----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:35:19]------------------------- 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 2 1] 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 8.036323503259899 0.000000000000000 0.000000000000000 b 0.000000000000000 5.653293960000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): *1 O 0.74954194581732 0.34700990012228 0.00175682463600 15.999 2 O 0.25045805418268 0.84700990012228 0.49824317536400 15.999 3 O 0.25045805418268 0.65299009987772 0.99824317536400 15.999 4 O 0.74954194581732 0.15299009987772 0.50175682463600 15.999 *5 O 0.98011700237821 0.23936298903527 0.87846275270098 15.999 6 O 0.01988299762179 0.73936298903527 0.62153724729902 15.999 7 O 0.01988299762179 0.76063701096473 0.12153724729902 15.999 8 O 0.98011700237821 0.26063701096473 0.37846275270098 15.999 *9 O 0.39439002654231 0.19846878140538 0.92651887363269 15.999 10 O 0.60560997345769 0.69846878140538 0.57348112636731 15.999 11 O 0.60560997345769 0.80153121859462 0.07348112636731 15.999 12 O 0.39439002654231 0.30153121859462 0.42651887363269 15.999 *13 O 0.55440708242510 0.33143925388431 0.16515148761507 15.999 14 O 0.44559291757490 0.83143925388431 0.33484851238493 15.999 15 O 0.44559291757490 0.66856074611569 0.83484851238493 15.999 16 O 0.55440708242510 0.16856074611569 0.66515148761507 15.999 *17 O 0.10826325916196 0.28995741597815 0.14231406304955 15.999 18 O 0.89173674083804 0.78995741597815 0.35768593695045 15.999 19 O 0.89173674083804 0.71004258402185 0.85768593695045 15.999 20 O 0.10826325916196 0.21004258402185 0.64231406304955 15.999 *21 Sr 0.84412814624029 0.06876803901728 0.18171730784285 87.620 22 Sr 0.15587185375971 0.56876803901728 0.31828269215715 87.620 23 Sr 0.15587185375971 0.93123196098272 0.81828269215715 87.620 24 Sr 0.84412814624029 0.43123196098272 0.68171730784285 87.620 *25 Sr 0.66063157437970 0.50061376182422 0.36281919474170 87.620 26 Sr 0.33936842562030 0.00061376182422 0.13718080525830 87.620 27 Sr 0.33936842562030 0.49938623817578 0.63718080525830 87.620 28 Sr 0.66063157437970 0.99938623817578 0.86281919474170 87.620 *29 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 *31 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.036323503259899 0.000000000000000 0.000000000000000 b 0.000000000000000 5.653293960000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): *1 O 0.74954194581732 0.34700990012228 0.00175682463600 15.999 > 1 2 O 0.25045805418268 0.84700990012228 0.49824317536400 15.999 > 2 3 O 0.25045805418268 0.65299009987772 0.99824317536400 15.999 > 3 4 O 0.74954194581732 0.15299009987772 0.50175682463600 15.999 > 4 *5 O 0.98011700237821 0.23936298903527 0.87846275270098 15.999 > 5 6 O 0.01988299762179 0.73936298903527 0.62153724729902 15.999 > 6 7 O 0.01988299762179 0.76063701096473 0.12153724729902 15.999 > 7 8 O 0.98011700237821 0.26063701096473 0.37846275270098 15.999 > 8 *9 O 0.39439002654231 0.19846878140538 0.92651887363269 15.999 > 9 10 O 0.60560997345769 0.69846878140538 0.57348112636731 15.999 > 10 11 O 0.60560997345769 0.80153121859462 0.07348112636731 15.999 > 11 12 O 0.39439002654231 0.30153121859462 0.42651887363269 15.999 > 12 *13 O 0.55440708242510 0.33143925388431 0.16515148761507 15.999 > 13 14 O 0.44559291757490 0.83143925388431 0.33484851238493 15.999 > 14 15 O 0.44559291757490 0.66856074611569 0.83484851238493 15.999 > 15 16 O 0.55440708242510 0.16856074611569 0.66515148761507 15.999 > 16 *17 O 0.10826325916196 0.28995741597815 0.14231406304955 15.999 > 17 18 O 0.89173674083804 0.78995741597815 0.35768593695045 15.999 > 18 19 O 0.89173674083804 0.71004258402185 0.85768593695045 15.999 > 19 20 O 0.10826325916196 0.21004258402185 0.64231406304955 15.999 > 20 *21 Sr 0.84412814624029 0.06876803901728 0.18171730784285 87.620 > 21 22 Sr 0.15587185375971 0.56876803901728 0.31828269215715 87.620 > 22 23 Sr 0.15587185375971 0.93123196098272 0.81828269215715 87.620 > 23 24 Sr 0.84412814624029 0.43123196098272 0.68171730784285 87.620 > 24 *25 Sr 0.66063157437970 0.50061376182422 0.36281919474170 87.620 > 25 26 Sr 0.33936842562030 0.00061376182422 0.13718080525830 87.620 > 26 27 Sr 0.33936842562030 0.49938623817578 0.63718080525830 87.620 > 27 28 Sr 0.66063157437970 0.99938623817578 0.86281919474170 87.620 > 28 *29 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 29 30 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 30 *31 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 31 32 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.072647006519798 0.000000000000000 0.000000000000000 b 0.000000000000000 11.306587920000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): *1 O 0.37477097290866 0.17350495006114 0.00175682463600 15.999 > 1 2 O 0.87477097290866 0.17350495006114 0.00175682463600 15.999 > 1 3 O 0.37477097290866 0.67350495006114 0.00175682463600 15.999 > 1 4 O 0.87477097290866 0.67350495006114 0.00175682463600 15.999 > 1 5 O 0.12522902709134 0.42350495006114 0.49824317536400 15.999 > 2 6 O 0.62522902709134 0.42350495006114 0.49824317536400 15.999 > 2 7 O 0.12522902709134 0.92350495006114 0.49824317536400 15.999 > 2 8 O 0.62522902709134 0.92350495006114 0.49824317536400 15.999 > 2 9 O 0.12522902709134 0.32649504993886 0.99824317536400 15.999 > 3 10 O 0.62522902709134 0.32649504993886 0.99824317536400 15.999 > 3 11 O 0.12522902709134 0.82649504993886 0.99824317536400 15.999 > 3 12 O 0.62522902709134 0.82649504993886 0.99824317536400 15.999 > 3 13 O 0.37477097290866 0.07649504993886 0.50175682463600 15.999 > 4 14 O 0.87477097290866 0.07649504993886 0.50175682463600 15.999 > 4 15 O 0.37477097290866 0.57649504993886 0.50175682463600 15.999 > 4 16 O 0.87477097290866 0.57649504993886 0.50175682463600 15.999 > 4 *17 O 0.49005850118910 0.11968149451763 0.87846275270098 15.999 > 5 18 O 0.99005850118910 0.11968149451763 0.87846275270098 15.999 > 5 19 O 0.49005850118910 0.61968149451763 0.87846275270098 15.999 > 5 20 O 0.99005850118910 0.61968149451763 0.87846275270098 15.999 > 5 21 O 0.00994149881090 0.36968149451763 0.62153724729902 15.999 > 6 22 O 0.50994149881090 0.36968149451763 0.62153724729902 15.999 > 6 23 O 0.00994149881090 0.86968149451763 0.62153724729902 15.999 > 6 24 O 0.50994149881090 0.86968149451763 0.62153724729902 15.999 > 6 25 O 0.00994149881090 0.38031850548237 0.12153724729902 15.999 > 7 26 O 0.50994149881090 0.38031850548237 0.12153724729902 15.999 > 7 27 O 0.00994149881090 0.88031850548237 0.12153724729902 15.999 > 7 28 O 0.50994149881090 0.88031850548237 0.12153724729902 15.999 > 7 29 O 0.49005850118910 0.13031850548237 0.37846275270098 15.999 > 8 30 O 0.99005850118910 0.13031850548237 0.37846275270098 15.999 > 8 31 O 0.49005850118910 0.63031850548237 0.37846275270098 15.999 > 8 32 O 0.99005850118910 0.63031850548237 0.37846275270098 15.999 > 8 *33 O 0.19719501327115 0.09923439070269 0.92651887363269 15.999 > 9 34 O 0.69719501327115 0.09923439070269 0.92651887363269 15.999 > 9 35 O 0.19719501327115 0.59923439070269 0.92651887363269 15.999 > 9 36 O 0.69719501327115 0.59923439070269 0.92651887363269 15.999 > 9 37 O 0.30280498672885 0.34923439070269 0.57348112636731 15.999 > 10 38 O 0.80280498672885 0.34923439070269 0.57348112636731 15.999 > 10 39 O 0.30280498672885 0.84923439070269 0.57348112636731 15.999 > 10 40 O 0.80280498672885 0.84923439070269 0.57348112636731 15.999 > 10 41 O 0.30280498672885 0.40076560929731 0.07348112636731 15.999 > 11 42 O 0.80280498672885 0.40076560929731 0.07348112636731 15.999 > 11 43 O 0.30280498672885 0.90076560929731 0.07348112636731 15.999 > 11 44 O 0.80280498672885 0.90076560929731 0.07348112636731 15.999 > 11 45 O 0.19719501327115 0.15076560929731 0.42651887363269 15.999 > 12 46 O 0.69719501327115 0.15076560929731 0.42651887363269 15.999 > 12 47 O 0.19719501327115 0.65076560929731 0.42651887363269 15.999 > 12 48 O 0.69719501327115 0.65076560929731 0.42651887363269 15.999 > 12 *49 O 0.27720354121255 0.16571962694216 0.16515148761507 15.999 > 13 50 O 0.77720354121255 0.16571962694216 0.16515148761507 15.999 > 13 51 O 0.27720354121255 0.66571962694216 0.16515148761507 15.999 > 13 52 O 0.77720354121255 0.66571962694216 0.16515148761507 15.999 > 13 53 O 0.22279645878745 0.41571962694216 0.33484851238493 15.999 > 14 54 O 0.72279645878745 0.41571962694216 0.33484851238493 15.999 > 14 55 O 0.22279645878745 0.91571962694216 0.33484851238493 15.999 > 14 56 O 0.72279645878745 0.91571962694216 0.33484851238493 15.999 > 14 57 O 0.22279645878745 0.33428037305784 0.83484851238493 15.999 > 15 58 O 0.72279645878745 0.33428037305784 0.83484851238493 15.999 > 15 59 O 0.22279645878745 0.83428037305784 0.83484851238493 15.999 > 15 60 O 0.72279645878745 0.83428037305784 0.83484851238493 15.999 > 15 61 O 0.27720354121255 0.08428037305784 0.66515148761507 15.999 > 16 62 O 0.77720354121255 0.08428037305784 0.66515148761507 15.999 > 16 63 O 0.27720354121255 0.58428037305784 0.66515148761507 15.999 > 16 64 O 0.77720354121255 0.58428037305784 0.66515148761507 15.999 > 16 *65 O 0.05413162958098 0.14497870798908 0.14231406304955 15.999 > 17 66 O 0.55413162958098 0.14497870798908 0.14231406304955 15.999 > 17 67 O 0.05413162958098 0.64497870798907 0.14231406304955 15.999 > 17 68 O 0.55413162958098 0.64497870798907 0.14231406304955 15.999 > 17 69 O 0.44586837041902 0.39497870798907 0.35768593695045 15.999 > 18 70 O 0.94586837041902 0.39497870798907 0.35768593695045 15.999 > 18 71 O 0.44586837041902 0.89497870798907 0.35768593695045 15.999 > 18 72 O 0.94586837041902 0.89497870798907 0.35768593695045 15.999 > 18 73 O 0.44586837041902 0.35502129201093 0.85768593695045 15.999 > 19 74 O 0.94586837041902 0.35502129201093 0.85768593695045 15.999 > 19 75 O 0.44586837041902 0.85502129201093 0.85768593695045 15.999 > 19 76 O 0.94586837041902 0.85502129201093 0.85768593695045 15.999 > 19 77 O 0.05413162958098 0.10502129201092 0.64231406304955 15.999 > 20 78 O 0.55413162958098 0.10502129201092 0.64231406304955 15.999 > 20 79 O 0.05413162958098 0.60502129201093 0.64231406304955 15.999 > 20 80 O 0.55413162958098 0.60502129201093 0.64231406304955 15.999 > 20 *81 Sr 0.42206407312014 0.03438401950864 0.18171730784285 87.620 > 21 82 Sr 0.92206407312015 0.03438401950864 0.18171730784285 87.620 > 21 83 Sr 0.42206407312014 0.53438401950864 0.18171730784285 87.620 > 21 84 Sr 0.92206407312015 0.53438401950864 0.18171730784285 87.620 > 21 85 Sr 0.07793592687985 0.28438401950864 0.31828269215715 87.620 > 22 86 Sr 0.57793592687985 0.28438401950864 0.31828269215715 87.620 > 22 87 Sr 0.07793592687985 0.78438401950864 0.31828269215715 87.620 > 22 88 Sr 0.57793592687985 0.78438401950864 0.31828269215715 87.620 > 22 89 Sr 0.07793592687985 0.46561598049136 0.81828269215715 87.620 > 23 90 Sr 0.57793592687985 0.46561598049136 0.81828269215715 87.620 > 23 91 Sr 0.07793592687985 0.96561598049136 0.81828269215715 87.620 > 23 92 Sr 0.57793592687985 0.96561598049136 0.81828269215715 87.620 > 23 93 Sr 0.42206407312014 0.21561598049136 0.68171730784285 87.620 > 24 94 Sr 0.92206407312015 0.21561598049136 0.68171730784285 87.620 > 24 95 Sr 0.42206407312014 0.71561598049136 0.68171730784285 87.620 > 24 96 Sr 0.92206407312015 0.71561598049136 0.68171730784285 87.620 > 24 *97 Sr 0.33031578718985 0.25030688091211 0.36281919474170 87.620 > 25 98 Sr 0.83031578718985 0.25030688091211 0.36281919474170 87.620 > 25 99 Sr 0.33031578718985 0.75030688091211 0.36281919474170 87.620 > 25 100 Sr 0.83031578718985 0.75030688091211 0.36281919474170 87.620 > 25 101 Sr 0.16968421281015 0.00030688091211 0.13718080525830 87.620 > 26 102 Sr 0.66968421281015 0.00030688091211 0.13718080525830 87.620 > 26 103 Sr 0.16968421281015 0.50030688091211 0.13718080525830 87.620 > 26 104 Sr 0.66968421281015 0.50030688091211 0.13718080525830 87.620 > 26 105 Sr 0.16968421281015 0.24969311908789 0.63718080525830 87.620 > 27 106 Sr 0.66968421281015 0.24969311908789 0.63718080525830 87.620 > 27 107 Sr 0.16968421281015 0.74969311908789 0.63718080525830 87.620 > 27 108 Sr 0.66968421281015 0.74969311908789 0.63718080525830 87.620 > 27 109 Sr 0.33031578718985 0.49969311908789 0.86281919474170 87.620 > 28 110 Sr 0.83031578718985 0.49969311908789 0.86281919474170 87.620 > 28 111 Sr 0.33031578718985 0.99969311908789 0.86281919474170 87.620 > 28 112 Sr 0.83031578718985 0.99969311908789 0.86281919474170 87.620 > 28 *113 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 29 114 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 29 115 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 29 116 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 29 117 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 30 118 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 30 119 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 30 120 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 30 *121 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 31 122 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 31 123 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 31 124 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 31 125 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 32 126 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 32 127 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 32 128 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1511031 0.0000000 0.0210871 0.0000000 4.0893510 0.0000000 0.0210834 0.0000000 4.0620429 -------------------------- Born effective charges -------------------------- 1 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 2 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 3 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 4 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 5 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 6 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 7 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 8 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 9 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 10 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 11 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 12 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 13 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 14 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 15 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 16 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 17 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 18 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 19 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 20 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 21 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 22 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 23 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 24 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 25 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 26 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 27 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 28 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 29 U 5.5844615 -0.9591620 0.0332347 -0.1421493 5.0187486 0.1446946 0.0873514 -0.2212512 5.3637689 30 U 5.5844615 0.9591620 0.0332347 0.1421493 5.0187486 -0.1446946 0.0873514 0.2212512 5.3637689 31 U 5.6418586 0.5900954 0.2739939 -0.1630678 5.6447911 0.1424977 0.1738975 0.2478813 4.8969938 32 U 5.6418586 -0.5900954 0.2739939 0.1630678 5.6447911 -0.1424977 0.1738975 -0.2478813 4.8969938 ---------------------------------------------------------------------------- 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: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.378 Solver_block: 200 / 960 - Time: 1.207 Solver_block: 300 / 960 - Time: 1.208 Solver_block: 400 / 960 - Time: 1.209 Solver_block: 500 / 960 - Time: 1.209 Solver_block: 600 / 960 - Time: 1.212 Solver_block: 700 / 960 - Time: 1.209 Solver_block: 800 / 960 - Time: 1.205 Solver_block: 900 / 960 - Time: 1.205 Solver_block: 960 / 960 - Time: 0.816 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.178 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yz) -0.00000000 (yz) 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: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 236 eigenvectors found. (2) Block: 528 / 528 (2) 260 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 260), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 04:36:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:36:18]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.036323503259899 0.000000000000000 0.000000000000000 b 0.000000000000000 5.653293960000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): 1 O 0.74954194581732 0.34700990012228 0.00175682463600 15.999 2 O 0.25045805418268 0.84700990012228 0.49824317536400 15.999 3 O 0.25045805418268 0.65299009987772 0.99824317536400 15.999 4 O 0.74954194581732 0.15299009987772 0.50175682463600 15.999 5 O 0.98011700237821 0.23936298903527 0.87846275270098 15.999 6 O 0.01988299762179 0.73936298903527 0.62153724729902 15.999 7 O 0.01988299762179 0.76063701096473 0.12153724729902 15.999 8 O 0.98011700237821 0.26063701096473 0.37846275270098 15.999 9 O 0.39439002654231 0.19846878140538 0.92651887363269 15.999 10 O 0.60560997345769 0.69846878140538 0.57348112636731 15.999 11 O 0.60560997345769 0.80153121859462 0.07348112636731 15.999 12 O 0.39439002654231 0.30153121859462 0.42651887363269 15.999 13 O 0.55440708242510 0.33143925388431 0.16515148761507 15.999 14 O 0.44559291757490 0.83143925388431 0.33484851238493 15.999 15 O 0.44559291757490 0.66856074611569 0.83484851238493 15.999 16 O 0.55440708242510 0.16856074611569 0.66515148761507 15.999 17 O 0.10826325916196 0.28995741597815 0.14231406304955 15.999 18 O 0.89173674083804 0.78995741597815 0.35768593695045 15.999 19 O 0.89173674083804 0.71004258402185 0.85768593695045 15.999 20 O 0.10826325916196 0.21004258402185 0.64231406304955 15.999 21 Sr 0.84412814624029 0.06876803901728 0.18171730784285 87.620 22 Sr 0.15587185375971 0.56876803901728 0.31828269215715 87.620 23 Sr 0.15587185375971 0.93123196098272 0.81828269215715 87.620 24 Sr 0.84412814624029 0.43123196098272 0.68171730784285 87.620 25 Sr 0.66063157437970 0.50061376182422 0.36281919474170 87.620 26 Sr 0.33936842562030 0.00061376182422 0.13718080525830 87.620 27 Sr 0.33936842562030 0.49938623817578 0.63718080525830 87.620 28 Sr 0.66063157437970 0.99938623817578 0.86281919474170 87.620 29 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 31 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.072647006519798 0.000000000000000 0.000000000000000 b 0.000000000000000 11.306587920000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): 1 O 0.37477097290866 0.17350495006114 0.00175682463600 15.999 > 1 2 O 0.87477097290866 0.17350495006114 0.00175682463600 15.999 > 1 3 O 0.37477097290866 0.67350495006114 0.00175682463600 15.999 > 1 4 O 0.87477097290866 0.67350495006114 0.00175682463600 15.999 > 1 5 O 0.12522902709134 0.42350495006114 0.49824317536400 15.999 > 5 6 O 0.62522902709134 0.42350495006114 0.49824317536400 15.999 > 5 7 O 0.12522902709134 0.92350495006114 0.49824317536400 15.999 > 5 8 O 0.62522902709134 0.92350495006114 0.49824317536400 15.999 > 5 9 O 0.12522902709134 0.32649504993886 0.99824317536400 15.999 > 9 10 O 0.62522902709134 0.32649504993886 0.99824317536400 15.999 > 9 11 O 0.12522902709134 0.82649504993886 0.99824317536400 15.999 > 9 12 O 0.62522902709134 0.82649504993886 0.99824317536400 15.999 > 9 13 O 0.37477097290866 0.07649504993886 0.50175682463600 15.999 > 13 14 O 0.87477097290866 0.07649504993886 0.50175682463600 15.999 > 13 15 O 0.37477097290866 0.57649504993886 0.50175682463600 15.999 > 13 16 O 0.87477097290866 0.57649504993886 0.50175682463600 15.999 > 13 17 O 0.49005850118910 0.11968149451763 0.87846275270098 15.999 > 17 18 O 0.99005850118910 0.11968149451763 0.87846275270098 15.999 > 17 19 O 0.49005850118910 0.61968149451763 0.87846275270098 15.999 > 17 20 O 0.99005850118910 0.61968149451763 0.87846275270098 15.999 > 17 21 O 0.00994149881090 0.36968149451763 0.62153724729902 15.999 > 21 22 O 0.50994149881090 0.36968149451763 0.62153724729902 15.999 > 21 23 O 0.00994149881090 0.86968149451763 0.62153724729902 15.999 > 21 24 O 0.50994149881090 0.86968149451763 0.62153724729902 15.999 > 21 25 O 0.00994149881090 0.38031850548237 0.12153724729902 15.999 > 25 26 O 0.50994149881090 0.38031850548237 0.12153724729902 15.999 > 25 27 O 0.00994149881090 0.88031850548237 0.12153724729902 15.999 > 25 28 O 0.50994149881090 0.88031850548237 0.12153724729902 15.999 > 25 29 O 0.49005850118910 0.13031850548237 0.37846275270098 15.999 > 29 30 O 0.99005850118910 0.13031850548237 0.37846275270098 15.999 > 29 31 O 0.49005850118910 0.63031850548237 0.37846275270098 15.999 > 29 32 O 0.99005850118910 0.63031850548237 0.37846275270098 15.999 > 29 33 O 0.19719501327115 0.09923439070269 0.92651887363269 15.999 > 33 34 O 0.69719501327115 0.09923439070269 0.92651887363269 15.999 > 33 35 O 0.19719501327115 0.59923439070269 0.92651887363269 15.999 > 33 36 O 0.69719501327115 0.59923439070269 0.92651887363269 15.999 > 33 37 O 0.30280498672885 0.34923439070269 0.57348112636731 15.999 > 37 38 O 0.80280498672885 0.34923439070269 0.57348112636731 15.999 > 37 39 O 0.30280498672885 0.84923439070269 0.57348112636731 15.999 > 37 40 O 0.80280498672885 0.84923439070269 0.57348112636731 15.999 > 37 41 O 0.30280498672885 0.40076560929731 0.07348112636731 15.999 > 41 42 O 0.80280498672885 0.40076560929731 0.07348112636731 15.999 > 41 43 O 0.30280498672885 0.90076560929731 0.07348112636731 15.999 > 41 44 O 0.80280498672885 0.90076560929731 0.07348112636731 15.999 > 41 45 O 0.19719501327115 0.15076560929731 0.42651887363269 15.999 > 45 46 O 0.69719501327115 0.15076560929731 0.42651887363269 15.999 > 45 47 O 0.19719501327115 0.65076560929731 0.42651887363269 15.999 > 45 48 O 0.69719501327115 0.65076560929731 0.42651887363269 15.999 > 45 49 O 0.27720354121255 0.16571962694216 0.16515148761507 15.999 > 49 50 O 0.77720354121255 0.16571962694216 0.16515148761507 15.999 > 49 51 O 0.27720354121255 0.66571962694216 0.16515148761507 15.999 > 49 52 O 0.77720354121255 0.66571962694216 0.16515148761507 15.999 > 49 53 O 0.22279645878745 0.41571962694216 0.33484851238493 15.999 > 53 54 O 0.72279645878745 0.41571962694216 0.33484851238493 15.999 > 53 55 O 0.22279645878745 0.91571962694216 0.33484851238493 15.999 > 53 56 O 0.72279645878745 0.91571962694216 0.33484851238493 15.999 > 53 57 O 0.22279645878745 0.33428037305784 0.83484851238493 15.999 > 57 58 O 0.72279645878745 0.33428037305784 0.83484851238493 15.999 > 57 59 O 0.22279645878745 0.83428037305784 0.83484851238493 15.999 > 57 60 O 0.72279645878745 0.83428037305784 0.83484851238493 15.999 > 57 61 O 0.27720354121255 0.08428037305784 0.66515148761507 15.999 > 61 62 O 0.77720354121255 0.08428037305784 0.66515148761507 15.999 > 61 63 O 0.27720354121255 0.58428037305784 0.66515148761507 15.999 > 61 64 O 0.77720354121255 0.58428037305784 0.66515148761507 15.999 > 61 65 O 0.05413162958098 0.14497870798908 0.14231406304955 15.999 > 65 66 O 0.55413162958098 0.14497870798908 0.14231406304955 15.999 > 65 67 O 0.05413162958098 0.64497870798907 0.14231406304955 15.999 > 65 68 O 0.55413162958098 0.64497870798907 0.14231406304955 15.999 > 65 69 O 0.44586837041902 0.39497870798907 0.35768593695045 15.999 > 69 70 O 0.94586837041902 0.39497870798907 0.35768593695045 15.999 > 69 71 O 0.44586837041902 0.89497870798907 0.35768593695045 15.999 > 69 72 O 0.94586837041902 0.89497870798907 0.35768593695045 15.999 > 69 73 O 0.44586837041902 0.35502129201093 0.85768593695045 15.999 > 73 74 O 0.94586837041902 0.35502129201093 0.85768593695045 15.999 > 73 75 O 0.44586837041902 0.85502129201093 0.85768593695045 15.999 > 73 76 O 0.94586837041902 0.85502129201093 0.85768593695045 15.999 > 73 77 O 0.05413162958098 0.10502129201092 0.64231406304955 15.999 > 77 78 O 0.55413162958098 0.10502129201092 0.64231406304955 15.999 > 77 79 O 0.05413162958098 0.60502129201093 0.64231406304955 15.999 > 77 80 O 0.55413162958098 0.60502129201093 0.64231406304955 15.999 > 77 81 Sr 0.42206407312014 0.03438401950864 0.18171730784285 87.620 > 81 82 Sr 0.92206407312015 0.03438401950864 0.18171730784285 87.620 > 81 83 Sr 0.42206407312014 0.53438401950864 0.18171730784285 87.620 > 81 84 Sr 0.92206407312015 0.53438401950864 0.18171730784285 87.620 > 81 85 Sr 0.07793592687985 0.28438401950864 0.31828269215715 87.620 > 85 86 Sr 0.57793592687985 0.28438401950864 0.31828269215715 87.620 > 85 87 Sr 0.07793592687985 0.78438401950864 0.31828269215715 87.620 > 85 88 Sr 0.57793592687985 0.78438401950864 0.31828269215715 87.620 > 85 89 Sr 0.07793592687985 0.46561598049136 0.81828269215715 87.620 > 89 90 Sr 0.57793592687985 0.46561598049136 0.81828269215715 87.620 > 89 91 Sr 0.07793592687985 0.96561598049136 0.81828269215715 87.620 > 89 92 Sr 0.57793592687985 0.96561598049136 0.81828269215715 87.620 > 89 93 Sr 0.42206407312014 0.21561598049136 0.68171730784285 87.620 > 93 94 Sr 0.92206407312015 0.21561598049136 0.68171730784285 87.620 > 93 95 Sr 0.42206407312014 0.71561598049136 0.68171730784285 87.620 > 93 96 Sr 0.92206407312015 0.71561598049136 0.68171730784285 87.620 > 93 97 Sr 0.33031578718985 0.25030688091211 0.36281919474170 87.620 > 97 98 Sr 0.83031578718985 0.25030688091211 0.36281919474170 87.620 > 97 99 Sr 0.33031578718985 0.75030688091211 0.36281919474170 87.620 > 97 100 Sr 0.83031578718985 0.75030688091211 0.36281919474170 87.620 > 97 101 Sr 0.16968421281015 0.00030688091211 0.13718080525830 87.620 > 101 102 Sr 0.66968421281015 0.00030688091211 0.13718080525830 87.620 > 101 103 Sr 0.16968421281015 0.50030688091211 0.13718080525830 87.620 > 101 104 Sr 0.66968421281015 0.50030688091211 0.13718080525830 87.620 > 101 105 Sr 0.16968421281015 0.24969311908789 0.63718080525830 87.620 > 105 106 Sr 0.66968421281015 0.24969311908789 0.63718080525830 87.620 > 105 107 Sr 0.16968421281015 0.74969311908789 0.63718080525830 87.620 > 105 108 Sr 0.66968421281015 0.74969311908789 0.63718080525830 87.620 > 105 109 Sr 0.33031578718985 0.49969311908789 0.86281919474170 87.620 > 109 110 Sr 0.83031578718985 0.49969311908789 0.86281919474170 87.620 > 109 111 Sr 0.33031578718985 0.99969311908789 0.86281919474170 87.620 > 109 112 Sr 0.83031578718985 0.99969311908789 0.86281919474170 87.620 > 109 113 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 113 114 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 113 115 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 113 116 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 113 117 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 117 118 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 117 119 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 117 120 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 117 121 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 121 122 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 121 123 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 121 124 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 121 125 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 125 126 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 125 127 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 125 128 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1511031 0.0000000 0.0210871 0.0000000 4.0893510 0.0000000 0.0210834 0.0000000 4.0620429 -------------------------- Born effective charges -------------------------- 1 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 2 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 3 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 4 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 5 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 6 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 7 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 8 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 9 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 10 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 11 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 12 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 13 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 14 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 15 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 16 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 17 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 18 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 19 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 20 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 21 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 22 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 23 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 24 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 25 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 26 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 27 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 28 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 29 U 5.5844615 -0.9591620 0.0332347 -0.1421493 5.0187486 0.1446946 0.0873514 -0.2212512 5.3637689 30 U 5.5844615 0.9591620 0.0332347 0.1421493 5.0187486 -0.1446946 0.0873514 0.2212512 5.3637689 31 U 5.6418586 0.5900954 0.2739939 -0.1630678 5.6447911 0.1424977 0.1738975 0.2478813 4.8969938 32 U 5.6418586 -0.5900954 0.2739939 0.1630678 5.6447911 -0.1424977 0.1738975 -0.2478813 4.8969938 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 121, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yx) 0.00000003 (yx) 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 04:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:37:08]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.036323503259899 0.000000000000000 0.000000000000000 b 0.000000000000000 5.653293960000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): 1 O 0.74954194581732 0.34700990012228 0.00175682463600 15.999 2 O 0.25045805418268 0.84700990012228 0.49824317536400 15.999 3 O 0.25045805418268 0.65299009987772 0.99824317536400 15.999 4 O 0.74954194581732 0.15299009987772 0.50175682463600 15.999 5 O 0.98011700237821 0.23936298903527 0.87846275270098 15.999 6 O 0.01988299762179 0.73936298903527 0.62153724729902 15.999 7 O 0.01988299762179 0.76063701096473 0.12153724729902 15.999 8 O 0.98011700237821 0.26063701096473 0.37846275270098 15.999 9 O 0.39439002654231 0.19846878140538 0.92651887363269 15.999 10 O 0.60560997345769 0.69846878140538 0.57348112636731 15.999 11 O 0.60560997345769 0.80153121859462 0.07348112636731 15.999 12 O 0.39439002654231 0.30153121859462 0.42651887363269 15.999 13 O 0.55440708242510 0.33143925388431 0.16515148761507 15.999 14 O 0.44559291757490 0.83143925388431 0.33484851238493 15.999 15 O 0.44559291757490 0.66856074611569 0.83484851238493 15.999 16 O 0.55440708242510 0.16856074611569 0.66515148761507 15.999 17 O 0.10826325916196 0.28995741597815 0.14231406304955 15.999 18 O 0.89173674083804 0.78995741597815 0.35768593695045 15.999 19 O 0.89173674083804 0.71004258402185 0.85768593695045 15.999 20 O 0.10826325916196 0.21004258402185 0.64231406304955 15.999 21 Sr 0.84412814624029 0.06876803901728 0.18171730784285 87.620 22 Sr 0.15587185375971 0.56876803901728 0.31828269215715 87.620 23 Sr 0.15587185375971 0.93123196098272 0.81828269215715 87.620 24 Sr 0.84412814624029 0.43123196098272 0.68171730784285 87.620 25 Sr 0.66063157437970 0.50061376182422 0.36281919474170 87.620 26 Sr 0.33936842562030 0.00061376182422 0.13718080525830 87.620 27 Sr 0.33936842562030 0.49938623817578 0.63718080525830 87.620 28 Sr 0.66063157437970 0.99938623817578 0.86281919474170 87.620 29 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 30 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 31 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 32 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.072647006519798 0.000000000000000 0.000000000000000 b 0.000000000000000 11.306587920000000 0.000000000000000 c -3.732012263761617 0.000000000000000 11.264466284123753 Atomic positions (fractional): 1 O 0.37477097290866 0.17350495006114 0.00175682463600 15.999 > 1 2 O 0.87477097290866 0.17350495006114 0.00175682463600 15.999 > 1 3 O 0.37477097290866 0.67350495006114 0.00175682463600 15.999 > 1 4 O 0.87477097290866 0.67350495006114 0.00175682463600 15.999 > 1 5 O 0.12522902709134 0.42350495006114 0.49824317536400 15.999 > 5 6 O 0.62522902709134 0.42350495006114 0.49824317536400 15.999 > 5 7 O 0.12522902709134 0.92350495006114 0.49824317536400 15.999 > 5 8 O 0.62522902709134 0.92350495006114 0.49824317536400 15.999 > 5 9 O 0.12522902709134 0.32649504993886 0.99824317536400 15.999 > 9 10 O 0.62522902709134 0.32649504993886 0.99824317536400 15.999 > 9 11 O 0.12522902709134 0.82649504993886 0.99824317536400 15.999 > 9 12 O 0.62522902709134 0.82649504993886 0.99824317536400 15.999 > 9 13 O 0.37477097290866 0.07649504993886 0.50175682463600 15.999 > 13 14 O 0.87477097290866 0.07649504993886 0.50175682463600 15.999 > 13 15 O 0.37477097290866 0.57649504993886 0.50175682463600 15.999 > 13 16 O 0.87477097290866 0.57649504993886 0.50175682463600 15.999 > 13 17 O 0.49005850118910 0.11968149451763 0.87846275270098 15.999 > 17 18 O 0.99005850118910 0.11968149451763 0.87846275270098 15.999 > 17 19 O 0.49005850118910 0.61968149451763 0.87846275270098 15.999 > 17 20 O 0.99005850118910 