 ( 1.440 -0.804 -1.304) 2.103 16.355 ( 1.440 0.804 -1.304) 2.103 16.679 ( 1.226 -0.271 -1.035) 1.628 16.679 ( 1.226 0.271 -1.035) 1.628 =================== 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 3/18816 10.0 899.265 834.230 955.238 0.000 26.796 0.000 3/18816 20.0 111.822 130.602 136.152 0.000 -8.883 0.000 3/18816 30.0 39.559 46.694 47.588 0.000 -3.685 0.000 3/18816 40.0 21.040 24.642 24.769 0.000 -1.895 0.000 3/18816 50.0 13.595 15.808 15.719 0.000 -1.157 0.000 3/18816 60.0 9.817 11.350 11.198 0.000 -0.793 0.000 3/18816 70.0 7.610 8.759 8.594 0.000 -0.589 0.000 3/18816 80.0 6.192 7.102 6.941 0.000 -0.463 0.000 3/18816 90.0 5.217 5.966 5.813 0.000 -0.380 0.000 3/18816 100.0 4.509 5.145 5.001 0.000 -0.321 0.000 3/18816 110.0 3.973 4.526 4.391 0.000 -0.278 0.000 3/18816 120.0 3.555 4.043 3.916 0.000 -0.245 0.000 3/18816 130.0 3.219 3.657 3.538 0.000 -0.219 0.000 3/18816 140.0 2.944 3.341 3.228 0.000 -0.198 0.000 3/18816 150.0 2.714 3.077 2.971 0.000 -0.181 0.000 3/18816 160.0 2.518 2.854 2.753 0.000 -0.167 0.000 3/18816 170.0 2.351 2.662 2.566 0.000 -0.155 0.000 3/18816 180.0 2.205 2.496 2.404 0.000 -0.145 0.000 3/18816 190.0 2.077 2.350 2.262 0.000 -0.136 0.000 3/18816 200.0 1.963 2.221 2.137 0.000 -0.128 0.000 3/18816 210.0 1.862 2.106 2.026 0.000 -0.121 0.000 3/18816 220.0 1.771 2.002 1.926 0.000 -0.115 0.000 3/18816 230.0 1.689 1.909 1.836 0.000 -0.110 0.000 3/18816 240.0 1.615 1.825 1.754 0.000 -0.105 0.000 3/18816 250.0 1.547 1.747 1.679 0.000 -0.100 0.000 3/18816 260.0 1.485 1.677 1.611 0.000 -0.096 0.000 3/18816 270.0 1.427 1.612 1.548 0.000 -0.092 0.000 3/18816 280.0 1.374 1.552 1.490 0.000 -0.089 0.000 3/18816 290.0 1.325 1.496 1.437 0.000 -0.086 0.000 3/18816 300.0 1.280 1.445 1.387 0.000 -0.083 0.000 3/18816 310.0 1.237 1.397 1.341 0.000 -0.080 0.000 3/18816 320.0 1.197 1.352 1.298 0.000 -0.077 0.000 3/18816 330.0 1.160 1.310 1.257 0.000 -0.075 0.000 3/18816 340.0 1.125 1.270 1.219 0.000 -0.073 0.000 3/18816 350.0 1.093 1.233 1.183 0.000 -0.070 0.000 3/18816 360.0 1.062 1.198 1.150 0.000 -0.068 0.000 3/18816 370.0 1.032 1.165 1.118 0.000 -0.067 0.000 3/18816 380.0 1.005 1.134 1.088 0.000 -0.065 0.000 3/18816 390.0 0.979 1.105 1.060 0.000 -0.063 0.000 3/18816 400.0 0.954 1.077 1.033 0.000 -0.061 0.000 3/18816 410.0 0.930 1.050 1.007 0.000 -0.060 0.000 3/18816 420.0 0.908 1.025 0.983 0.000 -0.059 0.000 3/18816 430.0 0.887 1.001 0.960 0.000 -0.057 0.000 3/18816 440.0 0.866 0.978 0.938 0.000 -0.056 0.000 3/18816 450.0 0.847 0.956 0.917 0.000 -0.055 0.000 3/18816 460.0 0.828 0.935 0.897 0.000 -0.053 0.000 3/18816 470.0 0.811 0.915 0.877 0.000 -0.052 0.000 3/18816 480.0 0.794 0.896 0.859 0.000 -0.051 0.000 3/18816 490.0 0.777 0.877 0.841 0.000 -0.050 0.000 3/18816 500.0 0.762 