0.61968149451763 0.87846275270098 15.999 > 17 21 O 0.00994149881090 0.36968149451763 0.62153724729902 15.999 > 21 22 O 0.50994149881090 0.36968149451763 0.62153724729902 15.999 > 21 23 O 0.00994149881090 0.86968149451763 0.62153724729902 15.999 > 21 24 O 0.50994149881090 0.86968149451763 0.62153724729902 15.999 > 21 25 O 0.00994149881090 0.38031850548237 0.12153724729902 15.999 > 25 26 O 0.50994149881090 0.38031850548237 0.12153724729902 15.999 > 25 27 O 0.00994149881090 0.88031850548237 0.12153724729902 15.999 > 25 28 O 0.50994149881090 0.88031850548237 0.12153724729902 15.999 > 25 29 O 0.49005850118910 0.13031850548237 0.37846275270098 15.999 > 29 30 O 0.99005850118910 0.13031850548237 0.37846275270098 15.999 > 29 31 O 0.49005850118910 0.63031850548237 0.37846275270098 15.999 > 29 32 O 0.99005850118910 0.63031850548237 0.37846275270098 15.999 > 29 33 O 0.19719501327115 0.09923439070269 0.92651887363269 15.999 > 33 34 O 0.69719501327115 0.09923439070269 0.92651887363269 15.999 > 33 35 O 0.19719501327115 0.59923439070269 0.92651887363269 15.999 > 33 36 O 0.69719501327115 0.59923439070269 0.92651887363269 15.999 > 33 37 O 0.30280498672885 0.34923439070269 0.57348112636731 15.999 > 37 38 O 0.80280498672885 0.34923439070269 0.57348112636731 15.999 > 37 39 O 0.30280498672885 0.84923439070269 0.57348112636731 15.999 > 37 40 O 0.80280498672885 0.84923439070269 0.57348112636731 15.999 > 37 41 O 0.30280498672885 0.40076560929731 0.07348112636731 15.999 > 41 42 O 0.80280498672885 0.40076560929731 0.07348112636731 15.999 > 41 43 O 0.30280498672885 0.90076560929731 0.07348112636731 15.999 > 41 44 O 0.80280498672885 0.90076560929731 0.07348112636731 15.999 > 41 45 O 0.19719501327115 0.15076560929731 0.42651887363269 15.999 > 45 46 O 0.69719501327115 0.15076560929731 0.42651887363269 15.999 > 45 47 O 0.19719501327115 0.65076560929731 0.42651887363269 15.999 > 45 48 O 0.69719501327115 0.65076560929731 0.42651887363269 15.999 > 45 49 O 0.27720354121255 0.16571962694216 0.16515148761507 15.999 > 49 50 O 0.77720354121255 0.16571962694216 0.16515148761507 15.999 > 49 51 O 0.27720354121255 0.66571962694216 0.16515148761507 15.999 > 49 52 O 0.77720354121255 0.66571962694216 0.16515148761507 15.999 > 49 53 O 0.22279645878745 0.41571962694216 0.33484851238493 15.999 > 53 54 O 0.72279645878745 0.41571962694216 0.33484851238493 15.999 > 53 55 O 0.22279645878745 0.91571962694216 0.33484851238493 15.999 > 53 56 O 0.72279645878745 0.91571962694216 0.33484851238493 15.999 > 53 57 O 0.22279645878745 0.33428037305784 0.83484851238493 15.999 > 57 58 O 0.72279645878745 0.33428037305784 0.83484851238493 15.999 > 57 59 O 0.22279645878745 0.83428037305784 0.83484851238493 15.999 > 57 60 O 0.72279645878745 0.83428037305784 0.83484851238493 15.999 > 57 61 O 0.27720354121255 0.08428037305784 0.66515148761507 15.999 > 61 62 O 0.77720354121255 0.08428037305784 0.66515148761507 15.999 > 61 63 O 0.27720354121255 0.58428037305784 0.66515148761507 15.999 > 61 64 O 0.77720354121255 0.58428037305784 0.66515148761507 15.999 > 61 65 O 0.05413162958098 0.14497870798908 0.14231406304955 15.999 > 65 66 O 0.55413162958098 0.14497870798908 0.14231406304955 15.999 > 65 67 O 0.05413162958098 0.64497870798907 0.14231406304955 15.999 > 65 68 O 0.55413162958098 0.64497870798907 0.14231406304955 15.999 > 65 69 O 0.44586837041902 0.39497870798907 0.35768593695045 15.999 > 69 70 O 0.94586837041902 0.39497870798907 0.35768593695045 15.999 > 69 71 O 0.44586837041902 0.89497870798907 0.35768593695045 15.999 > 69 72 O 0.94586837041902 0.89497870798907 0.35768593695045 15.999 > 69 73 O 0.44586837041902 0.35502129201093 0.85768593695045 15.999 > 73 74 O 0.94586837041902 0.35502129201093 0.85768593695045 15.999 > 73 75 O 0.44586837041902 0.85502129201093 0.85768593695045 15.999 > 73 76 O 0.94586837041902 0.85502129201093 0.85768593695045 15.999 > 73 77 O 0.05413162958098 0.10502129201092 0.64231406304955 15.999 > 77 78 O 0.55413162958098 0.10502129201092 0.64231406304955 15.999 > 77 79 O 0.05413162958098 0.60502129201093 0.64231406304955 15.999 > 77 80 O 0.55413162958098 0.60502129201093 0.64231406304955 15.999 > 77 81 Sr 0.42206407312014 0.03438401950864 0.18171730784285 87.620 > 81 82 Sr 0.92206407312015 0.03438401950864 0.18171730784285 87.620 > 81 83 Sr 0.42206407312014 0.53438401950864 0.18171730784285 87.620 > 81 84 Sr 0.92206407312015 0.53438401950864 0.18171730784285 87.620 > 81 85 Sr 0.07793592687985 0.28438401950864 0.31828269215715 87.620 > 85 86 Sr 0.57793592687985 0.28438401950864 0.31828269215715 87.620 > 85 87 Sr 0.07793592687985 0.78438401950864 0.31828269215715 87.620 > 85 88 Sr 0.57793592687985 0.78438401950864 0.31828269215715 87.620 > 85 89 Sr 0.07793592687985 0.46561598049136 0.81828269215715 87.620 > 89 90 Sr 0.57793592687985 0.46561598049136 0.81828269215715 87.620 > 89 91 Sr 0.07793592687985 0.96561598049136 0.81828269215715 87.620 > 89 92 Sr 0.57793592687985 0.96561598049136 0.81828269215715 87.620 > 89 93 Sr 0.42206407312014 0.21561598049136 0.68171730784285 87.620 > 93 94 Sr 0.92206407312015 0.21561598049136 0.68171730784285 87.620 > 93 95 Sr 0.42206407312014 0.71561598049136 0.68171730784285 87.620 > 93 96 Sr 0.92206407312015 0.71561598049136 0.68171730784285 87.620 > 93 97 Sr 0.33031578718985 0.25030688091211 0.36281919474170 87.620 > 97 98 Sr 0.83031578718985 0.25030688091211 0.36281919474170 87.620 > 97 99 Sr 0.33031578718985 0.75030688091211 0.36281919474170 87.620 > 97 100 Sr 0.83031578718985 0.75030688091211 0.36281919474170 87.620 > 97 101 Sr 0.16968421281015 0.00030688091211 0.13718080525830 87.620 > 101 102 Sr 0.66968421281015 0.00030688091211 0.13718080525830 87.620 > 101 103 Sr 0.16968421281015 0.50030688091211 0.13718080525830 87.620 > 101 104 Sr 0.66968421281015 0.50030688091211 0.13718080525830 87.620 > 101 105 Sr 0.16968421281015 0.24969311908789 0.63718080525830 87.620 > 105 106 Sr 0.66968421281015 0.24969311908789 0.63718080525830 87.620 > 105 107 Sr 0.16968421281015 0.74969311908789 0.63718080525830 87.620 > 105 108 Sr 0.66968421281015 0.74969311908789 0.63718080525830 87.620 > 105 109 Sr 0.33031578718985 0.49969311908789 0.86281919474170 87.620 > 109 110 Sr 0.83031578718985 0.49969311908789 0.86281919474170 87.620 > 109 111 Sr 0.33031578718985 0.99969311908789 0.86281919474170 87.620 > 109 112 Sr 0.83031578718985 0.99969311908789 0.86281919474170 87.620 > 109 113 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 113 114 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 113 115 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 113 116 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 113 117 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 117 118 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 117 119 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 117 120 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 117 121 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 121 122 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 121 123 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 121 124 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 121 125 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 125 126 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 125 127 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 125 128 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1511031 0.0000000 0.0210871 0.0000000 4.0893510 0.0000000 0.0210834 0.0000000 4.0620429 -------------------------- Born effective charges -------------------------- 1 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 2 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 3 O -4.5152835 0.0166188 -0.0453180 -0.0142643 -1.5915731 0.0173103 -0.0198922 0.0303548 -0.9793047 4 O -4.5152835 -0.0166188 -0.0453180 0.0142643 -1.5915731 -0.0173103 -0.0198922 -0.0303548 -0.9793047 5 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 6 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 7 O -1.3969350 0.3626160 0.2322601 0.3010976 -2.4084097 -1.0735560 0.2095445 -0.9663142 -2.4164683 8 O -1.3969350 -0.3626160 0.2322601 -0.3010976 -2.4084097 1.0735560 0.2095445 0.9663142 -2.4164683 9 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 10 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 11 O -1.5371606 -0.6791730 -0.2883551 -0.5822009 -2.9557633 -0.9896844 -0.2408276 -0.8643324 -1.4456064 12 O -1.5371606 0.6791730 -0.2883551 0.5822009 -2.9557633 0.9896844 -0.2408276 0.8643324 -1.4456064 13 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 14 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 15 O -1.3828754 -0.1451594 0.1332936 -0.0837646 -1.8720774 0.7569686 0.0969558 0.6522978 -3.2630386 16 O -1.3828754 0.1451594 0.1332936 0.0837646 -1.8720774 -0.7569686 0.0969558 -0.6522978 -3.2630386 17 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 18 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 19 O -1.4774313 0.2740098 -0.2160767 0.2414663 -2.0951236 1.0763393 -0.1885813 0.7811872 -2.4883504 20 O -1.4774313 -0.2740098 -0.2160767 -0.2414663 -2.0951236 -1.0763393 -0.1885813 -0.7811872 -2.4883504 21 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 22 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 23 Sr 2.3168387 -0.0556823 0.1103164 -0.0321672 2.6949260 -0.0108931 0.0140155 -0.0739816 2.9565775 24 Sr 2.3168387 0.0556823 0.1103164 0.0321672 2.6949260 0.0108931 0.0140155 0.0739816 2.9565775 25 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 26 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 27 Sr 2.3796871 -0.0797795 -0.0797346 -0.0442874 2.8962512 -0.0380930 -0.0018392 0.2419850 2.5058094 28 Sr 2.3796871 0.0797795 -0.0797346 0.0442874 2.8962512 0.0380930 -0.0018392 -0.2419850 2.5058094 29 U 5.5844615 -0.9591620 0.0332347 -0.1421493 5.0187486 0.1446946 0.0873514 -0.2212512 5.3637689 30 U 5.5844615 0.9591620 0.0332347 0.1421493 5.0187486 -0.1446946 0.0873514 0.2212512 5.3637689 31 U 5.6418586 0.5900954 0.2739939 -0.1630678 5.6447911 0.1424977 0.1738975 0.2478813 4.8969938 32 U 5.6418586 -0.5900954 0.2739939 0.1630678 5.6447911 -0.1424977 0.1738975 -0.2478813 4.8969938 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- 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 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 291, Lambda: 0.11 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 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 1.431 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 10.100 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.775 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.337 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.685 ( 0.000 0.000 0.000) 0.000 14.825 ( 0.000 0.000 0.000) 0.000 15.689 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.633 ( 0.000 0.000 0.000) 0.000 17.678 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 20.766 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 0.000) 0.000 21.120 ( 0.000 0.000 0.000) 0.000 21.963 ( 0.000 0.000 0.000) 0.000 21.964 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 18.511 0.000 17.383) 25.393 0.491 ( 25.653 0.000 5.785) 26.298 0.915 ( 47.267 0.000 7.812) 47.908 1.605 ( 18.839 0.000 -8.053) 20.489 1.749 ( 4.178 0.000 -10.715) 11.500 1.959 ( -2.476 0.000 -0.238) 2.487 2.039 ( -0.947 0.000 2.803) 2.959 2.376 ( 1.654 0.000 7.910) 8.081 2.524 ( -6.825 0.000 -2.931) 7.428 2.530 ( -3.627 0.000 -2.439) 4.371 2.652 ( -10.415 0.000 4.076) 11.184 2.862 ( -1.228 0.000 2.261) 2.573 2.865 ( -0.696 0.000 -1.201) 1.388 3.314 ( -4.304 0.000 -1.093) 4.441 3.443 ( -7.007 0.000 3.713) 7.930 3.481 ( -0.681 0.000 -3.175) 3.247 3.519 ( 0.926 0.000 -11.726) 11.762 3.683 ( 4.381 0.000 -3.476) 5.593 3.790 ( -0.682 0.000 -8.064) 8.092 3.803 ( 4.115 0.000 -2.594) 4.864 3.818 ( -0.592 0.000 0.577) 0.826 3.930 ( 2.548 0.000 2.458) 3.540 4.020 ( 0.540 0.000 3.616) 3.656 4.027 ( -1.963 0.000 -2.838) 3.451 4.135 ( 3.427 0.000 3.057) 4.592 4.142 ( -1.627 0.000 12.184) 12.292 4.315 ( 2.661 0.000 0.214) 2.670 4.388 ( -1.254 0.000 -2.706) 2.983 4.494 ( -4.850 0.000 1.152) 4.985 4.546 ( -9.594 0.000 -7.573) 12.223 4.858 ( -4.392 0.000 -1.474) 4.633 5.091 ( -1.310 0.000 6.393) 6.525 5.205 ( -0.023 0.000 4.382) 4.382 5.205 ( -2.727 0.000 -0.109) 2.729 5.303 ( 2.351 0.000 4.308) 4.908 5.510 ( -1.607 0.000 1.468) 2.177 5.564 ( -1.478 0.000 -5.019) 5.232 5.750 ( -4.174 0.000 0.132) 4.176 5.896 ( 1.375 0.000 3.376) 3.645 5.942 ( -1.703 0.000 3.161) 3.591 6.303 ( -9.783 0.000 0.375) 9.790 6.466 ( -4.227 0.000 -0.549) 4.263 6.730 ( -11.571 0.000 3.732) 12.158 6.745 ( -5.512 0.000 0.106) 5.513 6.768 ( 2.067 0.000 -0.755) 2.200 6.894 ( 4.052 0.000 -6.459) 7.625 6.907 ( -6.340 0.000 2.882) 6.964 7.128 ( 1.565 0.000 -3.450) 3.789 7.327 ( 2.353 0.000 1.526) 2.804 7.361 ( 5.778 0.000 0.073) 5.779 7.544 ( 2.533 0.000 -2.681) 3.688 7.601 ( 12.447 0.000 0.985) 12.486 7.621 ( 13.664 0.000 -2.668) 13.922 7.678 ( -5.493 0.000 1.239) 5.631 8.049 ( 11.360 0.000 0.585) 11.375 8.292 ( 6.243 0.000 0.341) 6.252 8.322 ( 7.100 0.000 -1.385) 7.233 8.901 ( 10.319 0.000 -30.218) 31.932 9.016 ( 1.157 0.000 -1.323) 1.757 9.342 ( 4.003 0.000 0.563) 4.042 9.527 ( -1.453 0.000 1.916) 2.405 9.675 ( 4.111 0.000 -3.485) 5.389 9.908 ( 0.287 0.000 1.132) 1.168 10.082 ( -1.778 0.000 -0.718) 1.917 10.329 ( -0.652 0.000 -0.428) 0.780 10.398 ( -4.343 0.000 3.185) 5.385 10.505 ( 2.841 0.000 -3.687) 4.655 10.651 ( 0.675 0.000 5.611) 5.652 10.934 ( -3.570 0.000 -2.256) 4.223 11.249 ( -2.101 0.000 7.068) 7.373 11.295 ( -3.392 0.000 4.019) 5.259 11.484 ( 0.024 0.000 -9.931) 9.931 11.541 ( -5.304 0.000 4.312) 6.835 11.713 ( -5.825 0.000 -5.982) 8.350 11.775 ( 0.973 0.000 8.663) 8.718 11.791 ( -5.070 0.000 10.345) 11.521 13.110 ( 3.807 0.000 6.376) 7.425 13.777 ( -5.635 0.000 -2.027) 5.988 13.908 ( -7.912 0.000 8.943) 11.941 14.028 ( -16.412 0.000 -3.164) 16.715 14.418 ( 3.485 0.000 -25.209) 25.449 14.680 ( 2.931 0.000 -3.026) 4.213 14.865 ( 17.304 0.000 -0.901) 17.327 15.635 ( 1.054 0.000 7.972) 8.042 15.949 ( 10.137 0.000 -0.107) 10.138 16.459 ( 6.645 0.000 -6.325) 9.174 16.586 ( -4.026 0.000 5.613) 6.908 17.032 ( 25.418 0.000 -94.432) 97.793 18.282 ( 9.380 0.000 10.637) 14.182 18.398 ( -10.351 0.000 28.042) 29.891 20.162 ( -28.514 0.000 63.320) 69.444 20.628 ( -13.589 0.000 -3.788) 14.107 21.127 ( 9.373 0.000 1.983) 9.581 21.186 ( 7.082 0.000 -0.330) 7.090 21.938 ( -2.760 0.000 -0.254) 2.772 21.946 ( -2.110 0.000 0.258) 2.125 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 17.333 0.000 17.114) 24.358 0.979 ( 25.504 0.000 5.020) 25.993 1.617 ( 13.919 0.000 -8.609) 16.366 1.790 ( 5.127 0.000 -7.749) 9.291 1.868 ( 27.668 0.000 -1.832) 27.729 1.937 ( 2.539 0.000 -0.196) 2.547 2.235 ( 15.111 0.000 5.950) 16.240 2.350 ( -7.220 0.000 0.777) 7.262 2.366 ( -5.005 0.000 -1.352) 5.185 2.393 ( -9.081 0.000 -3.949) 9.903 2.479 ( -10.807 0.000 6.934) 12.840 2.849 ( -0.310 0.000 -0.222) 0.381 2.890 ( 2.528 0.000 6.123) 6.624 3.220 ( -5.677 0.000 -1.018) 5.768 3.332 ( -8.375 0.000 5.654) 10.105 3.444 ( -1.706 0.000 -9.817) 9.964 3.449 ( -0.524 0.000 -4.118) 4.151 3.712 ( -2.127 0.000 -7.203) 7.510 3.764 ( 5.229 0.000 -1.562) 5.457 3.795 ( -2.237 0.000 -1.398) 2.638 3.844 ( 0.857 0.000 -1.436) 1.672 3.916 ( -8.639 0.000 -4.838) 9.901 3.997 ( 1.429 0.000 3.833) 4.090 4.064 ( 1.102 0.000 1.385) 1.770 4.169 ( -1.844 0.000 7.157) 7.391 4.217 ( 3.158 0.000 4.935) 5.859 4.252 ( -7.715 0.000 -0.728) 7.749 4.285 ( -6.900 0.000 -7.243) 10.003 4.451 ( 5.949 0.000 3.462) 6.883 4.475 ( 0.267 0.000 -2.668) 2.681 4.767 ( -4.592 0.000 -0.035) 4.592 4.999 ( -8.239 0.000 -2.248) 8.540 5.211 ( -2.058 0.000 7.370) 7.652 5.232 ( 1.421 0.000 6.981) 7.124 5.403 ( 4.208 0.000 5.040) 6.566 5.471 ( -3.134 0.000 0.003) 3.134 5.481 ( -2.314 0.000 -10.638) 10.886 5.684 ( -2.395 0.000 -2.465) 3.437 5.900 ( -1.708 0.000 -0.981) 1.970 5.940 ( -1.285 0.000 5.973) 6.110 6.153 ( -7.382 0.000 1.096) 7.463 6.371 ( -4.751 0.000 0.745) 4.810 6.500 ( -10.205 0.000 -1.247) 10.281 6.673 ( -2.177 0.000 -0.062) 2.178 6.841 ( 3.224 0.000 1.020) 3.382 6.874 ( -0.441 0.000 1.800) 1.854 6.959 ( 5.554 0.000 -4.839) 7.366 7.147 ( 2.336 0.000 -1.566) 2.812 7.369 ( -3.251 0.000 -0.981) 3.396 7.391 ( 2.539 0.000 1.498) 2.948 7.591 ( -2.645 0.000 -1.254) 2.927 7.630 ( 7.365 0.000 0.401) 7.376 7.736 ( 1.638 0.000 -0.734) 1.795 7.820 ( 8.670 0.000 2.668) 9.071 8.346 ( 17.068 0.000 0.526) 17.076 8.438 ( 8.936 0.000 0.863) 8.978 8.447 ( 7.599 0.000 0.178) 7.601 8.902 ( 3.805 0.000 -12.647) 13.207 9.028 ( 1.372 0.000 -2.628) 2.965 9.445 ( 6.663 0.000 0.541) 6.685 9.504 ( -2.477 0.000 2.393) 3.445 9.754 ( 6.848 0.000 -3.951) 7.906 9.917 ( 0.046 0.000 0.430) 0.432 10.030 ( -3.357 0.000 -0.912) 3.478 10.321 ( 0.520 0.000 -0.832) 0.981 10.346 ( -3.110 0.000 2.689) 4.111 10.513 ( 0.324 0.000 -4.219) 4.231 10.714 ( 2.687 0.000 5.386) 6.019 10.846 ( -3.815 0.000 -2.071) 4.341 11.225 ( -6.106 0.000 -0.735) 6.150 11.242 ( -3.766 0.000 6.201) 7.255 11.381 ( -3.301 0.000 -7.059) 7.793 11.544 ( -0.004 0.000 6.180) 6.180 11.567 ( -2.256 0.000 -11.326) 11.548 11.761 ( -4.861 0.000 9.047) 10.270 11.805 ( -2.042 0.000 4.828) 5.242 13.229 ( 4.538 0.000 6.045) 7.559 13.470 ( -20.215 0.000 -4.437) 20.696 13.821 ( -8.114 0.000 12.400) 14.819 13.901 ( -1.330 0.000 -1.170) 1.771 14.329 ( 0.916 0.000 -17.970) 17.993 14.654 ( -0.697 0.000 -4.270) 4.326 15.231 ( 22.374 0.000 2.180) 22.480 15.753 ( 3.444 0.000 5.247) 6.277 16.115 ( 7.763 0.000 8.855) 11.776 16.506 ( -8.295 0.000 1.261) 8.390 16.538 ( 7.111 0.000 -13.195) 14.989 16.891 ( 5.811 0.000 -43.647) 44.032 18.385 ( -4.415 0.000 12.583) 13.335 18.621 ( 18.716 0.000 17.761) 25.802 20.024 ( -15.045 0.000 24.382) 28.650 20.265 ( -22.221 0.000 -8.898) 23.937 21.331 ( 11.671 0.000 1.047) 11.718 21.349 ( 10.927 0.000 -0.221) 10.929 21.863 ( -5.445 0.000 -0.302) 5.454 21.885 ( -5.110 0.000 0.232) 5.115 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 13.291 0.000 15.172) 20.170 1.444 ( 23.055 0.000 3.878) 23.379 1.546 ( -5.422 0.000 -14.448) 15.432 1.760 ( -7.221 0.000 -2.071) 7.512 1.958 ( 2.546 0.000 -2.464) 3.543 2.078 ( -11.027 0.000 -1.997) 11.206 2.233 ( -5.173 0.000 -0.853) 5.243 2.238 ( -4.051 0.000 -0.165) 4.055 2.268 ( -1.743 0.000 2.656) 3.177 2.581 ( 22.170 0.000 2.640) 22.327 2.732 ( 24.328 0.000 0.985) 24.348 2.883 ( 6.011 0.000 5.012) 7.827 2.985 ( 2.518 0.000 5.087) 5.676 3.074 ( -11.863 0.000 -0.165) 11.865 3.187 ( -13.536 0.000 0.712) 13.555 3.336 ( -4.066 0.000 -6.973) 8.072 3.399 ( -2.235 0.000 -3.962) 4.549 3.638 ( -9.527 0.000 -3.008) 9.991 3.648 ( -1.196 0.000 -3.398) 3.602 3.718 ( -3.838 0.000 -0.662) 3.895 3.850 ( 2.286 0.000 1.459) 2.712 3.874 ( 0.788 0.000 -1.673) 1.849 3.979 ( -2.903 0.000 2.167) 3.623 4.082 ( 1.215 0.000 -0.736) 1.421 4.170 ( -2.109 0.000 4.966) 5.395 4.180 ( -0.569 0.000 -4.982) 5.014 4.217 ( 0.866 0.000 1.434) 1.675 4.308 ( 3.478 0.000 5.350) 6.381 4.423 ( -3.048 0.000 -5.538) 6.321 4.620 ( 9.156 0.000 4.188) 10.069 4.713 ( -1.598 0.000 0.694) 1.742 4.820 ( -9.283 0.000 -3.817) 10.037 5.249 ( 0.770 0.000 10.138) 10.167 5.294 ( 1.335 0.000 4.097) 4.309 5.353 ( -3.173 0.000 -11.250) 11.689 5.412 ( -2.358 0.000 -1.365) 2.725 5.495 ( 2.358 0.000 1.285) 2.685 5.643 ( -0.859 0.000 -1.006) 1.322 5.854 ( -1.712 0.000 -0.837) 1.906 5.973 ( 1.256 0.000 5.422) 5.565 6.047 ( -4.547 0.000 -1.642) 4.835 6.327 ( -1.007 0.000 0.520) 1.133 6.374 ( -3.173 0.000 -1.024) 3.334 6.651 ( -0.468 0.000 -0.144) 0.490 6.884 ( 0.275 0.000 0.605) 0.665 6.898 ( 1.927 0.000 1.068) 2.203 7.007 ( 2.050 0.000 -2.468) 3.209 7.195 ( 3.452 0.000 -0.237) 3.460 7.290 ( -4.197 0.000 -0.767) 4.266 7.411 ( -0.394 0.000 0.763) 0.859 7.573 ( 0.389 0.000 -0.382) 0.545 7.737 ( -0.160 0.000 -0.699) 0.717 7.741 ( 3.606 0.000 0.540) 3.646 7.926 ( 2.299 0.000 1.095) 2.546 8.489 ( 2.583 0.000 -0.772) 2.696 8.579 ( 4.753 0.000 1.068) 4.871 8.644 ( 8.019 0.000 2.255) 8.330 8.888 ( 0.563 0.000 -4.521) 4.556 9.027 ( 0.167 0.000 -2.113) 2.119 9.477 ( -1.358 0.000 1.001) 1.687 9.553 ( 4.080 0.000 0.177) 4.084 9.848 ( 5.239 0.000 -2.645) 5.869 9.907 ( -1.950 0.000 1.251) 2.317 9.967 ( -2.436 0.000 -0.438) 2.475 10.326 ( -0.655 0.000 1.351) 1.502 10.337 ( 1.182 0.000 -0.608) 1.329 10.475 ( -1.355 0.000 -2.517) 2.858 10.797 ( -0.968 0.000 -0.365) 1.035 10.813 ( 4.862 0.000 4.246) 6.455 11.057 ( -9.028 0.000 -2.423) 9.347 11.216 ( -1.631 0.000 2.121) 2.676 11.310 ( -1.497 0.000 -2.024) 2.518 11.526 ( 1.834 0.000 -5.567) 5.862 11.593 ( 1.692 0.000 3.099) 3.531 11.730 ( -2.725 0.000 4.484) 5.248 11.771 ( -2.637 0.000 0.625) 2.710 13.171 ( -8.956 0.000 -1.996) 9.175 13.315 ( 1.971 0.000 1.768) 2.647 13.779 ( -3.184 0.000 7.101) 7.782 13.878 ( -0.647 0.000 -0.643) 0.912 14.254 ( 0.012 0.000 -8.005) 8.005 14.640 ( 0.623 0.000 -1.514) 1.637 15.628 ( 16.752 0.000 4.266) 17.287 15.783 ( -0.382 0.000 0.548) 0.668 16.294 ( -11.433 0.000 -5.221) 12.569 16.320 ( 5.522 0.000 12.855) 13.991 16.531 ( 1.347 0.000 -13.349) 13.417 16.783 ( 0.947 0.000 -11.605) 11.643 18.387 ( -1.032 0.000 3.835) 3.971 19.106 ( 21.417 0.000 16.475) 27.021 19.778 ( -22.638 0.000 -12.542) 25.880 19.935 ( -5.020 0.000 7.118) 8.710 21.528 ( 8.925 0.000 0.275) 8.929 21.546 ( 10.036 0.000 0.024) 10.036 21.749 ( -6.552 0.000 -0.167) 6.554 21.768 ( -7.447 0.000 0.017) 7.447 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 24.281 0.000) 24.281 0.552 ( 0.000 27.635 0.000) 27.635 1.008 ( 0.000 50.183 0.000) 50.183 1.498 ( 0.000 5.958 0.000) 5.958 1.894 ( 0.000 14.094 0.000) 14.094 1.962 ( 0.000 -1.648 0.000) 1.648 2.130 ( 0.000 5.225 0.000) 5.225 2.379 ( 0.000 2.234 0.000) 2.234 2.451 ( 0.000 2.912 0.000) 2.912 2.640 ( 0.000 0.987 0.000) 0.987 2.672 ( 0.000 -3.527 0.000) 3.527 2.890 ( 0.000 1.795 0.000) 1.795 2.891 ( 0.000 0.627 0.000) 0.627 3.223 ( 0.000 -12.145 0.000) 12.145 3.413 ( 0.000 -8.230 0.000) 8.230 3.443 ( 0.000 -2.619 0.000) 2.619 3.529 ( 0.000 -4.275 0.000) 4.275 3.593 ( 0.000 -3.491 0.000) 3.491 3.677 ( 0.000 -7.546 0.000) 7.546 3.755 ( 0.000 -2.663 0.000) 2.663 3.835 ( 0.000 1.705 0.000) 1.705 3.932 ( 0.000 -5.601 0.000) 5.601 3.998 ( 0.000 1.499 0.000) 1.499 4.008 ( 0.000 2.767 0.000) 2.767 4.069 ( 0.000 -3.109 0.000) 3.109 4.195 ( 0.000 5.868 0.000) 5.868 4.205 ( 0.000 -5.066 0.000) 5.066 4.409 ( 0.000 0.338 0.000) 0.338 4.631 ( 0.000 5.974 0.000) 5.974 4.726 ( 0.000 4.655 0.000) 4.655 5.013 ( 0.000 -4.069 0.000) 4.069 5.091 ( 0.000 -4.677 0.000) 4.677 5.188 ( 0.000 -4.575 0.000) 4.575 5.386 ( 0.000 5.979 0.000) 5.979 5.525 ( 0.000 -0.383 0.000) 0.383 5.574 ( 0.000 -1.103 0.000) 1.103 5.671 ( 0.000 -8.023 0.000) 8.023 5.779 ( 0.000 -1.093 0.000) 1.093 5.905 ( 0.000 3.314 0.000) 3.314 5.947 ( 0.000 -0.323 0.000) 0.323 6.423 ( 0.000 -0.968 0.000) 0.968 6.487 ( 0.000 -2.868 0.000) 2.868 6.606 ( 0.000 -2.331 0.000) 2.331 6.754 ( 0.000 -4.458 0.000) 4.458 6.792 ( 0.000 -9.860 0.000) 9.860 6.937 ( 0.000 6.342 0.000) 6.342 7.062 ( 0.000 -4.272 0.000) 4.272 7.110 ( 0.000 -3.109 0.000) 3.109 7.152 ( 0.000 5.684 0.000) 5.684 7.213 ( 0.000 -4.654 0.000) 4.654 7.422 ( 0.000 5.411 0.000) 5.411 7.461 ( 0.000 4.616 0.000) 4.616 7.473 ( 0.000 -4.581 0.000) 4.581 7.692 ( 0.000 -1.264 0.000) 1.264 8.131 ( 0.000 11.416 0.000) 11.416 8.150 ( 0.000 12.386 0.000) 12.386 8.319 ( 0.000 8.090 0.000) 8.090 8.437 ( 0.000 5.388 0.000) 5.388 9.032 ( 0.000 2.384 0.000) 2.384 9.322 ( 0.000 -1.718 0.000) 1.718 9.503 ( 0.000 1.890 0.000) 1.890 9.544 ( 0.000 -0.787 0.000) 0.787 9.769 ( 0.000 9.653 0.000) 9.653 10.045 ( 0.000 -4.489 0.000) 4.489 10.362 ( 0.000 1.875 0.000) 1.875 10.461 ( 0.000 -1.314 0.000) 1.314 10.550 ( 0.000 3.628 0.000) 3.628 10.606 ( 0.000 -1.579 0.000) 1.579 11.152 ( 0.000 -5.038 0.000) 5.038 11.166 ( 0.000 -2.793 0.000) 2.793 11.288 ( 0.000 1.817 0.000) 1.817 11.551 ( 0.000 3.691 0.000) 3.691 11.660 ( 0.000 -1.636 0.000) 1.636 11.736 ( 0.000 -3.986 0.000) 3.986 11.788 ( 0.000 3.423 0.000) 3.423 12.371 ( 0.000 -3.491 0.000) 3.491 13.134 ( 0.000 7.601 0.000) 7.601 13.806 ( 0.000 -1.506 0.000) 1.506 13.982 ( 0.000 1.687 0.000) 1.687 14.187 ( 0.000 -7.598 0.000) 7.598 14.383 ( 0.000 4.929 0.000) 4.929 14.460 ( 0.000 -8.776 0.000) 8.776 14.736 ( 0.000 2.181 0.000) 2.181 14.888 ( 0.000 4.932 0.000) 4.932 15.631 ( 0.000 -4.824 0.000) 4.824 15.783 ( 0.000 0.712 0.000) 0.712 16.775 ( 0.000 12.996 0.000) 12.996 17.389 ( 0.000 7.999 0.000) 7.999 17.614 ( 0.000 -6.136 0.000) 6.136 19.266 ( 0.000 11.517 0.000) 11.517 19.627 ( 0.000 -11.675 0.000) 11.675 21.029 ( 0.000 0.194 0.000) 0.194 21.131 ( 0.000 1.051 0.000) 1.051 21.825 ( 0.000 -9.799 0.000) 9.799 21.971 ( 0.000 0.793 0.000) 0.793 21.993 ( 0.000 0.427 0.000) 0.427 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 10.944 17.755 12.398) 24.264 0.720 ( 15.910 20.356 3.264) 26.042 1.344 ( 30.097 35.137 4.741) 46.507 1.629 ( 13.783 3.570 -7.016) 15.873 1.900 ( 5.241 9.596 -13.876) 17.666 1.966 ( -1.353 4.197 5.894) 7.361 2.094 ( -0.163 5.431 0.741) 5.483 2.378 ( -0.862 0.676 4.336) 4.472 2.497 ( -1.751 0.548 -4.558) 4.914 2.568 ( -5.808 0.076 5.288) 7.854 2.634 ( -5.720 0.907 0.437) 5.808 2.844 ( -1.614 -1.048 0.069) 1.926 2.924 ( 0.529 3.150 -1.319) 3.456 3.174 ( -4.061 -10.427 0.188) 11.191 3.402 ( -0.644 -7.271 -0.865) 7.351 3.465 ( 2.395 -4.264 -5.604) 7.438 3.472 ( -6.749 -1.951 3.937) 8.054 3.644 ( 4.056 -5.529 -2.279) 7.226 3.695 ( 2.136 -7.220 -2.371) 7.894 3.739 ( 0.014 -3.577 -1.381) 3.834 3.814 ( -2.680 -0.803 -1.810) 3.332 3.942 ( 1.989 -3.658 1.232) 4.342 3.989 ( -0.762 3.446 0.431) 3.556 4.034 ( -0.002 -0.345 1.434) 1.475 4.092 ( 1.146 -4.072 3.005) 5.189 4.162 ( -1.362 1.727 0.018) 2.200 4.232 ( 2.789 -4.990 -0.597) 5.748 4.396 ( -1.962 0.003 -2.257) 2.991 4.531 ( -7.903 7.473 -3.069) 11.301 4.689 ( -3.013 7.634 -0.692) 8.236 4.947 ( -9.378 -1.823 3.222) 10.082 5.075 ( -4.386 -3.706 2.821) 6.397 5.211 ( 1.926 -2.831 0.733) 3.502 5.313 ( -8.052 9.580 -1.040) 12.557 5.342 ( -4.257 5.388 -0.222) 6.870 5.518 ( -0.872 -0.741 -1.577) 1.948 5.558 ( -1.848 0.570 -0.891) 2.129 5.749 ( -6.290 0.481 -2.150) 6.664 5.862 ( 1.689 -2.858 3.524) 4.841 5.950 ( -1.612 0.510 3.904) 4.254 6.279 ( -11.300 -2.074 0.574) 11.503 6.466 ( -5.415 0.233 0.718) 5.467 6.624 ( -1.921 -5.891 2.837) 6.814 6.692 ( -1.578 -5.886 -1.667) 6.318 6.804 ( -8.335 1.966 -0.799) 8.601 6.850 ( 3.381 -2.141 -2.354) 4.643 6.994 ( -3.943 3.123 -1.741) 5.323 7.111 ( 4.933 -1.926 1.869) 5.616 7.275 ( -0.077 -3.729 -0.303) 3.742 7.395 ( 6.763 0.795 -4.782) 8.321 7.481 ( 5.150 -2.178 2.111) 5.976 7.515 ( 10.477 -3.451 -0.004) 11.031 7.659 ( 12.096 1.949 -3.346) 12.701 7.718 ( 1.848 0.944 1.898) 2.812 8.176 ( 7.315 10.950 -0.042) 13.169 8.329 ( 7.890 4.794 -0.490) 9.246 8.393 ( 8.890 7.195 -0.666) 11.457 8.703 ( 21.130 -7.098 -7.181) 23.418 9.038 ( 1.137 2.375 -1.148) 2.872 9.324 ( 2.623 -0.819 -0.994) 2.922 9.541 ( 0.664 0.453 0.830) 1.155 9.618 ( 6.163 -6.579 2.822) 9.446 9.796 ( 2.450 7.660 2.545) 8.435 10.037 ( -1.873 -4.368 2.626) 5.430 10.336 ( -2.609 0.586 0.281) 2.689 10.442 ( -1.992 1.221 -0.813) 2.474 10.524 ( 0.030 1.560 -4.351) 4.623 10.642 ( 1.463 -0.323 5.272) 5.480 11.070 ( -5.545 2.041 -2.443) 6.394 11.200 ( 0.563 -5.255 0.497) 5.308 11.273 ( -2.951 1.823 5.389) 6.409 11.540 ( -2.067 2.592 -9.118) 9.702 11.560 ( -5.906 -0.397 -1.213) 6.043 11.714 ( -3.428 1.282 -5.536) 6.636 11.747 ( -2.241 -1.693 2.714) 3.906 12.029 ( -18.520 11.935 8.651) 23.670 13.201 ( 4.436 8.280 6.903) 11.657 13.780 ( -8.098 -2.181 -3.458) 9.071 13.923 ( -6.470 1.852 4.915) 8.333 14.040 ( -7.771 2.018 1.276) 8.129 14.444 ( 3.550 1.058 -17.376) 17.767 14.546 ( 4.957 -8.539 -3.368) 10.432 14.821 ( 8.136 -2.794 -4.680) 9.793 15.355 ( 27.359 -38.540 1.884) 47.301 15.609 ( 1.965 -4.746 7.901) 9.424 15.964 ( 12.399 0.527 3.048) 12.779 16.796 ( 2.510 13.524 -0.227) 13.757 17.446 ( 12.347 15.161 -29.414) 35.320 17.769 ( 7.239 -14.980 28.759) 33.224 18.971 ( -12.199 15.971 -17.755) 26.817 19.855 ( 2.486 -13.099 28.427) 31.399 20.890 ( -21.464 3.421 -3.485) 22.012 21.176 ( 5.343 1.716 -0.113) 5.613 21.445 ( -14.987 12.735 -1.387) 19.716 21.943 ( -2.995 0.753 -0.157) 3.092 21.958 ( -1.908 1.039 0.155) 2.178 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 13.815 10.171 14.942) 22.750 1.084 ( 20.835 10.564 5.150) 23.921 1.710 ( 3.500 6.054 -9.950) 12.162 1.868 ( 5.282 7.708 -10.291) 13.900 1.976 ( 1.613 5.171 0.367) 5.430 1.996 ( 26.070 10.819 3.205) 28.407 2.259 ( -2.302 -0.479 3.975) 4.619 2.333 ( 12.297 5.349 0.416) 13.417 2.371 ( -9.474 2.410 -4.848) 10.912 2.468 ( -7.853 3.345 1.622) 8.688 2.534 ( -3.323 5.037 2.937) 6.711 2.836 ( 0.241 -1.070 0.911) 1.425 2.927 ( 1.001 2.641 3.936) 4.845 3.126 ( -2.027 -6.883 1.285) 7.289 3.342 ( -6.637 -2.362 -0.136) 7.046 3.391 ( -1.836 -5.371 -2.056) 6.037 3.454 ( -0.804 0.812 -1.888) 2.206 3.624 ( -0.983 -8.620 -8.818) 12.371 3.715 ( -5.794 -4.359 -0.291) 7.256 3.742 ( 2.885 -5.454 -0.883) 6.233 3.795 ( 3.318 -2.741 2.951) 5.219 3.922 ( -7.703 0.709 -2.512) 8.133 3.978 ( -3.249 -2.016 -0.190) 3.828 4.025 ( 2.428 -2.597 -1.576) 3.889 4.112 ( -0.649 -6.582 0.868) 6.670 4.177 ( 2.032 -1.197 2.873) 3.717 4.238 ( -2.376 -3.920 -2.394) 5.171 4.317 ( -4.441 2.919 0.082) 5.315 4.438 ( 0.891 7.878 0.490) 7.944 4.647 ( -1.238 7.195 -0.521) 7.319 4.812 ( -4.982 2.120 0.768) 5.468 5.001 ( -6.346 1.072 2.812) 7.023 5.243 ( -1.582 0.173 0.734) 1.752 5.263 ( -0.622 1.909 6.060) 6.384 5.329 ( 1.138 -3.986 3.762) 5.598 5.474 ( -1.169 -0.037 -7.530) 7.620 5.495 ( -4.531 1.658 -0.724) 4.879 5.656 ( -2.087 -2.231 -4.045) 5.069 5.886 ( 0.097 -1.664 -0.279) 1.690 5.949 ( -1.487 0.877 6.188) 6.425 6.110 ( -7.375 -3.968 1.547) 8.516 6.309 ( -10.075 -1.370 0.436) 10.177 6.581 ( -3.894 1.197 0.955) 4.184 6.660 ( -3.671 0.696 -0.372) 3.755 6.730 ( 3.929 -5.731 -0.286) 6.955 6.931 ( 4.117 -1.243 -1.494) 4.553 6.955 ( 0.836 1.533 -3.099) 3.557 7.171 ( -3.306 -9.671 -0.706) 10.245 7.245 ( 3.569 7.525 0.234) 8.332 7.487 ( 3.627 -0.046 0.375) 3.647 7.563 ( 3.449 1.271 -0.007) 3.676 7.659 ( 4.011 -5.186 -1.274) 6.679 7.692 ( 1.588 2.923 0.428) 3.354 7.862 ( 5.707 2.145 1.797) 6.356 8.389 ( 14.163 5.035 0.565) 15.042 8.467 ( 8.103 5.434 -0.604) 9.775 8.563 ( 9.684 8.483 0.539) 12.885 8.875 ( 5.046 -0.809 -7.856) 9.372 9.064 ( 2.876 2.766 -2.921) 4.945 9.414 ( 6.519 -1.655 1.039) 6.805 9.546 ( -0.766 2.497 0.998) 2.796 9.722 ( 5.830 -6.535 -2.287) 9.052 9.865 ( 3.102 3.071 1.150) 4.514 10.005 ( -3.638 -3.285 3.344) 5.934 10.288 ( -2.569 -1.237 0.729) 2.943 10.403 ( -1.533 2.668 0.161) 3.081 10.497 ( -0.815 -0.881 -4.380) 4.541 10.716 ( 3.549 0.660 5.084) 6.235 10.948 ( -5.626 6.112 -2.652) 8.720 11.176 ( -3.233 -3.835 -3.166) 5.932 11.248 ( -4.483 0.962 8.522) 9.677 11.376 ( -4.957 -1.038 -7.446) 9.006 11.521 ( -1.225 -1.866 -1.461) 2.668 11.601 ( -1.981 2.204 -6.960) 7.565 11.753 ( -2.484 -0.468 7.406) 7.825 11.867 ( -7.502 4.635 5.722) 10.512 13.305 ( -2.093 5.519 4.247) 7.271 13.506 ( -10.187 4.659 -1.837) 11.351 13.852 ( -6.417 3.880 8.218) 11.125 14.014 ( 0.414 9.462 2.839) 9.887 14.365 ( 0.222 3.814 -16.638) 17.071 14.567 ( -0.838 -7.848 -2.419) 8.255 14.970 ( 12.758 -17.629 -1.405) 21.807 15.592 ( 4.410 -40.229 -9.684) 41.613 15.713 ( 1.953 -7.454 5.113) 9.248 16.246 ( 15.571 5.166 10.868) 19.679 16.855 ( 4.040 14.171 -0.918) 14.764 17.431 ( 5.325 27.362 -30.420) 41.260 18.055 ( 2.988 -16.900 21.826) 27.765 18.823 ( 5.187 5.649 0.316) 7.676 19.967 ( -3.811 -5.217 17.385) 18.546 20.334 ( -31.286 5.950 -7.076) 32.623 21.320 ( 10.245 0.800 0.021) 10.276 21.439 ( 6.966 4.805 -0.195) 8.465 21.869 ( -5.293 0.821 -0.083) 5.357 21.904 ( -4.358 1.628 -0.004) 4.652 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 10.746 4.751 11.999) 16.793 1.464 ( 14.778 3.834 2.708) 15.506 1.658 ( 0.833 8.355 -8.434) 11.901 1.814 ( -4.982 4.980 -3.217) 7.744 1.973 ( -3.724 2.138 -3.720) 5.682 2.142 ( -3.788 3.876 4.265) 6.897 2.177 ( -3.084 -0.786 -7.120) 7.799 2.251 ( -3.668 0.152 4.057) 5.472 2.305 ( -5.435 3.216 -1.261) 6.440 2.646 ( 13.975 4.670 0.403) 14.740 2.804 ( 20.917 6.493 -0.727) 21.914 2.902 ( 9.637 2.264 6.331) 11.751 3.000 ( 1.984 0.779 6.469) 6.812 3.077 ( -4.828 1.516 -0.820) 5.126 3.240 ( -5.426 0.963 2.541) 6.069 3.302 ( -6.967 -2.630 -5.366) 9.179 3.376 ( -7.226 0.400 -4.490) 8.517 3.573 ( 1.455 -6.964 -3.712) 8.025 3.593 ( -5.409 -6.196 2.136) 8.498 3.674 ( -9.626 -1.178 -5.069) 10.943 3.804 ( 3.058 -5.455 -0.911) 6.319 3.861 ( -1.082 -1.585 1.000) 2.165 3.929 ( -0.560 -4.142 4.193) 5.920 4.055 ( 0.972 -2.803 -0.490) 3.007 4.106 ( -0.828 -5.024 -3.758) 6.329 4.153 ( -2.091 -0.212 -0.776) 2.240 4.244 ( 2.280 0.685 2.416) 3.392 4.308 ( 0.828 -0.530 3.254) 3.399 4.443 ( -1.448 3.008 -3.189) 4.617 4.672 ( 3.629 2.671 2.051) 4.951 4.780 ( 0.597 5.700 0.900) 5.801 4.874 ( -7.651 5.653 -1.113) 9.577 5.260 ( 1.596 -0.465 6.437) 6.648 5.287 ( -0.515 -0.556 3.665) 3.742 5.347 ( -1.500 -6.737 -5.602) 8.889 5.392 ( -1.341 -1.125 -1.693) 2.435 5.434 ( -1.140 1.441 -2.045) 2.750 5.619 ( -0.509 -1.952 -1.396) 2.454 5.874 ( -0.615 1.253 -0.212) 1.412 5.979 ( 1.091 0.286 4.816) 4.946 6.034 ( -2.623 -2.207 -0.651) 3.489 6.170 ( -4.649 -5.843 -0.127) 7.468 6.519 ( -2.008 6.327 -0.352) 6.648 6.639 ( -0.080 -1.753 -0.011) 1.755 6.810 ( 3.678 -5.705 1.133) 6.882 6.952 ( 0.423 3.525 0.129) 3.553 6.965 ( 0.012 -5.698 -2.697) 6.304 7.098 ( -2.052 -6.127 -0.995) 6.538 7.324 ( 3.008 6.540 0.759) 7.238 7.511 ( -0.594 4.104 0.620) 4.193 7.598 ( 0.835 2.570 0.032) 2.702 7.670 ( 0.432 -3.852 -1.522) 4.164 7.760 ( 3.038 -0.099 0.382) 3.063 7.919 ( 0.508 -0.868 1.077) 1.474 8.563 ( 3.470 7.336 -0.769) 8.152 8.607 ( 6.924 3.653 1.713) 8.013 8.723 ( 5.809 7.296 1.374) 9.427 8.863 ( -0.989 -0.561 -3.746) 3.915 9.087 ( 1.237 4.391 -2.270) 5.096 9.514 ( 0.710 2.093 2.848) 3.605 9.542 ( 2.291 0.005 -1.605) 2.798 9.793 ( 2.630 -6.434 -1.503) 7.112 9.912 ( 2.644 2.716 -1.521) 4.084 9.956 ( -3.586 -1.655 2.998) 4.958 10.272 ( 0.294 -2.518 0.459) 2.576 10.394 ( -0.258 2.000 2.130) 2.933 10.437 ( -2.345 -2.120 -4.195) 5.252 10.824 ( 5.053 0.941 3.378) 6.150 10.867 ( -1.948 5.762 -0.902) 6.149 11.048 ( -7.056 -0.628 -2.187) 7.414 11.228 ( -1.504 1.164 2.879) 3.450 11.290 ( -1.817 -2.363 -1.904) 3.537 11.522 ( 2.941 -0.256 -6.503) 7.141 11.582 ( 1.520 -1.621 3.089) 3.805 11.688 ( -7.321 -2.168 3.253) 8.299 11.826 ( -0.495 3.446 1.433) 3.765 13.131 ( -7.890 -0.590 -1.505) 8.054 13.527 ( 3.281 17.375 1.003) 17.711 13.799 ( -3.769 2.478 5.857) 7.392 14.038 ( 0.198 14.537 2.335) 14.725 14.282 ( -0.338 2.793 -8.626) 9.074 14.541 ( -0.169 -8.450 -1.386) 8.565 15.229 ( 14.011 -29.503 4.761) 33.006 15.482 ( -8.673 -36.420 -8.944) 38.492 15.734 ( -0.440 -7.154 0.932) 7.227 16.585 ( 11.125 5.674 11.371) 16.889 16.910 ( 2.298 15.390 -0.953) 15.590 17.286 ( -2.973 40.530 -18.345) 44.588 18.109 ( -2.718 -20.518 6.827) 21.794 19.159 ( 23.742 -5.540 12.122) 27.227 19.741 ( -28.401 4.180 -11.898) 31.075 19.975 ( -2.383 1.288 6.291) 6.850 21.505 ( 9.161 -0.684 -0.055) 9.186 21.570 ( 5.456 0.546 0.098) 5.484 21.765 ( -5.084 2.069 -0.009) 5.489 21.809 ( -5.414 3.248 -0.129) 6.315 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 21.477 0.000) 21.477 1.075 ( 0.000 25.185 0.000) 25.185 1.636 ( 0.000 7.485 0.000) 7.485 1.915 ( 0.000 25.259 0.000) 25.259 1.999 ( 0.000 21.704 0.000) 21.704 2.204 ( 0.000 12.454 0.000) 12.454 2.278 ( 0.000 11.811 0.000) 11.811 2.440 ( 0.000 3.274 0.000) 3.274 2.486 ( 0.000 -0.735 0.000) 0.735 2.594 ( 0.000 -5.563 0.000) 5.563 2.646 ( 0.000 2.361 0.000) 2.361 2.859 ( 0.000 -2.745 0.000) 2.745 2.952 ( 0.000 1.161 0.000) 1.161 2.975 ( 0.000 -8.647 0.000) 8.647 3.220 ( 0.000 -11.426 0.000) 11.426 3.355 ( 0.000 -9.481 0.000) 9.481 3.363 ( 0.000 -6.492 0.000) 6.492 3.494 ( 0.000 -10.686 0.000) 10.686 3.496 ( 0.000 -5.986 0.000) 5.986 3.755 ( 0.000 0.244 0.000) 0.244 3.837 ( 0.000 -2.419 0.000) 2.419 3.893 ( 0.000 1.955 0.000) 1.955 3.936 ( 0.000 -7.934 0.000) 7.934 3.994 ( 0.000 -0.041 0.000) 0.041 4.128 ( 0.000 6.756 0.000) 6.756 4.143 ( 0.000 -1.637 0.000) 1.637 4.281 ( 0.000 3.058 0.000) 3.058 4.403 ( 0.000 -0.082 0.000) 0.082 4.723 ( 0.000 0.762 0.000) 0.762 4.796 ( 0.000 1.200 0.000) 1.200 4.947 ( 0.000 -0.244 0.000) 0.244 5.036 ( 0.000 -1.755 0.000) 1.755 5.073 ( 0.000 -5.856 0.000) 5.856 5.440 ( 0.000 -10.428 0.000) 10.428 5.490 ( 0.000 4.844 0.000) 4.844 5.496 ( 0.000 -4.010 0.000) 4.010 5.595 ( 0.000 -0.155 0.000) 0.155 5.746 ( 0.000 -2.322 0.000) 2.322 5.933 ( 0.000 -1.475 0.000) 1.475 5.954 ( 0.000 1.567 0.000) 1.567 6.377 ( 0.000 -3.785 0.000) 3.785 6.423 ( 0.000 -1.507 0.000) 1.507 6.605 ( 0.000 -0.533 0.000) 0.533 6.656 ( 0.000 -4.370 0.000) 4.370 6.662 ( 0.000 -2.591 0.000) 2.591 6.895 ( 0.000 -10.382 0.000) 10.382 6.991 ( 0.000 -4.745 0.000) 4.745 7.087 ( 0.000 5.377 0.000) 5.377 7.102 ( 0.000 -6.513 0.000) 6.513 7.284 ( 0.000 6.458 0.000) 6.458 7.419 ( 0.000 0.669 0.000) 0.669 7.512 ( 0.000 3.465 0.000) 3.465 7.581 ( 0.000 5.613 0.000) 5.613 7.728 ( 0.000 3.651 0.000) 3.651 8.363 ( 0.000 11.247 0.000) 11.247 8.404 ( 0.000 12.889 0.000) 12.889 8.512 ( 0.000 10.271 0.000) 10.271 8.573 ( 0.000 7.795 0.000) 7.795 9.108 ( 0.000 5.357 0.000) 5.357 9.318 ( 0.000 1.388 0.000) 1.388 9.494 ( 0.000 -3.653 0.000) 3.653 9.559 ( 0.000 2.920 0.000) 2.920 9.953 ( 0.000 7.961 0.000) 7.961 9.988 ( 0.000 -0.083 0.000) 0.083 10.396 ( 0.000 1.633 0.000) 1.633 10.426 ( 0.000 -2.111 0.000) 2.111 10.578 ( 0.000 -0.926 0.000) 0.926 10.666 ( 0.000 7.525 0.000) 7.525 11.043 ( 0.000 -5.834 0.000) 5.834 11.122 ( 0.000 -2.074 0.000) 2.074 11.313 ( 0.000 0.916 0.000) 0.916 11.566 ( 0.000 -6.610 0.000) 6.610 11.619 ( 0.000 3.118 0.000) 3.118 11.623 ( 0.000 -7.126 0.000) 7.126 11.855 ( 0.000 1.488 0.000) 1.488 12.276 ( 0.000 -5.966 0.000) 5.966 13.281 ( 0.000 4.894 0.000) 4.894 13.670 ( 0.000 -11.448 0.000) 11.448 13.997 ( 0.000 0.147 0.000) 0.147 14.109 ( 0.000 -0.650 0.000) 0.650 14.392 ( 0.000 3.905 0.000) 3.905 14.527 ( 0.000 7.713 0.000) 7.713 14.767 ( 0.000 1.450 0.000) 1.450 14.994 ( 0.000 5.659 0.000) 5.659 15.587 ( 0.000 3.714 0.000) 3.714 15.768 ( 0.000 -2.109 0.000) 2.109 17.036 ( 0.000 8.612 0.000) 8.612 17.496 ( 0.000 -1.993 0.000) 1.993 17.583 ( 0.000 10.564 0.000) 10.564 19.282 ( 0.000 -23.264 0.000) 23.264 19.571 ( 0.000 18.643 0.000) 18.643 21.018 ( 0.000 -1.875 0.000) 1.875 21.154 ( 0.000 1.081 0.000) 1.081 21.597 ( 0.000 -12.438 0.000) 12.438 21.990 ( 0.000 1.032 0.000) 1.032 21.993 ( 0.000 -0.194 0.000) 0.194 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 5.988 19.036 6.892) 21.112 1.175 ( 9.029 24.007 2.263) 25.748 1.730 ( 9.324 5.989 -2.696) 11.405 1.971 ( 3.718 4.391 -3.680) 6.830 2.068 ( 9.397 32.891 0.810) 34.217 2.155 ( -4.744 7.272 -1.538) 8.817 2.314 ( 7.045 17.000 -1.482) 18.462 2.400 ( -3.208 2.121 -1.140) 4.011 2.517 ( 0.602 1.982 -2.032) 2.902 2.587 ( -0.075 -2.097 1.965) 2.875 2.628 ( -3.351 1.431 1.376) 3.895 2.817 ( -3.494 -2.116 1.558) 4.372 2.952 ( -0.955 -7.292 -1.735) 7.556 2.987 ( 1.634 0.630 1.594) 2.368 3.209 ( -0.794 -12.271 0.226) 12.299 3.336 ( -2.838 -7.762 -2.211) 8.555 3.364 ( 0.362 -6.746 1.355) 6.890 3.506 ( 3.590 -10.497 0.502) 11.105 3.546 ( 1.985 -5.767 1.924) 6.396 3.689 ( -4.681 -2.554 -0.352) 5.344 3.815 ( -4.943 1.338 -3.311) 6.098 3.887 ( 2.381 -3.440 1.147) 4.338 3.942 ( -0.344 -7.408 1.998) 7.680 4.017 ( 0.337 -1.384 -1.195) 1.859 4.080 ( -2.490 4.539 -0.270) 5.184 4.164 ( 1.028 -0.399 -4.549) 4.681 4.237 ( -1.846 3.609 -1.946) 4.497 4.403 ( -1.381 0.878 0.623) 1.751 4.687 ( -3.176 5.799 2.101) 6.937 4.782 ( -2.728 1.086 1.922) 3.510 4.865 ( -6.369 -3.394 -2.097) 7.515 5.038 ( -0.680 -1.780 2.559) 3.190 5.094 ( 0.207 -5.316 2.268) 5.783 5.353 ( -5.492 -5.826 -4.050) 8.973 5.443 ( -4.273 3.711 2.284) 6.103 5.489 ( 0.576 -0.140 -3.478) 3.528 5.580 ( -1.771 1.032 1.544) 2.566 5.756 ( -4.650 -2.060 -1.898) 5.429 5.827 ( -3.395 0.634 1.769) 3.880 5.949 ( -1.490 -1.076 2.666) 3.238 6.248 ( -10.663 -0.047 0.021) 10.663 6.457 ( -1.021 -2.056 1.836) 2.939 6.560 ( -4.456 -1.014 0.897) 4.657 6.592 ( -3.866 -2.432 -1.237) 4.732 6.717 ( 6.339 -7.006 -4.233) 10.353 6.860 ( -3.530 -3.872 -0.573) 5.271 6.945 ( -3.976 -3.149 1.447) 5.275 7.113 ( 0.378 -0.440 -0.157) 0.601 7.181 ( 7.980 -3.101 2.618) 8.952 7.375 ( 7.689 -1.142 -5.358) 9.441 7.473 ( 4.544 1.758 3.991) 6.298 7.551 ( 5.416 4.841 -2.476) 7.675 7.696 ( 7.266 2.049 -3.080) 8.154 7.764 ( 5.357 3.333 2.335) 6.727 8.397 ( 4.464 10.436 -0.185) 11.352 8.502 ( 6.825 11.461 0.759) 13.360 8.569 ( 8.191 9.621 -0.253) 12.638 8.709 ( 13.061 4.647 0.508) 13.873 9.114 ( 0.599 5.355 -0.867) 5.458 9.326 ( 2.056 1.160 -0.971) 2.552 9.517 ( 2.407 -2.958 -0.149) 3.817 9.580 ( 1.458 0.867 1.469) 2.244 9.945 ( -1.221 4.653 0.342) 4.823 9.990 ( -0.909 2.147 3.928) 4.568 10.352 ( -3.894 1.068 0.466) 4.065 10.429 ( -0.472 -1.842 -0.788) 2.058 10.564 ( -1.016 1.290 -1.806) 2.441 10.685 ( 1.974 5.383 1.275) 5.873 11.026 ( -1.901 -4.728 0.505) 5.121 11.130 ( 0.555 -2.570 -0.460) 2.669 11.298 ( -2.717 0.760 3.458) 4.463 11.492 ( -5.657 -5.468 -6.350) 10.111 11.543 ( -4.189 -2.801 -1.296) 5.203 11.690 ( 1.712 -1.433 4.420) 4.952 11.779 ( -4.540 1.867 -8.438) 9.762 12.129 ( -13.575 -0.354 3.545) 14.035 13.353 ( 4.430 4.401 7.935) 10.097 13.634 ( -4.629 -11.278 -3.297) 12.629 13.996 ( 0.452 5.249 0.219) 5.273 14.077 ( -0.902 1.177 -0.871) 1.719 14.413 ( 0.799 2.671 4.552) 5.338 14.563 ( -0.170 4.300 -9.932) 10.825 14.790 ( 7.002 -0.843 -0.694) 7.087 15.035 ( 0.965 0.531 -0.640) 1.274 15.520 ( -2.229 -1.589 3.169) 4.187 15.938 ( 11.703 -3.093 6.661) 13.817 17.053 ( 2.523 7.247 -1.848) 7.893 17.538 ( 3.889 -1.068 2.068) 4.532 17.734 ( 14.292 9.563 4.231) 17.709 19.049 ( -11.990 -10.539 -20.698) 26.139 19.738 ( 4.938 4.544 19.909) 21.009 20.894 ( -15.273 -2.027 -4.405) 16.025 21.206 ( 5.448 1.217 0.667) 5.622 21.489 ( -5.514 -4.127 -2.248) 7.245 21.961 ( -2.804 0.776 -0.407) 2.938 21.979 ( -1.413 1.037 -0.054) 1.754 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 8.945 14.547 11.966) 20.852 1.383 ( 11.965 19.119 3.629) 22.844 1.828 ( 2.532 5.864 -3.541) 7.303 1.986 ( 1.415 5.523 -10.035) 11.541 2.094 ( 0.161 4.703 -2.464) 5.312 2.225 ( -0.115 6.879 3.548) 7.741 2.270 ( -1.838 6.335 -1.742) 6.823 2.439 ( -5.665 4.689 -5.502) 9.185 2.500 ( -5.243 3.441 -0.983) 6.348 2.611 ( 1.747 3.073 2.374) 4.258 2.640 ( 19.269 15.811 -1.045) 24.948 2.807 ( 1.091 -2.099 3.297) 4.057 2.929 ( 0.044 -2.364 1.726) 2.927 3.041 ( 2.980 0.015 3.021) 4.243 3.223 ( 0.856 -10.376 3.301) 10.922 3.239 ( -4.953 -7.238 -1.111) 8.841 3.387 ( 0.791 -6.525 -1.819) 6.820 3.514 ( -3.644 -3.400 -4.719) 6.863 3.581 ( 4.099 -8.572 0.297) 9.507 3.684 ( -4.328 -2.997 -0.252) 5.270 3.697 ( -0.656 -4.227 4.969) 6.556 3.883 ( -5.052 -6.494 0.412) 8.238 3.924 ( -5.611 -0.806 -0.836) 5.730 3.972 ( 0.673 -2.136 -2.561) 3.402 4.083 ( 1.263 2.511 -0.412) 2.841 4.152 ( 1.697 -0.894 -1.440) 2.399 4.192 ( -1.334 0.080 -5.094) 5.267 4.366 ( -3.060 2.224 1.994) 4.276 4.623 ( -4.930 8.756 -2.291) 10.306 4.728 ( -3.220 1.797 0.201) 3.693 4.807 ( 0.567 -1.912 5.180) 5.551 5.044 ( -1.514 -0.002 5.460) 5.666 5.083 ( -1.528 -7.981 -1.855) 8.335 5.261 ( -4.107 -3.803 1.760) 5.868 5.393 ( -3.176 5.220 3.663) 7.124 5.470 ( 0.072 -0.124 -5.319) 5.321 5.528 ( -4.975 1.855 -2.788) 5.997 5.633 ( -1.826 0.150 -5.165) 5.480 5.842 ( 1.008 -2.336 2.136) 3.322 5.937 ( -1.925 -3.199 3.925) 5.417 6.076 ( -7.867 2.386 2.097) 8.484 6.331 ( -11.484 2.203 0.764) 11.719 6.514 ( -0.051 -4.983 3.117) 5.878 6.605 ( 2.889 -4.958 -1.385) 5.903 6.723 ( -4.023 0.311 -3.960) 5.654 6.811 ( 0.215 -9.939 -3.423) 10.514 6.947 ( 2.906 -1.634 1.427) 3.627 7.109 ( -0.428 2.886 -0.721) 3.005 7.336 ( 6.879 -0.281 3.008) 7.513 7.464 ( 5.493 0.046 -2.240) 5.932 7.565 ( 4.349 -2.520 -0.319) 5.037 7.636 ( 3.754 4.883 -1.000) 6.240 7.740 ( 0.901 2.045 -0.317) 2.257 7.886 ( 3.369 0.346 1.466) 3.690 8.531 ( 10.197 8.252 0.288) 13.121 8.638 ( 8.599 10.953 -0.260) 13.927 8.748 ( 10.146 9.665 0.185) 14.014 8.916 ( 7.116 4.909 -2.466) 8.990 9.126 ( 2.550 3.647 -1.826) 4.810 9.397 ( 5.908 -0.021 0.322) 5.917 9.559 ( 1.910 -1.346 -0.581) 2.407 9.623 ( 2.333 -2.997 2.110) 4.344 9.913 ( -2.086 0.531 -0.602) 2.235 10.002 ( -0.723 3.871 4.696) 6.129 10.281 ( -3.857 0.558 0.407) 3.918 10.396 ( -2.776 -2.546 0.159) 3.770 10.526 ( -1.440 3.208 -3.125) 4.704 10.752 ( 4.219 2.903 1.933) 5.474 10.989 ( -2.331 -1.787 0.455) 2.972 11.118 ( -1.625 -2.087 -1.736) 3.164 11.264 ( -4.011 0.146 5.161) 6.538 11.328 ( -6.496 -3.540 -6.812) 10.056 11.476 ( -1.542 -2.826 -1.021) 3.377 11.622 ( -4.954 0.306 -5.005) 7.048 11.750 ( -0.610 -0.431 1.758) 1.910 11.931 ( -9.850 1.347 4.222) 10.801 13.358 ( -10.799 -0.038 -1.019) 10.847 13.609 ( 6.265 0.949 7.805) 10.054 14.006 ( -0.260 12.116 1.123) 12.171 14.111 ( 4.989 -2.625 -2.594) 6.205 14.437 ( -4.642 0.957 -7.085) 8.524 14.485 ( 1.746 4.387 8.114) 9.388 14.838 ( 1.601 6.691 -13.521) 15.170 15.011 ( -2.911 -15.435 0.181) 15.708 15.548 ( 0.606 -8.605 3.685) 9.380 16.236 ( 15.788 -6.142 10.643) 20.007 17.098 ( 3.769 4.081 -2.552) 6.114 17.642 ( 6.377 1.920 0.645) 6.691 18.039 ( 11.764 12.365 3.247) 17.374 18.743 ( -6.520 -13.699 -12.472) 19.640 19.901 ( 1.732 0.648 13.986) 14.108 20.438 ( -28.215 3.657 -6.562) 29.198 21.342 ( 8.900 1.024 0.544) 8.975 21.486 ( 4.623 -0.037 -1.127) 4.758 21.895 ( -4.407 1.541 -0.193) 4.673 21.937 ( -3.259 1.561 -0.196) 3.619 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 7.220 11.541 10.741) 17.340 1.599 ( 6.689 9.679 0.065) 11.766 1.824 ( 3.481 7.979 -3.684) 9.453 1.936 ( -1.219 7.836 -2.195) 8.228 2.038 ( -7.470 3.884 -2.406) 8.757 2.156 ( -5.466 1.289 -5.881) 8.131 2.205 ( 1.041 1.088 1.490) 2.118 2.353 ( -4.031 7.851 0.764) 8.858 2.388 ( -3.453 6.392 -1.074) 7.344 2.690 ( 3.380 -0.471 -0.561) 3.459 2.884 ( 7.518 -0.797 -5.630) 9.426 2.901 ( 2.250 -5.592 6.278) 8.703 3.054 ( 9.400 0.432 3.588) 10.071 3.118 ( 3.090 1.980 2.966) 4.718 3.215 ( -1.203 2.309 -2.844) 3.856 3.232 ( 4.700 -0.072 3.148) 5.657 3.380 ( -1.739 -7.565 -1.703) 7.947 3.432 ( -1.019 -5.101 -0.807) 5.264 3.545 ( -6.011 2.393 2.990) 7.127 3.647 ( -6.425 -3.370 -6.329) 9.628 3.686 ( 0.807 -2.601 -1.117) 2.943 3.782 ( -5.657 -4.597 1.185) 7.385 3.841 ( 2.375 -4.231 5.411) 7.268 3.977 ( -2.201 -5.004 -1.866) 5.777 4.035 ( -2.445 -1.210 -3.204) 4.208 4.194 ( 3.395 3.820 -3.766) 6.349 4.207 ( 2.609 -3.795 1.830) 4.956 4.328 ( -2.255 2.074 2.629) 4.037 4.520 ( -3.858 4.198 -2.143) 6.091 4.692 ( -0.770 0.021 -0.383) 0.861 4.896 ( 4.768 5.189 4.335) 8.273 5.005 ( -4.858 6.031 0.741) 7.780 5.059 ( -0.199 -13.605 -1.024) 13.645 5.247 ( 0.110 -3.515 7.283) 8.088 5.334 ( -3.364 0.924 -6.843) 7.681 5.430 ( -2.555 2.202 4.045) 5.267 5.449 ( 0.439 1.630 -6.653) 6.864 5.607 ( -0.281 1.193 -1.100) 1.647 5.883 ( 2.429 -0.854 0.188) 2.582 5.923 ( -1.566 -3.864 1.460) 4.418 6.023 ( 0.345 1.625 2.618) 3.100 6.145 ( -8.448 0.967 -0.135) 8.504 6.554 ( 1.821 -3.811 3.572) 5.531 6.613 ( -2.307 -0.834 -2.348) 3.396 6.680 ( 3.091 -6.168 -1.702) 7.106 6.757 ( -3.463 -11.407 -1.955) 12.080 7.024 ( 3.643 1.328 1.502) 4.158 7.086 ( -1.620 4.502 -1.509) 5.017 7.444 ( 3.089 3.300 1.866) 4.890 7.542 ( 3.653 0.558 -0.259) 3.704 7.608 ( 0.474 -1.516 -1.274) 2.036 7.669 ( 0.433 3.989 -0.837) 4.099 7.758 ( 2.313 0.218 -0.084) 2.325 7.889 ( -2.603 -2.134 1.174) 3.565 8.722 ( 9.100 7.778 1.361) 12.048 8.766 ( 4.535 12.077 -0.202) 12.902 8.879 ( 1.036 6.731 0.099) 6.811 8.926 ( 0.115 8.335 -1.953) 8.562 9.167 ( 1.901 3.581 -1.718) 4.404 9.504 ( 4.112 -1.031 0.718) 4.300 9.570 ( -0.144 -0.072 -0.301) 0.341 9.676 ( 1.733 -5.680 1.207) 6.060 9.875 ( -1.454 -1.121 -0.251) 1.853 10.018 ( 0.397 4.183 1.270) 4.390 10.238 ( -0.943 -0.949 0.130) 1.344 10.342 ( -2.840 -3.774 0.431) 4.743 10.488 ( -0.821 4.357 -1.619) 4.720 10.839 ( 3.660 0.404 0.932) 3.798 10.957 ( -1.181 1.852 0.217) 2.207 11.051 ( -3.524 1.518 -1.229) 4.029 11.201 ( -2.104 -5.585 -2.182) 6.354 11.256 ( -1.723 0.161 2.713) 3.218 11.504 ( 5.990 -2.914 -3.083) 7.340 11.546 ( -2.185 0.081 0.699) 2.295 11.649 ( -9.245 -2.229 0.770) 9.541 11.877 ( -0.278 1.222 1.444) 1.912 13.168 ( -6.299 3.935 -1.510) 7.579 13.779 ( 5.268 0.679 5.139) 7.391 13.994 ( -1.499 20.707 0.972) 20.784 14.187 ( 3.920 -7.531 -1.105) 8.561 14.320 ( -3.702 -1.059 -3.363) 5.113 14.579 ( 1.482 17.464 7.148) 18.928 14.781 ( 2.484 -5.802 -10.995) 12.677 14.928 ( -5.228 -19.162 0.244) 19.864 15.557 ( -0.598 -10.392 1.165) 10.474 16.543 ( 9.236 -9.204 6.612) 14.620 17.151 ( 2.878 1.115 -0.979) 3.238 17.757 ( 6.154 1.746 -0.234) 6.401 18.002 ( -9.373 20.425 -5.154) 23.057 18.825 ( 11.526 -23.891 2.789) 26.672 19.927 ( -11.238 9.155 -5.621) 15.547 19.995 ( -6.742 2.830 5.780) 9.321 21.501 ( 7.621 -0.040 0.124) 7.622 21.563 ( 2.164 -0.954 -0.199) 2.374 21.819 ( -2.943 2.877 -0.109) 4.117 21.870 ( -3.372 2.551 -0.133) 4.231 ======================= Grid point 21 (13/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 17.374 0.000) 17.374 1.520 ( 0.000 19.253 0.000) 19.253 1.766 ( 0.000 5.548 0.000) 5.548 2.019 ( 0.000 1.386 0.000) 1.386 2.311 ( 0.000 1.570 0.000) 1.570 2.364 ( 0.000 -9.127 0.000) 9.127 2.450 ( 0.000 -2.028 0.000) 2.028 2.549 ( 0.000 11.515 0.000) 11.515 2.596 ( 0.000 6.322 0.000) 6.322 2.641 ( 0.000 12.751 0.000) 12.751 2.733 ( 0.000 5.006 0.000) 5.006 2.880 ( 0.000 12.365 0.000) 12.365 2.886 ( 0.000 7.151 0.000) 7.151 2.991 ( 0.000 -6.823 0.000) 6.823 3.056 ( 0.000 2.425 0.000) 2.425 3.173 ( 0.000 -10.064 0.000) 10.064 3.195 ( 0.000 -9.186 0.000) 9.186 3.303 ( 0.000 -6.897 0.000) 6.897 3.351 ( 0.000 -8.987 0.000) 8.987 3.734 ( 0.000 -10.567 0.000) 10.567 3.740 ( 0.000 -1.507 0.000) 1.507 3.784 ( 0.000 -3.283 0.000) 3.283 3.974 ( 0.000 2.701 0.000) 2.701 3.994 ( 0.000 0.037 0.000) 0.037 4.165 ( 0.000 5.104 0.000) 5.104 4.219 ( 0.000 1.931 0.000) 1.931 4.354 ( 0.000 5.383 0.000) 5.383 4.432 ( 0.000 3.149 0.000) 3.149 4.658 ( 0.000 -5.364 0.000) 5.364 4.760 ( 0.000 -4.784 0.000) 4.784 4.907 ( 0.000 -7.984 0.000) 7.984 5.001 ( 0.000 3.020 0.000) 3.020 5.067 ( 0.000 1.563 0.000) 1.563 5.200 ( 0.000 -12.162 0.000) 12.162 5.444 ( 0.000 -1.081 0.000) 1.081 5.583 ( 0.000 3.838 0.000) 3.838 5.607 ( 0.000 1.658 0.000) 1.658 5.692 ( 0.000 -2.228 0.000) 2.228 5.877 ( 0.000 -4.305 0.000) 4.305 5.950 ( 0.000 -2.154 0.000) 2.154 6.315 ( 0.000 -1.443 0.000) 1.443 6.449 ( 0.000 3.711 0.000) 3.711 6.523 ( 0.000 -5.619 0.000) 5.619 6.605 ( 0.000 -3.183 0.000) 3.183 6.634 ( 0.000 -3.479 0.000) 3.479 6.725 ( 0.000 -4.713 0.000) 4.713 6.909 ( 0.000 -2.000 0.000) 2.000 6.972 ( 0.000 -5.884 0.000) 5.884 7.219 ( 0.000 7.064 0.000) 7.064 7.380 ( 0.000 2.960 0.000) 2.960 7.475 ( 0.000 4.451 0.000) 4.451 7.574 ( 0.000 3.125 0.000) 3.125 7.668 ( 0.000 3.116 0.000) 3.116 7.780 ( 0.000 0.736 0.000) 0.736 8.554 ( 0.000 8.010 0.000) 8.010 8.635 ( 0.000 9.962 0.000) 9.962 8.673 ( 0.000 5.377 0.000) 5.377 8.717 ( 0.000 6.182 0.000) 6.182 9.230 ( 0.000 6.367 0.000) 6.367 9.378 ( 0.000 4.789 0.000) 4.789 9.423 ( 0.000 -2.617 0.000) 2.617 9.607 ( 0.000 1.238 0.000) 1.238 10.035 ( 0.000 3.904 0.000) 3.904 10.067 ( 0.000 3.842 0.000) 3.842 10.389 ( 0.000 -1.132 0.000) 1.132 10.427 ( 0.000 1.293 0.000) 1.293 10.584 ( 0.000 1.890 0.000) 1.890 10.801 ( 0.000 4.653 0.000) 4.653 10.936 ( 0.000 -4.249 0.000) 4.249 11.073 ( 0.000 -2.956 0.000) 2.956 11.332 ( 0.000 0.565 0.000) 0.565 11.420 ( 0.000 -7.722 0.000) 7.722 11.482 ( 0.000 -5.718 0.000) 5.718 11.666 ( 0.000 0.707 0.000) 0.707 11.851 ( 0.000 -0.437 0.000) 0.437 12.147 ( 0.000 -6.979 0.000) 6.979 13.282 ( 0.000 -3.506 0.000) 3.506 13.435 ( 0.000 -11.102 0.000) 11.102 14.038 ( 0.000 3.944 0.000) 3.944 14.120 ( 0.000 1.303 0.000) 1.303 14.549 ( 0.000 7.919 0.000) 7.919 14.611 ( 0.000 1.001 0.000) 1.001 14.827 ( 0.000 6.265 0.000) 6.265 15.066 ( 0.000 1.204 0.000) 1.204 15.731 ( 0.000 -0.243 0.000) 0.243 15.852 ( 0.000 19.692 0.000) 19.692 17.001 ( 0.000 -5.789 0.000) 5.789 17.651 ( 0.000 13.750 0.000) 13.750 17.749 ( 0.000 4.719 0.000) 4.719 18.734 ( 0.000 -31.321 0.000) 31.321 19.965 ( 0.000 20.645 0.000) 20.645 20.926 ( 0.000 -8.125 0.000) 8.125 21.174 ( 0.000 1.140 0.000) 1.140 21.380 ( 0.000 -8.687 0.000) 8.687 21.992 ( 0.000 0.141 0.000) 0.141 22.006 ( 0.000 0.462 0.000) 0.462 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.641 16.434 4.218) 17.353 1.614 ( 8.466 19.384 1.831) 21.231 1.849 ( 7.041 6.007 1.475) 9.372 2.034 ( 2.680 0.021 -4.294) 5.062 2.239 ( -2.477 2.343 -5.848) 6.770 2.415 ( -2.173 1.241 3.021) 3.923 2.445 ( 3.541 -8.253 -0.604) 9.001 2.484 ( -5.126 11.244 0.081) 12.358 2.599 ( -0.472 6.251 -0.639) 6.302 2.662 ( 2.606 3.307 -5.408) 6.854 2.696 ( -5.340 2.500 3.366) 6.789 2.837 ( -2.280 4.580 -2.743) 5.805 2.924 ( 1.139 6.732 -1.398) 6.969 2.982 ( 3.151 -3.277 0.729) 4.604 3.049 ( 0.660 3.914 1.689) 4.314 3.210 ( -4.366 -8.307 3.428) 9.991 3.221 ( 2.462 -4.253 -2.360) 5.452 3.285 ( 5.985 -9.341 1.668) 11.219 3.427 ( 4.178 -5.742 4.458) 8.385 3.655 ( -7.033 -1.062 -3.660) 7.999 3.741 ( -0.941 -9.437 5.321) 10.874 3.783 ( -2.706 -4.381 -1.393) 5.334 3.917 ( -1.380 2.097 -3.246) 4.104 3.989 ( -0.471 -0.297 -1.107) 1.239 4.148 ( -1.043 0.888 -4.108) 4.331 4.211 ( -0.830 6.336 0.528) 6.412 4.321 ( -3.365 4.337 -1.392) 5.663 4.444 ( -0.316 3.435 0.209) 3.456 4.660 ( 0.593 -6.020 5.371) 8.089 4.756 ( -2.630 -2.784 4.725) 6.082 4.875 ( -2.287 -2.812 -4.868) 6.070 4.946 ( -3.116 0.144 -2.186) 3.809 5.086 ( -0.776 0.627 5.271) 5.365 5.170 ( -2.341 -10.787 -1.674) 11.164 5.450 ( 0.363 0.008 1.302) 1.352 5.555 ( -1.192 3.560 -3.938) 5.441 5.613 ( -1.074 2.833 3.513) 4.640 5.687 ( -1.685 -3.604 -1.286) 4.181 5.824 ( -4.033 -2.068 0.871) 4.616 5.910 ( -3.280 -2.484 -0.658) 4.167 6.282 ( -4.564 2.322 0.715) 5.171 6.431 ( -4.525 0.395 0.635) 4.586 6.491 ( 0.227 -3.286 -1.442) 3.595 6.569 ( 2.599 -7.585 -2.988) 8.557 6.615 ( -9.628 -1.428 1.049) 9.790 6.755 ( 3.523 -0.444 -0.095) 3.552 6.875 ( -3.620 -6.272 0.653) 7.271 7.033 ( 8.208 -4.778 0.350) 9.504 7.234 ( 1.161 5.647 2.340) 6.222 7.391 ( 3.036 2.175 -3.149) 4.885 7.533 ( 3.301 3.860 2.858) 5.828 7.641 ( 6.702 3.962 -1.963) 8.029 7.735 ( 5.686 1.544 -3.305) 6.756 7.806 ( 3.116 0.298 1.732) 3.577 8.577 ( 3.285 7.817 -0.071) 8.479 8.706 ( 4.890 7.136 0.987) 8.706 8.738 ( 8.439 7.623 0.562) 11.386 8.812 ( 10.034 4.883 0.564) 11.173 9.239 ( 0.487 6.769 -0.685) 6.821 9.372 ( 1.008 3.249 -1.766) 3.833 9.461 ( 3.060 -1.637 1.095) 3.639 9.600 ( -0.987 0.435 0.451) 1.169 10.013 ( -2.310 4.121 0.191) 4.728 10.068 ( -0.997 3.208 2.867) 4.416 10.369 ( -2.814 0.264 1.147) 3.050 10.402 ( -1.971 -0.170 -1.447) 2.451 10.593 ( 0.150 2.366 1.647) 2.887 10.798 ( 1.120 4.297 -3.670) 5.761 10.928 ( -0.955 -4.330 0.835) 4.512 11.074 ( 0.158 -3.306 -0.731) 3.389 11.304 ( -3.255 -0.956 0.844) 3.496 11.371 ( -3.581 -5.813 -4.302) 8.070 11.457 ( -3.594 -3.968 3.409) 6.347 11.686 ( 0.928 -0.436 2.377) 2.589 11.783 ( -4.454 -0.169 -6.799) 8.130 12.066 ( -8.279 -5.131 0.963) 9.788 13.334 ( 3.425 -4.706 5.012) 7.681 13.408 ( -0.888 -10.275 -3.019) 10.746 14.094 ( 0.846 3.473 -0.121) 3.576 14.135 ( 4.302 5.183 -0.038) 6.736 14.518 ( -1.619 3.755 -1.373) 4.313 14.674 ( 3.348 7.026 3.009) 8.345 14.795 ( -2.608 4.052 2.435) 5.399 15.078 ( 1.647 -0.873 -1.134) 2.182 15.655 ( -6.053 10.494 -0.914) 12.149 15.918 ( 3.408 5.435 6.862) 9.394 16.988 ( -0.437 -7.305 -2.430) 7.711 17.703 ( 4.509 13.079 4.293) 14.485 17.877 ( 13.413 3.246 -0.297) 13.804 18.630 ( -6.875 -27.357 -12.929) 31.030 19.981 ( -1.262 16.589 8.472) 18.669 20.805 ( -13.124 -7.333 -2.885) 15.308 21.227 ( 5.485 1.063 0.486) 5.608 21.386 ( 2.110 -5.181 -0.842) 5.657 21.973 ( -1.952 0.536 -0.270) 2.043 21.996 ( -1.181 0.479 -0.190) 1.289 ======================= Grid point 23 (15/75) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.329 13.819 7.890) 17.125 1.780 ( 6.947 19.569 3.755) 21.102 1.937 ( 1.020 5.206 -0.723) 5.354 2.064 ( 4.654 0.400 -6.252) 7.804 2.182 ( -0.211 6.843 -6.069) 9.149 2.323 ( -8.140 4.893 2.733) 9.883 2.416 ( -3.189 5.024 -4.299) 7.342 2.481 ( -3.825 -1.866 -4.536) 6.220 2.563 ( 3.041 2.710 0.268) 4.082 2.627 ( -1.796 2.882 -0.102) 3.397 2.685 ( 0.639 -6.848 3.834) 7.874 2.800 ( -0.392 -1.672 -4.559) 4.872 2.917 ( 1.597 -7.487 -0.428) 7.667 3.081 ( 2.185 -0.866 3.548) 4.256 3.101 ( -0.634 -0.917 2.020) 2.307 3.170 ( 5.548 0.903 4.363) 7.116 3.290 ( 5.603 2.341 -3.190) 6.859 3.405 ( 4.048 -5.882 2.197) 7.470 3.478 ( -3.818 -1.358 -4.607) 6.135 3.552 ( 2.583 -4.800 5.163) 7.508 3.658 ( -6.800 -4.046 -3.568) 8.680 3.759 ( -1.626 -5.842 6.445) 8.850 3.927 ( 2.333 -0.648 -1.868) 3.058 3.956 ( -3.511 2.391 -0.398) 4.267 4.092 ( -2.170 -0.720 -1.750) 2.879 4.199 ( -4.095 3.042 -3.472) 6.171 4.231 ( 0.191 4.428 -2.191) 4.944 4.421 ( -2.007 3.510 -0.536) 4.078 4.687 ( -5.624 -2.505 3.975) 7.329 4.725 ( -1.513 -2.248 0.033) 2.710 4.817 ( 1.029 0.538 -1.530) 1.921 4.909 ( -0.307 -0.814 2.856) 2.985 5.091 ( -3.219 -3.718 5.229) 7.178 5.122 ( -1.368 -5.272 2.395) 5.950 5.459 ( -0.261 1.220 -2.813) 3.077 5.503 ( -2.117 2.515 -3.966) 5.151 5.565 ( -4.656 2.145 -3.354) 6.126 5.642 ( 0.600 0.797 -1.347) 1.676 5.806 ( -0.533 -1.450 4.596) 4.848 5.866 ( -0.585 -3.294 -0.376) 3.367 6.166 ( -8.556 5.530 2.689) 10.537 6.340 ( -8.265 -1.791 1.846) 8.656 6.435 ( -4.644 -2.893 0.214) 5.475 6.524 ( 0.425 -3.715 -1.229) 3.936 6.586 ( 0.777 -8.929 -4.074) 9.846 6.696 ( -5.017 -4.068 -0.844) 6.514 6.947 ( 7.285 1.537 1.257) 7.551 7.170 ( 5.088 1.093 -0.833) 5.270 7.303 ( 5.545 -0.395 3.107) 6.369 7.451 ( 5.258 -0.352 -2.560) 5.858 7.597 ( 2.965 3.916 0.257) 4.918 7.727 ( 3.298 3.824 -1.717) 5.333 7.775 ( 0.388 1.358 0.204) 1.427 7.873 ( 1.249 -1.753 0.508) 2.212 8.687 ( 9.005 7.430 0.261) 11.678 8.837 ( 9.050 7.393 0.608) 11.701 8.916 ( 10.246 7.236 0.069) 12.544 9.025 ( 10.798 4.739 0.029) 11.792 9.219 ( -1.310 5.994 -1.680) 6.361 9.412 ( 4.051 1.339 -0.798) 4.341 9.523 ( 2.596 -1.823 1.116) 3.363 9.578 ( -1.918 -1.346 0.945) 2.527 9.965 ( -2.904 4.440 0.402) 5.320 10.066 ( -0.897 2.247 2.764) 3.674 10.304 ( -4.456 1.367 -0.049) 4.661 10.349 ( -3.687 -1.817 0.256) 4.119 10.597 ( -0.515 4.079 0.437) 4.135 10.808 ( 2.567 2.028 -3.617) 4.877 10.922 ( -0.374 -4.018 1.833) 4.432 11.066 ( -0.284 -3.872 -1.681) 4.230 11.222 ( -5.807 -3.735 -1.819) 7.141 11.278 ( -3.017 -2.008 -3.463) 5.013 11.419 ( -3.056 -1.467 6.441) 7.279 11.649 ( -3.960 2.621 -5.940) 7.604 11.706 ( -2.306 -4.071 0.608) 4.718 11.917 ( -7.621 -2.710 1.983) 8.328 13.328 ( -2.938 -2.436 -2.779) 4.721 13.502 ( 7.910 -8.968 6.949) 13.830 14.034 ( -4.346 -1.374 -1.573) 4.821 14.189 ( -0.460 1.179 -6.808) 6.924 14.536 ( 5.371 9.859 -0.736) 11.251 14.695 ( -3.204 16.287 9.662) 19.207 14.792 ( -2.186 -0.335 5.175) 5.628 15.123 ( 6.964 2.403 -10.631) 12.934 15.527 ( -9.179 11.844 3.473) 15.382 16.059 ( 7.231 -9.419 10.012) 15.532 16.967 ( -0.001 -10.268 -2.636) 10.601 17.840 ( 6.447 12.802 5.713) 15.431 18.171 ( 17.047 -7.934 -0.380) 18.807 18.378 ( -8.755 -13.238 -17.063) 23.304 20.008 ( -1.941 9.145 9.459) 13.299 20.461 ( -21.021 -1.513 -3.786) 21.413 21.358 ( 8.333 0.795 0.560) 8.390 21.458 ( 5.824 -2.217 -0.808) 6.284 21.923 ( -3.343 1.274 -0.236) 3.586 21.960 ( -2.734 0.605 -0.262) 2.812 ======================= Grid point 24 (16/75) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 6.688 10.642 9.062) 15.495 1.815 ( -3.992 10.260 -4.356) 11.839 1.990 ( 7.457 10.082 0.876) 12.570 2.103 ( 0.781 3.585 0.908) 3.779 2.143 ( -0.932 11.387 -4.080) 12.132 2.215 ( -7.334 4.741 2.043) 8.969 2.233 ( -5.309 3.220 -7.985) 10.115 2.454 ( 0.301 1.001 -0.491) 1.154 2.569 ( -1.100 10.458 -0.375) 10.522 2.666 ( 2.186 -0.517 2.355) 3.254 2.722 ( -0.078 -10.815 5.761) 12.254 2.755 ( -0.218 -9.918 -6.922) 12.096 2.962 ( 2.558 -7.331 -0.414) 7.775 3.109 ( 0.784 -5.639 3.076) 6.471 3.153 ( 1.870 -5.289 3.233) 6.475 3.255 ( 3.314 -3.082 -1.848) 4.888 3.327 ( -3.360 -3.211 -4.467) 6.446 3.399 ( -0.652 -1.099 1.614) 2.059 3.509 ( 4.601 5.085 -2.543) 7.314 3.582 ( 5.434 -2.350 2.888) 6.588 3.658 ( -0.532 -3.538 3.690) 5.139 3.751 ( -1.438 -2.017 1.966) 3.163 3.860 ( -3.265 6.803 -0.068) 7.546 3.931 ( -3.006 1.362 -3.162) 4.571 4.034 ( -3.474 0.967 -0.835) 3.702 4.121 ( 0.409 -4.356 -0.724) 4.434 4.279 ( 3.931 4.513 -2.198) 6.376 4.372 ( -3.201 2.374 1.163) 4.152 4.589 ( -4.204 2.021 0.141) 4.666 4.684 ( -1.466 -0.871 -0.845) 1.903 4.828 ( 0.563 -7.179 -1.899) 7.447 4.985 ( 4.311 2.670 2.903) 5.843 5.045 ( -3.822 -4.850 4.523) 7.654 5.156 ( 0.841 -1.315 5.610) 5.824 5.359 ( -3.770 1.871 -8.560) 9.539 5.453 ( -0.704 0.083 -2.964) 3.048 5.525 ( -0.499 4.885 1.070) 5.025 5.645 ( -0.044 2.102 -0.469) 2.155 5.844 ( 1.710 -1.754 1.697) 2.980 5.886 ( 2.547 -1.295 -0.427) 2.889 6.064 ( -3.073 2.357 2.098) 4.405 6.158 ( -9.592 -0.003 0.680) 9.616 6.439 ( 1.951 -6.644 2.709) 7.436 6.499 ( -1.914 -8.143 -3.531) 9.080 6.579 ( 0.662 -4.619 -1.342) 4.855 6.625 ( -2.232 -3.362 -0.246) 4.043 7.069 ( 4.544 4.062 0.642) 6.129 7.197 ( -0.374 5.974 -0.408) 6.000 7.425 ( 4.303 -3.548 1.583) 5.798 7.530 ( 3.941 -2.090 -1.420) 4.682 7.646 ( 2.564 4.253 -0.695) 5.014 7.743 ( -1.303 3.029 0.249) 3.307 7.768 ( 0.920 0.707 -0.592) 1.302 7.843 ( -3.812 -2.286 0.711) 4.502 8.873 ( 10.297 7.336 1.097) 12.690 8.986 ( 3.988 8.730 0.352) 9.604 9.042 ( -0.136 9.544 -1.343) 9.639 9.094 ( 2.540 6.967 0.051) 7.416 9.228 ( 1.384 2.648 -1.324) 3.268 9.489 ( 4.841 -1.862 -1.534) 5.408 9.544 ( -2.570 -5.448 3.314) 6.875 9.558 ( 0.297 0.009 -0.201) 0.359 9.927 ( -1.224 4.981 0.085) 5.130 10.073 ( 0.317 1.269 0.748) 1.507 10.233 ( -2.720 0.309 -0.183) 2.743 10.287 ( -2.574 -1.651 0.386) 3.082 10.586 ( -0.444 5.647 -0.269) 5.671 10.837 ( 1.665 -0.666 -1.269) 2.197 10.936 ( 0.441 -3.018 1.717) 3.500 11.051 ( 0.031 -5.859 -1.836) 6.140 11.113 ( -3.870 0.506 -1.411) 4.150 11.228 ( -1.288 -3.113 -0.734) 3.448 11.448 ( 2.336 -1.450 6.284) 6.859 11.566 ( -2.330 -0.653 -8.447) 8.787 11.614 ( -5.726 0.762 3.045) 6.530 11.861 ( -0.922 -2.816 1.222) 3.205 13.266 ( -1.772 5.527 -1.648) 6.033 13.683 ( 6.019 -8.677 6.056) 12.173 13.974 ( -0.044 -9.384 -0.972) 9.435 14.065 ( -6.531 -9.241 -6.327) 12.965 14.605 ( 1.083 25.819 0.295) 25.844 14.713 ( 0.178 -0.061 0.280) 0.338 14.807 ( 0.380 11.734 9.081) 14.842 15.171 ( 5.974 21.340 -12.670) 25.527 15.386 ( -8.335 -1.363 6.122) 10.431 16.245 ( 5.579 -20.070 5.930) 21.659 16.958 ( 0.137 -12.517 -1.044) 12.561 17.966 ( 2.616 10.622 8.702) 13.978 18.096 ( -5.238 -16.963 -15.671) 23.680 18.489 ( 10.439 -1.065 1.117) 10.552 20.021 ( -0.568 4.312 3.272) 5.443 20.117 ( -12.431 5.389 -1.293) 13.610 21.499 ( 6.192 -0.043 0.243) 6.197 21.541 ( 2.317 -1.181 -0.296) 2.618 21.867 ( -1.996 1.969 -0.139) 2.808 21.904 ( -2.649 0.933 -0.109) 2.811 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 14.142 0.000) 14.142 1.791 ( 0.000 7.690 0.000) 7.690 1.835 ( 0.000 0.189 0.000) 0.189 1.904 ( 0.000 -11.116 0.000) 11.116 2.291 ( 0.000 1.280 0.000) 1.280 2.323 ( 0.000 -0.682 0.000) 0.682 2.453 ( 0.000 4.261 0.000) 4.261 2.579 ( 0.000 -6.312 0.000) 6.312 2.732 ( 0.000 7.903 0.000) 7.903 2.781 ( 0.000 7.041 0.000) 7.041 2.812 ( 0.000 2.589 0.000) 2.589 2.879 ( 0.000 -4.233 0.000) 4.233 2.957 ( 0.000 -4.969 0.000) 4.969 3.013 ( 0.000 -1.216 0.000) 1.216 3.080 ( 0.000 -0.727 0.000) 0.727 3.081 ( 0.000 -1.198 0.000) 1.198 3.175 ( 0.000 2.363 0.000) 2.363 3.183 ( 0.000 -4.160 0.000) 4.160 3.337 ( 0.000 9.939 0.000) 9.939 3.520 ( 0.000 -10.249 0.000) 10.249 3.714 ( 0.000 -0.545 0.000) 0.545 3.729 ( 0.000 -2.056 0.000) 2.056 4.001 ( 0.000 0.858 0.000) 0.858 4.004 ( 0.000 0.741 0.000) 0.741 4.288 ( 0.000 7.227 0.000) 7.227 4.314 ( 0.000 7.664 0.000) 7.664 4.454 ( 0.000 2.932 0.000) 2.932 4.492 ( 0.000 0.556 0.000) 0.556 4.548 ( 0.000 -4.487 0.000) 4.487 4.595 ( 0.000 -10.278 0.000) 10.278 4.812 ( 0.000 0.216 0.000) 0.216 4.922 ( 0.000 -9.307 0.000) 9.307 5.093 ( 0.000 0.841 0.000) 0.841 5.095 ( 0.000 0.408 0.000) 0.408 5.466 ( 0.000 3.310 0.000) 3.310 5.555 ( 0.000 -4.851 0.000) 4.851 5.667 ( 0.000 4.260 0.000) 4.260 5.736 ( 0.000 2.480 0.000) 2.480 5.787 ( 0.000 -1.920 0.000) 1.920 5.874 ( 0.000 -5.273 0.000) 5.273 6.331 ( 0.000 2.875 0.000) 2.875 6.414 ( 0.000 -5.213 0.000) 5.213 6.538 ( 0.000 -1.605 0.000) 1.605 6.544 ( 0.000 -3.102 0.000) 3.102 6.547 ( 0.000 5.001 0.000) 5.001 6.656 ( 0.000 -4.759 0.000) 4.759 6.899 ( 0.000 0.121 0.000) 0.121 6.905 ( 0.000 -0.997 0.000) 0.997 7.342 ( 0.000 4.851 0.000) 4.851 7.399 ( 0.000 -0.987 0.000) 0.987 7.577 ( 0.000 5.292 0.000) 5.292 7.624 ( 0.000 1.119 0.000) 1.119 7.705 ( 0.000 1.067 0.000) 1.067 7.749 ( 0.000 -3.257 0.000) 3.257 8.674 ( 0.000 4.119 0.000) 4.119 8.717 ( 0.000 -0.211 0.000) 0.211 8.780 ( 0.000 4.119 0.000) 4.119 8.799 ( 0.000 1.912 0.000) 1.912 9.335 ( 0.000 4.099 0.000) 4.099 9.389 ( 0.000 -1.588 0.000) 1.588 9.492 ( 0.000 5.992 0.000) 5.992 9.588 ( 0.000 -3.277 0.000) 3.277 10.103 ( 0.000 2.291 0.000) 2.291 10.115 ( 0.000 1.064 0.000) 1.064 10.396 ( 0.000 1.674 0.000) 1.674 10.431 ( 0.000 -1.136 0.000) 1.136 10.660 ( 0.000 5.616 0.000) 5.616 10.777 ( 0.000 -5.375 0.000) 5.375 10.938 ( 0.000 3.021 0.000) 3.021 11.007 ( 0.000 -3.695 0.000) 3.695 11.290 ( 0.000 -3.047 0.000) 3.047 11.294 ( 0.000 -3.964 0.000) 3.964 11.489 ( 0.000 5.391 0.000) 5.391 11.611 ( 0.000 -5.702 0.000) 5.702 11.894 ( 0.000 4.743 0.000) 4.743 12.011 ( 0.000 -6.671 0.000) 6.671 13.222 ( 0.000 -1.113 0.000) 1.113 13.265 ( 0.000 -5.640 0.000) 5.640 14.114 ( 0.000 3.021 0.000) 3.021 14.141 ( 0.000 0.279 0.000) 0.279 14.610 ( 0.000 -0.114 0.000) 0.114 14.614 ( 0.000 0.125 0.000) 0.125 14.991 ( 0.000 7.063 0.000) 7.063 15.064 ( 0.000 -1.266 0.000) 1.266 15.822 ( 0.000 10.172 0.000) 10.172 16.035 ( 0.000 -5.638 0.000) 5.638 17.146 ( 0.000 23.769 0.000) 23.769 17.660 ( 0.000 -18.266 0.000) 18.266 17.906 ( 0.000 11.446 0.000) 11.446 18.170 ( 0.000 -20.580 0.000) 20.580 20.359 ( 0.000 18.935 0.000) 18.935 20.695 ( 0.000 -14.929 0.000) 14.929 21.204 ( 0.000 2.026 0.000) 2.026 21.261 ( 0.000 -4.008 0.000) 4.008 21.999 ( 0.000 0.498 0.000) 0.498 22.007 ( 0.000 -0.286 0.000) 0.286 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 2.663 13.448 2.081) 13.866 1.876 ( 7.847 3.136 -0.672) 8.477 1.918 ( 2.721 -5.715 2.604) 6.845 1.945 ( 9.329 1.427 1.658) 9.582 2.303 ( 2.668 2.889 -3.586) 5.322 2.351 ( 2.006 -1.890 -0.265) 2.769 2.428 ( -1.359 3.996 -2.546) 4.929 2.564 ( -0.763 -6.472 -2.543) 6.995 2.688 ( -5.175 9.190 2.504) 10.840 2.738 ( -6.346 0.631 -3.835) 7.441 2.763 ( -3.026 3.880 -2.648) 5.587 2.805 ( -4.594 0.192 -1.304) 4.779 2.894 ( -4.536 -2.799 0.130) 5.332 2.955 ( -4.885 -8.743 3.475) 10.601 3.094 ( -0.130 0.695 -0.582) 0.915 3.138 ( 0.381 0.479 -4.316) 4.359 3.192 ( 6.370 -2.330 3.886) 7.817 3.228 ( 5.750 -0.690 0.148) 5.793 3.434 ( 6.220 6.947 5.921) 11.046 3.566 ( 3.307 -7.342 3.974) 8.980 3.651 ( -5.787 0.886 -3.147) 6.647 3.698 ( -4.087 -3.719 -1.236) 5.662 3.969 ( -1.447 3.153 -2.832) 4.478 4.002 ( 0.022 0.125 -0.526) 0.541 4.196 ( -4.223 5.934 -3.770) 8.201 4.319 ( -3.463 -0.834 -2.803) 4.533 4.392 ( -5.244 5.265 2.453) 7.825 4.493 ( -0.857 -1.940 2.350) 3.166 4.568 ( 4.045 0.733 0.661) 4.164 4.662 ( 1.624 -6.700 4.560) 8.266 4.807 ( -0.635 0.872 0.567) 1.218 4.917 ( -1.093 -8.178 2.012) 8.493 5.049 ( -3.274 2.070 -0.859) 3.968 5.090 ( -1.642 -1.217 2.106) 2.935 5.479 ( 1.407 3.000 -1.047) 3.475 5.555 ( -0.069 -3.859 -2.291) 4.488 5.649 ( -0.510 2.785 -1.813) 3.362 5.697 ( -3.446 0.741 -1.014) 3.668 5.779 ( -1.095 0.345 2.155) 2.442 5.848 ( -2.977 -4.011 0.784) 5.056 6.323 ( -1.354 2.546 0.434) 2.917 6.395 ( -1.850 -4.270 -0.624) 4.696 6.459 ( -3.740 -1.770 -1.428) 4.377 6.476 ( -3.610 -1.525 -1.480) 4.189 6.594 ( -2.742 4.019 0.705) 4.916 6.727 ( -2.851 -7.907 0.239) 8.409 6.833 ( 2.983 5.491 0.848) 6.306 6.938 ( 5.811 -5.050 0.774) 7.737 7.349 ( 0.517 5.125 0.720) 5.201 7.412 ( 1.492 -0.971 -1.055) 2.069 7.628 ( 3.214 5.689 2.490) 6.992 7.697 ( 6.496 0.858 -0.558) 6.576 7.747 ( 4.192 -0.187 -3.235) 5.298 7.771 ( 3.015 -2.974 -0.044) 4.235 8.702 ( 3.747 4.792 -0.304) 6.091 8.758 ( 4.766 -0.693 0.081) 4.817 8.858 ( 7.598 3.716 1.244) 8.549 8.879 ( 8.403 1.469 0.708) 8.560 9.351 ( 1.377 4.290 -0.621) 4.548 9.403 ( 1.738 -0.906 -1.884) 2.719 9.496 ( 0.296 4.608 1.359) 4.813 9.577 ( -1.250 -2.949 0.315) 3.219 10.088 ( -1.938 2.796 1.123) 3.583 10.108 ( -1.391 0.754 1.868) 2.448 10.379 ( -2.243 1.134 0.876) 2.662 10.402 ( -2.952 -0.652 -0.630) 3.088 10.668 ( 0.505 5.217 1.087) 5.353 10.778 ( 0.494 -5.147 -0.853) 5.240 10.922 ( -0.673 2.986 -2.897) 4.214 10.998 ( -0.261 -4.299 -2.500) 4.980 11.248 ( -3.425 -1.933 -0.825) 4.018 11.273 ( -2.114 -4.124 -1.816) 4.977 11.482 ( -2.211 5.613 4.345) 7.435 11.611 ( -0.758 -6.382 1.708) 6.650 11.836 ( -4.686 5.016 -3.224) 7.584 11.951 ( -5.662 -6.218 -1.122) 8.484 13.249 ( 2.769 -2.548 1.149) 3.935 13.263 ( 0.974 -4.161 -1.662) 4.585 14.161 ( 0.257 3.333 0.107) 3.344 14.199 ( 4.163 0.346 0.470) 4.204 14.585 ( 1.333 4.469 0.057) 4.664 14.679 ( 6.688 -3.937 1.401) 7.886 14.974 ( -3.056 7.501 5.499) 9.790 15.044 ( -2.889 -1.628 3.101) 4.540 15.801 ( -2.505 9.670 0.381) 9.996 16.010 ( -3.590 -5.743 2.171) 7.113 17.097 ( -3.755 22.546 -3.644) 23.145 17.649 ( -2.181 -24.552 0.817) 24.662 17.988 ( 9.577 10.301 -3.581) 14.514 18.189 ( 4.824 -13.149 -5.287) 14.971 20.314 ( -5.823 16.410 3.291) 17.721 20.605 ( -9.772 -12.784 -0.054) 16.091 21.254 ( 5.387 1.859 0.037) 5.698 21.303 ( 4.772 -3.240 -0.269) 5.774 21.985 ( -1.469 0.676 -0.167) 1.626 21.996 ( -1.222 -0.363 -0.192) 1.289 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 4.268 10.920 3.421) 12.213 1.925 ( 1.256 -7.101 -1.764) 7.424 2.074 ( 8.473 9.392 2.779) 12.951 2.133 ( 6.777 6.071 4.629) 10.208 2.327 ( -1.365 -2.478 -2.768) 3.958 2.340 ( 1.650 5.200 -3.895) 6.703 2.419 ( 2.282 -1.099 -4.374) 5.054 2.504 ( -3.565 -1.462 -5.024) 6.331 2.568 ( -6.066 2.753 -6.740) 9.476 2.633 ( -3.387 3.845 4.437) 6.778 2.699 ( -0.597 -5.432 -3.002) 6.235 2.733 ( -3.121 3.955 1.491) 5.254 2.817 ( -6.710 -1.344 5.438) 8.741 2.902 ( -2.223 -14.171 2.546) 14.568 3.084 ( 0.199 1.971 -0.569) 2.061 3.152 ( 2.278 -2.063 -2.135) 3.742 3.331 ( 6.035 -0.710 4.259) 7.421 3.360 ( 7.385 -1.622 1.236) 7.661 3.493 ( -6.535 2.195 -6.660) 9.586 3.559 ( -3.413 -3.214 -4.246) 6.325 3.593 ( 3.256 3.792 4.054) 6.436 3.665 ( 3.176 -3.593 5.729) 7.471 3.951 ( 0.244 3.343 0.557) 3.398 3.993 ( -1.524 -0.061 0.358) 1.567 4.111 ( -2.891 3.438 -3.165) 5.495 4.196 ( -5.902 -3.165 -4.722) 8.194 4.356 ( -0.963 7.017 0.950) 7.146 4.463 ( -2.812 -1.817 -0.187) 3.353 4.625 ( 0.154 0.194 1.315) 1.338 4.680 ( -1.380 -3.293 1.895) 4.042 4.797 ( -1.114 1.826 1.131) 2.419 4.908 ( -2.563 -8.589 3.525) 9.631 5.006 ( -0.392 5.436 3.356) 6.401 5.091 ( -0.050 -2.709 5.391) 6.034 5.478 ( 0.384 0.967 -7.239) 7.313 5.502 ( -1.673 -1.419 -9.363) 9.617 5.627 ( -2.196 3.241 2.049) 4.419 5.662 ( -0.170 0.210 1.603) 1.626 5.784 ( 0.125 -0.108 3.420) 3.424 5.812 ( 0.044 -2.305 -0.167) 2.311 6.264 ( -8.707 3.971 2.223) 9.825 6.305 ( -7.003 -0.914 1.056) 7.141 6.381 ( -5.513 -2.315 -0.919) 6.050 6.401 ( -1.735 -5.348 -2.013) 5.972 6.539 ( -1.229 1.660 -0.763) 2.201 6.607 ( -4.780 -4.585 -0.696) 6.660 7.008 ( 11.008 4.612 0.771) 11.960 7.111 ( 11.226 -5.304 0.262) 12.419 7.365 ( 0.637 4.770 0.535) 4.842 7.437 ( 1.959 -2.048 -0.793) 2.943 7.688 ( 2.583 5.199 0.230) 5.810 7.775 ( 0.828 -2.336 1.307) 2.802 7.784 ( 2.259 2.194 -1.529) 3.500 7.823 ( 1.286 -2.459 -1.270) 3.052 8.818 ( 9.359 5.621 -0.112) 10.917 8.891 ( 9.909 -1.243 -0.015) 9.987 9.032 ( 10.209 4.143 0.965) 11.060 9.073 ( 11.366 0.052 0.971) 11.408 9.338 ( -2.711 5.300 -1.499) 6.139 9.413 ( -0.285 -2.124 -1.495) 2.613 9.523 ( 1.344 2.046 1.587) 2.918 9.560 ( -0.172 -1.147 0.307) 1.200 10.054 ( -2.565 3.744 1.404) 4.751 10.091 ( -1.687 0.024 2.136) 2.722 10.323 ( -4.556 0.494 -0.100) 4.583 10.329 ( -4.246 -0.377 0.192) 4.267 10.689 ( 0.738 5.156 1.671) 5.470 10.788 ( 1.245 -4.315 -0.896) 4.579 10.890 ( -0.629 1.789 -2.835) 3.411 10.967 ( -0.888 -5.364 -4.283) 6.921 11.177 ( -3.511 -0.321 -0.705) 3.595 11.212 ( -2.536 -3.551 -3.195) 5.408 11.464 ( -3.174 5.296 6.281) 8.808 11.589 ( -3.169 -6.626 0.777) 7.386 11.733 ( -3.933 4.966 -2.217) 6.712 11.836 ( -5.427 -5.096 -0.418) 7.456 13.294 ( 4.079 -0.086 -1.548) 4.364 13.348 ( 7.019 -5.660 2.142) 9.267 14.058 ( -10.066 3.187 -1.879) 10.725 14.137 ( -9.393 -4.291 -4.306) 11.189 14.731 ( 10.459 8.440 -1.704) 13.547 14.830 ( 6.048 0.747 2.972) 6.780 14.981 ( -1.014 7.818 8.591) 11.660 15.082 ( 8.900 -1.404 7.258) 11.570 15.732 ( -5.883 7.717 0.390) 9.712 15.931 ( -7.170 -7.863 3.981) 11.362 16.998 ( -3.744 18.721 -4.891) 19.708 17.569 ( -5.794 -33.091 -3.033) 33.731 18.160 ( 11.406 10.422 -5.350) 16.351 18.307 ( 11.034 -3.916 -3.686) 12.275 20.208 ( -8.034 10.153 4.580) 13.733 20.378 ( -14.310 -6.731 0.221) 15.816 21.379 ( 7.892 1.370 0.086) 8.011 21.413 ( 7.140 -2.112 -0.369) 7.454 21.945 ( -2.786 1.010 -0.173) 2.968 21.961 ( -2.636 -0.451 -0.222) 2.683 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 3.398 6.431 3.008) 7.871 1.920 ( -0.654 -0.778 -1.868) 2.126 2.178 ( 2.177 7.933 0.671) 8.254 2.198 ( -0.576 8.962 1.970) 9.194 2.260 ( -1.971 0.415 -2.649) 3.328 2.366 ( 0.680 0.485 2.670) 2.798 2.410 ( -1.680 5.015 -6.544) 8.414 2.429 ( 0.025 6.176 -0.822) 6.230 2.506 ( 1.362 -5.620 -3.150) 6.585 2.599 ( -2.254 2.255 1.489) 3.519 2.704 ( 1.303 -3.531 -0.702) 3.829 2.717 ( -0.612 0.199 1.745) 1.860 2.773 ( -0.804 -5.685 3.010) 6.483 2.885 ( -0.993 -14.584 1.068) 14.656 3.096 ( 0.781 2.111 0.630) 2.337 3.186 ( 2.333 -4.778 0.476) 5.339 3.319 ( -3.987 0.718 -3.491) 5.347 3.338 ( -5.576 -1.633 -2.992) 6.535 3.534 ( 6.965 -0.604 1.153) 7.086 3.555 ( 5.281 -2.337 0.757) 5.824 3.691 ( 2.103 3.437 1.894) 4.452 3.724 ( 0.072 -0.854 3.059) 3.177 3.935 ( -2.597 2.928 -1.951) 4.373 3.980 ( 0.597 -0.290 2.804) 2.882 4.065 ( -0.943 0.764 -1.379) 1.836 4.075 ( -3.697 0.774 -4.104) 5.577 4.364 ( 1.369 3.858 0.171) 4.098 4.407 ( -3.264 0.162 0.794) 3.363 4.604 ( -1.354 1.570 -0.232) 2.086 4.655 ( -1.219 -2.265 -0.253) 2.584 4.784 ( -0.442 1.376 -0.059) 1.446 4.870 ( -1.984 -7.509 0.830) 7.811 5.074 ( 2.418 3.999 5.921) 7.543 5.140 ( 0.902 -2.118 4.566) 5.114 5.399 ( -1.994 2.011 -7.094) 7.638 5.436 ( -0.783 -1.618 -5.462) 5.750 5.615 ( -0.663 3.915 1.716) 4.326 5.664 ( -0.369 -0.724 0.576) 0.996 5.831 ( 2.828 0.558 0.939) 3.032 5.856 ( 3.850 -1.652 -0.239) 4.196 6.110 ( -6.774 2.161 1.545) 7.276 6.144 ( -8.838 -1.270 1.195) 9.009 6.345 ( 0.187 -2.155 0.010) 2.163 6.368 ( -0.973 -4.381 -1.439) 4.713 6.531 ( 0.191 -0.521 -0.519) 0.760 6.557 ( -1.146 -2.950 -0.407) 3.191 7.175 ( 5.978 6.127 0.457) 8.573 7.274 ( 5.116 -1.595 -0.050) 5.359 7.376 ( 0.608 2.083 0.363) 2.200 7.465 ( 1.206 -4.577 -0.400) 4.750 7.729 ( 2.502 3.750 -1.183) 4.660 7.773 ( -1.573 0.055 0.675) 1.712 7.786 ( -1.214 0.673 0.473) 1.466 7.801 ( -1.487 -1.899 -0.561) 2.476 9.007 ( 10.573 5.980 0.453) 12.155 9.077 ( 8.800 -0.098 0.075) 8.801 9.182 ( 4.224 4.416 0.353) 6.121 9.199 ( -1.456 3.411 0.026) 3.709 9.270 ( -1.539 2.180 -1.169) 2.913 9.365 ( -2.449 -6.941 -0.275) 7.365 9.553 ( 1.035 2.352 0.855) 2.708 9.573 ( 0.699 0.556 0.129) 0.902 10.022 ( -1.289 3.957 0.433) 4.184 10.073 ( -1.210 -1.218 0.682) 1.847 10.247 ( -2.751 1.137 -0.085) 2.978 10.268 ( -2.166 -0.791 0.198) 2.315 10.707 ( 0.278 6.352 0.851) 6.415 10.806 ( 0.964 -3.010 -0.476) 3.196 10.879 ( 0.311 -1.339 0.523) 1.471 10.923 ( -1.109 -5.470 -3.590) 6.637 11.131 ( -1.255 0.759 -0.090) 1.470 11.162 ( -1.097 -2.732 -1.899) 3.503 11.457 ( -0.515 2.020 4.438) 4.903 11.513 ( -4.002 -3.280 -1.918) 5.519 11.682 ( -1.163 4.699 -0.245) 4.847 11.780 ( -1.208 -4.940 0.426) 5.103 13.375 ( 4.472 5.722 -0.809) 7.307 13.507 ( 7.690 -8.085 2.421) 11.417 13.866 ( -7.223 -1.398 -1.263) 7.465 13.911 ( -10.682 -5.506 -2.957) 12.377 14.778 ( 0.042 6.205 -1.161) 6.313 14.889 ( -0.114 -1.563 -0.376) 1.612 15.163 ( 11.316 21.168 7.553) 25.163 15.330 ( 10.056 9.337 2.569) 13.961 15.588 ( -8.709 4.035 -1.603) 9.732 15.823 ( -6.060 -20.341 3.021) 21.438 16.928 ( -1.354 14.533 -2.283) 14.773 17.455 ( -3.475 -33.424 -2.732) 33.715 18.293 ( 5.220 12.991 -2.453) 14.214 18.473 ( 6.740 -4.675 -1.242) 8.297 20.114 ( -3.903 4.343 2.172) 6.230 20.165 ( -7.697 -0.416 0.342) 7.716 21.503 ( 4.886 0.487 0.048) 4.911 21.518 ( 3.637 -1.024 -0.166) 3.782 21.897 ( -1.927 1.071 -0.079) 2.206 21.910 ( -2.278 -0.260 -0.083) 2.295 ======================= Grid point 63 (21/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 2.271 0.000 18.251) 18.392 0.500 ( 0.110 0.000 22.028) 22.028 1.097 ( -2.220 0.000 45.941) 45.995 1.226 ( -1.522 0.000 -15.477) 15.552 1.467 ( -0.969 0.000 -16.901) 16.929 2.086 ( 0.449 0.000 -0.271) 0.524 2.134 ( -11.824 0.000 4.692) 12.721 2.378 ( 7.367 0.000 4.929) 8.864 2.488 ( 6.746 0.000 5.365) 8.619 2.583 ( -3.628 0.000 -1.879) 4.086 2.683 ( 0.627 0.000 -2.693) 2.765 2.901 ( 3.257 0.000 2.657) 4.204 2.963 ( -4.416 0.000 4.662) 6.422 3.175 ( 1.355 0.000 -22.539) 22.580 3.434 ( -1.998 0.000 -2.758) 3.406 3.491 ( 10.743 0.000 -6.068) 12.338 3.549 ( -10.737 0.000 2.184) 10.957 3.550 ( -1.379 0.000 2.587) 2.931 3.692 ( -1.775 0.000 -3.427) 3.859 3.782 ( 3.712 0.000 -3.801) 5.313 3.840 ( -3.645 0.000 3.854) 5.304 3.900 ( -2.510 0.000 0.287) 2.527 4.046 ( -2.538 0.000 -0.398) 2.569 4.078 ( 6.714 0.000 0.666) 6.747 4.111 ( -0.521 0.000 4.658) 4.687 4.237 ( 0.987 0.000 0.715) 1.219 4.361 ( -1.478 0.000 -1.399) 2.035 4.365 ( 1.081 0.000 -2.275) 2.519 4.467 ( 2.799 0.000 -4.905) 5.647 4.569 ( -5.591 0.000 -8.375) 10.070 4.951 ( -2.572 0.000 3.858) 4.637 5.180 ( -1.861 0.000 -5.563) 5.866 5.226 ( 3.999 0.000 7.470) 8.473 5.242 ( 4.174 0.000 1.496) 4.434 5.457 ( 0.002 0.000 4.842) 4.842 5.532 ( -3.212 0.000 9.030) 9.584 5.616 ( -3.563 0.000 0.049) 3.563 5.758 ( 0.826 0.000 1.117) 1.389 6.019 ( 0.442 0.000 1.596) 1.657 6.143 ( 6.382 0.000 -7.636) 9.952 6.448 ( -1.218 0.000 1.376) 1.838 6.508 ( -0.586 0.000 -0.142) 0.603 6.693 ( 3.443 0.000 -0.247) 3.452 6.758 ( -0.489 0.000 -2.912) 2.953 6.827 ( -2.285 0.000 3.925) 4.542 7.024 ( -2.462 0.000 -0.845) 2.603 7.054 ( -9.399 0.000 4.878) 10.589 7.101 ( -2.736 0.000 -1.465) 3.103 7.207 ( 0.153 0.000 1.456) 1.464 7.258 ( 11.796 0.000 -6.345) 13.394 7.272 ( -0.931 0.000 -1.562) 1.818 7.358 ( -6.307 0.000 -1.584) 6.503 7.573 ( -5.634 0.000 1.348) 5.793 7.699 ( 1.137 0.000 -3.193) 3.389 7.996 ( -0.577 0.000 2.690) 2.751 8.030 ( 10.934 0.000 2.117) 11.137 8.228 ( -0.961 0.000 -1.371) 1.674 8.238 ( -2.007 0.000 -1.049) 2.265 9.069 ( -2.993 0.000 5.121) 5.931 9.349 ( -0.650 0.000 3.957) 4.010 9.391 ( 4.796 0.000 -7.569) 8.960 9.594 ( 6.169 0.000 -4.743) 7.782 9.779 ( -2.003 0.000 8.237) 8.477 10.073 ( -0.070 0.000 -2.806) 2.807 10.351 ( -0.383 0.000 1.005) 1.075 10.405 ( 3.129 0.000 -1.730) 3.576 10.564 ( -5.113 0.000 6.485) 8.258 10.833 ( -2.001 0.000 0.732) 2.131 10.966 ( -3.496 0.000 -1.718) 3.896 11.056 ( 7.180 0.000 -13.122) 14.958 11.320 ( 0.722 0.000 -6.980) 7.018 11.386 ( 2.746 0.000 -3.923) 4.788 11.621 ( 1.937 0.000 1.325) 2.347 11.726 ( -4.729 0.000 -3.023) 5.613 11.956 ( 0.032 0.000 11.940) 11.940 12.055 ( 5.778 0.000 7.225) 9.251 13.224 ( 0.821 0.000 14.044) 14.068 13.790 ( 0.074 0.000 -2.421) 2.422 13.983 ( 5.969 0.000 1.320) 6.113 14.149 ( -7.847 0.000 -10.770) 13.326 14.579 ( -26.622 0.000 0.167) 26.623 14.582 ( 3.827 0.000 0.052) 3.828 14.766 ( 1.002 0.000 7.955) 8.018 15.457 ( 8.688 0.000 -16.968) 19.063 15.823 ( -4.762 0.000 2.605) 5.428 15.842 ( 1.950 0.000 3.836) 4.303 16.469 ( -5.882 0.000 3.757) 6.980 16.661 ( -1.052 0.000 -3.342) 3.503 18.282 ( 8.554 0.000 9.414) 12.719 18.757 ( -16.061 0.000 -7.666) 17.797 20.773 ( -4.802 0.000 0.721) 4.856 20.840 ( 29.983 0.000 -1.840) 30.040 21.047 ( 1.618 0.000 1.626) 2.294 21.110 ( -0.323 0.000 -0.824) 0.885 21.964 ( 0.336 0.000 0.083) 0.346 21.965 ( -0.402 0.000 0.066) 0.408 ======================= Grid point 64 (22/75) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 15.048 0.000 16.356) 22.225 0.869 ( 25.177 0.000 14.903) 29.257 1.326 ( 4.851 0.000 -9.358) 10.540 1.328 ( 19.840 0.000 -13.674) 24.095 1.545 ( 15.917 0.000 29.442) 33.469 1.998 ( -6.185 0.000 2.185) 6.560 2.137 ( 4.877 0.000 3.566) 6.041 2.431 ( -5.333 0.000 -4.189) 6.781 2.490 ( -7.390 0.000 -1.981) 7.651 2.512 ( -1.458 0.000 2.059) 2.523 2.680 ( -2.605 0.000 1.378) 2.947 2.912 ( -1.816 0.000 0.668) 1.935 2.957 ( 0.250 0.000 4.954) 4.960 3.073 ( 2.514 0.000 -21.455) 21.602 3.363 ( -8.302 0.000 -0.888) 8.349 3.373 ( -1.077 0.000 -5.410) 5.517 3.564 ( -2.157 0.000 6.390) 6.744 3.611 ( -3.062 0.000 -4.904) 5.782 3.646 ( 6.778 0.000 0.188) 6.780 3.796 ( -1.462 0.000 1.175) 1.876 3.816 ( -0.649 0.000 -1.120) 1.295 3.914 ( 4.428 0.000 -0.908) 4.520 3.997 ( -2.675 0.000 -0.580) 2.738 4.134 ( -0.449 0.000 3.832) 3.858 4.193 ( 5.574 0.000 0.937) 5.652 4.255 ( -0.457 0.000 -1.717) 1.777 4.321 ( -3.055 0.000 -0.946) 3.199 4.322 ( -4.793 0.000 0.071) 4.794 4.431 ( -2.048 0.000 -2.279) 3.064 4.438 ( -1.900 0.000 -3.791) 4.240 4.903 ( -5.108 0.000 5.299) 7.360 5.062 ( -6.554 0.000 -5.519) 8.569 5.310 ( 1.018 0.000 4.960) 5.064 5.330 ( 2.647 0.000 -2.161) 3.417 5.445 ( -0.120 0.000 0.964) 0.971 5.513 ( -7.459 0.000 15.511) 17.211 5.522 ( -4.341 0.000 -5.468) 6.982 5.787 ( -2.905 0.000 6.279) 6.919 5.937 ( -8.309 0.000 -1.734) 8.488 6.029 ( 0.145 0.000 0.488) 0.509 6.349 ( -8.740 0.000 3.243) 9.322 6.451 ( -5.892 0.000 -0.939) 5.966 6.673 ( -10.357 0.000 -5.112) 11.550 6.688 ( -3.223 0.000 -4.650) 5.657 6.838 ( -0.274 0.000 4.636) 4.644 6.884 ( -0.527 0.000 5.345) 5.371 6.959 ( -2.786 0.000 1.529) 3.178 7.071 ( 2.380 0.000 -1.677) 2.912 7.325 ( 5.787 0.000 -2.122) 6.163 7.329 ( 4.041 0.000 -1.583) 4.340 7.486 ( 5.096 0.000 -2.385) 5.627 7.488 ( 6.817 0.000 -5.794) 8.947 7.637 ( 15.731 0.000 2.897) 15.996 7.729 ( 3.439 0.000 0.908) 3.556 8.074 ( 11.531 0.000 1.688) 11.654 8.271 ( 8.152 0.000 -3.607) 8.914 8.294 ( 7.881 0.000 -0.653) 7.908 8.392 ( 20.767 0.000 -8.903) 22.595 9.051 ( -2.283 0.000 4.348) 4.911 9.393 ( 2.880 0.000 3.746) 4.725 9.433 ( 5.042 0.000 -7.668) 9.177 9.640 ( 3.383 0.000 -6.044) 6.926 9.830 ( 2.200 0.000 5.447) 5.874 10.045 ( -1.155 0.000 -3.008) 3.222 10.339 ( -1.203 0.000 0.299) 1.240 10.434 ( 1.420 0.000 -2.784) 3.125 10.509 ( -5.418 0.000 7.037) 8.881 10.826 ( -0.859 0.000 5.936) 5.998 10.872 ( -4.296 0.000 -3.212) 5.364 11.078 ( 3.910 0.000 -12.900) 13.479 11.289 ( -0.271 0.000 -4.344) 4.353 11.377 ( 0.133 0.000 -1.437) 1.443 11.555 ( -11.283 0.000 -4.892) 12.298 11.666 ( 0.548 0.000 5.092) 5.121 11.968 ( -4.929 0.000 6.621) 8.254 12.066 ( -6.571 0.000 7.578) 10.030 13.316 ( 0.719 0.000 12.384) 12.405 13.732 ( -15.495 0.000 -2.616) 15.714 13.823 ( -4.471 0.000 -13.600) 14.316 13.919 ( -8.232 0.000 -1.187) 8.317 14.408 ( -3.469 0.000 13.673) 14.106 14.650 ( -0.220 0.000 0.917) 0.943 14.950 ( 15.016 0.000 5.965) 16.157 15.522 ( 11.251 0.000 -15.597) 19.231 15.996 ( 15.419 0.000 -16.406) 22.515 16.064 ( 15.844 0.000 8.634) 18.044 16.412 ( -3.073 0.000 2.215) 3.787 16.671 ( 2.226 0.000 0.744) 2.347 18.511 ( -7.910 0.000 -6.767) 10.409 18.571 ( 15.847 0.000 14.182) 21.267 20.521 ( -21.086 0.000 -6.273) 21.999 20.761 ( -20.506 0.000 4.543) 21.003 21.173 ( 7.361 0.000 -0.913) 7.417 21.175 ( 8.205 0.000 1.130) 8.282 21.936 ( -2.889 0.000 -0.018) 2.889 21.951 ( -2.039 0.000 0.171) 2.046 ======================= Grid point 65 (23/75) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 19.754 0.000 11.408) 22.811 1.300 ( 10.178 0.000 2.388) 10.454 1.378 ( 11.400 0.000 6.113) 12.936 1.614 ( 15.857 0.000 -8.553) 18.016 1.900 ( -3.614 0.000 -2.367) 4.320 2.091 ( 18.150 0.000 12.646) 22.121 2.205 ( -7.928 0.000 -1.662) 8.101 2.365 ( -0.657 0.000 8.046) 8.073 2.379 ( 2.283 0.000 -1.762) 2.884 2.426 ( 1.578 0.000 2.736) 3.159 2.572 ( -8.540 0.000 2.422) 8.877 2.924 ( 2.471 0.000 2.340) 3.403 2.954 ( 0.244 0.000 -8.927) 8.930 3.061 ( 5.526 0.000 -6.118) 8.245 3.222 ( -5.710 0.000 -5.053) 7.625 3.330 ( -0.314 0.000 -6.755) 6.762 3.483 ( -11.288 0.000 4.256) 12.064 3.538 ( -2.649 0.000 -3.970) 4.772 3.753 ( 2.530 0.000 4.378) 5.056 3.777 ( -2.544 0.000 -0.538) 2.601 3.816 ( 2.406 0.000 -0.404) 2.440 3.930 ( -5.213 0.000 2.802) 5.918 3.986 ( 4.029 0.000 -2.248) 4.614 4.091 ( -5.629 0.000 -1.523) 5.831 4.132 ( -5.949 0.000 -6.042) 8.480 4.247 ( -2.060 0.000 1.319) 2.446 4.267 ( -2.119 0.000 1.157) 2.414 4.311 ( 4.547 0.000 2.981) 5.437 4.379 ( -2.374 0.000 -3.901) 4.567 4.508 ( 7.872 0.000 1.165) 7.958 4.840 ( -5.373 0.000 4.967) 7.317 4.898 ( -8.167 0.000 -5.102) 9.630 5.268 ( -3.821 0.000 -5.994) 7.108 5.312 ( -2.100 0.000 -1.791) 2.760 5.426 ( -2.608 0.000 -2.675) 3.736 5.465 ( -3.184 0.000 8.636) 9.204 5.530 ( 1.509 0.000 9.763) 9.879 5.718 ( -4.775 0.000 2.209) 5.261 5.896 ( -0.766 0.000 2.334) 2.457 6.026 ( -0.418 0.000 -1.469) 1.528 6.185 ( -11.366 0.000 1.121) 11.422 6.335 ( -4.501 0.000 -3.499) 5.701 6.463 ( -7.673 0.000 -0.761) 7.710 6.624 ( -0.814 0.000 -4.114) 4.194 6.869 ( 1.287 0.000 4.472) 4.653 6.941 ( -1.416 0.000 4.084) 4.323 6.981 ( 4.767 0.000 3.793) 6.092 7.116 ( 3.680 0.000 -2.272) 4.325 7.328 ( -2.556 0.000 -1.201) 2.824 7.398 ( 2.511 0.000 -1.158) 2.765 7.496 ( 1.489 0.000 -3.786) 4.068 7.598 ( 8.646 0.000 -3.381) 9.284 7.756 ( 0.067 0.000 0.383) 0.389 7.873 ( 7.273 0.000 1.890) 7.515 8.355 ( 11.468 0.000 0.280) 11.471 8.441 ( 11.376 0.000 -0.911) 11.413 8.507 ( 15.246 0.000 6.032) 16.396 8.616 ( 11.810 0.000 -10.282) 15.659 9.037 ( -1.663 0.000 3.409) 3.792 9.466 ( 2.670 0.000 -6.038) 6.601 9.489 ( 5.341 0.000 3.138) 6.195 9.688 ( 5.964 0.000 -4.214) 7.303 9.891 ( 1.612 0.000 2.756) 3.193 10.000 ( -2.107 0.000 -2.050) 2.940 10.326 ( -0.009 0.000 0.150) 0.151 10.426 ( 0.102 0.000 -2.018) 2.021 10.456 ( -5.057 0.000 5.724) 7.638 10.806 ( -1.439 0.000 -1.118) 1.823 10.860 ( 0.195 0.000 6.388) 6.391 11.050 ( 1.022 0.000 -10.565) 10.614 11.265 ( 0.106 0.000 -2.671) 2.673 11.288 ( -11.074 0.000 -8.898) 14.206 11.418 ( 1.570 0.000 3.938) 4.239 11.686 ( -2.194 0.000 5.424) 5.851 11.875 ( -6.894 0.000 0.745) 6.934 11.970 ( -8.269 0.000 5.895) 10.155 13.341 ( -17.411 0.000 -7.120) 18.810 13.383 ( -0.096 0.000 8.147) 8.147 13.739 ( -8.358 0.000 -9.809) 12.887 13.786 ( 1.727 0.000 -7.984) 8.169 14.458 ( -2.616 0.000 20.385) 20.552 14.659 ( 0.908 0.000 4.835) 4.920 15.356 ( 25.581 0.000 4.407) 25.958 15.601 ( 6.753 0.000 -15.404) 16.819 16.036 ( 0.664 0.000 -18.364) 18.376 16.354 ( -0.690 0.000 -3.456) 3.524 16.455 ( 14.052 0.000 19.191) 23.785 16.762 ( 6.280 0.000 6.416) 8.978 18.362 ( -4.156 0.000 -9.358) 10.239 18.987 ( 20.188 0.000 14.679) 24.960 19.993 ( -28.882 0.000 -16.561) 33.293 20.401 ( -22.517 0.000 8.663) 24.126 21.342 ( 11.474 0.000 -0.497) 11.485 21.352 ( 10.590 0.000 0.546) 10.604 21.862 ( -5.410 0.000 0.168) 5.413 21.888 ( -5.284 0.000 0.003) 5.284 ======================= Grid point 66 (24/75) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -5.250 0.000 -2.325) 5.742 1.578 ( 18.369 0.000 7.794) 19.954 1.705 ( 9.709 0.000 20.752) 22.911 1.715 ( -3.354 0.000 -4.175) 5.355 1.863 ( 4.884 0.000 -5.168) 7.111 1.976 ( -8.797 0.000 -5.697) 10.480 2.161 ( 1.277 0.000 -3.731) 3.943 2.251 ( -5.084 0.000 2.359) 5.604 2.341 ( -11.201 0.000 2.563) 11.490 2.770 ( 19.206 0.000 -0.303) 19.209 2.784 ( 12.875 0.000 16.400) 20.851 2.894 ( 1.022 0.000 -11.314) 11.360 3.032 ( 3.719 0.000 4.844) 6.107 3.078 ( -5.942 0.000 -1.893) 6.236 3.124 ( -4.870 0.000 -7.524) 8.963 3.204 ( -10.695 0.000 0.809) 10.726 3.294 ( 3.721 0.000 -5.544) 6.677 3.473 ( 0.233 0.000 -6.291) 6.295 3.732 ( -5.267 0.000 7.532) 9.191 3.750 ( -0.044 0.000 2.083) 2.083 3.855 ( 1.664 0.000 -0.067) 1.665 3.930 ( 0.836 0.000 5.285) 5.351 3.982 ( -4.242 0.000 -1.043) 4.369 4.028 ( 2.336 0.000 -3.287) 4.033 4.051 ( 0.442 0.000 -5.896) 5.912 4.199 ( -2.692 0.000 -4.208) 4.996 4.243 ( -1.085 0.000 1.238) 1.646 4.303 ( -3.674 0.000 -3.082) 4.796 4.427 ( 5.379 0.000 4.379) 6.936 4.649 ( 3.528 0.000 -3.021) 4.644 4.740 ( -2.866 0.000 -1.110) 3.074 4.772 ( -4.574 0.000 2.600) 5.262 5.183 ( -2.109 0.000 -3.238) 3.864 5.231 ( -3.102 0.000 -6.735) 7.415 5.411 ( 0.792 0.000 1.639) 1.820 5.478 ( -1.336 0.000 6.707) 6.839 5.590 ( -1.109 0.000 7.769) 7.848 5.678 ( -0.734 0.000 1.432) 1.610 5.890 ( -1.527 0.000 3.247) 3.588 5.981 ( -5.941 0.000 -2.107) 6.303 6.023 ( -1.668 0.000 -2.303) 2.843 6.265 ( -0.632 0.000 -5.470) 5.507 6.396 ( -1.595 0.000 3.193) 3.569 6.605 ( 1.059 0.000 -3.891) 4.033 6.911 ( -0.150 0.000 4.182) 4.184 6.940 ( -1.900 0.000 4.424) 4.815 7.074 ( 3.164 0.000 2.963) 4.335 7.178 ( 5.009 0.000 -2.842) 5.760 7.269 ( -3.238 0.000 0.253) 3.248 7.385 ( -1.007 0.000 -2.822) 2.997 7.526 ( 1.938 0.000 -1.157) 2.257 7.695 ( 4.016 0.000 -4.361) 5.929 7.773 ( 1.064 0.000 2.571) 2.783 7.934 ( 0.023 0.000 -0.551) 0.551 8.481 ( 4.123 0.000 0.035) 4.123 8.579 ( 2.574 0.000 -1.025) 2.771 8.725 ( 1.186 0.000 4.862) 5.004 8.758 ( 11.080 0.000 -5.798) 12.506 9.064 ( 2.576 0.000 5.693) 6.249 9.459 ( 0.136 0.000 -3.687) 3.690 9.592 ( 2.935 0.000 2.995) 4.194 9.778 ( 5.545 0.000 -4.120) 6.908 9.917 ( -0.053 0.000 1.501) 1.502 9.957 ( -1.107 0.000 -0.502) 1.215 10.347 ( 1.838 0.000 0.872) 2.035 10.391 ( -4.631 0.000 2.553) 5.288 10.452 ( 3.225 0.000 2.382) 4.009 10.795 ( -0.040 0.000 0.343) 0.346 10.861 ( -4.910 0.000 -1.311) 5.082 10.995 ( -0.632 0.000 -4.419) 4.463 11.109 ( -1.211 0.000 -5.303) 5.439 11.269 ( 1.899 0.000 -1.696) 2.546 11.496 ( 4.538 0.000 2.130) 5.013 11.631 ( -5.352 0.000 -0.206) 5.356 11.789 ( -2.629 0.000 1.276) 2.922 11.852 ( -7.725 0.000 3.578) 8.514 13.117 ( -3.337 0.000 -2.332) 4.071 13.410 ( -2.666 0.000 6.910) 7.406 13.524 ( -5.492 0.000 -15.888) 16.810 13.780 ( 2.964 0.000 -7.505) 8.069 14.555 ( -0.688 0.000 21.954) 21.965 14.731 ( 1.308 0.000 9.741) 9.828 15.598 ( 4.058 0.000 -15.996) 16.502 15.816 ( 10.548 0.000 -26.034) 28.089 15.858 ( 3.071 0.000 12.376) 12.752 16.268 ( -5.319 0.000 -4.174) 6.761 16.789 ( 7.319 0.000 21.996) 23.182 16.999 ( 13.066 0.000 19.106) 23.147 18.232 ( -3.667 0.000 -13.226) 13.724 19.204 ( -18.741 0.000 -15.623) 24.399 19.589 ( 12.278 0.000 2.801) 12.594 20.083 ( -17.628 0.000 4.522) 18.199 21.535 ( 8.550 0.000 0.295) 8.555 21.543 ( 10.106 0.000 -0.287) 10.110 21.751 ( -6.530 0.000 0.331) 6.539 21.768 ( -7.416 0.000 -0.062) 7.416 ======================= Grid point 67 (25/75) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -15.785 0.000 6.860) 17.211 1.405 ( -23.875 0.000 -0.073) 23.875 1.844 ( 6.083 0.000 4.683) 7.677 1.898 ( 0.659 0.000 7.489) 7.518 1.990 ( 10.969 0.000 -9.353) 14.415 1.991 ( 4.208 0.000 4.377) 6.072 2.145 ( 0.006 0.000 -2.547) 2.547 2.260 ( 3.518 0.000 2.301) 4.204 2.300 ( 8.473 0.000 3.493) 9.164 2.572 ( -35.431 0.000 2.417) 35.514 2.678 ( -15.434 0.000 -11.357) 19.162 2.864 ( -8.491 0.000 2.621) 8.886 2.937 ( -2.169 0.000 7.521) 7.828 3.080 ( 8.680 0.000 0.146) 8.681 3.112 ( 6.072 0.000 -3.169) 6.849 3.429 ( 6.824 0.000 -2.875) 7.405 3.452 ( 13.241 0.000 2.831) 13.540 3.514 ( 12.294 0.000 -9.994) 15.844 3.748 ( 2.899 0.000 2.971) 4.151 3.811 ( 3.997 0.000 3.962) 5.627 3.866 ( -0.848 0.000 1.243) 1.505 3.933 ( 0.155 0.000 -1.764) 1.770 3.959 ( 1.412 0.000 3.647) 3.911 4.010 ( -0.839 0.000 -7.759) 7.804 4.064 ( 2.151 0.000 -0.731) 2.272 4.141 ( -0.048 0.000 -2.883) 2.883 4.211 ( -4.721 0.000 -2.693) 5.436 4.266 ( 3.485 0.000 2.456) 4.263 4.521 ( -7.906 0.000 -3.465) 8.632 4.524 ( 1.336 0.000 3.181) 3.450 4.733 ( 0.385 0.000 1.097) 1.163 4.855 ( 8.433 0.000 -0.781) 8.470 5.147 ( -1.702 0.000 -5.670) 5.920 5.162 ( 1.089 0.000 -0.838) 1.374 5.452 ( -5.235 0.000 3.467) 6.279 5.462 ( 2.705 0.000 4.122) 4.930 5.591 ( -1.739 0.000 2.231) 2.828 5.704 ( 1.815 0.000 2.204) 2.855 5.890 ( 0.289 0.000 1.157) 1.192 5.901 ( -1.454 0.000 1.915) 2.405 6.045 ( 4.078 0.000 -0.536) 4.113 6.240 ( 2.083 0.000 -6.659) 6.977 6.423 ( 2.331 0.000 3.114) 3.889 6.610 ( 2.038 0.000 -3.850) 4.356 6.907 ( -2.677 0.000 4.156) 4.944 6.920 ( -3.134 0.000 3.974) 5.061 7.114 ( -0.902 0.000 2.720) 2.865 7.222 ( -2.334 0.000 2.028) 3.092 7.256 ( 5.464 0.000 -4.201) 6.892 7.365 ( 0.832 0.000 -2.813) 2.933 7.530 ( -0.526 0.000 -1.493) 1.582 7.683 ( -2.166 0.000 -4.050) 4.593 7.811 ( 0.417 0.000 4.436) 4.455 7.887 ( -4.102 0.000 -2.342) 4.724 8.513 ( -1.009 0.000 1.199) 1.567 8.539 ( -4.889 0.000 -2.227) 5.372 8.625 ( -12.116 0.000 0.485) 12.126 8.917 ( 8.334 0.000 -1.735) 8.512 9.138 ( -0.297 0.000 7.297) 7.303 9.439 ( 0.219 0.000 -3.634) 3.641 9.587 ( -5.565 0.000 2.968) 6.307 9.800 ( -0.033 0.000 -7.097) 7.097 9.906 ( -2.495 0.000 2.094) 3.257 9.977 ( 3.143 0.000 0.257) 3.154 10.333 ( -2.739 0.000 1.348) 3.053 10.377 ( -0.257 0.000 1.967) 1.984 10.559 ( 4.656 0.000 5.508) 7.213 10.723 ( -4.707 0.000 -3.565) 5.905 10.809 ( 1.926 0.000 0.852) 2.106 10.988 ( 2.920 0.000 -9.617) 10.050 11.154 ( 5.325 0.000 1.051) 5.428 11.307 ( 3.620 0.000 -3.798) 5.247 11.556 ( -1.828 0.000 0.422) 1.876 11.592 ( 5.038 0.000 0.751) 5.094 11.761 ( -4.176 0.000 4.396) 6.064 11.767 ( -1.358 0.000 1.207) 1.817 13.206 ( 12.831 0.000 1.614) 12.932 13.268 ( -8.712 0.000 -6.712) 10.998 13.494 ( 5.104 0.000 -4.437) 6.763 13.802 ( 4.091 0.000 -7.029) 8.133 14.679 ( -0.267 0.000 21.654) 21.656 14.796 ( -1.362 0.000 12.402) 12.476 15.505 ( -15.469 0.000 -13.552) 20.565 15.557 ( 1.623 0.000 -17.935) 18.008 16.139 ( -5.898 0.000 -2.753) 6.509 16.193 ( 14.933 0.000 -2.083) 15.078 16.938 ( -4.988 0.000 19.652) 20.275 17.484 ( 23.148 0.000 36.389) 43.128 18.050 ( -7.083 0.000 -18.191) 19.521 18.640 ( -21.584 0.000 -24.488) 32.642 19.821 ( -12.498 0.000 -3.633) 13.015 20.003 ( 22.470 0.000 7.492) 23.686 21.526 ( -9.610 0.000 0.184) 9.611 21.544 ( -9.637 0.000 -0.161) 9.639 21.756 ( 6.696 0.000 0.444) 6.711 21.766 ( 7.120 0.000 -0.180) 7.122 ======================= Grid point 68 (26/75) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -17.166 0.000 18.398) 25.162 0.968 ( -25.388 0.000 3.774) 25.667 1.750 ( -39.090 0.000 9.111) 40.137 1.804 ( -6.946 0.000 -10.509) 12.597 1.942 ( -0.866 0.000 0.696) 1.111 2.027 ( -6.953 0.000 -5.708) 8.995 2.154 ( -6.813 0.000 14.899) 16.383 2.186 ( -2.280 0.000 -10.857) 11.094 2.316 ( 13.657 0.000 -6.096) 14.956 2.513 ( 8.732 0.000 7.710) 11.649 2.523 ( 2.561 0.000 7.223) 7.664 2.794 ( 0.223 0.000 -2.054) 2.066 2.950 ( -0.483 0.000 6.074) 6.093 3.200 ( 6.182 0.000 -2.017) 6.503 3.201 ( 6.682 0.000 -5.486) 8.645 3.458 ( 1.760 0.000 -6.284) 6.525 3.595 ( 3.354 0.000 1.777) 3.795 3.663 ( 6.925 0.000 -8.507) 10.969 3.752 ( -2.650 0.000 -1.061) 2.855 3.847 ( 1.145 0.000 0.005) 1.145 3.861 ( -0.381 0.000 0.591) 0.703 3.908 ( -3.973 0.000 -1.382) 4.207 4.018 ( 2.580 0.000 -2.018) 3.275 4.060 ( 5.192 0.000 -0.954) 5.279 4.110 ( -3.355 0.000 -4.306) 5.459 4.127 ( 1.952 0.000 7.681) 7.925 4.182 ( 8.761 0.000 -2.313) 9.061 4.377 ( -4.013 0.000 -2.573) 4.767 4.432 ( 10.162 0.000 4.029) 10.931 4.492 ( -4.369 0.000 -0.106) 4.370 4.811 ( 5.671 0.000 2.218) 6.090 4.974 ( 5.793 0.000 -1.706) 6.039 5.122 ( 1.915 0.000 -2.306) 2.997 5.203 ( 3.383 0.000 -1.145) 3.572 5.368 ( -5.944 0.000 6.586) 8.871 5.542 ( 2.167 0.000 7.076) 7.401 5.564 ( -1.048 0.000 -1.674) 1.975 5.740 ( 1.309 0.000 0.289) 1.341 5.897 ( -1.112 0.000 -0.994) 1.491 5.934 ( 1.962 0.000 4.229) 4.662 6.154 ( 7.707 0.000 1.754) 7.904 6.295 ( 9.291 0.000 -5.277) 10.685 6.512 ( 6.592 0.000 0.279) 6.598 6.632 ( 3.120 0.000 -3.935) 5.021 6.878 ( -3.503 0.000 4.929) 6.047 6.885 ( -2.672 0.000 3.259) 4.215 7.079 ( -4.343 0.000 3.214) 5.403 7.200 ( -1.688 0.000 1.924) 2.559 7.317 ( 3.807 0.000 -4.858) 6.172 7.351 ( -2.252 0.000 -1.447) 2.677 7.519 ( 2.318 0.000 -4.224) 4.818 7.601 ( -4.018 0.000 -2.374) 4.667 7.762 ( -8.189 0.000 -2.138) 8.463 7.822 ( -2.850 0.000 4.614) 5.423 8.341 ( -18.402 0.000 0.344) 18.405 8.407 ( -7.863 0.000 -1.793) 8.064 8.464 ( -5.625 0.000 1.201) 5.752 9.012 ( 3.011 0.000 -4.940) 5.785 9.137 ( -3.835 0.000 6.578) 7.615 9.418 ( 0.780 0.000 -8.371) 8.407 9.471 ( -7.941 0.000 2.916) 8.459 9.676 ( -7.123 0.000 -12.999) 14.823 9.855 ( -4.854 0.000 4.069) 6.333 10.041 ( 3.273 0.000 -0.291) 3.286 10.319 ( 0.836 0.000 -0.166) 0.852 10.361 ( -1.610 0.000 0.714) 1.761 10.625 ( -1.341 0.000 6.270) 6.412 10.709 ( 3.185 0.000 3.016) 4.387 10.894 ( 5.700 0.000 2.408) 6.187 10.980 ( 3.519 0.000 -12.053) 12.556 11.238 ( 3.131 0.000 -0.539) 3.177 11.336 ( 3.474 0.000 -7.918) 8.647 11.574 ( 2.140 0.000 0.605) 2.224 11.685 ( 5.098 0.000 1.664) 5.363 11.764 ( -0.301 0.000 5.991) 5.998 11.770 ( 1.007 0.000 5.834) 5.920 13.120 ( -3.951 0.000 -2.234) 4.539 13.541 ( 21.827 0.000 2.120) 21.930 13.591 ( 8.684 0.000 -4.166) 9.632 13.829 ( 3.481 0.000 -6.953) 7.776 14.782 ( -2.320 0.000 18.659) 18.802 14.833 ( -3.113 0.000 11.703) 12.110 15.162 ( -14.509 0.000 -8.661) 16.897 15.422 ( -2.744 0.000 -20.251) 20.436 16.048 ( -3.807 0.000 -0.863) 3.904 16.364 ( 7.141 0.000 -5.080) 8.763 16.838 ( -15.309 0.000 10.656) 18.652 17.697 ( -13.458 0.000 -39.372) 41.608 18.251 ( -8.628 0.000 -13.283) 15.839 18.281 ( 32.207 0.000 64.296) 71.911 19.565 ( -11.853 0.000 -13.621) 18.056 20.412 ( 18.810 0.000 4.695) 19.387 21.319 ( -12.559 0.000 0.021) 12.559 21.353 ( -10.661 0.000 0.137) 10.662 21.874 ( 5.383 0.000 0.548) 5.411 21.878 ( 5.039 0.000 -0.376) 5.053 ======================= Grid point 69 (27/75) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -20.411 0.000 12.720) 24.050 0.689 ( -22.705 0.000 16.176) 27.878 1.120 ( -33.086 0.000 30.311) 44.871 1.541 ( -21.729 0.000 -11.803) 24.728 1.620 ( -4.822 0.000 -15.477) 16.211 2.079 ( 2.740 0.000 -0.772) 2.846 2.194 ( -1.492 0.000 15.546) 15.618 2.219 ( 6.606 0.000 0.215) 6.609 2.445 ( 2.151 0.000 -6.111) 6.479 2.597 ( 1.178 0.000 3.283) 3.488 2.648 ( 3.741 0.000 1.594) 4.067 2.833 ( 3.850 0.000 -1.167) 4.023 2.979 ( -1.368 0.000 7.073) 7.204 3.253 ( 2.944 0.000 -12.042) 12.396 3.314 ( 11.159 0.000 -7.326) 13.349 3.449 ( 2.012 0.000 -5.541) 5.895 3.594 ( -3.464 0.000 0.429) 3.490 3.685 ( 2.815 0.000 -6.419) 7.009 3.699 ( -3.064 0.000 -3.466) 4.627 3.825 ( -3.757 0.000 -2.629) 4.586 3.860 ( -1.038 0.000 2.931) 3.109 3.918 ( 3.761 0.000 1.860) 4.196 4.007 ( -2.582 0.000 -1.124) 2.816 4.060 ( 1.632 0.000 1.674) 2.338 4.102 ( -0.414 0.000 1.921) 1.966 4.193 ( 2.054 0.000 5.735) 6.092 4.319 ( 0.200 0.000 0.213) 0.292 4.372 ( 11.003 0.000 -5.294) 12.210 4.412 ( -3.594 0.000 -0.807) 3.683 4.609 ( 6.637 0.000 -5.042) 8.335 4.918 ( 3.918 0.000 2.791) 4.810 5.084 ( 6.278 0.000 6.024) 8.701 5.169 ( 4.224 0.000 -3.146) 5.267 5.216 ( -0.430 0.000 -1.916) 1.964 5.382 ( 0.780 0.000 12.421) 12.445 5.542 ( -0.585 0.000 -0.733) 0.938 5.612 ( 0.204 0.000 8.708) 8.710 5.793 ( 3.060 0.000 -2.314) 3.836 5.839 ( 1.896 0.000 1.827) 2.633 5.989 ( 1.392 0.000 3.197) 3.487 6.330 ( 9.764 0.000 2.590) 10.102 6.468 ( 8.187 0.000 -0.618) 8.211 6.643 ( 7.282 0.000 -3.432) 8.050 6.692 ( 7.021 0.000 -3.952) 8.057 6.842 ( -3.675 0.000 6.115) 7.134 6.886 ( 2.450 0.000 1.339) 2.792 7.031 ( -1.736 0.000 4.011) 4.371 7.182 ( -0.638 0.000 -0.284) 0.698 7.274 ( -4.053 0.000 -2.404) 4.712 7.308 ( -3.633 0.000 -3.348) 4.940 7.501 ( -5.720 0.000 -6.024) 8.307 7.534 ( -1.651 0.000 -5.004) 5.270 7.641 ( -3.204 0.000 3.876) 5.029 7.736 ( -7.405 0.000 1.395) 7.536 8.062 ( -10.441 0.000 2.143) 10.658 8.259 ( -7.430 0.000 -3.067) 8.039 8.344 ( -7.784 0.000 0.486) 7.799 8.695 ( -35.933 0.000 -36.668) 51.339 9.099 ( -4.028 0.000 5.786) 7.050 9.359 ( 2.364 0.000 -9.122) 9.423 9.374 ( -4.669 0.000 3.447) 5.804 9.533 ( -0.417 0.000 -0.262) 0.492 9.799 ( -4.454 0.000 6.072) 7.530 10.076 ( 1.348 0.000 -1.656) 2.135 10.348 ( -0.296 0.000 0.830) 0.881 10.354 ( 3.130 0.000 -1.070) 3.308 10.609 ( -3.989 0.000 6.115) 7.301 10.827 ( 4.764 0.000 1.964) 5.153 10.984 ( 1.750 0.000 2.058) 2.702 10.987 ( 6.602 0.000 -11.862) 13.576 11.294 ( 4.771 0.000 1.717) 5.070 11.340 ( 2.427 0.000 -8.715) 9.046 11.595 ( 1.619 0.000 -3.237) 3.619 11.765 ( 0.560 0.000 2.100) 2.174 11.849 ( 2.408 0.000 13.475) 13.689 11.857 ( 5.789 0.000 8.546) 10.322 13.121 ( 1.598 0.000 8.790) 8.934 13.763 ( 13.497 0.000 -2.977) 13.822 13.800 ( 1.092 0.000 -1.572) 1.914 13.987 ( 22.236 0.000 -4.639) 22.714 14.735 ( -13.273 0.000 1.130) 13.321 14.776 ( -6.489 0.000 6.002) 8.839 14.940 ( -8.143 0.000 -0.211) 8.146 15.354 ( 8.999 0.000 -14.705) 17.240 15.941 ( -8.130 0.000 -1.491) 8.265 16.333 ( -12.903 0.000 -12.714) 18.114 16.606 ( -13.004 0.000 4.693) 13.825 16.999 ( -33.531 0.000 -38.182) 50.816 18.161 ( 1.410 0.000 0.754) 1.599 19.153 ( -14.605 0.000 -11.902) 18.840 19.569 ( 61.264 0.000 60.555) 86.141 20.701 ( 10.294 0.000 2.963) 10.712 21.119 ( -8.907 0.000 0.855) 8.948 21.189 ( -7.386 0.000 -0.060) 7.386 21.941 ( 2.373 0.000 -0.206) 2.382 21.946 ( 2.422 0.000 0.375) 2.451 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.553 22.219 10.493) 24.578 0.833 ( 0.839 20.221 17.968) 27.064 1.307 ( -2.056 12.127 -7.448) 14.379 1.396 ( -0.827 25.398 22.036) 