0.860 0.824 0.000 -0.049 0.000 3/18816 510.0 0.747 0.843 0.808 0.000 -0.048 0.000 3/18816 520.0 0.732 0.826 0.792 0.000 -0.047 0.000 3/18816 530.0 0.718 0.811 0.777 0.000 -0.046 0.000 3/18816 540.0 0.705 0.796 0.763 0.000 -0.046 0.000 3/18816 550.0 0.692 0.781 0.749 0.000 -0.045 0.000 3/18816 560.0 0.680 0.767 0.736 0.000 -0.044 0.000 3/18816 570.0 0.668 0.754 0.723 0.000 -0.043 0.000 3/18816 580.0 0.656 0.741 0.710 0.000 -0.042 0.000 3/18816 590.0 0.645 0.728 0.698 0.000 -0.042 0.000 3/18816 600.0 0.634 0.716 0.686 0.000 -0.041 0.000 3/18816 610.0 0.624 0.704 0.675 0.000 -0.040 0.000 3/18816 620.0 0.614 0.693 0.664 0.000 -0.040 0.000 3/18816 630.0 0.604 0.682 0.654 0.000 -0.039 0.000 3/18816 640.0 0.595 0.671 0.643 0.000 -0.038 0.000 3/18816 650.0 0.586 0.661 0.634 0.000 -0.038 0.000 3/18816 660.0 0.577 0.651 0.624 0.000 -0.037 0.000 3/18816 670.0 0.568 0.641 0.615 0.000 -0.037 0.000 3/18816 680.0 0.560 0.632 0.606 0.000 -0.036 0.000 3/18816 690.0 0.552 0.623 0.597 0.000 -0.036 0.000 3/18816 700.0 0.544 0.614 0.588 0.000 -0.035 0.000 3/18816 710.0 0.536 0.605 0.580 0.000 -0.035 0.000 3/18816 720.0 0.529 0.597 0.572 0.000 -0.034 0.000 3/18816 730.0 0.521 0.589 0.564 0.000 -0.034 0.000 3/18816 740.0 0.514 0.581 0.557 0.000 -0.033 0.000 3/18816 750.0 0.508 0.573 0.549 0.000 -0.033 0.000 3/18816 760.0 0.501 0.565 0.542 0.000 -0.032 0.000 3/18816 770.0 0.494 0.558 0.535 0.000 -0.032 0.000 3/18816 780.0 0.488 0.551 0.528 0.000 -0.032 0.000 3/18816 790.0 0.482 0.544 0.521 0.000 -0.031 0.000 3/18816 800.0 0.476 0.537 0.515 0.000 -0.031 0.000 3/18816 810.0 0.470 0.531 0.508 0.000 -0.030 0.000 3/18816 820.0 0.464 0.524 0.502 0.000 -0.030 0.000 3/18816 830.0 0.459 0.518 0.496 0.000 -0.030 0.000 3/18816 840.0 0.453 0.512 0.490 0.000 -0.029 0.000 3/18816 850.0 0.448 0.506 0.485 0.000 -0.029 0.000 3/18816 860.0 0.443 0.500 0.479 0.000 -0.029 0.000 3/18816 870.0 0.438 0.494 0.473 0.000 -0.028 0.000 3/18816 880.0 0.433 0.488 0.468 0.000 -0.028 0.000 3/18816 890.0 0.428 0.483 0.463 0.000 -0.028 0.000 3/18816 900.0 0.423 0.478 0.458 0.000 -0.027 0.000 3/18816 910.0 0.418 0.472 0.453 0.000 -0.027 0.000 3/18816 920.0 0.414 0.467 0.448 0.000 -0.027 0.000 3/18816 930.0 0.409 0.462 0.443 0.000 -0.027 0.000 3/18816 940.0 0.405 0.457 0.438 0.000 -0.026 0.000 3/18816 950.0 0.401 0.453 0.434 0.000 -0.026 0.000 3/18816 960.0 0.397 0.448 0.429 0.000 -0.026 0.000 3/18816 970.0 0.393 0.443 0.425 0.000 -0.025 0.000 3/18816 980.0 0.389 0.439 0.420 0.000 -0.025 0.000 3/18816 990.0 0.385 0.434 0.416 0.000 -0.025 0.000 3/18816 1000.0 0.381 0.430 0.412 0.000 -0.025 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m747.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:35:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|