33.635 1.615 ( -0.171 13.202 -12.543) 18.211 2.042 ( 0.310 -1.151 3.271) 3.482 2.174 ( -8.458 3.043 -0.235) 8.992 2.400 ( 6.625 1.682 2.828) 7.397 2.497 ( -1.164 2.419 3.309) 4.261 2.645 ( -1.134 3.318 -0.177) 3.511 2.665 ( 2.457 -0.994 -0.885) 2.794 2.911 ( -1.100 -1.307 0.817) 1.894 2.979 ( -1.266 1.452 5.864) 6.172 3.110 ( 1.151 -6.234 -15.013) 16.296 3.299 ( -2.947 -8.089 -3.739) 9.386 3.458 ( 6.796 -4.194 -2.466) 8.358 3.521 ( -0.903 -1.479 -2.721) 3.226 3.546 ( -0.798 -5.947 1.244) 6.128 3.647 ( -1.388 -4.801 -1.931) 5.358 3.689 ( 0.594 -2.072 -2.974) 3.673 3.859 ( -3.870 0.744 2.405) 4.616 3.910 ( -0.938 -1.846 0.321) 2.095 4.009 ( 2.857 -0.950 -0.661) 3.082 4.091 ( 0.244 -6.464 3.299) 7.262 4.107 ( 1.724 -1.449 0.065) 2.253 4.138 ( -0.383 -1.057 -1.949) 2.250 4.224 ( -0.983 -6.391 1.318) 6.599 4.333 ( 1.988 0.457 -3.635) 4.168 4.544 ( -0.865 8.578 -2.326) 8.929 4.681 ( -0.184 7.332 -3.233) 8.015 5.078 ( -2.239 -2.451 -0.835) 3.423 5.120 ( 4.137 -3.694 -5.038) 7.493 5.243 ( -1.331 -1.440 5.021) 5.390 5.337 ( -1.193 6.650 -1.285) 6.877 5.436 ( 0.406 -1.089 4.922) 5.058 5.515 ( -2.067 2.279 0.805) 3.180 5.696 ( -3.035 3.994 4.029) 6.434 5.749 ( -0.029 0.281 -1.711) 1.734 5.976 ( -1.076 -6.825 -1.561) 7.084 6.028 ( 5.778 -4.822 1.902) 7.763 6.438 ( -1.516 -1.630 0.480) 2.277 6.482 ( 3.620 -3.179 -0.547) 4.849 6.613 ( 3.494 -3.474 0.466) 4.949 6.733 ( -4.654 -4.273 -3.478) 7.213 6.786 ( -4.815 -3.916 4.022) 7.395 6.988 ( 10.226 0.999 1.857) 10.441 7.062 ( -3.935 -4.731 0.287) 6.160 7.107 ( -6.940 -0.260 0.575) 6.968 7.175 ( 4.062 -4.719 -2.990) 6.907 7.218 ( -5.458 1.310 3.465) 6.596 7.336 ( 1.264 6.384 -5.674) 8.635 7.411 ( -0.171 1.830 -3.431) 3.893 7.515 ( -2.838 -1.644 3.411) 4.732 7.682 ( 0.849 0.238 -2.169) 2.341 8.148 ( -0.940 12.131 2.111) 12.349 8.175 ( 5.892 11.517 1.477) 13.020 8.309 ( -0.716 8.024 -0.874) 8.104 8.351 ( 0.470 8.925 -3.965) 9.777 9.090 ( -2.693 2.139 4.877) 5.968 9.300 ( 0.183 -1.952 0.714) 2.086 9.432 ( 3.245 2.142 -5.355) 6.618 9.526 ( 2.143 -3.025 -2.995) 4.766 9.885 ( -0.568 8.280 7.865) 11.434 10.112 ( -0.308 -0.433 0.779) 0.943 10.373 ( -0.367 1.500 1.334) 2.041 10.444 ( 1.140 2.211 -1.896) 3.128 10.569 ( -4.327 1.059 6.148) 7.592 10.742 ( 0.293 -4.238 6.035) 7.380 11.023 ( 5.448 -1.102 -11.147) 12.456 11.092 ( -2.197 3.327 -4.382) 5.925 11.334 ( 0.843 -1.274 -5.433) 5.644 11.373 ( 0.247 2.449 -9.195) 9.519 11.637 ( 1.306 0.891 2.802) 3.217 11.730 ( -4.401 -0.176 -1.805) 4.760 11.862 ( -1.035 -4.461 8.948) 10.051 12.174 ( 5.505 5.022 -3.642) 8.294 13.293 ( 2.503 5.891 13.976) 15.372 13.826 ( -5.119 -1.540 1.530) 5.560 13.927 ( 7.096 -2.235 -1.659) 7.622 14.077 ( -0.236 -2.167 -13.461) 13.636 14.512 ( 2.577 -4.284 4.390) 6.653 14.569 ( -25.269 -2.164 2.690) 25.504 14.783 ( 0.838 1.024 5.473) 5.631 15.157 ( 4.370 -14.196 4.933) 15.652 15.697 ( 0.340 -3.517 6.390) 7.302 15.821 ( 2.835 -2.778 1.888) 4.395 16.747 ( -0.952 15.174 -1.475) 15.276 16.952 ( 1.735 20.507 -13.862) 24.813 18.087 ( 4.025 -13.030 20.308) 24.463 18.876 ( -11.121 6.107 -17.314) 21.465 20.182 ( 11.710 -19.442 25.253) 33.953 20.953 ( -1.322 -2.331 -8.448) 8.863 21.142 ( -0.846 2.576 1.085) 2.920 21.407 ( 4.446 10.434 -19.528) 22.583 21.967 ( -0.118 0.392 -0.079) 0.417 21.971 ( 0.270 0.699 -0.062) 0.752 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 13.756 15.263 12.298) 23.947 1.083 ( 13.198 14.261 17.961) 26.460 1.371 ( 12.788 7.003 -13.448) 19.834 1.512 ( 7.402 15.353 -10.169) 19.847 1.770 ( 15.704 20.590 23.075) 34.685 2.015 ( -5.943 1.690 -0.183) 6.181 2.138 ( 6.692 0.644 2.659) 7.230 2.394 ( -8.296 -0.527 -2.382) 8.648 2.482 ( -1.823 0.258 1.007) 2.098 2.578 ( -5.206 2.299 -2.168) 6.090 2.701 ( -2.344 1.949 3.752) 4.834 2.872 ( -0.440 -2.301 0.499) 2.395 2.996 ( -2.562 1.645 6.560) 7.232 3.039 ( 1.952 -2.840 -15.631) 16.006 3.239 ( 0.518 -5.486 -8.061) 9.764 3.425 ( -5.024 -2.119 1.451) 5.642 3.530 ( -2.107 -4.149 -6.078) 7.655 3.566 ( 1.064 -2.875 3.163) 4.404 3.651 ( 6.241 -0.977 -2.145) 6.671 3.703 ( 0.024 -7.156 0.627) 7.184 3.810 ( -3.429 0.893 2.255) 4.200 3.914 ( 1.988 -2.819 -0.846) 3.551 4.004 ( -2.951 0.221 -1.343) 3.250 4.087 ( -0.233 -2.623 -5.073) 5.715 4.099 ( -2.343 -5.595 3.071) 6.799 4.169 ( 2.613 -5.365 1.212) 6.090 4.222 ( -0.045 -9.371 0.646) 9.394 4.334 ( -0.376 4.011 -3.106) 5.087 4.491 ( -3.870 9.888 2.036) 10.811 4.640 ( -1.226 8.277 -3.063) 8.911 4.941 ( -7.868 0.567 -1.718) 8.073 5.124 ( -2.929 2.831 -2.569) 4.816 5.249 ( 1.159 -6.566 3.794) 7.671 5.356 ( -0.901 3.165 3.967) 5.154 5.428 ( -2.678 -0.318 0.131) 2.700 5.457 ( -4.958 0.778 0.493) 5.043 5.615 ( -6.524 2.094 2.406) 7.262 5.728 ( -4.042 -4.243 5.885) 8.305 5.885 ( -3.060 -3.761 -1.449) 5.060 6.051 ( -0.366 1.235 1.074) 1.677 6.310 ( -10.224 -3.702 1.455) 10.970 6.466 ( -6.048 1.318 -0.800) 6.241 6.614 ( -4.076 -4.459 -4.347) 7.443 6.680 ( -0.052 -2.850 -0.256) 2.862 6.756 ( -2.540 -5.049 1.331) 5.806 6.873 ( -4.832 0.042 3.390) 5.903 7.005 ( -2.985 1.877 1.810) 3.963 7.126 ( 6.019 0.753 -1.441) 6.235 7.244 ( -2.565 -2.107 -1.327) 3.575 7.335 ( 10.922 -2.712 0.035) 11.254 7.401 ( 5.809 -1.146 -5.913) 8.368 7.537 ( 9.987 -0.192 -0.270) 9.992 7.647 ( 8.567 1.126 1.933) 8.855 7.726 ( 8.387 0.775 -0.705) 8.452 8.189 ( 7.423 10.307 0.974) 12.739 8.309 ( 6.523 6.601 -1.169) 9.353 8.390 ( 8.936 7.705 0.283) 11.802 8.493 ( 15.591 8.042 -7.370) 19.028 9.073 ( -2.236 2.303 4.148) 5.245 9.347 ( 4.158 -2.514 1.969) 5.243 9.460 ( 3.903 1.542 -5.601) 6.999 9.564 ( 4.409 -4.327 -4.783) 7.813 9.913 ( -1.568 6.990 6.681) 9.795 10.090 ( -1.737 1.136 -0.554) 2.148 10.355 ( -2.412 0.791 1.410) 2.903 10.448 ( 0.213 0.573 -1.833) 1.932 10.528 ( -4.247 2.246 6.941) 8.441 10.789 ( 0.708 -1.766 7.022) 7.275 10.975 ( -5.379 6.758 -7.043) 11.145 11.045 ( 3.783 -2.589 -11.275) 12.172 11.282 ( -1.261 -1.126 -6.288) 6.511 11.351 ( 0.663 -1.632 -1.886) 2.581 11.569 ( -10.306 1.229 -2.811) 10.753 11.672 ( -1.210 0.419 5.789) 5.929 11.892 ( -1.689 -4.950 7.860) 9.441 12.123 ( -7.573 2.450 -0.509) 7.976 13.407 ( 1.146 8.066 11.884) 14.408 13.690 ( -13.899 -4.628 -5.349) 15.595 13.879 ( -5.441 3.681 -4.276) 7.839 13.996 ( 1.435 8.854 -8.136) 12.109 14.373 ( -2.343 -3.687 9.468) 10.427 14.587 ( 0.090 -4.648 4.524) 6.487 14.833 ( 2.672 -7.061 4.116) 8.599 15.310 ( 10.745 -16.735 -5.097) 20.530 15.730 ( 2.787 -10.104 0.363) 10.487 16.085 ( 18.476 0.202 5.923) 19.403 16.741 ( 2.357 15.795 -3.803) 16.417 16.969 ( 6.371 24.803 -10.016) 27.497 18.302 ( 2.846 -12.237 15.972) 20.321 18.683 ( 2.217 2.005 -8.119) 8.651 20.331 ( -7.785 -12.381 12.569) 19.284 20.713 ( -19.355 -3.183 -10.675) 22.331 21.176 ( 4.974 3.209 0.150) 5.921 21.334 ( 1.991 6.349 -4.868) 8.245 21.941 ( -2.720 0.525 0.021) 2.770 21.958 ( -1.853 0.672 -0.085) 1.973 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 14.513 8.856 8.872) 19.178 1.427 ( 11.158 8.599 14.870) 20.484 1.468 ( 8.821 8.654 -3.717) 12.904 1.667 ( 11.170 5.646 -8.298) 15.017 1.917 ( -3.044 1.177 -4.817) 5.818 2.151 ( 3.976 3.425 1.003) 5.342 2.242 ( -3.012 4.366 3.542) 6.378 2.369 ( -2.062 1.956 8.195) 8.674 2.408 ( 6.205 2.697 -0.170) 6.768 2.457 ( 3.641 4.520 3.984) 7.039 2.630 ( -5.156 4.476 3.777) 7.803 2.911 ( 3.040 -0.981 2.769) 4.227 2.984 ( -0.144 2.300 -4.342) 4.916 3.023 ( 5.607 -2.957 -9.058) 11.056 3.200 ( -0.900 -2.205 -5.673) 6.153 3.330 ( -4.834 -0.255 -3.229) 5.819 3.450 ( -4.404 -3.783 -3.536) 6.798 3.563 ( -3.948 1.694 3.842) 5.763 3.720 ( -0.333 -2.786 -0.458) 2.842 3.729 ( -0.215 -8.772 0.419) 8.785 3.760 ( -1.434 -1.931 2.916) 3.779 3.910 ( -3.363 -0.221 -0.789) 3.461 3.958 ( 2.530 -3.142 -2.519) 4.756 4.044 ( -5.080 -3.828 1.295) 6.492 4.052 ( -0.367 -3.198 -3.546) 4.789 4.182 ( -2.221 -8.727 -0.545) 9.021 4.238 ( 1.469 -2.681 1.384) 3.356 4.303 ( 0.176 1.244 -2.759) 3.031 4.452 ( -1.966 8.833 0.878) 9.092 4.634 ( 2.137 6.504 -0.261) 6.851 4.842 ( -3.573 2.272 1.461) 4.479 5.002 ( -8.377 6.361 -1.535) 10.630 5.262 ( -1.882 -2.780 -3.198) 4.637 5.314 ( -3.926 -0.422 -3.358) 5.184 5.355 ( -2.203 -3.577 1.232) 4.378 5.413 ( -0.907 -5.221 1.895) 5.628 5.556 ( -3.698 3.374 9.004) 10.302 5.686 ( -2.937 -2.728 3.383) 5.245 5.878 ( 0.782 -2.207 1.232) 2.646 6.039 ( -1.148 1.316 -1.006) 2.016 6.146 ( -9.037 -4.506 1.096) 10.157 6.288 ( -10.305 -0.234 -1.940) 10.488 6.537 ( -3.427 3.675 -3.441) 6.091 6.608 ( -0.920 -1.284 -3.272) 3.633 6.784 ( 2.497 -7.249 4.622) 8.953 6.923 ( 3.244 -3.052 3.377) 5.589 6.998 ( -0.102 2.435 3.342) 4.136 7.146 ( -4.513 -7.994 -0.676) 9.205 7.237 ( 5.332 7.360 -2.040) 9.314 7.465 ( 5.260 -2.072 -4.428) 7.181 7.499 ( 6.054 2.635 0.122) 6.604 7.636 ( 2.677 1.826 -1.244) 3.472 7.703 ( 1.829 -2.785 -0.960) 3.468 7.897 ( 5.361 1.536 1.158) 5.695 8.419 ( 12.068 6.526 1.354) 13.786 8.471 ( 12.111 3.685 1.950) 12.809 8.576 ( 11.741 7.061 0.837) 13.727 8.680 ( 9.708 5.981 -7.866) 13.853 9.059 ( -1.524 2.186 2.830) 3.887 9.452 ( 5.722 -1.857 -0.458) 6.033 9.506 ( 4.078 2.002 -2.062) 4.989 9.631 ( 6.443 -4.263 -4.630) 9.007 9.906 ( -1.951 2.651 3.056) 4.492 10.051 ( -2.715 2.007 0.318) 3.392 10.310 ( -2.774 -1.329 0.864) 3.195 10.428 ( -1.511 -0.891 -1.463) 2.284 10.506 ( -2.954 4.851 7.471) 9.384 10.843 ( 0.796 1.280 3.312) 3.639 10.869 ( -2.088 3.040 -1.296) 3.909 11.031 ( 1.345 -1.498 -9.110) 9.329 11.223 ( -2.011 -2.033 -5.179) 5.916 11.335 ( -4.841 1.593 -7.448) 9.025 11.402 ( -2.023 -0.911 5.037) 5.504 11.665 ( -3.339 -1.767 5.139) 6.378 11.889 ( -2.278 -0.200 2.976) 3.753 11.954 ( -10.611 -0.384 1.691) 10.752 13.312 ( -15.525 -0.712 -4.113) 16.076 13.512 ( 0.608 9.569 3.611) 10.246 13.796 ( -5.229 6.554 -5.587) 10.076 13.936 ( 0.843 14.010 -11.071) 17.876 14.441 ( -0.828 -2.572 17.026) 17.239 14.595 ( -0.786 -4.667 6.493) 8.035 15.030 ( 15.871 -24.132 3.548) 29.100 15.398 ( 2.882 -18.928 -7.658) 20.621 15.738 ( -1.091 -11.055 -2.276) 11.340 16.476 ( 16.901 0.171 5.163) 17.673 16.790 ( 6.115 17.959 -1.511) 19.032 17.039 ( 7.348 27.183 -4.029) 28.445 18.242 ( -8.378 -9.005 -4.212) 13.001 18.954 ( 20.833 -7.068 12.393) 25.250 19.993 ( -27.253 1.783 -15.263) 31.287 20.351 ( -17.918 -3.907 7.729) 19.901 21.320 ( 10.320 0.814 -0.063) 10.353 21.429 ( 8.470 3.364 -0.481) 9.127 21.871 ( -5.212 0.864 0.200) 5.286 21.901 ( -4.485 1.332 -0.199) 4.683 ======================= Grid point 73 (31/75) ======================= q-point: ( 0.43 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -5.103 4.878 -0.818) 7.106 1.658 ( 12.424 7.133 7.389) 16.119 1.703 ( 0.425 1.448 8.715) 8.845 1.759 ( 6.678 2.812 -0.504) 7.263 1.870 ( 1.635 1.238 -5.606) 5.969 2.023 ( -2.996 3.828 -0.741) 4.917 2.192 ( -0.149 2.758 -5.060) 5.764 2.283 ( -4.450 3.495 4.092) 6.983 2.359 ( -9.432 2.536 5.258) 11.092 2.747 ( 10.991 -0.886 4.667) 11.974 2.832 ( 7.495 0.917 3.415) 8.287 2.957 ( 6.800 5.953 -4.621) 10.150 3.048 ( 3.810 1.496 -0.320) 4.105 3.087 ( 0.194 2.840 1.446) 3.193 3.127 ( 3.529 -1.646 -6.531) 7.604 3.244 ( -10.341 3.211 -2.142) 11.038 3.281 ( -2.105 -0.984 -3.747) 4.409 3.447 ( -5.022 -0.853 -4.520) 6.810 3.682 ( -0.130 -4.780 5.279) 7.123 3.711 ( -3.479 -3.540 5.258) 7.230 3.800 ( 4.064 -6.524 0.154) 7.688 3.884 ( -3.265 -2.054 1.647) 4.194 3.947 ( -4.850 -5.394 0.430) 7.266 3.985 ( 3.668 -2.273 -5.271) 6.812 4.072 ( 3.192 2.050 -0.708) 3.859 4.150 ( -0.766 -6.761 0.366) 6.814 4.236 ( -1.822 0.923 -3.169) 3.770 4.271 ( -1.987 -1.575 -4.311) 5.001 4.465 ( 2.777 3.426 3.316) 5.517 4.670 ( -0.405 1.511 -3.239) 3.597 4.810 ( 0.167 6.710 0.936) 6.777 4.860 ( -5.814 6.624 1.573) 8.953 5.189 ( -1.334 -2.843 -7.131) 7.792 5.220 ( -2.816 2.325 -3.779) 5.255 5.378 ( 0.996 -7.016 3.376) 7.849 5.411 ( -0.528 -4.995 3.391) 6.061 5.570 ( -1.303 2.230 8.838) 9.208 5.678 ( -0.298 -1.100 3.447) 3.630 5.882 ( -1.597 -0.091 0.313) 1.630 6.001 ( -6.227 -0.640 -0.912) 6.326 6.016 ( 0.016 -0.407 -2.345) 2.380 6.140 ( -4.080 -5.651 -2.644) 7.455 6.491 ( -0.105 4.995 -0.645) 5.037 6.598 ( 1.030 -1.077 -2.919) 3.278 6.851 ( 1.017 -5.597 3.652) 6.760 6.987 ( 0.628 1.186 3.881) 4.107 6.999 ( -0.711 -5.794 1.875) 6.131 7.102 ( 0.425 -4.574 0.391) 4.610 7.305 ( 3.016 6.437 -1.623) 7.291 7.491 ( -0.918 4.687 -1.451) 4.991 7.553 ( 1.890 3.164 -2.362) 4.378 7.670 ( 2.118 -2.382 -1.141) 3.385 7.751 ( 3.526 -1.742 0.072) 3.934 7.923 ( -1.509 -0.878 -0.718) 1.888 8.561 ( 4.440 7.882 0.566) 9.064 8.651 ( 2.699 6.315 1.041) 6.946 8.747 ( 2.941 3.270 1.859) 4.774 8.785 ( 8.389 3.010 -3.439) 9.553 9.078 ( 2.711 1.542 3.278) 4.524 9.484 ( 0.355 1.488 -4.446) 4.702 9.592 ( 2.899 0.147 3.251) 4.358 9.723 ( 5.641 -4.801 -3.923) 8.383 9.895 ( -0.365 -0.090 0.856) 0.934 9.993 ( -3.717 1.188 0.179) 3.906 10.299 ( 0.708 -3.136 1.576) 3.580 10.378 ( -2.375 -2.345 -0.937) 3.466 10.519 ( -0.547 5.640 7.947) 9.760 10.828 ( 0.554 3.161 -2.196) 3.889 10.885 ( -2.450 1.855 1.301) 3.337 10.995 ( 0.429 0.132 -3.072) 3.104 11.127 ( -1.952 2.046 -7.669) 8.174 11.260 ( 0.587 -1.090 -1.253) 1.762 11.460 ( 3.974 -3.633 1.742) 5.660 11.609 ( -4.155 -2.183 -1.357) 4.886 11.804 ( -6.672 -0.053 4.365) 7.973 11.856 ( -3.097 1.551 1.216) 3.671 13.109 ( -3.770 0.722 -0.370) 3.857 13.545 ( 1.927 6.346 -6.942) 9.601 13.618 ( -8.403 14.254 -3.601) 16.934 13.919 ( 3.028 13.404 -8.560) 16.190 14.532 ( -0.049 -3.143 16.825) 17.116 14.651 ( 0.048 -5.820 12.170) 13.490 15.259 ( 2.104 -29.557 -9.672) 31.170 15.414 ( 7.909 -23.958 0.077) 25.229 15.722 ( 1.591 -8.529 4.878) 9.954 16.535 ( -5.239 9.078 -10.861) 15.094 16.942 ( 3.824 13.179 5.911) 14.941 17.308 ( 21.678 23.093 9.940) 33.197 18.057 ( -8.575 -10.735 -4.805) 14.556 19.342 ( -19.918 -10.625 -15.193) 27.211 19.464 ( 16.123 9.210 6.044) 19.527 20.094 ( -15.037 0.178 2.979) 15.331 21.505 ( 9.285 -0.907 0.055) 9.330 21.572 ( 5.492 0.539 0.073) 5.519 21.769 ( -5.000 2.085 0.244) 5.422 21.805 ( -5.383 3.133 -0.162) 6.230 ======================= Grid point 74 (32/75) ======================= q-point: (-0.43 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -14.279 5.578 6.001) 16.462 1.445 ( -21.344 4.683 0.779) 21.865 1.787 ( 2.142 -2.197 -0.622) 3.131 1.951 ( 8.655 3.409 2.128) 9.542 2.000 ( 9.310 3.048 -1.309) 9.883 2.105 ( 2.389 2.148 -7.592) 8.244 2.155 ( -0.461 6.605 11.970) 13.679 2.287 ( 2.404 2.523 0.689) 3.552 2.353 ( 8.009 4.893 4.848) 10.564 2.661 ( -23.855 6.172 -1.561) 24.690 2.745 ( -18.089 8.046 -8.063) 21.377 2.891 ( -2.379 -1.300 4.713) 5.437 2.939 ( -7.939 3.477 5.820) 10.439 3.044 ( 1.008 -2.092 -3.132) 3.899 3.143 ( 7.395 1.103 -3.015) 8.062 3.364 ( 3.067 -7.121 -1.396) 7.878 3.444 ( 12.019 -4.787 -7.145) 14.779 3.456 ( 12.599 0.731 0.965) 12.657 3.731 ( 1.670 -4.814 4.963) 7.113 3.744 ( 1.372 -1.950 -0.431) 2.422 3.822 ( -3.613 -4.150 1.949) 5.838 3.898 ( 4.094 -5.565 4.057) 8.012 3.904 ( 5.054 -4.977 1.129) 7.182 4.006 ( 0.674 -0.913 -3.980) 4.139 4.088 ( -0.085 0.909 -3.760) 3.869 4.146 ( -1.047 0.861 -4.304) 4.512 4.183 ( -0.636 -1.484 -1.353) 2.106 4.237 ( 2.502 -0.752 -0.066) 2.614 4.507 ( -4.599 2.748 0.830) 5.421 4.604 ( 1.772 2.678 -1.615) 3.595 4.796 ( -2.571 5.276 0.442) 5.886 4.889 ( 5.782 3.028 1.420) 6.679 5.149 ( 1.150 -0.014 -4.673) 4.813 5.186 ( 1.407 2.197 -4.087) 4.848 5.368 ( -3.957 -8.346 4.304) 10.190 5.474 ( 3.636 0.774 4.699) 5.992 5.589 ( -1.422 0.646 3.991) 4.286 5.705 ( 1.056 -0.183 3.131) 3.309 5.852 ( -0.509 -1.700 -0.748) 1.926 5.933 ( -1.379 1.214 0.947) 2.067 6.005 ( 0.812 -5.029 -2.422) 5.640 6.140 ( 5.530 -3.448 -2.583) 7.010 6.508 ( 1.735 3.579 -0.195) 3.983 6.600 ( 1.236 -0.532 -2.879) 3.178 6.841 ( -3.934 -4.861 3.988) 7.417 6.965 ( -1.698 2.374 2.479) 3.830 7.069 ( 3.580 -8.928 2.138) 9.854 7.121 ( 0.723 -2.744 -0.071) 2.839 7.310 ( -2.414 6.539 1.210) 7.075 7.464 ( 0.542 4.892 -3.234) 5.889 7.543 ( -1.736 1.385 -2.700) 3.496 7.682 ( 0.608 0.221 -2.826) 2.900 7.780 ( -3.082 -2.353 2.918) 4.853 7.882 ( -0.683 -0.815 -1.760) 2.056 8.580 ( -4.216 6.802 0.320) 8.009 8.607 ( -5.758 5.863 1.795) 8.411 8.683 ( -7.621 6.374 -1.594) 10.062 8.917 ( 5.771 0.753 -0.583) 5.849 9.155 ( 0.862 1.420 5.325) 5.578 9.447 ( -0.736 0.543 -4.967) 5.051 9.586 ( -5.368 -0.151 2.026) 5.740 9.738 ( -1.656 -5.880 -5.361) 8.128 9.911 ( -0.106 0.840 1.322) 1.570 9.952 ( 0.594 -1.139 0.717) 1.471 10.282 ( -2.418 -2.694 1.215) 3.819 10.400 ( 3.254 -1.275 1.061) 3.653 10.576 ( 1.073 2.468 8.150) 8.583 10.758 ( -6.988 3.355 -2.193) 8.056 10.868 ( 4.212 4.387 -0.643) 6.116 11.022 ( 3.934 3.683 -8.409) 9.987 11.128 ( 3.944 -2.166 0.812) 4.573 11.299 ( 4.529 -0.977 -2.955) 5.495 11.533 ( 0.313 -2.662 -2.124) 3.420 11.554 ( 3.463 -3.466 0.480) 4.923 11.765 ( -1.423 1.000 5.362) 5.637 11.811 ( -2.298 3.154 1.127) 4.062 13.180 ( 8.721 0.592 2.966) 9.231 13.384 ( -4.332 7.059 -13.528) 15.862 13.623 ( 3.446 13.749 1.158) 14.221 13.929 ( 3.081 12.016 -7.396) 14.443 14.632 ( 0.479 -5.860 14.806) 15.930 14.712 ( -2.721 -6.647 14.848) 16.495 15.128 ( -6.438 -19.573 -7.431) 21.904 15.477 ( 3.036 -20.149 -14.749) 25.154 15.902 ( 5.600 -18.367 19.577) 27.422 16.298 ( -11.414 6.787 -11.158) 17.345 16.975 ( -3.768 10.689 6.724) 13.178 17.668 ( 7.672 -4.896 -17.401) 19.637 17.981 ( 0.855 12.883 27.117) 30.034 18.825 ( -13.844 7.676 -19.031) 24.754 19.822 ( -8.480 0.669 -4.259) 9.512 19.976 ( 21.663 -1.143 6.451) 22.632 21.507 ( -9.588 -0.816 0.060) 9.623 21.569 ( -5.076 0.875 0.064) 5.151 21.769 ( 4.782 2.120 0.259) 5.237 21.809 ( 5.634 3.166 -0.174) 6.465 ======================= Grid point 75 (33/75) ======================= q-point: (-0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -15.351 8.000 15.052) 22.939 1.077 ( -20.198 10.930 4.202) 23.347 1.801 ( -0.936 0.202 -4.943) 5.034 1.891 ( -12.014 5.498 -4.659) 14.009 1.990 ( -25.434 10.301 1.536) 27.484 2.075 ( 3.191 4.792 5.013) 7.634 2.231 ( -11.894 7.225 -0.310) 13.920 2.274 ( 1.545 7.377 -1.354) 7.657 2.342 ( 6.515 5.128 -3.937) 9.178 2.522 ( 7.076 1.263 5.135) 8.834 2.566 ( 1.619 3.710 7.714) 8.712 2.844 ( 0.515 3.110 -1.462) 3.475 2.948 ( 0.295 -0.116 5.047) 5.057 3.076 ( 3.739 -7.781 -1.587) 8.777 3.239 ( 6.769 -0.361 -5.240) 8.568 3.362 ( 0.761 -8.842 -6.090) 10.764 3.549 ( 3.135 -4.812 -0.182) 5.746 3.607 ( 1.164 -3.948 -4.506) 6.103 3.738 ( 2.813 -1.868 -0.281) 3.388 3.765 ( -3.100 -7.049 0.746) 7.736 3.812 ( 2.350 -4.933 4.888) 7.332 3.934 ( 1.594 0.068 -4.074) 4.375 3.969 ( -1.047 -0.489 -1.203) 1.668 4.051 ( 2.483 -3.224 -2.319) 4.684 4.075 ( 0.727 -0.655 -0.242) 1.008 4.112 ( -1.856 -2.821 0.912) 3.498 4.226 ( 6.031 -1.661 -1.606) 6.458 4.314 ( 4.650 0.319 -2.846) 5.462 4.432 ( 0.311 5.716 1.839) 6.013 4.636 ( 0.860 7.061 -1.358) 7.242 4.817 ( 5.081 -0.004 3.427) 6.129 5.001 ( 5.801 1.066 0.398) 5.911 5.182 ( 4.801 4.330 -2.067) 6.788 5.207 ( 2.655 -0.114 -3.990) 4.793 5.322 ( -2.927 -2.881 6.194) 7.432 5.544 ( -0.085 -0.437 0.236) 0.503 5.595 ( 1.422 2.655 6.651) 7.301 5.746 ( 1.518 0.504 1.086) 1.933 5.828 ( -1.848 -5.689 -2.913) 6.653 5.935 ( 0.611 -0.498 3.001) 3.103 6.096 ( 9.622 -4.439 0.894) 10.635 6.274 ( 10.590 0.398 -2.220) 10.828 6.537 ( 1.943 -1.839 -1.758) 3.201 6.624 ( 4.121 1.632 -3.143) 5.434 6.790 ( -3.955 -4.026 4.308) 7.100 6.961 ( -0.896 1.826 3.192) 3.785 7.089 ( -3.427 -0.010 4.499) 5.656 7.136 ( 0.533 -9.927 -2.383) 10.223 7.260 ( -2.172 4.352 -0.804) 4.930 7.455 ( -1.964 -2.349 -3.004) 4.290 7.482 ( -0.496 5.254 -2.722) 5.938 7.644 ( -4.642 0.042 -1.061) 4.762 7.703 ( -3.552 -1.024 -1.986) 4.197 7.859 ( -3.765 1.369 2.200) 4.571 8.402 ( -14.561 6.267 1.740) 15.947 8.469 ( -8.316 6.482 -0.651) 10.564 8.562 ( -6.958 8.510 0.602) 11.009 8.924 ( -5.804 -5.976 -5.817) 10.161 9.152 ( -3.869 1.249 5.301) 6.681 9.397 ( -1.911 -1.179 -5.375) 5.825 9.471 ( -5.601 -0.459 -3.111) 6.423 9.627 ( -5.622 -2.534 -4.614) 7.702 9.878 ( -3.224 3.263 2.891) 5.422 10.017 ( 3.487 -2.561 2.716) 5.108 10.285 ( 2.119 -1.263 0.500) 2.517 10.449 ( 1.114 2.724 1.190) 3.174 10.620 ( -1.588 1.354 6.327) 6.663 10.664 ( -2.155 -1.325 1.548) 2.966 10.956 ( 5.459 1.782 -5.357) 7.853 11.052 ( 4.995 5.101 -4.772) 8.588 11.212 ( 3.661 -1.478 1.866) 4.367 11.367 ( 6.620 2.793 -9.005) 11.520 11.549 ( 2.989 -2.739 -1.290) 4.254 11.653 ( 5.903 -3.186 1.492) 6.871 11.800 ( 1.650 2.963 4.339) 5.507 11.811 ( 1.109 3.967 5.728) 7.055 13.181 ( -3.143 5.304 -4.449) 7.603 13.532 ( 18.899 -0.141 1.283) 18.943 13.710 ( 6.576 10.919 -1.461) 12.830 13.931 ( 1.693 9.612 -6.209) 11.567 14.665 ( -7.373 -15.207 5.794) 17.866 14.741 ( -0.988 -3.762 14.553) 15.064 15.029 ( -1.491 -4.542 0.896) 4.863 15.375 ( -3.308 -14.195 -19.200) 24.106 15.914 ( -13.409 -15.481 4.474) 20.964 16.155 ( -4.395 -12.362 8.896) 15.851 16.895 ( -8.049 12.204 3.946) 15.142 17.456 ( -9.320 -8.833 -27.086) 29.976 18.063 ( -11.236 0.382 14.597) 18.425 18.926 ( 25.195 22.697 16.751) 37.823 19.565 ( -11.249 -0.889 -15.622) 19.271 20.450 ( 25.315 3.438 2.822) 25.703 21.319 ( -10.226 0.488 -0.060) 10.238 21.433 ( -7.904 5.381 -0.527) 9.577 21.873 ( 5.296 0.627 0.212) 5.337 21.901 ( 4.225 1.721 -0.232) 4.568 ======================= Grid point 76 (34/75) ======================= q-point: (-0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -14.040 17.302 9.701) 24.302 0.856 ( -12.959 13.474 18.435) 26.255 1.469 ( -25.115 29.885 16.080) 42.219 1.583 ( -16.357 5.644 -10.611) 20.298 1.738 ( -4.423 7.718 -11.706) 14.702 2.050 ( -2.804 1.576 -0.323) 3.233 2.200 ( 4.707 2.426 7.438) 9.130 2.320 ( 0.061 6.405 1.039) 6.489 2.461 ( 4.561 2.720 -1.532) 5.527 2.622 ( 1.517 -1.847 3.008) 3.842 2.639 ( 2.059 3.192 2.444) 4.517 2.882 ( 2.893 1.011 -0.965) 3.213 2.978 ( -0.721 -0.174 4.882) 4.938 3.135 ( 4.168 -8.329 -6.552) 11.387 3.333 ( 6.886 -2.250 -8.797) 11.396 3.345 ( 2.543 -6.932 -3.604) 8.216 3.535 ( -2.428 -4.286 1.440) 5.132 3.593 ( 0.201 -7.224 -4.733) 8.638 3.685 ( -4.496 -7.821 -0.447) 9.032 3.741 ( -2.393 -0.158 -1.027) 2.609 3.903 ( 0.951 -3.835 3.106) 5.026 3.926 ( 0.933 1.139 -3.209) 3.530 3.939 ( 0.648 0.250 -0.774) 1.040 4.072 ( 0.625 -6.088 2.236) 6.516 4.082 ( -1.185 -2.933 3.695) 4.864 4.125 ( 3.256 3.424 -2.209) 5.216 4.237 ( -1.022 -3.921 0.000) 4.052 4.334 ( 0.912 -3.474 -5.247) 6.358 4.525 ( 5.207 10.335 -2.434) 11.825 4.664 ( 3.250 5.616 -2.108) 6.822 4.988 ( 8.378 -2.395 6.444) 10.838 5.083 ( 4.264 -2.284 -4.848) 6.848 5.203 ( -0.240 -1.957 3.787) 4.269 5.321 ( 9.655 10.652 -2.699) 14.628 5.370 ( 3.144 0.115 4.566) 5.545 5.525 ( -0.271 -0.092 -0.887) 0.932 5.673 ( 0.354 3.687 10.250) 10.898 5.750 ( 1.380 -3.878 -5.338) 6.741 5.814 ( 3.285 -0.931 3.234) 4.703 5.973 ( 1.365 -1.783 1.931) 2.962 6.300 ( 10.905 -3.053 2.219) 11.540 6.442 ( 6.425 -0.865 -1.149) 6.585 6.564 ( 3.133 -4.791 -2.316) 6.175 6.734 ( 9.354 -0.580 -1.145) 9.442 6.766 ( 0.184 -0.497 1.178) 1.292 6.934 ( -6.225 -2.138 4.250) 7.835 7.069 ( -3.036 -4.017 -2.006) 5.420 7.080 ( 0.905 0.319 4.066) 4.177 7.225 ( -1.893 -2.535 -4.013) 5.111 7.368 ( -4.209 -4.120 -5.705) 8.200 7.452 ( -5.444 7.280 -1.086) 9.155 7.557 ( -2.877 -4.313 3.122) 6.052 7.622 ( -6.658 0.392 -4.660) 8.137 7.747 ( -8.809 1.191 2.300) 9.182 8.200 ( -7.221 11.572 2.158) 13.810 8.312 ( -10.860 5.370 -2.307) 12.333 8.410 ( -10.182 6.127 0.343) 11.888 8.555 ( -21.878 -2.633 -14.314) 26.276 9.115 ( -3.528 1.682 5.294) 6.581 9.328 ( -2.621 -1.325 -1.986) 3.545 9.409 ( 1.486 2.093 -4.323) 5.028 9.539 ( -2.095 0.240 -1.769) 2.753 9.859 ( -1.515 5.925 5.752) 8.396 10.085 ( 1.982 -1.825 2.852) 3.924 10.341 ( 2.926 0.220 0.947) 3.083 10.449 ( -0.384 4.636 -1.633) 4.930 10.603 ( -3.327 0.475 5.400) 6.360 10.695 ( 1.189 -5.051 5.883) 7.844 10.991 ( 5.077 0.060 -10.729) 11.870 11.109 ( 1.983 2.011 -1.594) 3.243 11.292 ( 3.864 -0.839 2.287) 4.568 11.408 ( 4.981 6.307 -14.170) 16.291 11.594 ( 3.016 -0.809 -2.020) 3.719 11.740 ( 1.846 -3.543 3.019) 5.007 11.842 ( -0.445 1.971 4.457) 4.894 11.973 ( 12.515 7.509 5.125) 15.468 13.176 ( 2.122 4.657 6.695) 8.427 13.793 ( 9.146 2.606 -2.636) 9.869 13.864 ( 3.104 2.295 2.836) 4.791 13.968 ( 13.082 1.963 -7.633) 15.273 14.526 ( -7.343 -11.872 0.975) 13.993 14.785 ( -2.529 -1.025 6.555) 7.100 14.992 ( -8.523 1.797 -2.227) 8.990 15.181 ( -7.776 -20.139 -7.130) 22.736 15.680 ( -11.968 -13.700 7.579) 19.707 16.009 ( -17.422 -11.252 7.898) 22.193 16.790 ( -4.012 15.312 0.156) 15.830 17.123 ( -8.984 8.346 -22.132) 25.302 17.984 ( -4.331 -9.173 13.972) 17.266 19.218 ( -13.857 4.314 -17.383) 22.645 19.627 ( 29.666 -0.990 29.143) 41.598 20.865 ( 18.753 4.101 -5.279) 19.908 21.180 ( -4.633 1.707 0.198) 4.942 21.345 ( 2.743 12.671 -6.179) 14.362 21.945 ( 2.599 0.424 0.035) 2.633 21.953 ( 1.901 0.938 -0.119) 2.124 ======================= Grid point 77 (35/75) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.898 23.182 5.800) 23.913 1.171 ( 0.278 15.598 16.708) 22.859 1.543 ( -1.206 12.171 -8.329) 14.797 1.806 ( 1.709 8.299 -9.255) 12.548 2.080 ( 1.600 32.341 11.052) 34.215 2.124 ( 0.706 8.001 -4.551) 9.232 2.238 ( -8.450 4.114 -5.304) 10.791 2.436 ( 5.195 1.837 0.514) 5.534 2.565 ( -5.024 3.815 3.672) 7.299 2.643 ( -1.026 1.105 3.926) 4.206 2.710 ( 0.656 2.203 2.504) 3.400 2.836 ( 0.566 -3.928 0.200) 3.974 2.949 ( 0.477 -6.923 -4.198) 8.111 3.018 ( 0.761 0.391 5.725) 5.789 3.168 ( -1.695 -6.160 -3.783) 7.425 3.292 ( -1.404 -11.148 -1.480) 11.333 3.401 ( 3.130 -8.391 0.016) 8.955 3.466 ( 1.821 -6.007 -2.642) 6.810 3.502 ( 1.709 -5.563 0.407) 5.834 3.725 ( -1.291 0.710 -3.919) 4.186 3.840 ( -1.193 -1.752 -3.766) 4.322 3.869 ( -1.623 -3.104 -3.520) 4.966 3.935 ( 2.420 -5.074 1.871) 5.925 3.978 ( 0.005 -1.076 2.316) 2.554 4.083 ( 0.854 0.280 1.196) 1.496 4.161 ( -2.914 -0.005 -0.030) 2.914 4.213 ( -0.967 4.974 -2.304) 5.566 4.365 ( 4.032 1.883 -2.247) 4.985 4.715 ( -0.940 7.294 -2.034) 7.631 4.799 ( -0.562 3.933 -2.151) 4.518 4.950 ( 0.441 -6.554 -0.153) 6.571 5.021 ( -0.462 -6.358 -2.197) 6.743 5.216 ( 0.183 -1.642 9.230) 9.377 5.325 ( 0.677 -5.734 -0.642) 5.809 5.419 ( 1.844 -1.209 -0.572) 2.278 5.556 ( -2.139 1.402 4.076) 4.812 5.734 ( -3.380 -0.068 7.117) 7.880 5.779 ( -1.008 -2.581 -10.550) 10.908 5.849 ( -0.126 -0.331 -0.478) 0.595 5.958 ( 4.893 -4.310 1.459) 6.682 6.375 ( -1.077 -3.973 -0.240) 4.123 6.416 ( 2.890 -1.794 -0.837) 3.503 6.591 ( -0.282 0.271 0.160) 0.423 6.657 ( -3.589 -4.132 -0.557) 5.501 6.713 ( -1.790 -2.238 4.369) 5.225 6.901 ( -1.378 -9.957 0.459) 10.062 6.970 ( 1.834 -5.297 -1.609) 5.832 7.018 ( 4.764 -4.306 -5.234) 8.284 7.168 ( 1.657 3.280 4.942) 6.159 7.299 ( -7.179 5.015 1.695) 8.920 7.428 ( 1.578 2.075 -1.197) 2.869 7.466 ( -2.943 5.900 -5.312) 8.467 7.550 ( 2.476 3.290 1.958) 4.560 7.724 ( -0.447 3.181 -1.799) 3.681 8.393 ( -0.378 11.748 2.356) 11.988 8.415 ( 2.898 12.305 0.986) 12.680 8.504 ( -0.916 10.391 -0.751) 10.458 8.538 ( 1.446 9.430 -2.646) 9.901 9.154 ( -1.753 4.366 3.786) 6.039 9.294 ( -0.432 1.260 -0.541) 1.438 9.452 ( 0.988 -0.521 -3.140) 3.333 9.518 ( 1.899 2.155 -3.510) 4.535 10.013 ( -0.176 3.500 4.302) 5.549 10.088 ( 0.315 0.254 4.705) 4.722 10.388 ( 0.542 0.163 0.677) 0.882 10.451 ( -1.367 -1.146 1.059) 2.074 10.634 ( -3.552 4.977 5.183) 8.016 10.701 ( 1.440 -0.207 4.525) 4.753 10.981 ( 3.195 -2.968 -8.444) 9.504 11.097 ( -0.742 -1.958 0.659) 2.195 11.295 ( 0.978 -1.652 -3.706) 4.174 11.408 ( -1.339 -1.195 -13.146) 13.268 11.655 ( -2.437 -0.096 5.268) 5.806 11.675 ( 4.081 -3.596 2.435) 5.960 11.826 ( -6.021 0.017 1.759) 6.273 12.198 ( 3.136 -2.238 -6.397) 7.467 13.370 ( 6.765 -0.042 8.726) 11.042 13.659 ( -5.484 -12.134 -1.185) 13.369 13.937 ( 1.663 4.850 -1.442) 5.327 14.141 ( 2.144 2.017 -4.624) 5.481 14.496 ( 0.853 4.297 6.666) 7.977 14.563 ( -10.604 3.112 2.629) 11.360 14.808 ( -0.817 2.108 4.570) 5.099 15.061 ( -1.278 1.992 2.144) 3.193 15.657 ( -6.191 0.922 5.402) 8.268 15.779 ( 11.482 -0.790 0.222) 11.511 17.024 ( -2.532 9.035 0.268) 9.387 17.271 ( 6.007 13.144 -9.711) 17.412 17.879 ( 1.915 -6.529 17.389) 18.673 18.852 ( -8.589 -10.765 -23.608) 27.331 20.014 ( 6.721 1.560 24.124) 25.091 20.905 ( -1.841 -2.705 -11.090) 11.563 21.180 ( 0.031 1.137 2.142) 2.425 21.427 ( 0.762 -4.442 -11.132) 12.010 21.978 ( -0.089 0.594 -0.404) 0.723 21.988 ( 0.024 0.882 -0.282) 0.926 ======================= Grid point 78 (36/75) ======================= q-point: ( 0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 9.557 21.297 8.126) 24.717 1.342 ( 7.138 12.388 17.323) 22.461 1.581 ( 9.386 12.816 -9.886) 18.710 1.787 ( 2.787 10.230 -9.756) 14.409 2.043 ( -6.238 0.871 -5.904) 8.633 2.173 ( 4.200 10.902 4.514) 12.525 2.293 ( 14.067 19.094 2.891) 23.892 2.442 ( -8.414 5.531 1.789) 10.227 2.490 ( -2.329 1.308 -0.020) 2.672 2.583 ( -4.424 -0.993 0.578) 4.571 2.738 ( -2.530 1.712 3.601) 4.723 2.838 ( 1.326 -0.648 2.261) 2.700 2.940 ( -0.001 -4.172 -1.997) 4.625 3.046 ( -1.399 1.045 3.024) 3.492 3.158 ( 3.742 -2.864 -6.418) 7.962 3.254 ( -0.415 -12.531 1.071) 12.583 3.445 ( -4.319 -6.821 2.947) 8.595 3.490 ( 5.215 -8.304 -0.010) 9.806 3.526 ( -0.865 -2.199 -2.865) 3.713 3.656 ( 1.538 -1.800 -6.942) 7.335 3.802 ( -2.794 -4.669 -1.879) 5.756 3.843 ( 1.714 -4.998 -2.240) 5.738 3.955 ( -2.167 -0.375 2.352) 3.220 4.020 ( 2.518 1.563 2.159) 3.667 4.081 ( -5.415 -3.527 0.004) 6.463 4.109 ( 0.250 -1.256 3.017) 3.278 4.157 ( -2.436 4.916 -5.131) 7.512 4.404 ( 1.145 2.206 -1.387) 2.846 4.656 ( -4.414 5.718 -1.184) 7.319 4.761 ( -1.661 4.281 -1.314) 4.777 4.912 ( -3.395 -2.358 -0.000) 4.133 5.006 ( 1.385 -8.951 -2.871) 9.501 5.235 ( -3.881 0.960 6.850) 7.932 5.338 ( -1.052 -4.859 3.215) 5.921 5.428 ( -0.884 -0.584 -0.542) 1.190 5.523 ( -7.568 2.665 -1.036) 8.090 5.588 ( -5.605 -1.951 -2.615) 6.486 5.698 ( -4.642 0.370 5.422) 7.147 5.827 ( -0.587 -1.347 -2.767) 3.133 6.034 ( 0.708 -4.753 1.172) 4.946 6.251 ( -8.890 0.231 0.470) 8.906 6.473 ( 1.335 -1.925 -1.649) 2.865 6.564 ( -4.341 -1.509 0.403) 4.614 6.594 ( -3.261 -2.295 1.335) 4.205 6.663 ( -2.954 -4.701 0.366) 5.564 6.848 ( -2.862 -5.373 -0.123) 6.089 6.958 ( -1.162 -4.218 0.110) 4.377 7.091 ( 3.531 -2.131 -2.086) 4.622 7.249 ( 3.633 -0.355 -1.971) 4.149 7.300 ( 7.589 1.416 4.442) 8.907 7.445 ( 2.489 4.565 -4.991) 7.207 7.546 ( 8.583 1.982 1.395) 8.919 7.680 ( 5.130 2.312 0.083) 5.628 7.766 ( 8.939 2.454 -0.709) 9.297 8.412 ( 3.696 11.209 0.896) 11.837 8.508 ( 4.672 11.918 -0.359) 12.806 8.569 ( 8.930 9.647 0.467) 13.154 8.657 ( 11.862 8.094 -3.884) 14.876 9.143 ( -2.169 4.753 3.340) 6.201 9.323 ( 3.712 0.034 0.744) 3.786 9.461 ( 2.894 -0.928 -3.553) 4.676 9.548 ( 3.360 1.765 -3.520) 5.176 10.002 ( -3.621 1.790 3.447) 5.310 10.106 ( -0.997 1.405 2.657) 3.167 10.361 ( -3.893 -0.038 1.329) 4.114 10.437 ( -1.249 -1.436 0.128) 1.907 10.604 ( -2.933 5.022 6.247) 8.535 10.769 ( 1.724 -0.382 7.488) 7.693 10.980 ( 1.663 -3.379 -7.703) 8.574 11.065 ( -1.683 1.117 -4.027) 4.505 11.248 ( -1.946 -1.933 -8.107) 8.558 11.317 ( -1.151 -2.657 -5.405) 6.132 11.580 ( -8.053 0.160 0.680) 8.083 11.696 ( -4.502 1.717 4.796) 6.799 11.797 ( 1.162 -4.416 5.615) 7.237 12.125 ( -6.373 -2.274 -4.416) 8.080 13.499 ( -5.263 -4.437 -0.011) 6.884 13.580 ( 3.571 -3.910 3.565) 6.384 13.975 ( 1.392 7.197 0.545) 7.351 14.094 ( 0.395 -1.606 -3.074) 3.491 14.424 ( -3.755 10.373 -1.881) 11.191 14.572 ( 0.075 4.950 6.664) 8.302 14.787 ( -5.588 2.979 3.956) 7.467 15.065 ( 0.673 -6.592 1.557) 6.807 15.610 ( -1.337 -1.945 1.917) 3.041 16.047 ( 16.823 -3.358 2.092) 17.282 17.010 ( 1.181 8.632 -0.530) 8.729 17.368 ( 10.223 15.266 -8.852) 20.394 18.095 ( 7.029 -7.397 19.328) 21.856 18.582 ( -5.114 -12.869 -19.172) 23.650 20.188 ( -2.258 -1.146 18.726) 18.896 20.672 ( -15.664 -1.048 -15.033) 21.736 21.230 ( 4.423 1.728 1.322) 4.929 21.380 ( 2.236 -0.864 -5.198) 5.724 21.954 ( -2.383 0.779 -0.039) 2.507 21.975 ( -1.397 0.925 -0.249) 1.694 ======================= Grid point 79 (37/75) ======================= q-point: ( 0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 8.204 17.122 5.877) 19.875 1.590 ( 7.819 8.745 17.549) 21.109 1.677 ( 7.061 11.627 -6.948) 15.275 1.794 ( 3.346 6.186 -7.285) 10.126 1.934 ( -0.799 0.649 -8.090) 8.156 2.215 ( -6.219 3.963 -2.682) 7.847 2.358 ( -4.734 4.340 -3.064) 7.116 2.395 ( 1.167 4.357 10.047) 11.013 2.477 ( -6.740 2.948 1.187) 7.452 2.588 ( 11.077 2.892 0.413) 11.456 2.746 ( 1.884 6.812 5.218) 8.786 2.877 ( 2.564 -2.528 1.625) 3.950 2.964 ( 5.183 0.747 -1.546) 5.460 3.064 ( 3.835 4.068 -2.446) 6.102 3.146 ( 0.260 -2.076 -2.729) 3.439 3.300 ( -1.497 -5.000 3.087) 6.064 3.348 ( -3.489 -4.663 -4.221) 7.192 3.463 ( -1.072 -10.668 1.919) 10.892 3.596 ( 4.428 -3.335 2.115) 5.933 3.640 ( -2.783 -6.731 -5.262) 8.986 3.779 ( -2.160 2.906 2.002) 4.137 3.853 ( 1.380 -3.451 -5.274) 6.452 3.903 ( -4.664 -4.707 1.962) 6.910 3.966 ( -3.974 -3.457 3.465) 6.304 4.046 ( -6.002 1.821 -4.604) 7.781 4.077 ( 2.651 2.288 0.011) 3.502 4.174 ( 3.693 -3.387 1.532) 5.240 4.371 ( -2.489 4.011 -5.167) 6.999 4.583 ( -4.430 3.486 3.124) 6.445 4.719 ( -1.592 3.445 -0.921) 3.905 4.905 ( 1.479 1.107 1.978) 2.707 5.004 ( -0.025 -7.620 -2.349) 7.974 5.171 ( -6.339 0.178 4.302) 7.663 5.279 ( -8.821 -2.606 -9.805) 13.444 5.342 ( -1.092 -0.626 2.306) 2.627 5.384 ( -2.391 0.902 -3.260) 4.142 5.594 ( -1.342 0.050 9.822) 9.913 5.657 ( -2.753 0.850 3.370) 4.433 5.822 ( 1.972 -2.638 -1.419) 3.586 5.997 ( -3.832 -6.106 -0.992) 7.277 6.122 ( -6.493 3.648 0.928) 7.505 6.334 ( -12.087 3.457 -0.659) 12.588 6.539 ( 2.322 -2.092 -2.744) 4.159 6.597 ( -2.701 -1.669 -3.380) 4.637 6.622 ( 1.940 -8.585 3.989) 9.663 6.808 ( -2.245 -7.875 1.969) 8.423 6.989 ( 3.364 -1.971 1.828) 4.306 7.104 ( -0.790 2.792 0.553) 2.954 7.349 ( 7.654 0.853 -3.753) 8.567 7.457 ( 5.136 1.059 2.540) 5.827 7.487 ( 7.161 -0.455 -2.637) 7.644 7.642 ( 1.244 1.679 -0.461) 2.140 7.727 ( 1.864 2.933 -1.191) 3.674 7.913 ( 3.583 -0.124 1.044) 3.734 8.564 ( 11.554 7.971 2.562) 14.269 8.633 ( 8.964 11.411 -0.100) 14.512 8.743 ( 10.245 8.627 -1.156) 13.443 8.831 ( 8.364 8.791 -4.138) 12.820 9.120 ( -1.842 3.928 2.006) 4.780 9.419 ( 5.762 -1.231 0.458) 5.910 9.514 ( 4.606 -1.004 -2.595) 5.381 9.595 ( 4.268 -0.008 -3.022) 5.229 9.942 ( -4.300 1.328 2.149) 4.987 10.080 ( -3.011 1.335 0.973) 3.435 10.286 ( -4.293 -0.840 0.142) 4.376 10.394 ( -3.573 -2.323 -0.269) 4.270 10.605 ( -2.308 4.816 9.019) 10.482 10.843 ( 1.721 -0.262 7.250) 7.456 10.937 ( -1.256 0.645 -6.321) 6.477 11.020 ( 0.776 1.440 -6.805) 6.999 11.184 ( -0.949 -2.458 -2.897) 3.916 11.295 ( 1.618 -4.735 -5.496) 7.432 11.419 ( -9.190 1.939 0.900) 9.436 11.640 ( -5.014 -0.525 3.987) 6.427 11.825 ( -2.393 -4.759 3.552) 6.403 11.973 ( -7.023 0.552 -0.507) 7.063 13.301 ( -10.663 -0.875 -3.621) 11.295 13.674 ( 2.579 5.020 -0.812) 5.702 13.977 ( -0.418 8.828 -0.914) 8.885 14.168 ( 6.140 -3.249 -3.023) 7.576 14.389 ( 0.118 7.003 3.505) 7.832 14.576 ( -2.409 5.176 2.752) 6.338 14.740 ( -1.183 0.297 8.359) 8.447 15.059 ( -2.809 -12.602 1.946) 13.057 15.584 ( -1.908 -4.977 -1.633) 5.574 16.372 ( 16.152 -9.793 0.099) 18.889 17.060 ( 4.413 7.561 0.723) 8.784 17.505 ( 10.484 16.934 -8.035) 21.477 18.118 ( -8.109 -2.124 -3.545) 9.101 18.662 ( 15.513 -20.731 9.038) 27.424 20.082 ( -17.206 6.114 -5.163) 18.976 20.302 ( -15.071 -0.180 1.584) 15.155 21.349 ( 8.248 1.457 -0.134) 8.377 21.458 ( 7.129 -0.215 -0.732) 7.170 21.894 ( -4.304 1.422 0.114) 4.535 21.933 ( -3.212 1.620 -0.118) 3.600 ======================= Grid point 80 (38/75) ======================= q-point: ( 0.43 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -7.686 9.757 -2.016) 12.583 1.768 ( -0.893 5.346 10.907) 12.179 1.801 ( 1.891 4.153 -8.678) 9.805 1.853 ( 11.885 10.101 2.919) 15.868 1.919 ( 2.237 3.872 -5.055) 6.749 2.109 ( 0.106 4.612 5.620) 7.271 2.252 ( -1.779 3.240 -3.962) 5.419 2.381 ( -2.655 6.279 4.936) 8.417 2.457 ( -5.346 6.458 6.533) 10.629 2.722 ( 4.722 -1.981 1.852) 5.446 2.780 ( 1.219 -5.277 -4.274) 6.899 2.983 ( 5.585 -4.386 0.052) 7.102 3.055 ( 1.672 -5.011 -2.629) 5.900 3.137 ( 0.117 4.209 -2.150) 4.728 3.183 ( 4.816 4.110 0.528) 6.353 3.251 ( 2.868 -0.142 -1.424) 3.205 3.304 ( 0.853 4.560 -0.305) 4.649 3.474 ( -11.176 -1.241 -4.934) 12.279 3.531 ( 3.104 -8.615 5.947) 10.919 3.666 ( 1.468 -1.595 2.849) 3.581 3.708 ( -1.439 1.041 3.924) 4.307 3.775 ( -7.210 -7.941 -1.520) 10.833 3.872 ( -4.423 -1.201 -0.978) 4.686 3.924 ( 1.939 -3.391 -5.900) 7.076 4.011 ( 3.118 -5.623 4.100) 7.626 4.143 ( 4.595 3.434 -0.860) 5.801 4.220 ( -0.533 -1.733 0.304) 1.838 4.289 ( -1.588 3.172 -7.502) 8.298 4.533 ( -2.045 2.818 3.370) 4.846 4.703 ( -0.705 2.022 -0.677) 2.246 4.940 ( -0.558 4.710 0.673) 4.790 4.972 ( -2.883 2.318 -0.939) 3.816 5.067 ( -2.330 -9.120 -2.298) 9.689 5.160 ( -1.322 -6.968 -0.109) 7.093 5.296 ( -1.601 4.096 -6.061) 7.488 5.398 ( 3.009 0.012 3.405) 4.544 5.620 ( -2.568 1.704 8.877) 9.397 5.650 ( 0.373 -0.888 3.349) 3.484 5.867 ( 2.580 -2.634 -1.500) 3.981 5.917 ( -4.469 -2.949 -1.596) 5.587 6.034 ( -1.249 1.249 -1.780) 2.508 6.130 ( -9.192 1.949 -1.233) 9.477 6.538 ( -2.005 -1.370 -1.565) 2.889 6.568 ( 2.651 -1.074 -2.024) 3.504 6.709 ( 4.292 -8.742 3.172) 10.243 6.777 ( -2.381 -10.601 2.464) 11.141 7.055 ( 1.272 -0.168 0.818) 1.521 7.089 ( -0.310 4.610 1.424) 4.834 7.427 ( 2.506 4.175 -1.615) 5.130 7.540 ( 4.205 1.343 -1.358) 4.618 7.612 ( 3.238 -2.518 2.645) 4.880 7.633 ( 0.054 4.052 -2.755) 4.900 7.738 ( 2.248 0.776 -1.278) 2.699 7.901 ( -3.849 -1.363 -0.220) 4.089 8.764 ( 5.808 11.507 0.790) 12.914 8.784 ( 6.086 7.621 3.261) 10.284 8.869 ( 0.162 6.838 -1.213) 6.947 8.897 ( 5.408 9.211 -1.368) 10.768 9.122 ( 2.347 2.772 0.027) 3.632 9.486 ( 1.739 -1.170 -3.692) 4.245 9.581 ( 3.154 -1.738 0.631) 3.656 9.643 ( 1.387 -3.331 -2.365) 4.315 9.895 ( -1.984 1.073 2.226) 3.169 10.026 ( -2.369 2.371 -0.739) 3.432 10.245 ( 0.200 -2.091 0.432) 2.145 10.319 ( -3.743 -3.248 -0.624) 4.994 10.618 ( -2.499 3.954 9.724) 10.790 10.890 ( -0.235 1.873 0.480) 1.948 10.910 ( 0.836 0.265 -1.002) 1.332 11.009 ( 1.497 1.708 -0.877) 2.435 11.180 ( 1.780 0.268 -3.257) 3.721 11.237 ( -4.061 1.477 -5.659) 7.120 11.360 ( 2.541 -6.160 1.283) 6.786 11.554 ( -4.172 -3.039 -4.126) 6.608 11.773 ( -4.478 -2.368 7.022) 8.658 11.900 ( -2.619 1.408 0.282) 2.986 13.165 ( -2.383 4.752 1.378) 5.491 13.649 ( -2.011 4.635 -10.538) 11.686 13.951 ( -0.604 12.438 -1.990) 12.610 14.202 ( 2.924 8.413 -9.768) 13.219 14.465 ( 0.765 1.316 12.708) 12.799 14.548 ( -4.244 -5.834 8.170) 10.899 14.840 ( 6.265 -3.632 5.837) 9.301 15.019 ( -2.581 -12.840 3.604) 13.583 15.551 ( -0.354 -8.307 0.911) 8.364 16.489 ( -1.011 -12.220 -11.587) 16.870 17.156 ( 3.885 3.943 2.421) 6.041 17.620 ( 6.185 8.326 -10.931) 15.069 18.051 ( 4.148 9.539 9.819) 14.304 18.923 ( 1.217 -23.645 3.379) 23.917 19.771 ( -2.449 14.576 -6.427) 16.117 20.090 ( -12.868 0.126 2.015) 13.026 21.498 ( 7.670 -0.032 -0.289) 7.675 21.562 ( 2.434 -1.220 0.127) 2.726 21.822 ( -2.612 2.903 0.400) 3.925 21.868 ( -3.321 2.762 -0.086) 4.320 ======================= Grid point 81 (39/75) ======================= q-point: (-0.43 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -10.660 10.114 2.775) 14.954 1.606 ( -14.540 11.515 1.346) 18.596 1.785 ( 2.208 1.900 -6.723) 7.327 2.011 ( 7.472 3.224 -0.535) 8.155 2.080 ( 9.552 5.721 2.857) 11.495 2.178 ( -1.749 5.293 -2.608) 6.154 2.289 ( 6.784 5.154 9.041) 12.423 2.382 ( -2.880 7.056 1.102) 7.701 2.459 ( 6.277 5.387 5.576) 9.975 2.709 ( -5.595 -1.448 -6.784) 8.912 2.783 ( 0.925 -6.893 3.389) 7.737 2.968 ( -7.479 2.559 -4.024) 8.870 3.030 ( -7.351 6.329 2.193) 9.945 3.061 ( -9.225 5.041 2.523) 10.811 3.120 ( -1.770 -1.514 -5.625) 6.088 3.193 ( -3.733 -7.003 -1.981) 8.180 3.371 ( 6.400 -2.461 0.192) 6.860 3.492 ( 8.021 1.395 1.036) 8.207 3.623 ( 3.504 -4.561 6.242) 8.487 3.651 ( -4.646 -9.266 -1.468) 10.469 3.699 ( -1.972 -7.041 -1.586) 7.482 3.786 ( 4.968 -4.839 0.557) 6.957 3.829 ( 4.773 -0.506 2.856) 5.586 3.961 ( 3.212 -2.843 -2.578) 5.004 4.075 ( 1.520 -1.063 0.171) 1.863 4.158 ( -0.488 -0.844 -0.304) 1.021 4.196 ( -2.059 3.521 -6.984) 8.088 4.266 ( 4.659 2.659 -1.399) 5.543 4.578 ( 3.745 0.975 3.719) 5.367 4.649 ( -3.013 5.242 -4.922) 7.796 4.873 ( -4.090 0.967 3.034) 5.183 4.958 ( 1.028 3.798 -0.257) 3.943 5.095 ( 3.146 -8.977 -0.463) 9.524 5.161 ( 1.308 -5.593 -1.270) 5.883 5.268 ( 1.787 3.246 -2.176) 4.297 5.486 ( 3.956 0.423 1.886) 4.403 5.616 ( -1.835 1.768 5.376) 5.950 5.696 ( 1.571 -0.581 4.324) 4.637 5.813 ( -4.529 -2.817 -3.579) 6.423 5.904 ( 4.281 -0.925 -1.688) 4.694 5.973 ( -4.571 1.168 -0.122) 4.720 6.132 ( 8.673 0.771 -0.931) 8.757 6.498 ( -1.888 -3.111 -0.524) 3.677 6.608 ( 2.689 -0.317 -1.880) 3.296 6.729 ( -2.101 -6.137 2.231) 6.859 6.826 ( 4.624 -12.050 1.991) 13.059 7.025 ( -3.563 1.527 1.565) 4.181 7.116 ( 0.786 1.945 0.296) 2.119 7.417 ( -3.738 2.694 0.986) 4.712 7.534 ( -2.798 3.353 -0.505) 4.396 7.579 ( -2.739 1.324 -4.114) 5.117 7.693 ( 4.463 0.852 -0.303) 4.554 7.758 ( -4.322 0.905 0.886) 4.504 7.858 ( 2.368 -1.374 -1.145) 2.967 8.730 ( -9.275 8.084 2.083) 12.479 8.779 ( -5.130 10.713 0.912) 11.913 8.855 ( -2.773 10.019 -1.586) 10.516 8.974 ( 2.330 5.288 0.192) 5.782 9.186 ( 1.671 1.770 2.363) 3.393 9.449 ( -0.929 -0.434 -6.937) 7.012 9.565 ( -6.156 -2.572 -1.126) 6.767 9.625 ( -0.716 -4.288 0.026) 4.347 9.910 ( 1.703 0.834 2.996) 3.545 9.990 ( -1.507 3.395 -1.150) 3.889 10.241 ( -0.750 -1.504 0.395) 1.726 10.333 ( 5.035 -4.144 0.247) 6.526 10.631 ( -2.112 2.156 8.129) 8.671 10.845 ( -6.233 4.678 0.874) 7.842 10.918 ( 3.173 0.514 -1.926) 3.747 11.082 ( 3.827 -1.617 2.221) 4.711 11.124 ( -0.033 4.887 -7.312) 8.795 11.268 ( 6.314 -2.266 1.396) 6.852 11.448 ( 6.329 -6.030 -0.614) 8.763 11.480 ( 0.658 -2.572 -7.169) 7.645 11.781 ( 0.581 0.149 6.764) 6.790 11.862 ( -1.566 1.216 0.539) 2.054 13.239 ( 7.100 5.047 5.031) 10.060 13.499 ( -4.632 4.192 -13.705) 15.062 13.956 ( 1.756 14.103 -1.379) 14.278 14.177 ( 0.529 8.938 -8.936) 12.650 14.485 ( -5.814 -4.662 8.401) 11.230 14.569 ( 0.426 -4.695 13.241) 14.055 14.980 ( 5.713 -2.077 2.507) 6.576 15.009 ( -0.386 -10.888 0.862) 10.929 15.600 ( 0.591 -13.666 11.287) 17.734 16.254 ( -12.284 -11.123 -17.997) 24.464 17.194 ( -1.483 3.556 3.786) 5.402 17.568 ( -2.316 3.767 -13.336) 14.050 18.304 ( 2.124 13.696 17.078) 21.994 18.758 ( -3.242 -13.410 -4.837) 14.619 19.847 ( -10.664 2.226 -6.009) 12.441 20.027 ( 23.160 5.632 3.033) 24.027 21.496 ( -8.071 -0.382 -0.242) 8.083 21.566 ( -1.417 -0.913 0.061) 1.687 21.827 ( 2.446 3.110 0.525) 3.991 21.870 ( 3.761 2.694 -0.198) 4.631 ======================= Grid point 82 (40/75) ======================= q-point: (-0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -9.177 13.054 9.178) 18.408 1.373 ( -12.335 18.217 2.531) 22.145 1.793 ( 1.647 0.472 -4.727) 5.028 2.018 ( -7.715 8.474 -7.684) 13.797 2.133 ( 2.238 4.639 2.198) 5.600 2.230 ( 1.340 6.467 1.643) 6.806 2.325 ( -1.471 5.473 -3.199) 6.508 2.467 ( 4.254 4.831 4.021) 7.589 2.550 ( 1.984 2.574 -2.659) 4.199 2.622 ( -10.884 18.682 7.734) 22.963 2.667 ( -5.430 9.860 1.881) 11.413 2.793 ( -2.385 -9.450 2.140) 9.979 2.958 ( 0.933 1.128 -1.703) 2.246 2.992 ( -1.141 1.666 2.765) 3.424 3.152 ( 2.850 -8.949 -3.654) 10.077 3.175 ( 3.537 -8.876 -3.173) 10.068 3.426 ( 0.682 -6.895 -0.783) 6.973 3.536 ( -2.746 -4.019 -0.503) 4.893 3.578 ( -5.256 -10.813 0.433) 12.030 3.666 ( 1.726 -4.320 1.792) 4.986 3.771 ( 7.720 0.878 2.575) 8.186 3.831 ( 2.590 -10.201 -1.660) 10.655 3.942 ( 2.509 -2.078 0.837) 3.364 4.002 ( 2.546 -1.857 -0.190) 3.157 4.060 ( -3.940 1.664 -3.065) 5.262 4.115 ( 2.822 1.826 -2.775) 4.359 4.235 ( 4.278 2.148 -3.120) 5.714 4.309 ( 1.077 0.018 -3.690) 3.844 4.606 ( 2.893 8.574 0.542) 9.065 4.687 ( 4.995 -0.766 1.980) 5.427 4.859 ( 0.464 3.737 3.447) 5.105 4.990 ( 2.108 -1.778 -0.700) 2.845 5.108 ( -0.332 -7.367 0.715) 7.409 5.236 ( 7.090 -1.997 -1.010) 7.435 5.311 ( 3.442 0.946 -1.387) 3.830 5.525 ( 0.448 -1.001 -0.784) 1.348 5.644 ( 1.275 2.331 6.009) 6.570 5.705 ( -1.805 -4.087 -4.703) 6.487 5.777 ( 2.171 0.819 3.937) 4.570 5.918 ( -0.721 -1.505 0.359) 1.707 6.054 ( 10.912 1.156 0.658) 10.993 6.313 ( 10.959 2.417 -0.564) 11.236 6.474 ( -0.022 -2.963 -0.544) 3.013 6.619 ( -0.539 -3.510 -0.446) 3.580 6.739 ( 3.169 -1.470 -0.615) 3.547 6.897 ( 1.537 -12.365 0.869) 12.491 6.956 ( -5.854 -1.963 3.080) 6.899 7.110 ( -0.896 1.798 -0.797) 2.161 7.314 ( -7.756 -0.792 1.005) 7.861 7.457 ( -3.784 3.774 -4.625) 7.068 7.517 ( -2.900 -1.947 0.311) 3.507 7.665 ( -4.504 4.562 -0.500) 6.430 7.738 ( 0.211 2.371 -1.523) 2.826 7.874 ( -2.619 0.424 1.534) 3.065 8.560 ( -10.397 8.696 2.809) 13.843 8.640 ( -8.868 9.909 -0.206) 13.299 8.750 ( -9.086 9.470 0.429) 13.131 8.882 ( -11.159 2.381 -6.213) 12.992 9.191 ( -2.103 2.947 4.204) 5.549 9.393 ( -3.091 0.893 -2.512) 4.082 9.460 ( -1.445 -0.595 -4.896) 5.140 9.593 ( -2.587 -1.482 -0.267) 2.993 9.955 ( 0.001 3.304 0.195) 3.310 9.979 ( 1.696 0.133 4.476) 4.789 10.271 ( 3.663 -0.056 -0.226) 3.671 10.423 ( 3.687 -3.353 1.477) 5.198 10.632 ( -2.134 -0.206 5.062) 5.497 10.748 ( -4.745 7.608 2.015) 9.190 10.960 ( 2.730 -1.338 -3.576) 4.694 11.083 ( 1.156 -0.795 -3.785) 4.036 11.188 ( 4.380 -0.877 1.702) 4.781 11.413 ( 8.458 -1.076 -1.184) 8.608 11.472 ( 3.106 -4.577 -5.625) 7.889 11.585 ( 7.475 -1.896 -1.117) 7.792 11.852 ( 3.024 1.458 3.841) 5.101 11.883 ( 4.330 2.392 3.249) 5.918 13.282 ( -2.832 4.164 -6.371) 8.121 13.521 ( 11.289 -1.651 2.433) 11.666 13.973 ( 0.831 11.833 -1.714) 11.986 14.124 ( -1.820 7.226 -4.566) 8.739 14.424 ( -4.597 -3.279 5.118) 7.621 14.675 ( 3.155 -2.205 10.625) 11.301 14.959 ( -3.800 -19.816 -3.773) 20.527 15.097 ( 3.593 12.565 3.032) 13.416 15.604 ( -9.057 -14.469 10.509) 20.046 15.977 ( -7.198 -9.151 -8.535) 14.436 17.159 ( -4.731 6.307 3.922) 8.806 17.420 ( -4.534 6.531 -13.272) 15.471 18.095 ( -18.725 2.725 1.629) 18.993 19.028 ( 17.641 -11.828 9.352) 23.207 19.624 ( -7.189 9.930 -6.663) 13.953 20.507 ( 26.647 1.366 -0.368) 26.684 21.332 ( -8.967 0.768 -0.181) 9.002 21.490 ( -4.992 0.053 -0.768) 5.051 21.899 ( 4.339 1.705 0.091) 4.663 21.937 ( 3.211 1.788 -0.171) 3.679 ======================= Grid point 83 (41/75) ======================= q-point: (-0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -5.239 15.933 13.370) 21.449 1.202 ( -9.124 21.649 4.991) 24.018 1.713 ( -10.499 5.324 -3.931) 12.411 1.840 ( -0.470 7.474 -10.554) 12.941 2.096 ( -8.259 26.387 3.383) 27.856 2.183 ( -1.415 6.306 -2.759) 7.027 2.310 ( -0.210 9.578 1.401) 9.682 2.443 ( -4.547 6.646 -3.768) 8.891 2.545 ( 5.805 4.197 1.158) 7.256 2.592 ( -1.987 2.834 6.575) 7.430 2.722 ( -0.546 4.401 6.451) 7.828 2.790 ( 2.073 -8.469 0.474) 8.732 2.968 ( 0.535 -1.967 -1.893) 2.782 2.997 ( -0.328 -3.511 0.599) 3.577 3.187 ( 2.151 -6.601 -1.098) 7.029 3.253 ( 6.122 -8.098 -3.949) 10.893 3.414 ( -1.629 -8.482 1.310) 8.736 3.461 ( -3.517 -6.797 -2.180) 7.957 3.505 ( -1.208 -8.502 -1.025) 8.648 3.712 ( 2.268 -2.267 -0.251) 3.217 3.865 ( 1.541 -4.611 -0.232) 4.868 3.885 ( 4.154 -2.385 -2.509) 5.407 3.951 ( -4.888 -0.365 -3.442) 5.989 3.962 ( -0.410 -1.013 2.936) 3.133 4.051 ( 1.993 -0.270 1.676) 2.618 4.174 ( 3.378 1.014 -4.005) 5.336 4.239 ( -1.263 3.214 -0.993) 3.593 4.306 ( 3.437 0.954 -4.538) 5.772 4.713 ( 3.538 6.423 1.197) 7.430 4.759 ( 3.990 3.576 -0.199) 5.361 4.926 ( 3.019 -1.640 3.200) 4.696 5.003 ( 1.580 -5.335 -3.599) 6.626 5.143 ( 1.155 -3.706 8.693) 9.521 5.331 ( 3.278 -7.003 -5.649) 9.576 5.371 ( 4.330 -0.399 -2.144) 4.849 5.548 ( 1.355 0.908 3.599) 3.951 5.686 ( 6.285 -2.549 -5.503) 8.734 5.713 ( 0.108 0.227 9.787) 9.791 5.839 ( 2.093 2.720 0.377) 3.453 5.924 ( 1.356 -2.964 -1.386) 3.542 6.256 ( 9.779 -0.234 0.945) 9.828 6.427 ( 0.860 -1.625 -0.782) 1.998 6.532 ( 6.307 2.030 -0.926) 6.690 6.637 ( 3.195 -5.252 2.367) 6.587 6.793 ( -3.297 -4.947 0.215) 5.948 6.858 ( 1.747 -1.540 0.264) 2.344 6.902 ( -1.092 -8.444 -0.793) 8.551 7.087 ( -1.607 -2.486 -3.042) 4.245 7.181 ( -6.457 -1.718 2.413) 7.105 7.374 ( -2.182 3.746 -3.748) 5.731 7.483 ( -2.734 -1.815 3.735) 4.972 7.562 ( -7.152 4.739 -1.391) 8.692 7.667 ( -7.114 3.849 -4.989) 9.503 7.782 ( -6.948 2.024 3.000) 7.834 8.430 ( -5.640 10.419 2.438) 12.096 8.472 ( -9.015 10.600 -1.994) 14.058 8.567 ( -7.466 9.118 -0.673) 11.804 8.642 ( -9.211 7.833 -3.381) 12.555 9.171 ( -2.610 4.126 3.781) 6.175 9.328 ( -2.682 1.490 -0.474) 3.104 9.445 ( 1.901 1.003 -4.377) 4.876 9.539 ( -2.126 0.270 -2.127) 3.019 9.974 ( 1.391 4.614 2.771) 5.559 10.042 ( 1.419 -0.833 5.472) 5.714 10.343 ( 3.795 0.168 0.075) 3.799 10.464 ( -0.107 -1.958 1.295) 2.350 10.633 ( -0.776 -0.117 5.432) 5.488 10.698 ( -2.641 6.191 2.031) 7.031 10.974 ( 2.710 -2.164 -7.053) 7.860 11.093 ( 0.721 -2.198 -0.006) 2.313 11.264 ( 3.374 -1.090 0.019) 3.546 11.471 ( 2.994 -1.798 -12.386) 12.869 11.557 ( 6.573 -3.213 1.509) 7.470 11.656 ( 0.356 -2.658 3.156) 4.141 11.888 ( -1.497 1.470 2.369) 3.164 12.069 ( 12.638 1.568 -1.646) 12.840 13.251 ( 2.319 1.979 1.015) 3.213 13.696 ( 3.612 -10.604 2.393) 11.455 13.959 ( -1.975 8.106 -1.458) 8.470 14.085 ( 2.129 4.228 -2.719) 5.460 14.421 ( 2.007 2.827 3.474) 4.908 14.780 ( 1.934 0.656 5.545) 5.909 14.799 ( -12.731 -11.200 -0.196) 16.958 15.097 ( -4.781 7.077 3.121) 9.093 15.563 ( 3.508 -1.111 5.394) 6.530 15.835 ( -8.863 -6.605 1.136) 11.111 17.087 ( -5.012 8.947 2.237) 10.496 17.289 ( -0.955 9.909 -11.645) 15.320 17.864 ( -8.966 -1.995 7.867) 12.094 19.116 ( -4.760 -17.198 -18.440) 25.660 19.706 ( 10.499 11.988 20.691) 26.116 20.869 ( 13.585 -2.436 -6.766) 15.371 21.208 ( -4.605 1.181 0.927) 4.844 21.435 ( 1.707 -1.810 -5.656) 6.179 21.960 ( 2.400 0.887 -0.371) 2.585 21.977 ( 1.404 1.267 -0.175) 1.899 ======================= Grid point 84 (42/75) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.795 13.120 9.919) 16.467 1.558 ( 1.001 17.940 3.861) 18.378 1.744 ( 1.085 7.791 -2.126) 8.148 1.945 ( 0.588 6.322 -4.391) 7.720 2.174 ( -2.472 -1.144 -7.570) 8.046 2.345 ( -3.715 2.571 -7.969) 9.161 2.396 ( 3.719 -3.836 -1.427) 5.530 2.453 ( 1.337 4.660 -4.017) 6.296 2.638 ( -1.004 3.649 2.473) 4.521 2.729 ( 1.425 0.429 0.996) 1.791 2.815 ( -3.057 2.978 6.990) 8.189 2.879 ( -1.761 7.473 1.350) 7.796 2.922 ( -3.292 11.843 0.241) 12.294 3.002 ( -1.362 -4.284 1.915) 4.886 3.047 ( 0.357 0.822 1.962) 2.157 3.136 ( -1.644 -6.858 -2.969) 7.651 3.204 ( 4.173 -7.985 0.857) 9.050 3.337 ( -1.122 -6.220 3.391) 7.173 3.397 ( 7.435 -4.810 4.026) 9.727 3.653 ( -0.266 -5.901 -4.316) 7.315 3.784 ( -3.321 -4.036 -8.181) 9.708 3.827 ( -4.234 -0.949 -5.148) 6.733 3.915 ( 3.880 0.431 3.954) 5.556 3.967 ( 0.698 -0.572 6.527) 6.589 4.122 ( -0.349 3.720 1.570) 4.052 4.209 ( -0.793 5.302 -2.234) 5.808 4.318 ( 0.119 5.201 -0.168) 5.205 4.412 ( 2.197 3.030 -3.082) 4.849 4.718 ( 0.278 -6.861 -0.211) 6.870 4.795 ( -2.545 -4.289 -8.270) 9.657 4.917 ( 1.384 1.407 7.633) 7.884 4.969 ( -2.488 2.331 0.210) 3.416 5.157 ( 2.353 -4.528 3.032) 5.936 5.182 ( 0.407 -6.537 4.958) 8.215 5.385 ( 2.267 -1.883 -2.514) 3.873 5.584 ( -0.854 -0.396 2.686) 2.846 5.661 ( -0.478 -5.092 -5.945) 7.843 5.734 ( -1.888 0.600 5.525) 5.870 5.844 ( 3.189 -4.933 -3.848) 7.022 5.897 ( -1.062 0.277 -1.516) 1.872 6.327 ( 0.642 -0.392 1.371) 1.564 6.432 ( -0.638 2.851 -1.705) 3.383 6.545 ( -1.973 -5.179 1.776) 5.820 6.592 ( -6.017 -2.767 -0.633) 6.652 6.649 ( 3.397 -5.654 1.100) 6.687 6.738 ( 4.761 -5.792 0.304) 7.504 6.886 ( -6.580 -1.227 -1.260) 6.811 6.954 ( 5.503 -2.056 -1.830) 6.153 7.260 ( 3.586 5.317 3.818) 7.464 7.377 ( -4.929 2.545 0.146) 5.549 7.494 ( 2.176 4.195 -0.342) 4.738 7.571 ( -3.270 4.997 -2.970) 6.669 7.610 ( 0.781 2.292 0.312) 2.441 7.773 ( 0.218 1.156 -1.576) 1.967 8.582 ( -1.086 7.121 2.187) 7.529 8.637 ( 3.349 9.556 0.278) 10.130 8.666 ( 0.075 5.233 -0.665) 5.275 8.700 ( -0.020 6.759 -1.445) 6.911 9.251 ( -0.523 5.083 1.666) 5.375 9.337 ( -1.217 2.390 -1.822) 3.242 9.455 ( -0.210 2.153 1.498) 2.631 9.572 ( 1.666 2.509 -2.793) 4.108 10.060 ( -0.026 2.633 2.092) 3.363 10.117 ( 1.053 1.343 2.298) 2.862 10.394 ( 0.941 0.629 -0.161) 1.143 10.425 ( -1.265 -0.834 1.513) 2.141 10.693 ( 0.606 1.026 8.312) 8.398 10.745 ( -2.879 3.650 -2.193) 5.140 10.913 ( 1.511 -3.587 -4.315) 5.811 11.035 ( 0.028 -4.116 -0.469) 4.143 11.263 ( 0.516 -2.190 -5.920) 6.333 11.327 ( -1.152 -5.986 -9.813) 11.552 11.585 ( 1.961 -2.022 8.238) 8.706 11.694 ( 1.240 1.221 3.471) 3.883 11.824 ( -5.904 -0.019 -0.471) 5.923 12.110 ( 0.847 -6.142 -4.547) 7.689 13.307 ( 4.926 -4.602 2.944) 7.356 13.434 ( -4.522 -9.901 -0.806) 10.915 14.052 ( 1.060 5.269 1.529) 5.588 14.143 ( 1.551 0.117 0.615) 1.673 14.606 ( 0.913 3.744 2.779) 4.752 14.624 ( -3.785 1.346 0.903) 4.118 14.914 ( 0.987 9.417 8.024) 12.412 15.128 ( -2.791 2.240 2.776) 4.529 15.721 ( -1.430 4.184 1.851) 4.793 15.934 ( 5.004 19.244 2.996) 20.109 16.984 ( -2.374 -10.013 2.221) 10.527 17.515 ( 6.087 9.608 -9.678) 14.935 17.856 ( 0.548 2.464 6.983) 7.425 18.475 ( -6.454 -24.455 -18.967) 31.614 20.178 ( 2.786 12.729 15.707) 20.408 20.830 ( -0.979 -5.444 -8.910) 10.488 21.191 ( 0.100 0.230 1.472) 1.494 21.322 ( 0.345 -5.091 -4.139) 6.570 21.988 ( -0.129 0.483 -0.094) 0.509 22.002 ( -0.114 0.466 -0.358) 0.598 ======================= Grid point 85 (43/75) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.838 10.132 10.935) 15.673 1.688 ( 8.995 17.659 5.371) 20.533 1.818 ( 8.284 9.712 -4.870) 13.663 1.941 ( 0.986 6.783 -4.943) 8.451 2.065 ( -5.243 2.747 -6.263) 8.617 2.295 ( 3.757 0.917 -4.924) 6.261 2.436 ( -1.229 -1.842 -4.783) 5.271 2.444 ( 3.260 -2.568 -3.662) 5.535 2.591 ( -5.326 4.684 0.211) 7.096 2.664 ( -7.157 4.998 3.328) 9.342 2.786 ( -2.634 0.887 3.235) 4.265 2.850 ( -1.621 0.916 3.512) 3.975 2.923 ( -0.988 -3.770 2.400) 4.577 3.045 ( 5.970 2.003 1.916) 6.582 3.084 ( 1.871 -0.276 0.474) 1.950 3.150 ( 3.924 2.973 -0.752) 4.980 3.238 ( -1.581 -10.307 0.605) 10.445 3.388 ( 3.777 -3.627 8.082) 9.630 3.478 ( -2.348 -2.678 -4.761) 5.946 3.610 ( -1.106 -1.755 0.894) 2.259 3.660 ( -2.440 -8.379 -5.879) 10.523 3.768 ( 2.020 -0.690 -7.603) 7.897 3.990 ( -1.063 -2.719 5.922) 6.602 4.004 ( -1.567 2.141 6.324) 6.858 4.103 ( -2.129 1.305 0.091) 2.499 4.174 ( -0.218 9.002 0.421) 9.014 4.258 ( -5.755 4.629 -4.027) 8.412 4.426 ( 1.296 0.934 -0.436) 1.656 4.692 ( -3.323 -0.938 -7.669) 8.410 4.735 ( 2.075 -7.872 -1.951) 8.371 4.885 ( -6.085 2.456 1.754) 6.793 4.971 ( 0.152 3.314 3.690) 4.962 5.189 ( -1.029 -8.591 4.344) 9.682 5.223 ( 0.135 -2.089 5.290) 5.689 5.402 ( 0.500 -2.076 -0.934) 2.331 5.491 ( -7.968 -4.863 -9.209) 13.113 5.602 ( -1.543 2.357 1.856) 3.374 5.714 ( -3.460 0.889 4.991) 6.137 5.825 ( -1.472 -0.259 -5.646) 5.840 5.905 ( 0.205 -5.615 1.411) 5.793 6.312 ( -3.296 4.077 1.934) 5.588 6.432 ( 2.227 -1.138 -2.221) 3.345 6.473 ( -4.855 -4.491 1.696) 6.827 6.536 ( -1.536 -5.667 0.703) 5.913 6.644 ( -10.261 -2.606 1.189) 10.653 6.740 ( -0.812 0.622 -1.168) 1.553 6.858 ( 4.596 -6.401 -1.687) 8.058 7.041 ( 6.566 -3.262 0.068) 7.332 7.261 ( -1.012 2.973 -1.810) 3.625 7.381 ( 3.085 4.386 4.327) 6.890 7.531 ( 1.212 4.464 -3.724) 5.939 7.608 ( 8.025 3.667 0.073) 8.823 7.722 ( 6.478 1.507 1.394) 6.795 7.799 ( 4.775 0.479 -1.456) 5.015 8.600 ( 2.639 7.455 1.637) 8.076 8.704 ( 4.965 6.124 -0.828) 7.927 8.741 ( 7.504 7.905 -0.611) 10.917 8.795 ( 10.713 5.711 -1.664) 12.253 9.252 ( -1.415 5.874 1.796) 6.304 9.343 ( 2.915 1.775 -0.413) 3.438 9.464 ( 1.468 1.817 -0.521) 2.393 9.584 ( 1.002 1.442 -1.762) 2.487 10.048 ( -2.706 3.502 2.044) 4.875 10.129 ( -0.756 0.826 0.898) 1.435 10.365 ( -3.647 0.633 0.148) 3.704 10.409 ( -2.130 -1.064 0.644) 2.466 10.696 ( -2.206 3.800 2.854) 5.240 10.764 ( 1.588 -0.359 7.290) 7.470 10.908 ( 1.129 -3.550 -4.984) 6.222 11.033 ( -0.077 -3.953 -0.107) 3.955 11.205 ( -2.460 -2.663 -8.647) 9.376 11.237 ( -1.856 -5.002 -7.111) 8.890 11.600 ( -5.379 2.045 4.272) 7.167 11.710 ( -6.415 0.089 4.748) 7.982 11.742 ( 1.450 -1.059 2.364) 2.969 12.040 ( -4.816 -6.064 -3.881) 8.662 13.344 ( -3.551 -7.466 -2.593) 8.664 13.455 ( 8.167 -8.667 5.232) 13.008 14.081 ( -1.446 2.900 -1.060) 3.410 14.134 ( -1.189 4.988 -0.283) 5.136 14.531 ( -3.341 2.997 2.153) 4.978 14.722 ( 7.348 2.609 -1.616) 7.963 14.959 ( -2.451 14.162 12.248) 18.883 15.057 ( -5.575 3.671 -0.864) 6.731 15.690 ( -3.564 8.733 2.526) 9.765 16.041 ( 5.889 6.914 1.086) 9.146 16.977 ( -0.806 -10.529 5.218) 11.779 17.608 ( 10.504 7.815 -11.781) 17.612 18.012 ( 10.556 -4.422 10.792) 15.730 18.232 ( -7.347 -17.461 -18.109) 26.207 20.265 ( -3.527 7.630 14.476) 16.739 20.650 ( -12.193 -1.925 -10.841) 16.429 21.246 ( 5.026 0.256 1.177) 5.169 21.337 ( 4.182 -2.850 -2.786) 5.777 21.970 ( -1.931 0.760 0.058) 2.076 21.990 ( -1.120 0.488 -0.232) 1.244 ======================= Grid point 86 (44/75) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 4.732 6.311 7.134) 10.636 1.865 ( 4.111 8.248 -1.583) 9.350 1.909 ( -1.025 17.761 4.430) 18.334 1.935 ( 6.989 5.854 -5.154) 10.473 1.968 ( 2.565 6.964 -7.656) 10.662 2.283 ( -4.808 2.524 -3.057) 6.231 2.420 ( -7.708 4.484 -0.099) 8.918 2.448 ( 3.512 -3.063 2.533) 5.304 2.528 ( 3.337 -6.195 -3.325) 7.783 2.591 ( -1.263 8.002 2.513) 8.482 2.799 ( 0.788 -2.132 3.833) 4.456 2.831 ( -2.686 1.469 1.812) 3.558 2.912 ( -1.050 -8.708 0.938) 8.821 3.121 ( 4.584 -0.764 -0.761) 4.709 3.144 ( -0.307 -7.039 0.782) 7.089 3.211 ( -0.390 -9.372 1.947) 9.580 3.259 ( 7.461 8.283 -0.558) 11.162 3.357 ( -2.371 0.757 -2.116) 3.266 3.487 ( -5.216 -7.485 -7.070) 11.542 3.540 ( 6.208 -1.999 7.004) 9.570 3.734 ( 1.792 -4.577 6.735) 8.337 3.775 ( 3.489 -0.523 -7.101) 7.929 3.928 ( -5.165 0.124 2.593) 5.781 3.979 ( -5.111 6.274 2.102) 8.361 4.075 ( -1.021 -1.715 -0.983) 2.225 4.098 ( -6.938 0.748 -5.005) 8.588 4.223 ( 2.710 8.059 2.902) 8.984 4.432 ( -1.020 1.994 -1.932) 2.958 4.608 ( -2.294 0.579 -0.959) 2.552 4.749 ( -1.243 -8.242 -1.399) 8.452 4.793 ( -2.582 2.220 0.952) 3.536 4.978 ( -0.835 -0.607 0.590) 1.189 5.161 ( -3.134 -2.444 0.031) 3.974 5.232 ( -5.850 -1.276 -1.930) 6.291 5.319 ( -0.740 -1.138 -0.790) 1.570 5.394 ( -0.331 -0.567 -2.776) 2.852 5.601 ( -0.598 1.293 4.073) 4.315 5.684 ( -2.966 0.795 4.495) 5.444 5.789 ( 1.303 -0.715 -3.196) 3.525 5.891 ( -1.360 -4.064 -0.560) 4.322 6.217 ( -8.669 5.383 0.858) 10.240 6.375 ( -10.888 -0.059 -0.194) 10.890 6.454 ( 1.406 -7.052 1.514) 7.348 6.504 ( -1.635 -4.005 0.713) 4.384 6.517 ( -0.871 -3.295 -1.007) 3.554 6.672 ( -3.653 -5.671 -0.946) 6.812 6.977 ( 7.380 0.549 1.139) 7.488 7.162 ( 4.597 2.251 -0.027) 5.119 7.297 ( 7.031 -3.177 -3.502) 8.473 7.468 ( 3.647 1.169 4.421) 5.849 7.551 ( 3.121 4.377 -2.976) 6.145 7.705 ( 2.893 3.769 -1.342) 4.937 7.783 ( 1.010 2.449 0.116) 2.651 7.891 ( 2.024 -2.091 1.454) 3.253 8.718 ( 9.456 7.007 2.095) 11.954 8.836 ( 9.884 6.980 -0.703) 12.120 8.889 ( 9.339 6.768 -2.421) 11.785 8.989 ( 10.619 6.128 -2.451) 12.503 9.214 ( -3.651 5.770 1.574) 7.007 9.408 ( 3.414 -0.011 0.045) 3.415 9.510 ( 4.016 0.897 -1.295) 4.314 9.585 ( 0.052 -0.666 -0.682) 0.954 9.999 ( -3.495 4.444 1.585) 5.872 10.104 ( -2.039 1.271 0.052) 2.404 10.284 ( -4.541 0.667 -0.934) 4.684 10.349 ( -4.503 -1.977 -0.219) 4.923 10.687 ( -2.073 3.496 5.671) 6.977 10.835 ( 1.231 -0.706 7.870) 7.997 10.897 ( 0.984 -3.323 -5.259) 6.299 11.035 ( 0.829 -2.180 -0.906) 2.502 11.116 ( -2.452 -3.377 -3.286) 5.311 11.191 ( 1.376 -5.346 -6.230) 8.324 11.477 ( -7.215 4.299 -1.744) 8.578 11.640 ( -6.812 0.248 4.379) 8.102 11.744 ( -2.661 -2.963 2.799) 4.867 11.940 ( -4.152 -4.085 0.013) 5.824 13.280 ( -1.892 -0.699 -1.438) 2.477 13.639 ( 8.192 -9.110 3.504) 12.743 14.001 ( -4.894 -1.371 -1.060) 5.192 14.086 ( -3.552 -0.815 -1.102) 3.807 14.533 ( 0.864 5.879 0.475) 5.961 14.784 ( 2.438 6.854 -8.875) 11.475 14.940 ( -2.608 4.039 3.079) 5.710 15.025 ( -1.936 20.845 13.694) 25.016 15.606 ( -6.590 8.203 0.184) 10.524 16.157 ( 6.295 -8.984 -2.885) 11.343 17.009 ( -0.336 -11.140 8.234) 13.857 17.694 ( 7.649 -2.131 -19.012) 20.604 18.072 ( -0.035 -5.210 -2.863) 5.945 18.324 ( 15.109 -6.464 9.948) 19.210 20.200 ( -10.994 5.792 3.879) 13.018 20.333 ( -14.887 2.197 -4.604) 15.737 21.368 ( 7.737 0.570 0.004) 7.758 21.435 ( 7.216 -1.694 -0.676) 7.443 21.922 ( -3.302 1.369 0.170) 3.578 21.956 ( -2.600 0.690 0.064) 2.691 ======================= Grid point 87 (45/75) ======================= q-point: ( 0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -6.369 8.826 -4.260) 11.688 1.857 ( 1.011 4.975 -3.710) 6.288 1.956 ( 0.758 9.152 2.232) 9.451 2.018 ( 5.373 6.956 -3.594) 9.496 2.082 ( 5.820 11.544 3.593) 13.419 2.206 ( -1.190 6.363 4.450) 7.856 2.320 ( -1.497 3.590 1.615) 4.211 2.494 ( 1.167 -4.763 0.433) 4.923 2.517 ( -1.192 5.856 0.575) 6.004 2.657 ( 1.834 -3.376 0.335) 3.856 2.741 ( -6.218 3.447 0.405) 7.122 2.858 ( 2.090 -7.814 3.419) 8.781 2.925 ( 2.242 -6.964 -1.213) 7.416 3.104 ( -1.479 -8.762 -5.847) 10.637 3.151 ( -3.226 -5.202 1.212) 6.240 3.269 ( 8.241 -0.473 4.143) 9.236 3.290 ( -0.959 -7.340 -1.246) 7.506 3.405 ( -0.857 -5.922 1.644) 6.206 3.485 ( 9.226 6.507 0.195) 11.291 3.641 ( -0.746 1.542 1.393) 2.208 3.663 ( -5.986 -3.039 -1.810) 6.953 3.820 ( -4.728 1.772 1.839) 5.374 3.874 ( 0.635 2.638 -0.754) 2.816 3.901 ( -5.264 2.104 -3.956) 6.912 3.970 ( 2.805 2.653 3.126) 4.968 4.106 ( 2.565 -4.135 -1.007) 4.969 4.277 ( 1.538 4.851 0.683) 5.135 4.365 ( -2.163 4.069 -7.232) 8.575 4.577 ( -3.407 2.143 4.434) 5.988 4.721 ( 0.625 -3.021 3.385) 4.580 4.817 ( 2.623 -5.572 0.076) 6.159 4.942 ( -2.705 -5.133 -3.603) 6.830 5.065 ( -6.945 1.043 -1.663) 7.217 5.102 ( -2.067 0.662 -3.434) 4.062 5.371 ( 0.826 3.061 -5.554) 6.395 5.400 ( 5.076 0.411 3.503) 6.181 5.632 ( -0.000 0.654 7.583) 7.611 5.657 ( -1.931 0.604 2.267) 3.039 5.819 ( 1.569 -1.228 -2.652) 3.318 5.884 ( 1.961 -1.562 -0.113) 2.510 6.068 ( -5.339 2.126 -1.988) 6.081 6.158 ( -10.896 0.542 -0.684) 10.931 6.463 ( -2.765 -5.135 1.090) 5.933 6.513 ( 3.360 -8.242 1.086) 8.967 6.539 ( 2.191 -3.169 0.307) 3.865 6.629 ( -1.070 -5.403 0.216) 5.512 7.089 ( 3.207 3.794 1.120) 5.093 7.187 ( 0.138 5.468 -1.021) 5.565 7.420 ( 4.874 -4.049 -0.542) 6.359 7.535 ( 2.441 -2.681 -0.278) 3.636 7.621 ( 5.006 3.665 0.163) 6.206 7.718 ( -0.212 4.049 -2.281) 4.652 7.772 ( -0.696 2.264 0.701) 2.470 7.871 ( -3.907 -1.690 1.302) 4.451 8.925 ( 10.298 6.800 2.977) 12.695 8.990 ( 5.572 9.524 -0.885) 11.070 9.008 ( 1.192 6.827 -0.428) 6.944 9.073 ( 2.046 7.492 -1.931) 8.003 9.180 ( 1.029 2.863 -1.322) 3.317 9.436 ( 0.723 -4.301 -4.095) 5.982 9.566 ( 1.660 0.934 0.645) 2.011 9.581 ( -0.866 -1.631 0.813) 2.018 9.959 ( -1.878 4.669 2.282) 5.526 10.071 ( -1.000 1.854 -1.005) 2.334 10.223 ( -1.071 -0.205 -0.734) 1.314 10.265 ( -3.702 -1.997 -0.869) 4.295 10.680 ( -2.591 2.668 5.937) 7.006 10.878 ( 0.336 -3.227 -3.850) 5.034 10.898 ( 0.899 -0.342 5.858) 5.936 11.049 ( 1.239 1.438 -2.566) 3.192 11.097 ( 0.840 -6.134 4.216) 7.491 11.224 ( 4.942 -6.446 -2.779) 8.584 11.352 ( -5.073 6.647 -4.403) 9.450 11.512 ( -5.125 -0.782 -4.454) 6.835 11.726 ( -1.973 -2.101 6.635) 7.233 11.883 ( -2.938 -3.203 0.357) 4.361 13.280 ( 1.716 6.586 2.886) 7.393 13.697 ( -3.713 -0.624 -3.975) 5.475 13.949 ( 0.618 -6.959 -1.582) 7.163 14.052 ( 1.432 -13.980 1.499) 14.133 14.541 ( 0.915 6.358 -0.493) 6.443 14.732 ( -2.623 11.824 -2.471) 12.361 14.955 ( -3.748 8.287 6.681) 11.285 15.097 ( 6.068 19.012 4.166) 20.387 15.495 ( -5.808 6.600 3.193) 9.354 16.150 ( -2.577 -19.384 -13.985) 24.041 17.050 ( -1.280 -11.722 9.589) 15.199 17.692 ( 6.068 -7.378 -16.924) 19.434 18.192 ( 9.265 4.588 9.063) 13.749 18.576 ( 4.549 -8.153 5.531) 10.851 19.999 ( -4.522 8.597 -4.545) 10.725 20.114 ( -10.727 2.063 0.617) 10.941 21.499 ( 6.202 0.047 -0.327) 6.211 21.536 ( 2.565 -1.246 -0.007) 2.852 21.871 ( -1.733 2.000 0.467) 2.688 21.905 ( -2.613 1.053 0.154) 2.822 ======================= Grid point 88 (46/75) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -7.110 11.977 -0.639) 13.943 1.850 ( -0.506 7.902 -1.497) 8.058 1.883 ( -4.180 12.210 -6.477) 14.440 2.118 ( 6.390 7.736 0.184) 10.036 2.183 ( 2.937 1.214 4.530) 5.533 2.271 ( 1.382 5.874 4.334) 7.429 2.384 ( 7.260 4.774 -1.099) 8.758 2.487 ( -2.391 1.030 -0.703) 2.697 2.562 ( 4.568 3.773 4.928) 7.706 2.633 ( -3.033 -6.099 0.637) 6.841 2.649 ( -2.789 -0.719 -0.948) 3.032 2.914 ( 2.590 -9.213 0.969) 9.619 2.927 ( -0.686 -7.429 -1.997) 7.723 3.038 ( -1.030 -2.781 -6.106) 6.788 3.125 ( -4.419 -5.585 6.393) 9.570 3.240 ( -4.772 1.429 1.663) 5.251 3.398 ( -0.488 -0.730 0.619) 1.075 3.423 ( 1.220 -3.447 1.128) 3.826 3.526 ( -6.807 2.583 -1.701) 7.476 3.556 ( -2.316 -4.813 -1.454) 5.536 3.612 ( 3.204 -0.220 4.588) 5.600 3.723 ( -2.545 -1.639 -2.103) 3.685 3.880 ( 4.271 4.873 0.517) 6.500 3.917 ( 2.143 -1.361 -2.927) 3.875 4.069 ( 2.874 0.875 1.144) 3.215 4.158 ( 4.688 1.102 3.930) 6.216 4.270 ( -4.273 3.197 -6.096) 8.102 4.306 ( 4.270 1.072 -6.933) 8.212 4.586 ( 1.359 1.870 4.830) 5.355 4.775 ( 2.194 4.713 -0.430) 5.216 4.822 ( -3.854 -5.425 2.109) 6.981 4.890 ( 1.695 -8.154 1.194) 8.413 4.997 ( -0.865 -1.177 -1.381) 2.010 5.081 ( 1.268 -2.203 0.519) 2.594 5.355 ( 1.711 4.821 -7.452) 9.039 5.499 ( 4.142 0.744 -1.948) 4.637 5.645 ( -0.611 0.804 6.287) 6.368 5.679 ( -0.122 -1.131 2.911) 3.125 5.788 ( -3.596 0.600 -0.190) 3.651 5.899 ( -0.050 -0.698 -0.118) 0.710 6.007 ( -0.159 2.462 -1.883) 3.104 6.137 ( 9.866 -0.539 -0.756) 9.909 6.427 ( -1.787 -3.615 1.351) 4.253 6.564 ( -0.319 -3.854 0.254) 3.875 6.577 ( 3.301 -8.918 0.411) 9.518 6.643 ( 2.430 -5.827 0.400) 6.326 7.070 ( -5.338 3.843 0.958) 6.647 7.196 ( 0.973 5.612 -1.133) 5.808 7.400 ( -6.340 -3.580 0.559) 7.303 7.548 ( -1.759 -3.040 -0.946) 3.638 7.631 ( -3.360 4.769 -1.306) 5.978 7.728 ( 3.430 2.107 -1.112) 4.176 7.797 ( -0.918 2.175 1.627) 2.868 7.839 ( 2.673 -0.343 0.404) 2.725 8.890 ( -10.545 7.738 2.474) 13.311 8.972 ( -6.236 8.167 -0.686) 10.298 9.036 ( -2.858 7.189 -1.400) 7.862 9.101 ( 1.078 6.433 -0.403) 6.535 9.226 ( 2.089 2.181 0.257) 3.031 9.409 ( 2.627 -4.114 -7.777) 9.182 9.529 ( -5.405 0.725 1.961) 5.795 9.585 ( -0.467 -0.135 1.361) 1.445 9.961 ( 0.322 3.794 2.773) 4.710 10.047 ( -1.360 1.979 -1.405) 2.782 10.226 ( 1.612 0.000 -0.796) 1.798 10.267 ( 4.703 -2.264 -0.288) 5.228 10.665 ( -2.643 1.763 4.684) 5.660 10.864 ( 0.862 -2.625 -3.610) 4.546 10.933 ( -1.482 0.907 6.049) 6.294 11.055 ( 0.929 -1.256 -0.535) 1.651 11.187 ( 4.441 -5.717 4.337) 8.439 11.226 ( -2.649 6.094 -3.393) 7.462 11.308 ( 3.477 -7.289 -2.114) 8.348 11.491 ( 7.146 2.625 -7.914) 10.981 11.760 ( 1.353 -2.280 7.016) 7.500 11.845 ( -0.698 -2.682 -0.159) 2.776 13.359 ( 2.658 6.450 6.828) 9.761 13.531 ( -8.647 -0.806 -6.534) 10.868 13.964 ( 2.812 -6.953 -1.712) 7.693 14.153 ( 8.496 -9.223 -4.482) 13.316 14.578 ( 2.181 8.817 2.961) 9.553 14.670 ( -4.451 8.200 2.109) 9.566 14.855 ( -10.242 10.104 7.202) 16.089 15.275 ( 10.590 2.564 -1.124) 10.954 15.444 ( -4.279 12.256 8.538) 15.538 15.955 ( -5.814 -15.689 -17.184) 23.984 17.070 ( -2.604 -11.435 8.795) 14.659 17.693 ( 3.051 -1.115 -14.400) 14.761 18.443 ( 6.201 -10.666 11.800) 17.073 18.491 ( -10.001 4.008 0.561) 10.789 19.931 ( -5.822 6.060 -3.436) 9.079 20.123 ( 16.643 3.051 -0.611) 16.932 21.493 ( -6.518 0.128 -0.255) 6.524 21.543 ( -1.762 -1.272 -0.082) 2.175 21.876 ( 1.666 1.876 0.567) 2.572 21.907 ( 2.913 1.062 0.058) 3.101 ======================= Grid point 89 (47/75) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -5.224 13.550 3.855) 15.025 1.743 ( -7.510 17.894 -0.320) 19.409 1.845 ( -0.094 4.672 -5.244) 7.024 2.183 ( -3.728 4.191 -1.569) 5.824 2.225 ( 0.633 4.642 0.129) 4.687 2.295 ( 3.704 3.170 1.124) 5.003 2.411 ( -2.646 1.128 -5.024) 5.789 2.518 ( 8.171 2.671 -2.508) 8.955 2.602 ( -3.400 -6.284 5.917) 9.277 2.609 ( -0.415 1.348 -1.642) 2.165 2.702 ( 4.622 2.096 5.679) 7.616 2.941 ( 3.264 -5.854 1.961) 6.983 2.974 ( 3.388 -5.468 -2.268) 6.821 2.995 ( 0.207 -4.253 -2.582) 4.979 3.053 ( -5.125 0.808 5.192) 7.340 3.124 ( -8.528 15.209 2.870) 17.671 3.315 ( -5.191 -2.925 -2.281) 6.380 3.371 ( -5.917 -5.758 -0.510) 8.272 3.431 ( -3.025 -7.699 -3.478) 8.973 3.600 ( 5.184 -2.145 4.241) 7.033 3.673 ( -0.200 -3.585 -1.200) 3.786 3.764 ( 6.259 -4.191 4.475) 8.762 3.923 ( 0.826 1.204 0.023) 1.460 3.971 ( 3.296 0.081 0.795) 3.392 4.117 ( 4.268 2.670 -2.526) 5.632 4.154 ( -3.299 2.483 -6.458) 7.665 4.280 ( 3.996 1.554 1.529) 4.552 4.329 ( 3.226 1.765 -7.579) 8.424 4.642 ( 1.261 0.133 5.741) 5.879 4.760 ( 0.544 2.532 1.292) 2.894 4.861 ( 3.009 -2.696 1.896) 4.463 4.939 ( 1.574 -5.415 2.345) 6.107 5.000 ( 2.387 -0.594 -1.189) 2.732 5.135 ( 2.779 -6.242 1.912) 7.096 5.345 ( 2.111 2.680 -6.680) 7.501 5.520 ( 1.990 -0.174 -4.824) 5.221 5.655 ( -2.125 -0.672 -1.554) 2.717 5.685 ( -0.028 1.628 5.131) 5.383 5.786 ( 3.336 -0.266 3.813) 5.074 5.868 ( -1.534 -3.261 -0.804) 3.693 6.132 ( 10.921 5.682 0.363) 12.316 6.327 ( 8.469 -0.924 0.640) 8.544 6.440 ( 4.304 -1.253 0.540) 4.515 6.539 ( -1.722 -3.343 0.048) 3.761 6.647 ( 3.183 -10.359 1.005) 10.884 6.687 ( 3.286 -5.447 -1.974) 6.660 6.940 ( -9.297 0.912 1.040) 9.399 7.181 ( -3.162 3.913 -0.681) 5.077 7.250 ( -8.103 -3.497 -0.811) 8.863 7.490 ( -3.341 -0.545 0.353) 3.404 7.561 ( -3.465 5.419 -1.021) 6.513 7.751 ( -0.857 3.003 -2.057) 3.740 7.775 ( -1.850 1.669 0.509) 2.543 7.879 ( -1.221 0.004 1.884) 2.245 8.718 ( -9.516 7.148 2.806) 12.228 8.814 ( -9.192 6.783 -1.207) 11.487 8.903 ( -10.349 5.910 -1.121) 11.970 8.969 ( -10.605 4.381 -4.090) 12.182 9.273 ( 1.073 5.267 2.772) 6.048 9.433 ( -1.225 2.669 -2.504) 3.860 9.448 ( -0.515 0.025 -0.646) 0.826 9.573 ( -1.017 -0.348 -0.074) 1.078 9.997 ( 1.676 2.648 2.048) 3.744 10.026 ( 0.394 2.482 0.263) 2.527 10.280 ( 4.464 0.808 -1.131) 4.675 10.363 ( 4.792 -2.345 0.735) 5.386 10.644 ( -2.283 1.631 3.960) 4.853 10.863 ( 0.114 1.867 -1.808) 2.602 10.914 ( -2.710 -1.635 2.724) 4.176 11.052 ( -0.192 -2.145 -2.822) 3.550 11.204 ( 3.256 1.873 -1.102) 3.915 11.329 ( 6.659 -3.667 2.633) 8.045 11.349 ( 3.541 -7.609 -4.047) 9.318 11.600 ( 6.314 1.158 -3.382) 7.256 11.841 ( 2.666 -2.309 5.580) 6.601 11.892 ( 6.686 -1.288 0.432) 6.823 13.331 ( -5.875 0.808 -3.976) 7.140 13.457 ( 0.649 -4.356 5.176) 6.796 14.037 ( 5.322 -0.333 -1.584) 5.563 14.212 ( -0.362 2.223 -5.372) 5.825 14.609 ( -2.845 -0.227 4.375) 5.224 14.644 ( -0.255 14.311 4.215) 14.921 14.747 ( -0.801 -1.334 0.804) 1.751 15.291 ( -9.775 -12.064 8.214) 17.566 15.533 ( 9.556 20.375 0.606) 22.513 15.835 ( 0.509 -0.763 -6.440) 6.505 17.060 ( -3.374 -10.524 5.958) 12.555 17.619 ( -1.708 5.491 -12.695) 13.936 18.167 ( -17.212 4.202 -1.865) 17.815 18.658 ( 4.632 -20.428 4.642) 21.455 19.884 ( 2.426 14.478 0.513) 14.689 20.485 ( 21.357 -3.662 -1.360) 21.711 21.350 ( -8.303 1.060 -0.117) 8.371 21.460 ( -5.996 -2.342 -0.568) 6.462 21.929 ( 3.213 1.262 0.169) 3.456 21.963 ( 2.686 0.737 0.033) 2.785 ======================= Grid point 90 (48/75) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -2.524 14.046 7.649) 16.191 1.610 ( -7.189 18.229 1.629) 19.663 1.791 ( -3.106 3.803 -2.398) 5.464 2.021 ( -6.737 7.600 -5.115) 11.371 2.244 ( 0.503 1.852 -6.945) 7.205 2.338 ( 2.037 -4.662 -0.266) 5.095 2.396 ( 1.637 3.880 -1.608) 4.508 2.522 ( -5.253 3.348 -4.141) 7.480 2.613 ( 1.070 0.818 2.241) 2.614 2.639 ( 6.382 0.767 -0.779) 6.475 2.791 ( 1.843 0.632 5.138) 5.495 2.923 ( -4.134 7.326 0.891) 8.459 2.985 ( -3.208 15.863 4.263) 16.736 3.011 ( -2.657 1.157 3.356) 4.434 3.069 ( 0.959 -2.921 3.518) 4.672 3.092 ( 5.512 -5.865 -3.977) 8.977 3.244 ( -5.652 -7.122 0.382) 9.101 3.267 ( 1.323 -10.159 0.268) 10.248 3.361 ( -2.131 -7.702 -2.527) 8.382 3.649 ( 1.972 -4.828 -2.520) 5.792 3.765 ( 5.324 -1.315 5.374) 7.678 3.852 ( 1.065 -4.534 2.735) 5.401 3.924 ( -0.370 -0.739 -2.355) 2.496 3.981 ( -3.038 1.207 -4.419) 5.497 4.095 ( 2.114 3.969 -1.051) 4.618 4.189 ( 3.815 2.378 -2.545) 5.166 4.313 ( 0.509 3.610 -0.575) 3.690 4.362 ( 4.411 3.416 -3.241) 6.452 4.705 ( 0.878 -3.367 4.805) 5.933 4.819 ( 3.432 -0.247 5.746) 6.697 4.871 ( -0.605 -5.988 -5.773) 8.340 4.980 ( 1.024 3.466 1.173) 3.800 5.069 ( 4.201 -2.735 3.506) 6.117 5.170 ( 0.290 -7.866 0.489) 7.886 5.358 ( 2.989 -0.258 -4.754) 5.621 5.551 ( 3.042 -1.343 -0.095) 3.326 5.638 ( 1.859 -1.399 -1.546) 2.794 5.716 ( 0.023 0.962 5.326) 5.413 5.842 ( -0.087 -3.701 -2.148) 4.280 5.882 ( 4.201 -0.541 -1.016) 4.355 6.285 ( 4.085 2.266 1.220) 4.828 6.426 ( 3.659 2.351 -0.233) 4.356 6.507 ( 1.780 -4.307 0.135) 4.662 6.603 ( 8.616 -1.675 0.204) 8.779 6.636 ( -3.717 -8.184 2.155) 9.244 6.758 ( -6.020 -1.431 0.642) 6.221 6.818 ( 6.752 -5.468 -3.934) 9.538 7.037 ( -9.369 -3.914 0.445) 10.163 7.199 ( 1.098 5.016 -0.712) 5.184 7.438 ( -2.941 1.662 -0.041) 3.378 7.509 ( -2.557 4.038 2.370) 5.335 7.660 ( -7.026 5.007 -0.603) 8.649 7.722 ( -4.501 1.131 -4.771) 6.656 7.812 ( -5.442 0.727 2.298) 5.952 8.609 ( -4.317 7.512 2.487) 9.014 8.665 ( -5.540 7.830 -2.046) 9.808 8.724 ( -6.662 6.115 -0.752) 9.075 8.784 ( -7.733 5.753 -1.216) 9.715 9.269 ( -2.173 5.324 1.540) 5.953 9.384 ( -2.475 3.630 -0.878) 4.480 9.448 ( -0.088 0.637 0.613) 0.889 9.564 ( 0.897 1.623 -2.422) 3.051 10.033 ( 1.717 2.414 0.773) 3.062 10.069 ( 2.156 2.134 3.206) 4.414 10.351 ( 3.637 0.596 -0.482) 3.717 10.424 ( 1.334 -1.487 0.707) 2.119 10.646 ( -0.339 1.689 5.612) 5.871 10.817 ( -3.752 4.854 -0.879) 6.198 10.906 ( 1.243 -4.252 -2.330) 5.005 11.038 ( 0.370 -3.281 -2.165) 3.948 11.258 ( 3.051 -0.476 -3.008) 4.310 11.368 ( 2.332 -7.182 -7.482) 10.631 11.469 ( 6.018 -3.000 4.776) 8.248 11.657 ( 1.521 0.529 1.657) 2.311 11.885 ( -1.005 -1.245 2.059) 2.608 12.044 ( 8.302 -3.518 -1.725) 9.180 13.256 ( -0.276 -0.712 -0.960) 1.227 13.484 ( -1.301 -9.951 3.366) 10.585 14.083 ( -0.927 3.789 -1.178) 4.075 14.118 ( -3.035 1.804 -1.195) 3.728 14.575 ( -0.466 6.697 2.437) 7.142 14.674 ( -0.184 -1.679 0.635) 1.805 14.826 ( 4.185 5.095 5.874) 8.831 15.171 ( -6.905 -2.477 6.862) 10.046 15.682 ( 5.899 7.538 0.269) 9.576 15.852 ( 1.947 15.213 2.222) 15.497 17.024 ( -3.363 -9.799 2.655) 10.694 17.523 ( -0.201 8.937 -10.526) 13.810 17.915 ( -9.909 5.669 1.621) 11.530 18.652 ( -2.673 -26.841 -10.550) 28.963 20.009 ( 6.318 16.898 10.725) 20.988 20.778 ( 11.996 -6.952 -5.290) 14.840 21.228 ( -4.977 0.967 0.667) 5.114 21.364 ( -3.153 -4.113 -2.403) 5.713 21.975 ( 1.736 0.645 -0.117) 1.856 21.996 ( 1.055 0.574 -0.153) 1.211 ======================= Grid point 91 (49/75) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.013 10.163 3.790) 10.847 1.783 ( 1.227 3.070 1.026) 3.462 1.860 ( 2.267 4.527 2.114) 5.486 1.955 ( 0.465 -5.262 4.282) 6.800 2.201 ( -1.231 4.397 -6.751) 8.151 2.290 ( 0.990 -4.590 -3.276) 5.725 2.389 ( -1.664 4.133 -5.709) 7.242 2.479 ( -1.001 -2.913 -7.593) 8.194 2.732 ( 0.904 4.497 -1.433) 4.805 2.739 ( 0.067 1.555 -2.206) 2.699 2.827 ( -3.448 -2.088 2.358) 4.670 2.885 ( -3.139 -1.618 1.818) 3.972 2.951 ( 2.282 -2.518 -1.125) 3.579 3.007 ( 0.091 -0.703 -1.207) 1.400 3.073 ( -3.507 3.203 -2.159) 5.218 3.095 ( 0.108 -0.505 -1.586) 1.668 3.172 ( 4.873 -0.666 6.596) 8.228 3.223 ( -1.134 -4.223 4.065) 5.970 3.437 ( 4.360 5.675 4.371) 8.385 3.537 ( 0.861 -5.675 -2.074) 6.103 3.759 ( -5.192 1.333 -1.482) 5.561 3.787 ( -4.744 -1.870 3.743) 6.325 3.922 ( 2.430 1.692 1.074) 3.150 3.963 ( 2.847 -0.941 -0.514) 3.042 4.235 ( -2.284 7.763 2.342) 8.424 4.323 ( -1.144 3.137 -0.522) 3.380 4.403 ( 4.979 3.385 -1.405) 6.182 4.463 ( 2.539 0.869 -2.381) 3.588 4.579 ( -2.714 -4.105 -1.972) 5.301 4.661 ( -1.194 -8.485 -3.270) 9.171 4.928 ( 0.572 1.813 10.473) 10.644 5.003 ( -0.107 -3.998 7.081) 8.133 5.081 ( -1.378 1.991 0.580) 2.490 5.127 ( 1.995 -1.458 1.894) 3.113 5.376 ( 1.381 1.968 -6.308) 6.751 5.475 ( 0.197 -7.243 -7.385) 10.346 5.655 ( -0.390 2.196 0.741) 2.350 5.719 ( -0.230 -3.736 -1.508) 4.035 5.812 ( 0.799 3.100 1.324) 3.465 5.876 ( -0.259 -2.544 -0.412) 2.590 6.356 ( 0.208 3.137 2.306) 3.899 6.440 ( -0.626 -5.101 2.249) 5.610 6.502 ( -4.284 2.997 -2.708) 5.888 6.531 ( -4.665 -2.324 -0.738) 5.264 6.557 ( 2.977 -1.145 0.163) 3.193 6.631 ( 4.785 -5.539 -2.377) 7.696 6.904 ( -1.529 1.835 1.187) 2.667 6.931 ( 2.207 -0.884 1.176) 2.653 7.355 ( 1.941 3.757 1.260) 4.412 7.397 ( -1.497 -0.515 -0.028) 1.584 7.575 ( 1.171 3.715 -1.110) 4.050 7.624 ( -0.137 -0.910 -2.012) 2.213 7.671 ( -2.416 5.021 0.739) 5.621 7.755 ( -0.334 -2.959 -0.132) 2.980 8.676 ( -0.490 2.927 0.344) 2.988 8.709 ( 0.383 -0.230 -0.711) 0.839 8.772 ( 1.910 3.868 -0.467) 4.340 8.789 ( 0.474 2.023 -0.859) 2.249 9.337 ( -0.309 3.255 0.192) 3.276 9.366 ( -0.925 0.312 -1.216) 1.559 9.533 ( -0.465 4.476 2.641) 5.218 9.591 ( 0.452 -0.971 0.125) 1.078 10.111 ( 1.161 1.998 0.653) 2.401 10.130 ( 1.167 -0.025 0.681) 1.351 10.413 ( 0.643 1.120 0.902) 1.575 10.425 ( -0.601 0.130 0.375) 0.719 10.720 ( 0.040 2.164 3.596) 4.197 10.771 ( -2.052 -1.830 -0.908) 2.896 10.879 ( 0.143 1.477 -2.091) 2.564 10.947 ( -0.226 -4.483 -2.021) 4.923 11.210 ( 0.152 -2.128 -6.779) 7.107 11.222 ( -0.228 -3.551 -7.564) 8.360 11.603 ( 1.783 3.238 8.330) 9.113 11.675 ( 0.679 -3.163 6.031) 6.844 11.863 ( -3.146 4.386 -2.633) 6.006 11.978 ( -0.980 -6.759 -3.406) 7.632 13.245 ( 0.278 -0.905 1.881) 2.106 13.285 ( -2.561 -4.999 0.928) 5.693 14.131 ( 1.666 2.692 1.381) 3.454 14.153 ( 2.800 0.257 0.872) 2.944 14.624 ( -3.082 -0.097 0.823) 3.191 14.630 ( 1.055 -0.455 0.772) 1.384 15.084 ( 2.778 5.419 6.436) 8.860 15.136 ( 0.143 -0.914 4.335) 4.433 15.914 ( -1.714 15.756 9.895) 18.684 16.194 ( -1.022 -4.463 13.483) 14.239 16.960 ( 0.426 17.499 -14.406) 22.670 17.446 ( 4.830 -20.522 -18.676) 28.165 17.935 ( -2.165 5.846 1.948) 6.531 18.082 ( -3.119 -11.470 -5.550) 13.118 20.444 ( 0.993 13.336 6.610) 14.918 20.678 ( 0.029 -10.035 -1.915) 10.216 21.202 ( 0.069 1.211 0.010) 1.213 21.243 ( 0.164 -2.974 -1.378) 3.282 21.998 ( -0.128 0.472 -0.021) 0.489 22.005 ( -0.136 -0.165 -0.218) 0.305 ======================= Grid point 92 (50/75) ======================= q-point: ( 0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 3.469 7.524 3.881) 9.149 1.852 ( 4.098 -3.093 -0.900) 5.212 1.975 ( 8.017 9.375 5.389) 13.460 2.057 ( 6.275 3.217 2.893) 7.622 2.174 ( 3.680 4.234 -5.718) 8.010 2.274 ( 0.471 -3.653 -9.273) 9.978 2.336 ( -0.822 0.712 -0.841) 1.375 2.416 ( -0.374 -2.675 -7.254) 7.741 2.669 ( -6.291 1.964 -0.810) 6.640 2.694 ( -3.911 -2.494 -1.088) 4.764 2.756 ( -3.730 0.246 2.592) 4.549 2.853 ( -1.600 -0.949 0.983) 2.104 2.920 ( -5.850 2.024 2.321) 6.611 3.022 ( 2.228 1.667 0.133) 2.785 3.059 ( -4.334 -5.642 -0.759) 7.155 3.080 ( 3.832 -1.961 -0.778) 4.375 3.260 ( 4.661 2.450 3.690) 6.430 3.318 ( 5.781 -3.830 7.604) 10.291 3.464 ( -3.271 1.023 -7.848) 8.564 3.520 ( -1.495 -5.032 -6.124) 8.066 3.667 ( -2.080 5.508 4.859) 7.634 3.750 ( -0.481 -2.620 3.278) 4.224 3.972 ( 0.345 2.662 3.776) 4.632 4.025 ( 2.023 -1.001 3.537) 4.196 4.164 ( -6.128 4.816 0.213) 7.796 4.255 ( -7.093 -2.298 -1.367) 7.580 4.383 ( -2.087 7.859 -0.462) 8.144 4.464 ( 0.220 1.580 -1.201) 1.996 4.597 ( 3.285 -3.737 -1.827) 5.300 4.643 ( 1.129 -4.337 -5.536) 7.123 4.935 ( -4.937 2.772 5.106) 7.624 5.012 ( -4.852 -4.158 2.060) 6.713 5.086 ( 2.194 3.508 6.654) 7.836 5.174 ( 1.451 -3.378 4.080) 5.492 5.360 ( 0.694 -1.294 -4.707) 4.930 5.388 ( -3.245 -4.307 -9.415) 10.850 5.647 ( -0.787 2.358 0.379) 2.514 5.699 ( -1.698 -2.590 -0.230) 3.106 5.820 ( -0.585 1.291 -0.287) 1.446 5.853 ( -1.606 -1.486 0.327) 2.212 6.360 ( -1.630 1.112 2.757) 3.390 6.397 ( -2.414 -2.657 0.217) 3.597 6.436 ( -4.381 -0.315 -0.481) 4.418 6.459 ( -1.224 -1.592 0.787) 2.157 6.595 ( -2.936 1.722 -0.689) 3.473 6.697 ( -2.571 -6.826 -2.492) 7.708 6.853 ( 3.003 5.442 0.540) 6.239 6.958 ( 4.107 -4.955 0.656) 6.469 7.347 ( -0.787 4.691 -1.141) 4.892 7.413 ( 1.426 -1.369 1.383) 2.412 7.639 ( 1.998 5.816 -2.554) 6.659 7.673 ( 7.469 2.423 -0.826) 7.896 7.731 ( 6.745 -0.280 2.487) 7.194 7.771 ( 2.012 -3.338 0.106) 3.899 8.704 ( 3.700 3.577 0.528) 5.173 8.749 ( 4.926 -0.645 -0.796) 5.032 8.856 ( 7.469 3.299 -1.461) 8.295 8.871 ( 8.963 1.692 -1.183) 9.198 9.348 ( 0.504 3.318 0.434) 3.384 9.373 ( 2.023 0.619 -0.354) 2.145 9.531 ( -0.679 4.085 1.294) 4.339 9.589 ( -0.864 -1.327 0.483) 1.656 10.118 ( -0.956 2.795 0.796) 3.059 10.141 ( -0.248 0.214 0.348) 0.478 10.384 ( -3.572 1.096 -0.210) 3.742 10.398 ( -3.129 -0.324 0.404) 3.172 10.743 ( 0.167 0.853 -1.380) 1.631 10.753 ( 0.781 -0.572 4.446) 4.550 10.871 ( -0.387 0.792 -0.294) 0.929 10.937 ( -0.525 -4.980 0.855) 5.080 11.151 ( -1.999 -2.096 -8.166) 8.665 11.154 ( -1.325 -2.543 -7.251) 7.797 11.649 ( -2.739 2.683 7.885) 8.768 11.700 ( -2.829 -2.146 5.988) 6.962 11.772 ( -3.845 5.058 -2.173) 6.715 11.902 ( -4.254 -7.435 -3.440) 9.231 13.256 ( 0.237 -1.070 0.745) 1.325 13.304 ( 3.887 -5.665 3.366) 7.650 14.145 ( -2.553 3.118 -1.479) 4.293 14.182 ( -1.649 -0.116 -1.571) 2.281 14.605 ( 1.727 4.630 1.045) 5.051 14.694 ( 5.532 -3.758 -0.466) 6.704 15.123 ( -2.952 3.677 2.381) 5.283 15.160 ( 2.536 2.288 7.610) 8.341 15.919 ( -5.438 16.846 11.213) 20.954 16.214 ( -6.260 -3.744 13.017) 14.922 16.880 ( 0.253 12.920 -11.489) 17.291 17.387 ( 1.919 -28.363 -22.272) 36.114 17.983 ( 5.548 5.681 2.875) 8.445 18.085 ( 6.787 -3.687 -2.533) 8.129 20.435 ( -6.292 8.613 6.198) 12.337 20.578 ( -9.204 -5.575 -2.811) 11.121 21.254 ( 5.473 0.877 0.093) 5.543 21.285 ( 5.260 -2.209 -1.138) 5.817 21.983 ( -1.496 0.630 0.066) 1.625 21.992 ( -1.189 -0.213 -0.100) 1.212 ======================= Grid point 93 (51/75) ======================= q-point: ( 0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 3.249 4.594 2.409) 6.121 1.898 ( 1.618 -2.483 0.350) 2.985 2.067 ( 2.556 9.623 -8.794) 13.284 2.174 ( 5.788 9.605 0.891) 11.249 2.220 ( 2.125 4.653 -3.921) 6.445 2.313 ( -1.719 -4.172 -1.061) 4.636 2.317 ( 5.393 1.262 1.245) 5.677 2.419 ( 4.570 -2.452 0.187) 5.189 2.554 ( -5.652 5.817 2.354) 8.446 2.646 ( -0.314 -7.095 0.481) 7.118 2.728 ( -1.885 -0.309 3.814) 4.266 2.799 ( -5.136 3.713 2.974) 7.001 2.864 ( -1.207 -5.992 -1.088) 6.208 2.956 ( -6.552 -9.115 1.723) 11.357 3.055 ( 1.861 1.972 -2.653) 3.794 3.137 ( 2.303 -3.078 0.025) 3.844 3.327 ( -4.413 1.393 -5.726) 7.362 3.358 ( -2.943 -1.942 -3.404) 4.901 3.424 ( 5.274 1.070 0.074) 5.382 3.487 ( 7.292 -4.217 5.672) 10.156 3.737 ( 2.365 3.095 6.954) 7.970 3.779 ( 0.973 -0.618 1.491) 1.885 3.966 ( -2.746 4.180 2.200) 5.464 4.033 ( -4.353 -0.292 1.342) 4.565 4.070 ( -1.862 0.101 -3.666) 4.113 4.090 ( -6.772 -1.334 -2.458) 7.327 4.383 ( -0.026 7.221 2.071) 7.512 4.459 ( -0.650 0.248 0.114) 0.705 4.615 ( 0.490 -0.883 -4.708) 4.815 4.631 ( 0.202 -2.611 0.129) 2.622 4.847 ( -5.889 2.895 1.348) 6.699 4.917 ( -5.548 -4.237 -0.687) 7.014 5.144 ( -0.230 1.189 2.430) 2.715 5.192 ( -2.905 -2.939 -1.563) 4.418 5.319 ( 2.294 1.312 -1.641) 3.111 5.361 ( 1.977 -2.441 -1.536) 3.497 5.638 ( -0.151 2.092 0.111) 2.101 5.674 ( -0.891 -1.450 1.125) 2.040 5.798 ( -0.314 1.409 -1.223) 1.892 5.834 ( -0.725 -2.189 -0.009) 2.306 6.311 ( -10.672 3.084 0.236) 11.111 6.343 ( -6.431 -1.656 1.219) 6.751 6.361 ( -0.401 -1.573 1.125) 1.975 6.410 ( -5.269 -3.741 3.077) 7.157 6.509 ( -1.578 1.346 -1.710) 2.688 6.572 ( -3.825 -4.558 -2.196) 6.343 7.020 ( 11.289 3.923 0.131) 11.951 7.117 ( 11.380 -5.260 0.188) 12.539 7.339 ( 0.506 5.654 -2.195) 6.087 7.441 ( 0.949 -3.870 0.593) 4.029 7.665 ( 2.082 6.345 -0.718) 6.717 7.751 ( 2.273 -0.688 -1.692) 2.916 7.812 ( 1.495 0.901 1.545) 2.331 7.841 ( 1.879 -2.155 2.317) 3.681 8.828 ( 9.748 4.206 0.857) 10.652 8.882 ( 10.423 -0.940 -0.730) 10.491 9.007 ( 9.877 4.196 -2.692) 11.063 9.048 ( 10.997 0.113 -2.651) 11.312 9.330 ( -3.648 5.175 1.042) 6.417 9.398 ( -0.679 -1.664 0.289) 1.821 9.546 ( 2.151 2.376 0.259) 3.215 9.578 ( -0.018 -0.593 0.716) 0.930 10.088 ( -2.713 3.773 0.751) 4.707 10.124 ( -1.812 0.133 0.161) 1.824 10.303 ( -4.635 0.997 -0.971) 4.839 10.321 ( -4.818 -0.939 -0.770) 4.968 10.745 ( -0.333 2.487 1.139) 2.755 10.797 ( 1.247 -3.016 2.019) 3.837 10.868 ( -0.109 1.440 2.271) 2.691 10.941 ( -0.276 -5.363 3.754) 6.553 11.080 ( -0.516 -0.673 -6.312) 6.369 11.101 ( 0.513 -3.128 -6.099) 6.874 11.575 ( -6.530 4.705 0.023) 8.049 11.634 ( -7.444 -1.365 3.029) 8.151 11.730 ( -2.154 2.246 2.596) 4.053 11.828 ( -2.619 -6.508 0.069) 7.015 13.303 ( 4.309 3.627 1.920) 5.950 13.433 ( 7.672 -9.455 4.495) 12.979 14.021 ( -9.632 2.020 -1.142) 9.908 14.060 ( -9.703 -1.758 -1.608) 9.991 14.648 ( 2.296 6.210 -4.041) 7.757 14.769 ( 4.507 -5.244 -6.056) 9.192 15.119 ( 2.553 12.562 0.990) 12.857 15.313 ( 8.956 -0.985 8.437) 12.343 15.821 ( -12.204 16.393 7.102) 21.636 16.110 ( -12.137 -4.151 7.680) 14.950 16.858 ( 2.004 6.047 -2.799) 6.958 17.289 ( 2.052 -29.227 -17.977) 34.375 18.148 ( 10.270 8.230 3.272) 13.561 18.271 ( 13.080 -3.564 1.055) 13.598 20.302 ( -11.086 4.198 2.446) 12.104 20.352 ( -12.942 -0.704 -2.326) 13.168 21.379 ( 7.854 0.793 -0.087) 7.894 21.402 ( 7.686 -1.528 -0.393) 7.846 21.946 ( -2.743 0.984 0.204) 2.922 21.959 ( -2.529 -0.336 0.151) 2.556 ======================= Grid point 94 (52/75) ======================= q-point: ( 0.43 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -1.257 6.450 -1.532) 6.748 1.929 ( 1.473 -0.642 0.735) 1.767 2.075 ( 3.682 7.123 -6.707) 10.454 2.191 ( -0.151 4.110 -1.628) 4.424 2.262 ( -0.730 3.833 0.441) 3.926 2.287 ( 2.019 -2.643 -0.338) 3.343 2.368 ( 2.002 6.312 0.176) 6.624 2.503 ( 2.051 8.670 0.594) 8.929 2.540 ( 2.147 0.340 3.233) 3.895 2.654 ( -1.991 -5.006 2.581) 5.974 2.718 ( -2.843 -1.018 2.931) 4.209 2.748 ( -2.549 -1.104 3.766) 4.680 2.839 ( -2.522 -5.718 2.661) 6.792 2.863 ( -2.593 -13.337 -1.628) 13.684 3.056 ( 1.161 2.455 -4.989) 5.680 3.171 ( 1.763 -5.467 -0.668) 5.783 3.279 ( 2.922 -0.043 -0.110) 2.925 3.308 ( 0.913 -3.060 0.488) 3.230 3.558 ( 4.710 2.701 1.821) 5.727 3.615 ( 0.548 -2.732 2.337) 3.637 3.713 ( -3.586 4.370 -0.440) 5.670 3.794 ( -4.501 -3.176 0.393) 5.523 3.924 ( -1.647 1.450 0.068) 2.195 3.938 ( -0.469 1.326 -1.213) 1.858 4.060 ( 2.895 0.559 -0.005) 2.949 4.066 ( 1.639 2.620 1.585) 3.473 4.365 ( -2.163 3.987 -2.309) 5.090 4.413 ( -3.623 -0.043 -3.674) 5.160 4.621 ( 0.356 1.309 2.272) 2.646 4.638 ( 0.832 -1.280 3.312) 3.647 4.790 ( -0.181 -0.679 -0.013) 0.703 4.823 ( -3.668 -4.640 -1.985) 6.239 5.083 ( -5.413 1.450 -2.609) 6.181 5.111 ( -2.892 -0.695 -3.072) 4.276 5.409 ( 4.212 0.842 -2.784) 5.118 5.411 ( 5.876 0.422 0.851) 5.952 5.649 ( -0.588 0.852 4.239) 4.363 5.661 ( -2.023 -0.251 2.061) 2.899 5.818 ( 2.741 0.981 -1.453) 3.253 5.849 ( 3.702 -1.866 -0.520) 4.178 6.113 ( -8.856 2.288 -1.456) 9.262 6.150 ( -10.628 -1.305 -0.773) 10.736 6.378 ( -1.054 -2.536 2.695) 3.848 6.387 ( 0.712 -3.583 2.679) 4.530 6.509 ( 1.331 -0.125 -1.145) 1.761 6.541 ( 0.142 -3.350 -0.981) 3.494 7.189 ( 5.782 5.883 0.758) 8.283 7.291 ( 4.474 0.160 1.268) 4.653 7.334 ( 2.197 0.706 -3.054) 3.828 7.447 ( 0.108 -5.907 -1.432) 6.079 7.705 ( 2.593 4.117 -0.203) 4.870 7.759 ( -0.524 -0.615 -1.468) 1.675 7.815 ( -1.028 1.856 1.882) 2.836 7.841 ( -2.259 -1.161 2.661) 3.679 9.035 ( 11.326 4.252 1.604) 12.204 9.078 ( 9.814 0.375 -0.202) 9.823 9.130 ( 4.783 4.416 -3.634) 7.456 9.171 ( 2.446 1.087 -3.065) 4.069 9.238 ( -5.030 4.198 -0.116) 6.553 9.334 ( -4.863 -5.213 -1.507) 7.287 9.591 ( 1.097 1.548 1.527) 2.435 9.599 ( 0.812 1.211 1.398) 2.020 10.045 ( -2.226 3.446 1.178) 4.268 10.086 ( -2.109 -0.629 0.114) 2.204 10.232 ( -2.078 0.862 -1.111) 2.509 10.244 ( -2.232 -0.379 -1.496) 2.714 10.734 ( -1.553 2.984 1.163) 3.559 10.802 ( -0.110 -3.978 -1.970) 4.440 10.905 ( 1.016 1.663 5.941) 6.253 10.977 ( 0.969 -5.420 5.368) 7.690 11.065 ( 1.915 0.936 -3.460) 4.064 11.113 ( 3.484 -4.265 -2.911) 6.229 11.468 ( -5.231 4.426 -1.490) 7.013 11.512 ( -4.244 -0.224 -1.470) 4.496 11.712 ( -1.599 1.502 2.944) 3.672 11.790 ( -1.994 -5.449 0.327) 5.812 13.422 ( 5.696 7.999 4.365) 10.746 13.595 ( 4.217 -8.904 3.936) 10.609 13.845 ( -5.636 -1.609 -0.453) 5.879 13.876 ( -7.996 -4.551 0.056) 9.201 14.662 ( 3.182 7.163 -4.109) 8.850 14.808 ( 4.259 -5.739 -3.761) 8.076 15.153 ( -0.015 17.308 -9.431) 19.711 15.515 ( 7.028 -11.384 -3.745) 13.893 15.596 ( -14.344 22.160 10.667) 28.471 15.916 ( -11.357 -5.003 6.771) 14.137 16.901 ( 2.525 4.373 1.763) 5.348 17.282 ( 6.576 -27.310 -10.939) 30.146 18.347 ( 7.546 9.261 5.855) 13.304 18.489 ( 7.853 -4.723 2.474) 9.492 20.116 ( -6.835 3.605 -2.357) 8.079 20.146 ( -8.323 0.478 -1.390) 8.452 21.502 ( 5.005 0.401 -0.112) 5.022 21.515 ( 3.819 -0.866 -0.053) 3.916 21.901 ( -1.835 1.022 0.369) 2.133 21.913 ( -2.252 -0.197 0.267) 2.276 ======================= Grid point 95 (53/75) ======================= q-point: (-0.43 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -4.038 11.327 -0.681) 12.044 1.949 ( 0.350 -1.413 -1.094) 1.821 2.086 ( 0.037 5.220 -4.401) 6.828 2.147 ( -2.993 1.259 -1.884) 3.754 2.294 ( 4.531 6.135 1.237) 7.726 2.341 ( 2.450 -5.695 -2.035) 6.525 2.405 ( 2.969 5.736 -0.080) 6.459 2.551 ( 2.805 8.238 1.443) 8.822 2.586 ( 1.676 -0.272 -4.560) 4.866 2.642 ( -0.874 5.094 10.454) 11.661 2.660 ( -3.311 -3.005 -0.671) 4.521 2.729 ( -0.806 -3.664 1.604) 4.081 2.779 ( -2.214 -8.448 0.462) 8.746 2.879 ( -0.286 -14.264 6.997) 15.890 3.050 ( 1.424 4.481 -4.533) 6.531 3.194 ( 0.590 -7.541 0.646) 7.591 3.362 ( 1.850 0.535 -0.805) 2.087 3.377 ( 1.871 -0.276 1.516) 2.424 3.508 ( -2.193 0.460 -1.312) 2.596 3.558 ( -3.081 -3.295 -0.687) 4.564 3.670 ( -6.201 3.838 0.406) 7.304 3.709 ( -2.486 -0.749 1.466) 2.982 3.927 ( 1.124 3.028 -0.374) 3.251 3.961 ( 2.350 1.178 0.176) 2.634 4.119 ( 2.943 3.788 2.442) 5.383 4.172 ( 4.948 -0.752 4.337) 6.623 4.307 ( -2.676 1.127 -6.956) 7.537 4.320 ( 1.536 0.154 -8.878) 9.011 4.643 ( 0.150 2.269 5.033) 5.523 4.692 ( 0.660 -4.034 4.049) 5.753 4.782 ( 0.765 -1.604 -0.266) 1.797 4.822 ( 2.738 -2.283 0.406) 3.588 4.994 ( -2.808 2.560 -0.230) 3.807 5.050 ( -1.800 -2.193 -1.219) 3.088 5.443 ( 2.700 3.862 -8.198) 9.456 5.496 ( 4.045 -1.378 -6.091) 7.441 5.650 ( -0.350 0.059 6.198) 6.208 5.658 ( -0.982 -0.859 4.851) 5.024 5.822 ( -4.062 2.381 0.789) 4.774 5.869 ( -3.611 -2.184 0.614) 4.265 6.063 ( 6.088 2.945 -1.991) 7.050 6.112 ( 9.144 -1.883 -1.166) 9.408 6.378 ( -0.462 -0.759 2.379) 2.539 6.420 ( 0.961 -5.263 2.532) 5.919 6.525 ( 0.942 -0.546 -0.984) 1.468 6.552 ( 1.767 -3.260 -1.041) 3.852 7.174 ( -7.107 6.230 0.502) 9.464 7.293 ( -7.089 -3.892 1.432) 8.213 7.331 ( 1.195 4.766 -2.816) 5.663 7.456 ( 1.021 -5.956 -1.387) 6.200 7.715 ( -1.747 3.288 -1.133) 3.892 7.750 ( 1.195 -0.175 -1.138) 1.659 7.829 ( 0.240 1.055 2.733) 2.939 7.839 ( 1.344 -0.037 2.214) 2.591 9.022 ( -11.141 5.297 1.533) 12.431 9.070 ( -9.249 1.097 -0.736) 9.343 9.129 ( -3.737 3.256 -2.940) 5.763 9.173 ( -3.253 -0.186 -2.845) 4.325 9.271 ( 6.611 2.719 0.075) 7.149 9.328 ( 7.773 -3.288 -2.425) 8.781 9.574 ( -3.701 2.613 1.874) 4.903 9.597 ( -2.084 0.400 1.485) 2.590 10.033 ( -0.122 2.912 1.282) 3.184 10.064 ( -0.647 -0.267 -0.207) 0.729 10.235 ( 2.937 0.557 -1.191) 3.217 10.243 ( 3.437 -0.481 -1.071) 3.632 10.713 ( -1.373 3.349 1.238) 3.825 10.792 ( 0.393 -4.260 -1.379) 4.494 10.950 ( -0.145 1.800 4.698) 5.033 11.013 ( -0.009 -3.656 2.475) 4.415 11.106 ( 3.659 -0.491 -0.093) 3.693 11.164 ( 3.181 -5.621 -1.627) 6.660 11.383 ( -1.704 7.945 -1.537) 8.269 11.505 ( 3.621 -3.001 -2.955) 5.554 11.726 ( 1.728 0.425 3.302) 3.751 11.777 ( 1.176 -3.707 0.117) 3.891 13.459 ( -5.872 3.186 6.250) 9.148 13.499 ( -10.802 -1.700 1.043) 10.985 13.882 ( 9.593 0.151 -0.306) 9.599 13.969 ( 13.484 -7.888 0.540) 15.631 14.724 ( 4.715 8.003 0.208) 9.291 14.874 ( 1.944 1.308 0.044) 2.344 14.957 ( -11.881 7.536 -9.105) 16.759 15.237 ( -17.009 -8.851 -11.443) 22.329 15.697 ( 4.273 11.876 8.997) 15.500 15.885 ( 1.734 1.767 8.386) 8.743 16.956 ( 2.666 7.130 0.656) 7.641 17.363 ( 8.456 -26.569 -10.193) 29.687 18.427 ( -4.304 5.624 6.951) 9.923 18.518 ( -5.590 -2.118 1.691) 6.212 20.054 ( 1.487 5.693 -2.175) 6.273 20.133 ( 9.007 -1.971 -1.806) 9.395 21.501 ( -4.984 0.723 -0.093) 5.037 21.520 ( -3.362 -1.100 -0.070) 3.538 21.903 ( 1.779 0.935 0.393) 2.048 21.915 ( 2.370 -0.203 0.241) 2.391 ======================= Grid point 96 (54/75) ======================= q-point: (-0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -3.776 13.134 1.369) 13.734 1.912 ( -2.468 -1.928 -3.865) 4.975 2.007 ( -6.668 6.139 -2.135) 9.312 2.076 ( -4.527 -5.150 0.108) 6.858 2.336 ( 0.187 3.504 -3.610) 5.034 2.387 ( 2.206 1.461 1.028) 2.838 2.455 ( -2.451 5.114 -0.384) 5.684 2.508 ( -0.011 0.890 -4.284) 4.376 2.612 ( 1.050 -0.052 0.239) 1.078 2.653 ( 3.373 5.474 1.299) 6.560 2.733 ( 6.376 -1.180 0.289) 6.490 2.781 ( 4.106 -3.378 3.268) 6.241 2.820 ( 5.124 -6.477 6.117) 10.277 2.909 ( -0.910 -10.538 6.967) 12.666 3.052 ( 1.548 4.583 -4.656) 6.714 3.192 ( -0.536 -8.510 -2.401) 8.858 3.247 ( -6.145 3.057 -2.449) 7.288 3.321 ( -5.757 -2.676 -2.073) 6.678 3.509 ( -8.373 7.872 -1.482) 11.588 3.577 ( 2.609 -0.991 2.777) 3.937 3.655 ( 2.150 -0.036 4.144) 4.668 3.670 ( 2.976 -3.095 5.308) 6.827 3.962 ( 1.678 2.747 1.211) 3.440 4.002 ( 0.943 0.531 0.429) 1.164 4.142 ( 1.466 2.679 -4.830) 5.714 4.209 ( 2.804 -0.107 -7.133) 7.665 4.302 ( 2.811 1.960 1.727) 3.838 4.344 ( 4.174 -0.897 -5.685) 7.110 4.674 ( -0.828 1.289 5.939) 6.133 4.702 ( -0.557 -3.682 2.811) 4.666 4.818 ( 0.922 0.187 1.995) 2.205 4.887 ( 3.580 -3.262 2.715) 5.552 4.996 ( 2.413 1.266 0.941) 2.883 5.044 ( 1.026 -3.005 1.145) 3.376 5.413 ( 0.504 3.961 -8.516) 9.405 5.487 ( 1.244 -3.128 -8.398) 9.047 5.682 ( 0.070 2.640 1.595) 3.085 5.708 ( 0.957 0.517 4.522) 4.651 5.771 ( 0.963 -0.573 2.386) 2.636 5.801 ( -2.708 -3.235 -0.821) 4.298 6.244 ( 10.845 5.019 0.579) 11.964 6.304 ( 8.813 -1.311 0.895) 8.955 6.407 ( 3.982 -1.098 1.333) 4.340 6.454 ( 1.503 -6.046 2.394) 6.674 6.532 ( 1.109 0.705 -1.507) 1.999 6.591 ( 4.218 -4.419 -2.259) 6.514 6.998 ( -11.745 4.715 0.079) 12.656 7.110 ( -11.861 -6.205 0.168) 13.387 7.335 ( 0.267 6.939 -1.682) 7.145 7.449 ( -0.871 -4.097 -0.106) 4.190 7.667 ( -3.085 5.101 -0.442) 5.977 7.746 ( -0.995 -2.572 -1.207) 3.011 7.829 ( -2.354 2.717 1.324) 3.831 7.868 ( -1.276 -1.220 2.080) 2.728 8.834 ( -9.717 4.421 1.096) 10.732 8.881 ( -9.911 0.035 -0.950) 9.957 8.987 ( -9.357 2.875 -2.202) 10.034 9.015 ( -9.542 0.270 -3.062) 10.025 9.373 ( 2.387 4.230 1.248) 5.015 9.427 ( 2.937 -1.416 -0.739) 3.344 9.515 ( -2.846 3.789 1.220) 4.893 9.564 ( -1.298 -1.164 0.344) 1.777 10.049 ( 1.131 1.999 0.669) 2.392 10.060 ( 0.851 0.809 0.094) 1.178 10.301 ( 4.673 1.317 -0.964) 4.950 10.329 ( 5.326 -1.436 -0.260) 5.522 10.702 ( -1.024 4.302 2.351) 5.009 10.800 ( 0.502 -5.080 0.477) 5.127 10.944 ( -1.862 2.592 0.012) 3.191 11.003 ( -1.195 -2.949 -1.568) 3.547 11.174 ( 3.926 -1.875 -1.107) 4.489 11.209 ( 3.361 -5.275 -2.821) 6.861 11.406 ( 3.704 8.428 1.605) 9.345 11.562 ( 3.455 -5.822 -0.683) 6.804 11.810 ( 4.525 0.424 3.362) 5.653 11.848 ( 6.205 -2.693 0.466) 6.781 13.336 ( -7.297 0.594 0.923) 7.379 13.375 ( -5.735 -3.427 4.918) 8.296 14.080 ( 9.282 4.592 -0.652) 10.376 14.183 ( 7.591 -4.708 -1.764) 9.105 14.663 ( -9.178 7.585 -5.136) 12.967 14.764 ( -7.124 0.049 -2.300) 7.487 14.875 ( 1.115 5.747 -0.096) 5.855 15.032 ( -0.682 -11.845 4.926) 12.847 15.803 ( 2.522 13.279 6.928) 15.188 15.997 ( 4.442 1.598 7.316) 8.707 16.999 ( 3.062 11.731 -3.931) 12.745 17.434 ( 6.815 -23.097 -13.005) 27.369 18.266 ( -13.934 5.874 1.525) 15.198 18.386 ( -9.539 -7.419 1.698) 12.203 20.154 ( 9.038 12.541 0.717) 15.475 20.364 ( 15.193 -8.568 -0.566) 17.451 21.376 ( -7.883 1.620 -0.145) 8.049 21.414 ( -7.219 -2.211 -0.319) 7.557 21.951 ( 2.683 0.976 0.203) 2.862 21.966 ( 2.562 -0.439 0.147) 2.604 ======================= Grid point 97 (55/75) ======================= q-point: (-0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -1.932 12.539 3.649) 13.201 1.841 ( -4.752 -0.263 -1.530) 4.999 1.866 ( -4.645 6.539 -0.927) 8.074 1.989 ( -5.427 -8.379 2.291) 10.243 2.292 ( -4.796 3.201 -4.941) 7.594 2.311 ( -1.703 1.841 -2.558) 3.583 2.429 ( -0.173 2.410 -2.714) 3.633 2.518 ( 0.924 -4.343 -4.278) 6.166 2.675 ( 4.984 6.132 0.567) 7.922 2.720 ( 3.609 5.116 -3.236) 7.047 2.810 ( 1.798 0.496 2.944) 3.485 2.884 ( 2.083 -8.374 2.157) 8.895 2.947 ( 1.416 -2.136 1.204) 2.832 2.965 ( 7.170 -3.915 3.320) 8.818 3.058 ( 1.860 0.146 -1.580) 2.445 3.106 ( -3.269 -3.731 -3.691) 6.183 3.205 ( -3.924 0.710 0.429) 4.011 3.229 ( -2.457 -1.947 0.989) 3.287 3.384 ( -3.013 10.837 1.876) 11.404 3.544 ( -2.167 -6.325 0.504) 6.705 3.766 ( 3.182 0.545 7.667) 8.319 3.778 ( 1.547 -1.579 7.804) 8.111 3.938 ( -1.407 2.026 -6.795) 7.229 3.978 ( -1.780 -1.468 -5.573) 6.032 4.194 ( 6.319 7.471 -0.687) 9.810 4.282 ( 5.714 4.451 -2.865) 7.789 4.345 ( 1.754 -1.242 0.560) 2.221 4.383 ( 4.369 -2.136 -2.687) 5.556 4.659 ( -3.635 -0.779 1.206) 3.909 4.705 ( -1.892 -5.687 2.147) 6.367 4.852 ( 1.331 2.595 5.590) 6.305 4.958 ( 1.080 -6.387 6.420) 9.120 5.060 ( 3.505 1.267 0.102) 3.728 5.082 ( 1.707 -0.960 1.630) 2.548 5.386 ( 1.478 3.380 -6.674) 7.626 5.477 ( 2.579 -5.157 -6.119) 8.407 5.662 ( -0.765 3.222 -0.844) 3.418 5.736 ( -0.096 -2.624 -1.163) 2.872 5.782 ( 0.961 1.496 1.466) 2.304 5.846 ( 3.370 -3.136 1.613) 4.878 6.336 ( 0.998 3.210 1.418) 3.649 6.412 ( 2.574 -4.023 0.407) 4.793 6.495 ( 1.444 -1.578 1.250) 2.478 6.511 ( 4.799 -1.466 1.470) 5.228 6.566 ( 2.191 2.591 -1.448) 3.689 6.685 ( 1.653 -6.910 -3.043) 7.729 6.827 ( -1.270 5.335 0.417) 5.500 6.937 ( -5.509 -5.636 0.724) 7.914 7.329 ( 0.361 6.689 -0.892) 6.757 7.427 ( -1.705 -2.871 0.168) 3.344 7.608 ( -3.290 5.393 0.897) 6.380 7.697 ( -4.172 -3.003 -0.952) 5.227 7.753 ( -5.310 3.586 -0.937) 6.476 7.805 ( -5.547 -1.509 1.120) 5.856 8.714 ( -4.276 3.279 0.702) 5.434 8.743 ( -4.317 0.470 -1.089) 4.477 8.822 ( -6.579 3.801 -1.334) 7.715 8.852 ( -6.568 0.976 -1.127) 6.735 9.364 ( -2.361 3.976 0.296) 4.633 9.411 ( -2.774 -0.738 -1.024) 3.047 9.514 ( 0.598 4.471 2.598) 5.206 9.573 ( 1.424 -1.191 -0.145) 1.862 10.078 ( 1.972 1.837 0.028) 2.695 10.095 ( 1.995 0.273 1.063) 2.277 10.372 ( 3.291 1.672 0.198) 3.696 10.404 ( 2.860 -1.167 -0.099) 3.091 10.705 ( -0.679 4.327 3.548) 5.637 10.803 ( -1.107 -5.140 1.270) 5.409 10.902 ( -1.101 3.299 -3.322) 4.810 10.970 ( -0.532 -3.559 -3.487) 5.011 11.219 ( 2.678 -2.021 -4.560) 5.661 11.239 ( 2.434 -4.522 -5.320) 7.395 11.505 ( 4.188 5.530 5.746) 9.008 11.620 ( 2.229 -4.738 3.351) 6.216 11.885 ( 1.745 2.074 0.348) 2.733 11.957 ( 4.784 -4.660 -1.074) 6.764 13.255 ( -2.726 1.341 1.349) 3.324 13.325 ( -3.121 -5.906 3.229) 7.420 14.135 ( -0.248 2.562 -2.007) 3.264 14.162 ( -4.610 0.703 -1.956) 5.057 14.609 ( 0.993 1.352 1.251) 2.093 14.658 ( -1.336 -2.442 -0.254) 2.795 14.975 ( 5.201 6.861 4.977) 9.945 15.082 ( 1.349 -5.022 6.479) 8.307 15.873 ( 0.621 14.430 7.440) 16.247 16.111 ( 2.420 -1.956 9.847) 10.327 17.009 ( 2.413 16.006 -10.088) 19.073 17.454 ( 5.252 -18.500 -15.301) 24.576 18.042 ( -10.387 6.955 0.565) 12.513 18.218 ( -8.222 -13.846 -3.179) 16.414 20.330 ( 7.600 15.254 4.566) 17.644 20.595 ( 9.915 -11.532 -0.903) 15.236 21.252 ( -5.320 1.613 -0.106) 5.560 21.295 ( -4.999 -2.817 -0.922) 5.812 21.988 ( 1.307 0.660 0.023) 1.464 21.998 ( 1.057 -0.308 -0.063) 1.103 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.406 0.000 -14.238) 14.640 0.795 ( 3.406 0.000 14.238) 14.640 1.018 ( -2.501 0.000 -16.444) 16.633 1.018 ( 2.501 0.000 16.444) 16.633 1.989 ( 1.886 0.000 -18.591) 18.687 1.989 ( -1.886 0.000 18.591) 18.687 2.262 ( 7.244 0.000 -15.428) 17.045 2.262 ( -7.244 0.000 15.428) 17.045 2.545 ( 0.049 0.000 -0.513) 0.516 2.545 ( -0.049 0.000 0.513) 0.516 2.701 ( -0.605 0.000 -7.135) 7.160 2.701 ( 0.605 0.000 7.135) 7.160 2.996 ( -7.664 0.000 -2.296) 8.001 2.996 ( 7.664 0.000 2.296) 8.001 3.398 ( -7.426 0.000 0.332) 7.433 3.398 ( 7.426 0.000 -0.332) 7.433 3.620 ( -4.167 0.000 -3.899) 5.707 3.620 ( 4.167 0.000 3.899) 5.707 3.674 ( 7.049 0.000 -6.185) 9.378 3.674 ( -7.049 0.000 6.185) 9.378 3.894 ( 0.510 0.000 -0.938) 1.067 3.894 ( -0.510 0.000 0.938) 1.067 4.055 ( -6.109 0.000 1.639) 6.325 4.055 ( 6.109 0.000 -1.639) 6.325 4.220 ( 0.228 0.000 -3.850) 3.857 4.220 ( -0.228 0.000 3.850) 3.857 4.339 ( -1.977 0.000 -1.414) 2.431 4.339 ( 1.977 0.000 1.414) 2.431 4.431 ( -2.850 0.000 -3.467) 4.488 4.431 ( 2.850 0.000 3.467) 4.488 5.050 ( -0.254 0.000 -4.857) 4.863 5.050 ( 0.254 0.000 4.857) 4.863 5.321 ( 0.479 0.000 -2.326) 2.375 5.321 ( -0.479 0.000 2.326) 2.375 5.459 ( -1.979 0.000 -4.340) 4.770 5.459 ( 1.979 0.000 4.340) 4.770 5.892 ( 2.888 0.000 -14.557) 14.841 5.892 ( -2.888 0.000 14.557) 14.841 5.940 ( 0.615 0.000 -7.989) 8.012 5.940 ( -0.615 0.000 7.989) 8.012 6.482 ( 1.417 0.000 -1.688) 2.204 6.482 ( -1.417 0.000 1.688) 2.204 6.697 ( -3.599 0.000 -1.949) 4.093 6.697 ( 3.599 0.000 1.949) 4.093 6.974 ( 6.205 0.000 -5.840) 8.521 6.974 ( -6.205 0.000 5.840) 8.521 7.115 ( 9.721 0.000 -4.216) 10.596 7.115 ( -9.721 0.000 4.216) 10.596 7.155 ( 6.807 0.000 -3.677) 7.737 7.155 ( -6.807 0.000 3.677) 7.737 7.305 ( -3.293 0.000 -2.835) 4.345 7.305 ( 3.293 0.000 2.835) 4.345 7.625 ( 4.125 0.000 -3.149) 5.190 7.625 ( -4.125 0.000 3.149) 5.190 8.046 ( -4.793 0.000 1.166) 4.932 8.046 ( 4.793 0.000 -1.166) 4.932 8.215 ( -1.346 0.000 -0.578) 1.465 8.215 ( 1.346 0.000 0.578) 1.465 9.216 ( 4.290 0.000 -7.708) 8.821 9.216 ( -4.290 0.000 7.708) 8.821 9.466 ( 2.011 0.000 -6.097) 6.420 9.466 ( -2.011 0.000 6.097) 6.420 9.960 ( 0.860 0.000 -7.252) 7.302 9.960 ( -0.860 0.000 7.252) 7.302 10.375 ( 1.648 0.000 -1.087) 1.974 10.375 ( -1.648 0.000 1.087) 1.974 10.760 ( 5.664 0.000 -10.857) 12.246 10.760 ( -5.664 0.000 10.857) 12.246 10.892 ( -3.627 0.000 -3.184) 4.827 10.892 ( 3.627 0.000 3.184) 4.827 11.294 ( 1.260 0.000 -3.182) 3.422 11.294 ( -1.260 0.000 3.182) 3.422 11.665 ( -6.040 0.000 -2.447) 6.517 11.665 ( 6.040 0.000 2.447) 6.517 12.122 ( 2.401 0.000 -2.232) 3.278 12.122 ( -2.401 0.000 2.232) 3.278 13.584 ( 1.229 0.000 -15.864) 15.911 13.584 ( -1.229 0.000 15.864) 15.911 14.003 ( -12.699 0.000 -1.554) 12.794 14.003 ( 12.699 0.000 1.554) 12.794 14.582 ( -10.254 0.000 0.087) 10.254 14.582 ( 10.254 0.000 -0.087) 10.254 15.053 ( 4.609 0.000 -17.194) 17.801 15.053 ( -4.609 0.000 17.194) 17.801 15.876 ( -8.518 0.000 1.103) 8.589 15.876 ( 8.518 0.000 -1.103) 8.589 16.566 ( 4.733 0.000 -4.777) 6.724 16.566 ( -4.733 0.000 4.777) 6.724 18.531 ( -12.262 0.000 -11.779) 17.002 18.531 ( 12.262 0.000 11.779) 17.002 20.800 ( -11.866 0.000 1.622) 11.977 20.800 ( 11.866 0.000 -1.622) 11.977 21.084 ( -0.931 0.000 -1.525) 1.787 21.084 ( 0.931 0.000 1.525) 1.787 21.965 ( -0.519 0.000 -0.017) 0.519 21.965 ( 0.519 0.000 0.017) 0.519 ======================= Grid point 128 (57/75) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 9.918 0.000 -16.621) 19.355 0.950 ( 23.553 0.000 -8.695) 25.107 1.221 ( 24.005 0.000 14.965) 28.287 1.247 ( 11.481 0.000 14.356) 18.382 1.924 ( 10.652 0.000 -31.039) 32.816 1.990 ( -4.717 0.000 3.307) 5.761 2.263 ( -5.746 0.000 8.315) 10.107 2.332 ( 0.835 0.000 1.211) 1.471 2.483 ( -2.800 0.000 -6.844) 7.394 2.566 ( 2.701 0.000 14.157) 14.413 2.682 ( 2.076 0.000 -4.515) 4.970 2.730 ( -4.140 0.000 6.224) 7.476 2.878 ( -2.722 0.000 1.130) 2.948 3.116 ( 3.531 0.000 2.459) 4.303 3.208 ( -10.418 0.000 -4.862) 11.497 3.395 ( -7.562 0.000 1.628) 7.735 3.570 ( -0.802 0.000 0.621) 1.014 3.628 ( -1.500 0.000 1.765) 2.316 3.744 ( 3.635 0.000 -4.883) 6.087 3.745 ( 6.221 0.000 4.511) 7.684 3.871 ( -4.420 0.000 5.307) 6.906 3.901 ( 1.011 0.000 -0.719) 1.240 3.986 ( -0.651 0.000 -0.204) 0.682 4.112 ( -0.177 0.000 -2.882) 2.887 4.193 ( -1.953 0.000 -3.973) 4.427 4.252 ( 2.550 0.000 0.985) 2.733 4.295 ( -1.795 0.000 -0.437) 1.847 4.306 ( -7.264 0.000 0.213) 7.267 4.406 ( 3.993 0.000 -0.415) 4.014 4.458 ( -2.840 0.000 5.903) 6.551 4.965 ( -6.097 0.000 -2.552) 6.610 5.029 ( -5.702 0.000 5.556) 7.962 5.262 ( -4.161 0.000 -4.916) 6.441 5.280 ( -0.958 0.000 -6.778) 6.845 5.433 ( -1.064 0.000 0.591) 1.217 5.566 ( 3.628 0.000 9.099) 9.796 5.763 ( -4.990 0.000 -11.228) 12.287 5.795 ( -10.748 0.000 7.711) 13.228 5.906 ( 1.517 0.000 -10.101) 10.214 5.969 ( -0.527 0.000 4.977) 5.005 6.404 ( -8.164 0.000 -3.418) 8.851 6.426 ( -8.346 0.000 3.299) 8.974 6.607 ( -4.449 0.000 -1.041) 4.569 6.625 ( -10.935 0.000 0.841) 10.968 6.914 ( 2.056 0.000 0.782) 2.200 6.989 ( 1.722 0.000 -4.873) 5.168 7.024 ( 0.057 0.000 2.591) 2.592 7.053 ( -3.798 0.000 8.828) 9.610 7.279 ( 7.202 0.000 -2.255) 7.547 7.284 ( 7.603 0.000 -0.763) 7.641 7.417 ( 5.564 0.000 -0.183) 5.567 7.462 ( 1.802 0.000 1.003) 2.062 7.712 ( 12.975 0.000 3.007) 13.319 7.712 ( 3.289 0.000 -2.202) 3.958 8.143 ( 16.386 0.000 5.266) 17.212 8.147 ( 10.055 0.000 -5.299) 11.366 8.318 ( 13.534 0.000 3.994) 14.111 8.345 ( 9.917 0.000 0.144) 9.918 9.187 ( -4.129 0.000 7.290) 8.378 9.255 ( 5.210 0.000 -7.884) 9.450 9.486 ( 1.105 0.000 3.962) 4.113 9.488 ( 4.807 0.000 -6.485) 8.073 9.940 ( 1.392 0.000 -6.131) 6.288 9.988 ( -0.854 0.000 6.386) 6.442 10.342 ( -2.009 0.000 0.148) 2.015 10.381 ( 0.228 0.000 -2.017) 2.029 10.715 ( -7.064 0.000 11.356) 13.374 10.792 ( 4.807 0.000 -10.189) 11.266 10.826 ( -2.103 0.000 -0.365) 2.135 10.964 ( 1.048 0.000 4.317) 4.443 11.269 ( -2.135 0.000 -3.639) 4.219 11.272 ( -2.420 0.000 1.584) 2.893 11.544 ( -5.865 0.000 1.533) 6.062 11.757 ( 2.206 0.000 2.736) 3.514 12.013 ( -8.930 0.000 -3.116) 9.458 12.081 ( -3.645 0.000 -5.772) 6.827 13.433 ( -8.470 0.000 -17.231) 19.200 13.620 ( -4.062 0.000 13.194) 13.805 13.732 ( -11.268 0.000 0.211) 11.270 13.932 ( -17.320 0.000 1.026) 17.350 14.680 ( 15.735 0.000 8.078) 17.687 14.720 ( 3.152 0.000 5.233) 6.109 15.079 ( -1.960 0.000 7.788) 8.031 15.141 ( 13.039 0.000 -16.102) 20.719 15.885 ( 5.175 0.000 2.206) 5.625 16.193 ( 20.803 0.000 3.133) 21.037 16.562 ( 2.718 0.000 11.232) 11.557 16.661 ( 8.838 0.000 -1.200) 8.919 18.299 ( -7.004 0.000 -10.004) 12.212 18.875 ( 17.676 0.000 12.818) 21.834 20.303 ( -37.057 0.000 -15.635) 40.220 20.760 ( -10.900 0.000 -2.182) 11.116 21.147 ( 8.029 0.000 -1.357) 8.143 21.186 ( 8.197 0.000 0.206) 8.200 21.937 ( -2.711 0.000 0.130) 2.714 21.952 ( -2.147 0.000 -0.114) 2.150 ======================= Grid point 129 (58/75) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 16.892 0.000 -8.089) 18.729 1.298 ( 18.175 0.000 -11.237) 21.368 1.530 ( 11.246 0.000 10.177) 15.167 1.731 ( 18.835 0.000 13.448) 23.143 1.904 ( -4.656 0.000 5.857) 7.483 2.104 ( 25.046 0.000 -20.114) 32.122 2.144 ( -6.684 0.000 -2.987) 7.321 2.225 ( -11.183 0.000 1.931) 11.349 2.402 ( -0.554 0.000 -6.088) 6.113 2.603 ( -10.107 0.000 1.185) 10.177 2.699 ( 0.407 0.000 -7.507) 7.518 2.787 ( 11.141 0.000 3.671) 11.730 2.954 ( 4.724 0.000 17.965) 18.576 3.013 ( -5.738 0.000 -1.975) 6.068 3.186 ( 4.012 0.000 -4.146) 5.769 3.241 ( -9.955 0.000 4.244) 10.822 3.546 ( -4.518 0.000 3.163) 5.515 3.550 ( -10.268 0.000 3.111) 10.729 3.763 ( 1.156 0.000 -1.112) 1.604 3.825 ( -0.470 0.000 0.800) 0.928 3.882 ( 3.974 0.000 3.082) 5.029 3.914 ( 1.721 0.000 -3.700) 4.081 4.004 ( -1.253 0.000 4.142) 4.328 4.037 ( -4.186 0.000 -2.564) 4.909 4.048 ( -8.992 0.000 -0.336) 8.998 4.225 ( -3.889 0.000 -2.614) 4.686 4.230 ( -0.440 0.000 -3.731) 3.757 4.329 ( 0.986 0.000 1.709) 1.973 4.424 ( -1.842 0.000 3.647) 4.086 4.501 ( 6.496 0.000 -1.084) 6.586 4.831 ( -7.237 0.000 -0.648) 7.266 4.931 ( -7.599 0.000 3.312) 8.290 5.162 ( -2.912 0.000 -4.923) 5.719 5.208 ( -3.466 0.000 -3.894) 5.213 5.426 ( 0.333 0.000 1.278) 1.320 5.626 ( -1.604 0.000 6.553) 6.746 5.657 ( -0.529 0.000 -6.862) 6.883 5.711 ( -3.529 0.000 0.719) 3.602 5.902 ( 3.828 0.000 -4.179) 5.667 5.970 ( -1.871 0.000 1.686) 2.518 6.202 ( -14.294 0.000 1.808) 14.408 6.234 ( -6.652 0.000 -4.838) 8.225 6.520 ( -4.135 0.000 5.101) 6.566 6.538 ( -1.939 0.000 -2.601) 3.245 6.980 ( 4.830 0.000 -3.217) 5.803 7.017 ( 3.976 0.000 -5.565) 6.840 7.049 ( 0.063 0.000 4.040) 4.041 7.067 ( -1.746 0.000 10.211) 10.359 7.332 ( -1.134 0.000 0.928) 1.466 7.336 ( -0.047 0.000 -3.972) 3.972 7.507 ( 5.907 0.000 -3.368) 6.800 7.510 ( 4.058 0.000 4.508) 6.065 7.748 ( 3.708 0.000 -0.532) 3.746 7.888 ( 4.443 0.000 -0.964) 4.547 8.370 ( 8.369 0.000 1.274) 8.465 8.381 ( 17.601 0.000 -3.420) 17.930 8.494 ( 6.682 0.000 -1.939) 6.958 8.738 ( 15.166 0.000 14.619) 21.065 9.171 ( -1.415 0.000 8.710) 8.824 9.301 ( 4.824 0.000 -7.886) 9.244 9.560 ( 4.989 0.000 2.756) 5.700 9.567 ( 7.925 0.000 -5.461) 9.624 9.937 ( 1.338 0.000 -3.361) 3.617 9.994 ( -2.117 0.000 4.169) 4.676 10.323 ( 0.305 0.000 -0.279) 0.413 10.377 ( 1.053 0.000 -1.421) 1.769 10.642 ( -7.454 0.000 9.036) 11.713 10.807 ( 3.259 0.000 -10.056) 10.571 10.813 ( -0.353 0.000 2.159) 2.187 10.944 ( -5.207 0.000 -0.665) 5.249 11.190 ( -4.584 0.000 2.736) 5.338 11.241 ( -1.302 0.000 -0.279) 1.332 11.509 ( -0.227 0.000 3.872) 3.878 11.745 ( -6.235 0.000 -1.148) 6.340 11.845 ( -4.223 0.000 -2.227) 4.774 11.956 ( -5.445 0.000 -6.639) 8.586 13.177 ( -8.560 0.000 -6.486) 10.740 13.553 ( -13.922 0.000 3.319) 14.312 13.620 ( -1.421 0.000 -5.526) 5.706 13.658 ( -8.566 0.000 4.505) 9.679 14.863 ( 6.951 0.000 12.910) 14.662 14.940 ( -0.625 0.000 22.223) 22.231 15.163 ( 15.908 0.000 -16.670) 23.042 15.203 ( 5.660 0.000 -18.547) 19.391 15.983 ( 2.568 0.000 5.377) 5.959 16.323 ( -2.978 0.000 -0.199) 2.984 16.902 ( 17.482 0.000 4.472) 18.045 16.949 ( 19.158 0.000 26.481) 32.684 18.156 ( -3.988 0.000 -5.315) 6.645 19.227 ( 2.477 0.000 -0.373) 2.505 19.491 ( -22.388 0.000 -23.752) 32.640 20.474 ( -18.995 0.000 -0.569) 19.003 21.328 ( 12.178 0.000 -0.653) 12.196 21.356 ( 10.556 0.000 -0.065) 10.557 21.869 ( -5.188 0.000 0.400) 5.203 21.884 ( -5.372 0.000 -0.328) 5.382 ======================= Grid point 130 (59/75) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 10.961 0.000 4.509) 11.852 1.441 ( 9.050 0.000 -17.522) 19.721 1.771 ( -1.129 0.000 2.064) 2.353 1.796 ( 11.048 0.000 9.467) 14.549 1.943 ( -16.665 0.000 2.955) 16.925 2.008 ( -6.884 0.000 -4.229) 8.080 2.188 ( 14.077 0.000 11.848) 18.400 2.285 ( 1.479 0.000 -1.724) 2.272 2.423 ( -9.589 0.000 6.294) 11.470 2.533 ( -6.473 0.000 -17.937) 19.069 2.691 ( 29.481 0.000 -6.553) 30.200 2.961 ( 6.197 0.000 -5.302) 8.155 3.001 ( 3.730 0.000 -1.926) 4.198 3.086 ( -3.440 0.000 0.611) 3.494 3.194 ( -0.490 0.000 -5.879) 5.900 3.207 ( -3.157 0.000 17.377) 17.661 3.309 ( -10.841 0.000 7.327) 13.085 3.440 ( -8.858 0.000 2.262) 9.142 3.784 ( 1.861 0.000 0.141) 1.866 3.834 ( 1.133 0.000 0.558) 1.263 3.848 ( -5.716 0.000 1.422) 5.890 3.895 ( -2.197 0.000 -3.956) 4.525 3.972 ( 1.767 0.000 -0.887) 1.977 3.983 ( -0.189 0.000 -1.510) 1.522 4.059 ( 1.041 0.000 4.719) 4.832 4.123 ( -4.695 0.000 -2.038) 5.119 4.226 ( 2.204 0.000 -2.174) 3.095 4.281 ( -4.320 0.000 0.423) 4.341 4.491 ( 5.647 0.000 0.900) 5.718 4.572 ( 0.077 0.000 -2.210) 2.211 4.744 ( -0.105 0.000 0.292) 0.311 4.817 ( -6.647 0.000 1.944) 6.926 5.114 ( -0.037 0.000 -2.417) 2.417 5.133 ( -2.715 0.000 -0.793) 2.829 5.473 ( 3.497 0.000 3.446) 4.909 5.580 ( -5.141 0.000 -3.653) 6.306 5.651 ( 2.783 0.000 -4.443) 5.243 5.669 ( -1.913 0.000 4.729) 5.102 5.930 ( -2.346 0.000 0.365) 2.375 5.930 ( -0.261 0.000 -3.867) 3.876 6.065 ( -2.398 0.000 8.231) 8.573 6.124 ( -2.480 0.000 -6.436) 6.897 6.499 ( -2.016 0.000 5.494) 5.852 6.506 ( 0.483 0.000 -4.345) 4.372 7.033 ( 3.680 0.000 -4.585) 5.879 7.051 ( 2.315 0.000 -4.550) 5.105 7.067 ( 0.214 0.000 2.800) 2.808 7.087 ( -2.971 0.000 8.852) 9.338 7.302 ( 0.080 0.000 -4.155) 4.156 7.305 ( -2.141 0.000 2.417) 3.229 7.579 ( 3.988 0.000 -5.051) 6.436 7.580 ( 0.534 0.000 4.808) 4.837 7.830 ( 3.941 0.000 2.598) 4.720 7.896 ( -1.253 0.000 -2.880) 3.141 8.495 ( 4.680 0.000 1.386) 4.880 8.543 ( 0.603 0.000 -1.717) 1.820 8.662 ( 14.390 0.000 -2.843) 14.668 8.838 ( -6.832 0.000 4.786) 8.342 9.263 ( 2.227 0.000 10.821) 11.048 9.318 ( 2.052 0.000 -8.112) 8.368 9.671 ( 3.399 0.000 4.116) 5.338 9.674 ( 5.857 0.000 -4.651) 7.479 9.942 ( 0.709 0.000 -1.070) 1.284 9.964 ( -2.667 0.000 1.659) 3.141 10.355 ( 3.243 0.000 -0.329) 3.259 10.397 ( 0.081 0.000 -0.282) 0.294 10.602 ( -0.308 0.000 8.057) 8.063 10.734 ( -6.121 0.000 -9.634) 11.415 10.826 ( -0.161 0.000 3.274) 3.278 10.848 ( -1.081 0.000 -3.278) 3.452 11.175 ( -0.705 0.000 6.523) 6.561 11.214 ( -0.993 0.000 -3.351) 3.495 11.547 ( 1.983 0.000 1.778) 2.663 11.610 ( -5.236 0.000 -0.979) 5.327 11.811 ( -0.495 0.000 -0.046) 0.497 11.841 ( -3.133 0.000 -3.824) 4.944 13.113 ( 2.562 0.000 3.302) 4.179 13.280 ( -11.880 0.000 -6.221) 13.410 13.590 ( 2.477 0.000 -8.392) 8.750 13.604 ( -4.950 0.000 9.779) 10.960 15.018 ( -0.422 0.000 13.550) 13.557 15.050 ( 0.821 0.000 12.947) 12.973 15.185 ( 7.119 0.000 -14.281) 15.957 15.272 ( 3.571 0.000 -14.449) 14.884 16.076 ( 5.411 0.000 5.179) 7.490 16.218 ( -7.157 0.000 -1.804) 7.381 17.270 ( 18.775 0.000 -4.038) 19.204 17.323 ( 3.110 0.000 25.661) 25.848 18.139 ( 3.171 0.000 13.416) 13.786 18.567 ( -26.355 0.000 -37.760) 46.048 19.724 ( 19.853 0.000 5.769) 20.674 20.109 ( -20.706 0.000 -1.985) 20.801 21.534 ( 9.972 0.000 -0.479) 9.983 21.540 ( 8.971 0.000 0.196) 8.974 21.760 ( -6.711 0.000 0.395) 6.723 21.765 ( -7.057 0.000 -0.249) 7.061 ======================= Grid point 134 (60/75) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.941 15.401 -14.528) 21.260 0.971 ( 1.941 15.401 14.528) 21.260 1.224 ( -2.277 17.559 -16.105) 23.934 1.224 ( 2.277 17.559 16.105) 23.934 2.018 ( -2.264 2.962 -11.492) 12.082 2.018 ( 2.264 2.962 11.492) 12.082 2.300 ( 4.902 3.338 -16.016) 17.079 2.300 ( -4.902 3.338 16.016) 17.079 2.572 ( 3.460 3.586 -5.164) 7.176 2.572 ( -3.460 3.586 5.164) 7.176 2.712 ( -2.113 0.352 -6.486) 6.831 2.712 ( 2.113 0.352 6.486) 6.831 2.994 ( -4.847 -0.432 -3.375) 5.922 2.994 ( 4.847 -0.432 3.375) 5.922 3.338 ( 9.657 -4.642 -5.606) 12.092 3.338 ( -9.657 -4.642 5.606) 12.092 3.547 ( -3.394 -7.167 -1.537) 8.078 3.547 ( 3.394 -7.167 1.537) 8.078 3.639 ( -6.402 -2.585 0.819) 6.953 3.639 ( 6.402 -2.585 -0.819) 6.953 3.925 ( 1.658 0.171 -2.018) 2.617 3.925 ( -1.658 0.171 2.018) 2.617 4.004 ( -2.172 -3.140 -3.260) 5.021 4.004 ( 2.172 -3.140 3.260) 5.021 4.136 ( 0.380 -5.535 -0.566) 5.577 4.136 ( -0.380 -5.535 0.566) 5.577 4.274 ( 1.756 -1.634 -2.481) 3.451 4.274 ( -1.756 -1.634 2.481) 3.451 4.588 ( -0.777 9.676 -4.697) 10.783 4.588 ( 0.777 9.676 4.697) 10.783 5.042 ( -5.166 -3.076 0.390) 6.025 5.042 ( 5.166 -3.076 -0.390) 6.025 5.382 ( 0.135 5.622 -6.740) 8.778 5.382 ( -0.135 5.622 6.740) 8.778 5.437 ( 1.234 -1.588 -0.969) 2.233 5.437 ( -1.234 -1.588 0.969) 2.233 5.813 ( -0.525 -5.929 -10.623) 12.177 5.813 ( 0.525 -5.929 10.623) 12.177 5.954 ( 3.963 -0.021 -7.758) 8.712 5.954 ( -3.963 -0.021 7.758) 8.712 6.454 ( -0.435 -3.055 -0.204) 3.093 6.454 ( 0.435 -3.055 0.204) 3.093 6.653 ( -6.215 -2.806 -3.234) 7.546 6.653 ( 6.215 -2.806 3.234) 7.546 6.926 ( 8.748 -3.526 -6.696) 11.567 6.926 ( -8.748 -3.526 6.696) 11.567 7.091 ( -4.210 -6.085 -0.627) 7.426 7.091 ( 4.210 -6.085 0.627) 7.426 7.193 ( -0.890 5.643 -4.743) 7.425 7.193 ( 0.890 5.643 4.743) 7.425 7.324 ( -4.811 1.562 -3.332) 6.057 7.324 ( 4.811 1.562 3.332) 6.057 7.604 ( 0.917 0.062 -4.226) 4.324 7.604 ( -0.917 0.062 4.226) 4.324 8.191 ( -4.953 11.885 0.648) 12.892 8.191 ( 4.953 11.885 -0.648) 12.892 8.298 ( -0.837 7.953 -0.773) 8.034 8.298 ( 0.837 7.953 0.773) 8.034 9.227 ( 3.386 0.977 -6.700) 7.570 9.227 ( -3.386 0.977 6.700) 7.570 9.431 ( 0.733 -1.638 -4.413) 4.765 9.431 ( -0.733 -1.638 4.413) 4.765 10.049 ( -0.647 5.133 -5.782) 7.759 10.049 ( 0.647 5.133 5.782) 7.759 10.409 ( 0.259 2.779 -1.469) 3.154 10.409 ( -0.259 2.779 1.469) 3.154 10.763 ( 5.158 0.387 -10.840) 12.010 10.763 ( -5.158 0.387 10.840) 12.010 10.900 ( -2.666 1.196 -9.297) 9.746 10.900 ( 2.666 1.196 9.297) 9.746 11.278 ( -0.302 -1.485 -3.036) 3.393 11.278 ( 0.302 -1.485 3.036) 3.393 11.688 ( -5.773 1.771 -1.975) 6.353 11.688 ( 5.773 1.771 1.975) 6.353 12.076 ( 2.024 -3.950 -7.468) 8.687 12.076 ( -2.024 -3.950 7.468) 8.687 13.675 ( -0.525 6.660 -18.427) 19.601 13.675 ( 0.525 6.660 18.427) 19.601 13.889 ( -7.034 -7.698 0.619) 10.446 13.889 ( 7.034 -7.698 -0.619) 10.446 14.578 ( -12.228 -0.521 -1.076) 12.286 14.578 ( 12.228 -0.521 1.076) 12.286 15.004 ( 1.310 -3.444 -12.243) 12.785 15.004 ( -1.310 -3.444 12.243) 12.785 15.813 ( -9.392 -4.437 -0.760) 10.415 15.813 ( 9.392 -4.437 0.760) 10.415 16.774 ( 2.867 17.008 -4.128) 17.735 16.774 ( -2.867 17.008 4.128) 17.735 18.500 ( -9.830 -4.248 -17.324) 20.366 18.500 ( 9.830 -4.248 17.324) 20.366 20.641 ( -5.979 -9.733 -17.386) 20.803 20.641 ( 5.979 -9.733 17.386) 20.803 21.190 ( 0.605 5.709 -3.544) 6.747 21.190 ( -0.605 5.709 3.544) 6.747 21.969 ( -0.083 0.382 -0.072) 0.397 21.969 ( 0.083 0.382 0.072) 0.397 ======================= Grid point 136 (61/75) ======================= q-point: ( 0.14 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 12.519 12.639 -11.782) 21.337 1.207 ( 10.700 16.278 -11.339) 22.540 1.264 ( 17.011 9.266 12.373) 22.986 1.450 ( 12.651 13.477 13.324) 22.786 1.913 ( -0.050 1.033 -9.740) 9.794 2.100 ( 6.223 9.013 -9.553) 14.533 2.261 ( -4.570 1.109 4.210) 6.312 2.365 ( 1.031 1.664 -1.988) 2.790 2.509 ( -5.191 3.197 -2.836) 6.724 2.609 ( 2.518 4.377 16.607) 17.358 2.678 ( 2.978 0.273 -6.349) 7.018 2.763 ( -1.996 2.299 4.031) 5.052 2.876 ( -3.247 -0.456 0.666) 3.346 3.101 ( 2.611 -3.830 -4.114) 6.197 3.161 ( -10.596 -0.796 6.445) 12.428 3.377 ( -3.473 -2.560 -5.336) 6.862 3.503 ( -2.063 -6.217 3.021) 7.214 3.580 ( 1.753 -2.884 -0.950) 3.506 3.662 ( 6.252 -7.967 1.649) 10.261 3.737 ( 4.127 -3.066 0.210) 5.145 3.879 ( -4.994 0.406 3.683) 6.218 3.902 ( -2.952 -3.856 -0.141) 4.858 3.968 ( 1.216 0.501 -2.968) 3.246 4.031 ( -1.716 -4.180 2.508) 5.167 4.116 ( -2.500 -1.817 -0.640) 3.156 4.155 ( 1.832 -7.471 -1.450) 7.828 4.256 ( -1.064 -5.383 0.616) 5.522 4.273 ( 0.177 -0.112 -1.286) 1.303 4.516 ( -4.302 11.428 -1.681) 12.326 4.616 ( -0.232 8.052 2.165) 8.341 4.953 ( -4.945 -0.753 3.584) 6.153 5.077 ( -2.439 -1.461 -1.008) 3.017 5.285 ( -5.582 3.009 -5.653) 8.495 5.335 ( -4.149 4.235 -3.817) 7.051 5.431 ( -2.342 0.689 2.892) 3.784 5.475 ( 0.510 -6.943 6.602) 9.595 5.713 ( -2.997 -3.991 -7.124) 8.698 5.791 ( -7.018 -0.857 6.288) 9.462 5.933 ( -0.268 -2.897 3.651) 4.669 5.942 ( 0.258 1.781 -8.700) 8.885 6.335 ( -9.479 -5.536 0.303) 10.982 6.434 ( -6.256 0.910 -1.162) 6.428 6.545 ( -3.536 -3.332 -1.162) 4.995 6.679 ( -10.406 2.979 1.341) 10.907 6.809 ( 1.978 -7.251 0.860) 7.565 6.989 ( -0.102 -2.642 4.648) 5.347 7.040 ( 0.429 -1.285 -1.300) 1.878 7.063 ( 5.264 -1.503 0.406) 5.490 7.225 ( -2.328 2.658 -2.026) 4.073 7.292 ( 4.473 -4.885 -0.556) 6.646 7.389 ( 9.072 3.623 3.239) 10.292 7.537 ( 8.592 2.575 1.281) 9.060 7.639 ( 2.987 -4.440 -2.698) 5.993 7.747 ( 12.541 2.552 1.936) 12.944 8.226 ( 11.545 8.650 2.584) 14.656 8.269 ( 8.055 9.397 -2.271) 12.584 8.384 ( 9.185 7.311 0.241) 11.742 8.426 ( 10.076 7.588 0.466) 12.622 9.194 ( -3.220 0.893 4.852) 5.891 9.273 ( 4.699 1.596 -5.201) 7.189 9.436 ( 3.147 -2.626 -2.714) 4.916 9.480 ( 3.436 -0.500 1.802) 3.912 9.980 ( -2.586 3.817 -3.418) 5.739 10.084 ( -0.499 3.990 2.105) 4.538 10.368 ( -3.122 1.092 -0.806) 3.404 10.426 ( 0.768 4.140 0.143) 4.213 10.721 ( -5.528 1.544 7.655) 9.568 10.792 ( 4.016 0.258 -8.058) 9.007 10.815 ( -1.401 -0.706 -4.510) 4.775 10.992 ( 0.424 2.679 9.877) 10.243 11.225 ( -3.269 -2.049 -0.741) 3.928 11.294 ( -0.529 -0.356 0.062) 0.641 11.565 ( -6.825 1.601 0.987) 7.080 11.768 ( 1.027 0.435 2.207) 2.473 11.988 ( -6.228 -1.736 -4.605) 7.938 12.041 ( -4.007 -3.463 -2.062) 5.683 13.444 ( -11.892 -0.729 -14.508) 18.773 13.713 ( -5.899 7.386 13.059) 16.121 13.778 ( -2.648 6.185 -1.295) 6.852 13.925 ( -7.923 -0.192 -1.643) 8.094 14.511 ( 6.528 -9.418 2.747) 11.784 14.763 ( 5.366 -0.735 9.498) 10.934 14.937 ( -0.556 -7.574 2.674) 8.052 15.139 ( 7.316 -3.546 -6.839) 10.624 15.721 ( 0.504 -10.052 0.541) 10.080 16.145 ( 23.156 -5.945 -1.551) 23.957 16.764 ( 1.558 16.922 5.334) 17.811 16.866 ( 7.038 16.824 -0.459) 18.243 18.253 ( -7.077 -5.074 -12.020) 14.843 18.846 ( 16.680 -4.441 15.834) 23.423 20.215 ( -27.101 -4.960 -20.349) 34.251 20.701 ( -9.211 -5.156 8.005) 13.248 21.181 ( 3.858 3.619 0.167) 5.292 21.279 ( 6.599 5.375 -0.097) 8.512 21.943 ( -2.593 0.535 0.155) 2.652 21.955 ( -1.944 0.496 -0.193) 2.015 ======================= Grid point 137 (62/75) ======================= q-point: ( 0.29 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 14.860 9.549 -7.543) 19.206 1.382 ( 13.250 6.645 -14.612) 20.814 1.575 ( 9.911 5.295 10.277) 15.228 1.758 ( 7.209 0.589 7.006) 10.070 1.933 ( 7.178 6.280 9.681) 13.589 2.126 ( -5.950 0.375 -1.884) 6.252 2.237 ( -6.851 3.530 -3.784) 8.585 2.310 ( 13.694 12.741 -7.073) 19.997 2.420 ( 0.273 2.530 -3.896) 4.653 2.660 ( -9.472 3.816 1.810) 10.371 2.713 ( 1.626 2.487 -8.614) 9.112 2.813 ( 10.090 1.648 1.214) 10.296 2.934 ( 5.854 -1.543 14.142) 15.384 2.975 ( -5.042 -2.888 0.912) 5.881 3.170 ( 1.139 -1.320 0.126) 1.748 3.232 ( -7.291 -1.295 -2.625) 7.857 3.469 ( -5.504 -4.351 3.458) 7.822 3.590 ( -3.820 0.779 0.533) 3.935 3.732 ( -0.052 -5.120 0.155) 5.123 3.778 ( 0.817 -6.414 1.240) 6.584 3.836 ( -3.250 -2.807 -0.449) 4.318 3.859 ( 1.655 -2.473 1.546) 3.354 3.977 ( -0.900 -1.320 2.157) 2.684 4.006 ( -0.607 -0.664 -0.328) 0.958 4.051 ( -3.614 -0.378 0.447) 3.661 4.159 ( -1.664 -10.256 -1.225) 10.462 4.217 ( -1.643 -1.966 -2.283) 3.432 4.276 ( -1.700 -0.909 0.391) 1.967 4.455 ( 0.077 8.086 -0.019) 8.087 4.621 ( 0.609 6.018 -0.654) 6.084 4.887 ( -5.671 4.360 1.677) 7.347 4.976 ( -5.510 1.767 -0.741) 5.834 5.153 ( -5.109 -1.289 -2.821) 5.977 5.228 ( -4.921 2.589 -3.745) 6.704 5.410 ( 0.012 -1.252 0.669) 1.419 5.511 ( -0.271 -8.882 4.563) 9.990 5.662 ( -0.492 -0.852 -0.020) 0.984 5.739 ( -2.556 1.256 2.428) 3.743 5.884 ( -0.212 -0.088 -7.885) 7.888 5.955 ( 0.592 -2.118 1.205) 2.508 6.142 ( -10.745 -5.069 -1.784) 12.014 6.246 ( -11.091 2.187 -0.701) 11.326 6.515 ( -0.475 -0.940 0.752) 1.294 6.561 ( -3.019 1.991 0.605) 3.666 6.869 ( 3.788 -7.535 -0.475) 8.447 7.014 ( -0.379 -2.039 4.156) 4.645 7.049 ( 1.074 -1.671 -0.210) 1.998 7.146 ( -5.054 -3.447 0.849) 6.176 7.200 ( 6.605 5.498 1.050) 8.657 7.401 ( 8.416 -4.128 -0.531) 9.389 7.505 ( 0.611 7.158 -1.065) 7.262 7.620 ( 1.689 5.201 0.745) 5.519 7.668 ( 4.746 -6.317 -0.755) 7.937 7.903 ( 3.591 0.906 -0.903) 3.812 8.436 ( 11.873 7.365 0.387) 13.977 8.476 ( 11.603 7.615 -2.763) 14.151 8.582 ( 6.883 8.234 -1.364) 10.818 8.688 ( 15.876 -2.579 10.784) 19.365 9.174 ( -2.042 0.773 6.709) 7.056 9.325 ( 4.580 1.821 -6.539) 8.188 9.513 ( 7.104 -3.219 -2.978) 8.349 9.572 ( 5.528 0.151 1.714) 5.789 9.933 ( -0.943 1.379 -1.325) 2.133 10.054 ( -3.371 1.758 -0.221) 3.808 10.305 ( -2.406 -1.329 -1.045) 2.940 10.435 ( -0.732 2.494 1.408) 2.956 10.670 ( -3.028 4.742 4.370) 7.124 10.794 ( 0.026 -1.072 -0.375) 1.136 10.811 ( 3.165 0.470 -7.234) 7.910 11.003 ( -4.747 4.828 4.424) 8.088 11.168 ( -3.477 -1.580 3.660) 5.290 11.257 ( -2.621 0.584 -1.549) 3.100 11.494 ( -2.128 -1.534 3.284) 4.203 11.707 ( -7.714 -3.659 -2.037) 8.777 11.879 ( -2.476 2.935 -2.105) 4.380 11.938 ( -4.795 -1.413 -3.805) 6.282 13.192 ( -7.879 1.468 -4.772) 9.328 13.575 ( -13.916 2.071 -0.590) 14.082 13.739 ( 0.012 11.587 -4.508) 12.433 13.786 ( -5.270 11.618 4.619) 13.568 14.688 ( 8.437 -12.667 6.235) 16.447 14.923 ( -1.898 -4.519 16.177) 16.904 14.981 ( 8.875 -11.862 -3.792) 15.292 15.168 ( 3.344 -5.783 -13.017) 14.631 15.798 ( 5.474 -12.933 8.109) 16.217 16.411 ( 5.383 -2.218 -7.932) 9.839 16.961 ( 14.974 6.285 9.568) 18.849 17.023 ( 9.958 12.373 2.715) 16.112 18.124 ( -1.621 -2.363 -1.783) 3.375 19.256 ( 18.573 -7.229 13.167) 23.887 19.515 ( -32.629 9.310 -26.886) 43.291 20.459 ( -19.244 -1.292 2.014) 19.392 21.318 ( 10.295 0.484 -0.017) 10.306 21.424 ( 9.220 3.963 0.148) 10.036 21.875 ( -5.242 0.649 0.096) 5.283 21.898 ( -4.355 1.456 -0.030) 4.592 ======================= Grid point 138 (63/75) ======================= q-point: ( 0.43 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 8.247 5.109 4.734) 10.795 1.471 ( 7.996 2.637 -16.762) 18.758 1.712 ( 4.638 -2.111 -0.251) 5.102 1.877 ( 4.491 5.560 8.773) 11.316 1.918 ( -12.927 -0.559 4.773) 13.791 2.056 ( -7.095 3.817 -4.474) 9.216 2.246 ( 11.920 5.205 9.416) 16.057 2.338 ( -0.268 4.720 0.875) 4.808 2.476 ( -8.969 4.735 6.422) 12.005 2.571 ( -6.049 2.158 -16.313) 17.532 2.791 ( 27.182 10.383 -5.663) 29.643 2.943 ( 5.036 -3.972 -0.524) 6.435 2.992 ( 3.157 -0.563 -2.553) 4.099 3.084 ( -1.649 0.238 -1.546) 2.273 3.179 ( 0.585 -1.967 -5.312) 5.695 3.203 ( 5.423 0.022 12.301) 13.443 3.290 ( -15.617 0.166 5.352) 16.509 3.435 ( -11.058 -0.600 1.460) 11.170 3.749 ( 1.759 -3.528 -0.053) 3.942 3.774 ( -1.650 -4.258 0.390) 4.583 3.819 ( 1.840 -1.993 2.732) 3.849 3.899 ( -1.225 -2.101 -0.883) 2.587 3.946 ( -0.437 -4.189 -0.406) 4.231 3.991 ( -3.873 -4.172 0.510) 5.715 4.023 ( 1.760 -0.233 0.681) 1.901 4.077 ( -3.653 -1.675 -2.268) 4.615 4.206 ( 1.300 -1.627 -1.279) 2.444 4.235 ( -2.268 -1.511 0.518) 2.774 4.515 ( 5.079 2.470 0.293) 5.655 4.605 ( -3.326 2.476 -0.885) 4.239 4.822 ( 0.998 6.211 -1.088) 6.384 4.888 ( -5.339 5.652 1.071) 7.848 5.098 ( -0.253 -2.055 0.135) 2.075 5.134 ( -3.209 0.248 -2.381) 4.004 5.452 ( 3.666 -2.272 1.020) 4.432 5.514 ( -2.278 -5.857 1.943) 6.578 5.666 ( 0.268 0.381 0.557) 0.726 5.691 ( -2.229 1.937 -1.229) 3.199 5.872 ( 1.736 -3.951 -1.297) 4.506 5.930 ( -4.348 -1.704 -1.425) 4.882 6.021 ( 0.708 -3.349 -0.877) 3.533 6.087 ( -6.512 -0.183 0.478) 6.533 6.523 ( 0.237 1.142 1.869) 2.203 6.537 ( -0.385 1.945 -1.013) 2.227 6.938 ( 4.652 -8.105 -1.595) 9.480 7.008 ( -4.086 -7.128 3.405) 8.894 7.055 ( 2.213 -0.130 -4.355) 4.887 7.081 ( -3.206 0.978 3.745) 5.026 7.322 ( 5.787 5.681 2.840) 8.592 7.435 ( -4.731 6.785 -3.359) 8.928 7.542 ( 6.504 -1.529 -0.098) 6.682 7.619 ( -2.155 2.158 0.020) 3.050 7.788 ( 6.390 -3.353 2.092) 7.513 7.890 ( -3.210 -0.757 -2.038) 3.877 8.581 ( 5.217 8.025 0.756) 9.601 8.635 ( 0.236 8.579 -1.201) 8.665 8.702 ( 12.725 4.079 -3.130) 13.725 8.841 ( -3.875 0.911 4.971) 6.368 9.243 ( 3.395 -1.303 9.698) 10.358 9.331 ( 0.199 0.691 -7.760) 7.793 9.631 ( 6.524 -3.086 -1.429) 7.357 9.668 ( 2.593 -1.076 0.907) 2.950 9.925 ( 0.341 0.043 0.946) 1.006 9.975 ( -4.106 0.040 -1.503) 4.372 10.309 ( 3.810 -3.204 -0.771) 5.038 10.394 ( -4.930 -2.037 1.473) 5.534 10.696 ( 2.521 8.650 6.024) 10.838 10.781 ( -0.096 2.525 -7.531) 7.944 10.827 ( 1.725 0.671 -1.130) 2.169 10.890 ( -7.093 5.084 0.706) 8.755 11.162 ( -0.828 -1.204 7.015) 7.166 11.205 ( -1.470 -0.850 -3.968) 4.316 11.507 ( 1.368 -4.045 1.444) 4.508 11.567 ( -5.264 -4.193 -1.216) 6.839 11.841 ( -0.833 2.413 -1.237) 2.837 11.853 ( -2.411 1.154 -1.510) 3.070 13.145 ( 2.624 3.437 4.694) 6.383 13.313 ( -10.974 3.555 -7.472) 13.745 13.728 ( 1.756 12.887 -4.485) 13.758 13.745 ( -3.359 12.918 5.436) 14.412 14.861 ( 3.774 -12.781 13.248) 18.791 14.947 ( 2.008 -9.435 -8.278) 12.711 15.060 ( -0.714 -11.602 9.425) 14.965 15.130 ( 0.919 -9.822 -13.913) 17.055 16.024 ( 11.548 -7.211 13.938) 19.484 16.299 ( -8.747 -0.689 -12.198) 15.026 17.195 ( 2.677 -0.553 17.027) 17.245 17.233 ( 10.691 -1.899 -13.164) 17.065 18.257 ( 13.125 8.786 18.689) 24.469 18.783 ( -27.934 12.490 -28.302) 41.681 19.684 ( 20.543 -2.203 8.477) 22.332 20.090 ( -21.185 -1.316 -3.088) 21.450 21.507 ( 9.704 -1.033 0.059) 9.759 21.572 ( 5.106 0.860 -0.107) 5.179 21.773 ( -4.571 2.196 0.024) 5.071 21.805 ( -5.716 2.992 0.117) 6.453 ======================= Grid point 142 (64/75) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.204 18.664 -10.045) 21.230 1.320 ( 1.204 18.664 10.045) 21.230 1.547 ( -0.550 13.043 -15.223) 20.054 1.547 ( 0.550 13.043 15.223) 20.054 2.099 ( -8.248 4.398 -4.439) 10.347 2.099 ( 8.248 4.398 4.439) 10.347 2.372 ( 1.902 3.302 -8.210) 9.051 2.372 ( -1.902 3.302 8.210) 9.051 2.675 ( 5.075 1.814 -6.340) 8.321 2.675 ( -5.075 1.814 6.340) 8.321 2.734 ( 6.404 7.240 -3.358) 10.233 2.734 ( -6.404 7.240 3.358) 10.233 2.986 ( -3.234 -0.092 -6.975) 7.689 2.986 ( 3.234 -0.092 6.975) 7.689 3.236 ( 4.593 -6.756 -6.445) 10.405 3.236 ( -4.593 -6.756 6.445) 10.405 3.389 ( -0.862 -6.677 -0.723) 6.771 3.389 ( 0.862 -6.677 0.723) 6.771 3.581 ( -1.754 -3.522 -6.744) 7.808 3.581 ( 1.754 -3.522 6.744) 7.808 3.804 ( -2.963 -8.114 -1.040) 8.700 3.804 ( 2.963 -8.114 1.040) 8.700 4.028 ( -0.460 -2.434 -4.233) 4.905 4.028 ( 0.460 -2.434 4.233) 4.905 4.082 ( 0.048 5.994 -6.042) 8.511 4.082 ( -0.048 5.994 6.042) 8.511 4.291 ( 4.572 1.804 -4.911) 6.948 4.291 ( -4.572 1.804 4.911) 6.948 4.731 ( -0.032 2.973 -3.389) 4.509 4.731 ( 0.032 2.973 3.389) 4.509 4.949 ( -3.943 -3.380 -1.921) 5.537 4.949 ( 3.943 -3.380 1.921) 5.537 5.373 ( 1.176 -4.267 -0.827) 4.502 5.373 ( -1.176 -4.267 0.827) 4.502 5.483 ( -1.915 1.361 -9.755) 10.034 5.483 ( 1.915 1.361 9.755) 10.034 5.718 ( -0.739 -2.336 -8.805) 9.140 5.718 ( 0.739 -2.336 8.805) 9.140 5.919 ( 5.391 -3.469 -5.570) 8.492 5.919 ( -5.391 -3.469 5.570) 8.492 6.387 ( -3.345 -2.513 -0.336) 4.198 6.387 ( 3.345 -2.513 0.336) 4.198 6.622 ( -2.248 -1.014 -2.078) 3.225 6.622 ( 2.248 -1.014 2.078) 3.225 6.850 ( 4.741 -5.050 -6.821) 9.722 6.850 ( -4.741 -5.050 6.821) 9.722 6.938 ( -5.094 -7.013 -0.382) 8.676 6.938 ( 5.094 -7.013 0.382) 8.676 7.300 ( -6.548 4.466 -5.619) 9.715 7.300 ( 6.548 4.466 5.619) 9.715 7.378 ( -3.803 4.210 -1.827) 5.960 7.378 ( 3.803 4.210 1.827) 5.960 7.643 ( -2.626 3.067 -4.813) 6.283 7.643 ( 2.626 3.067 4.813) 6.283 8.435 ( -4.732 12.047 0.114) 12.943 8.435 ( 4.732 12.047 -0.114) 12.943 8.491 ( 0.266 10.318 -0.463) 10.332 8.491 ( -0.266 10.318 0.463) 10.332 9.253 ( 0.797 1.695 -4.116) 4.522 9.253 ( -0.797 1.695 4.116) 4.522 9.436 ( 0.085 2.090 -2.570) 3.314 9.436 ( -0.085 2.090 2.570) 3.314 10.100 ( -0.672 0.784 -2.620) 2.816 10.100 ( 0.672 0.784 2.620) 2.816 10.437 ( -1.721 -0.184 -2.354) 2.922 10.437 ( 1.721 -0.184 2.354) 2.922 10.770 ( 3.457 -0.022 -8.299) 8.990 10.770 ( -3.457 -0.022 8.299) 8.990 10.945 ( -1.623 2.648 -14.667) 14.992 10.945 ( 1.623 2.648 14.667) 14.992 11.234 ( -0.389 -3.134 -3.691) 4.857 11.234 ( 0.389 -3.134 3.691) 4.857 11.710 ( -5.665 0.329 -0.822) 5.734 11.710 ( 5.665 0.329 0.822) 5.734 12.001 ( 3.455 -3.238 -10.798) 11.791 12.001 ( -3.455 -3.238 10.798) 11.791 13.582 ( -8.804 -11.120 -7.223) 15.916 13.582 ( 8.804 -11.120 7.223) 15.916 13.976 ( 0.217 10.181 -6.100) 11.870 13.976 ( -0.217 10.181 6.100) 11.870 14.586 ( -8.804 2.232 -0.764) 9.114 14.586 ( 8.804 2.232 0.764) 9.114 14.980 ( -0.808 2.293 -8.302) 8.650 14.980 ( 0.808 2.293 8.302) 8.650 15.751 ( -12.498 -0.870 2.703) 12.817 15.751 ( 12.498 -0.870 -2.703) 12.817 17.098 ( 5.577 13.632 -6.064) 15.928 17.098 ( -5.577 13.632 6.064) 15.928 18.332 ( -8.024 -12.598 -22.679) 27.156 18.332 ( 8.024 -12.598 22.679) 27.156 20.525 ( -4.421 -1.769 -21.313) 21.838 20.525 ( 4.421 -1.769 21.313) 21.838 21.251 ( -0.139 0.789 -4.639) 4.708 21.251 ( 0.139 0.789 4.639) 4.708 21.980 ( -0.158 0.671 -0.337) 0.767 21.980 ( 0.158 0.671 0.337) 0.767 ======================= Grid point 144 (65/75) ======================= q-point: ( 0.14 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 8.431 18.377 -9.006) 22.133 1.477 ( 5.269 12.195 -7.762) 15.386 1.531 ( 11.515 13.954 3.022) 18.342 1.672 ( 3.940 8.671 8.771) 12.947 1.987 ( -2.745 5.389 3.851) 7.169 2.261 ( 0.641 4.822 0.404) 4.882 2.331 ( 5.605 5.063 1.274) 7.660 2.398 ( 0.035 2.336 -4.170) 4.779 2.574 ( -6.379 2.628 -1.276) 7.016 2.681 ( -1.773 -0.395 9.250) 9.427 2.747 ( 3.997 8.765 -1.744) 9.790 2.835 ( 0.865 3.676 -0.837) 3.868 2.868 ( 1.713 2.910 -3.071) 4.565 3.033 ( -4.566 -1.190 -0.680) 4.768 3.156 ( -4.512 -1.058 3.915) 6.066 3.273 ( 2.422 -8.174 -4.556) 9.666 3.382 ( -1.727 -4.698 -0.456) 5.026 3.463 ( 6.826 -10.374 -1.211) 12.477 3.516 ( -0.120 -6.229 -2.277) 6.633 3.646 ( 0.223 -2.868 7.131) 7.689 3.753 ( -2.094 -8.147 1.584) 8.560 3.858 ( 1.790 -3.109 0.612) 3.639 3.999 ( 0.011 -4.794 -3.905) 6.183 4.033 ( -1.412 3.606 -4.246) 5.747 4.060 ( -1.976 0.194 4.421) 4.846 4.082 ( -2.412 3.212 1.726) 4.372 4.221 ( -3.969 0.397 4.356) 5.906 4.305 ( 0.089 3.011 -5.769) 6.508 4.709 ( -0.329 3.096 -0.174) 3.119 4.727 ( -4.318 6.804 2.089) 8.325 4.899 ( 0.012 -5.642 1.085) 5.745 5.005 ( 0.080 -2.259 1.580) 2.758 5.285 ( -6.754 -5.692 -6.768) 11.128 5.326 ( -4.085 -1.551 -3.457) 5.572 5.390 ( -2.641 -2.377 -0.650) 3.612 5.480 ( -7.909 1.412 8.011) 11.345 5.661 ( -0.367 -0.430 -5.287) 5.317 5.777 ( -0.301 -0.567 7.404) 7.432 5.854 ( -3.386 -3.548 3.917) 6.276 5.937 ( 1.047 -3.566 -8.707) 9.467 6.268 ( -7.910 0.335 0.446) 7.930 6.428 ( 0.334 -1.845 -1.237) 2.247 6.537 ( -6.318 2.573 -1.383) 6.960 6.663 ( -1.044 -7.035 1.269) 7.224 6.711 ( -8.889 -0.386 4.251) 9.861 6.869 ( 0.219 -9.215 1.414) 9.325 6.942 ( 5.236 -6.968 -2.709) 9.127 7.030 ( 4.805 0.288 -0.431) 4.833 7.228 ( 1.460 -2.542 -0.410) 2.960 7.344 ( 1.230 6.761 -2.044) 7.170 7.448 ( 4.943 3.397 6.183) 8.613 7.560 ( 8.700 0.273 -0.440) 8.716 7.630 ( 4.456 3.520 -2.452) 6.186 7.794 ( 10.286 1.906 1.682) 10.595 8.427 ( 5.944 11.115 0.930) 12.639 8.488 ( 4.844 11.644 -1.567) 12.708 8.564 ( 6.642 9.375 -1.257) 11.558 8.606 ( 10.057 9.734 0.336) 14.000 9.227 ( -1.470 2.498 1.805) 3.414 9.308 ( 3.696 1.879 -0.832) 4.229 9.416 ( 1.086 0.767 -1.264) 1.834 9.492 ( 3.701 1.656 0.543) 4.091 10.033 ( -3.918 1.507 -1.434) 4.436 10.113 ( -0.936 0.168 -0.705) 1.184 10.365 ( -4.473 -0.850 -1.574) 4.818 10.460 ( -1.059 -0.896 1.771) 2.250 10.770 ( -1.186 0.913 5.244) 5.453 10.788 ( 2.094 -0.063 -4.289) 4.774 10.844 ( 0.418 3.905 -11.347) 12.008 11.047 ( -0.143 1.994 13.757) 13.901 11.183 ( -3.108 -2.733 -0.832) 4.221 11.255 ( -0.592 -3.430 2.388) 4.222 11.582 ( -7.732 -0.166 -0.440) 7.746 11.758 ( -1.277 -1.005 -1.992) 2.571 11.957 ( -4.751 -2.252 3.094) 6.100 11.984 ( -1.279 -1.376 -2.077) 2.801 13.376 ( -8.543 -5.189 -7.667) 12.598 13.715 ( 0.015 -7.590 2.940) 8.139 13.958 ( 1.257 9.046 -3.507) 9.783 14.014 ( 2.482 7.051 2.316) 7.826 14.446 ( -4.935 4.769 1.379) 7.000 14.708 ( 2.119 -3.428 6.127) 7.334 14.907 ( -1.234 5.017 -0.711) 5.215 15.060 ( 1.493 -1.297 1.798) 2.673 15.600 ( -5.061 -1.684 -0.547) 5.362 16.001 ( 17.349 -7.171 -6.839) 19.980 17.082 ( -0.105 13.703 6.742) 15.272 17.195 ( 8.939 13.185 -6.973) 17.388 18.096 ( -4.550 -9.806 -13.918) 17.623 18.653 ( 12.151 -15.113 21.017) 28.596 20.203 ( -16.175 3.890 -21.018) 26.805 20.615 ( -7.394 -2.881 14.350) 16.398 21.239 ( 2.643 1.784 -1.240) 3.422 21.334 ( 5.601 0.250 1.995) 5.951 21.956 ( -2.310 0.767 0.070) 2.435 21.973 ( -1.328 1.095 0.115) 1.725 ======================= Grid point 145 (66/75) ======================= q-point: ( 0.29 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 9.346 15.301 -6.816) 19.181 1.504 ( 6.318 5.765 -14.073) 16.468 1.715 ( -0.152 6.290 2.017) 6.607 1.817 ( 10.574 8.411 8.619) 16.026 2.053 ( 0.270 3.720 11.553) 12.140 2.197 ( -0.744 6.450 1.717) 6.715 2.289 ( -8.321 3.130 -2.493) 9.233 2.488 ( -3.704 5.113 -0.493) 6.333 2.547 ( 11.753 4.429 0.607) 12.574 2.682 ( -4.361 -1.357 6.860) 8.241 2.779 ( 2.722 -0.122 -4.665) 5.402 2.884 ( 1.745 10.914 -11.104) 15.667 2.902 ( 2.142 -2.438 6.625) 7.377 2.974 ( 6.872 3.520 2.055) 7.989 3.139 ( -2.043 -1.181 -0.450) 2.403 3.192 ( -2.342 -1.865 -7.286) 7.877 3.371 ( -1.801 -5.895 3.144) 6.920 3.535 ( 3.561 -11.523 2.065) 12.236 3.579 ( 1.635 -6.249 -0.082) 6.459 3.663 ( -0.122 -2.335 1.210) 2.633 3.753 ( 0.691 -4.649 1.901) 5.070 3.844 ( -3.789 -2.446 -0.942) 4.607 3.940 ( -7.285 -2.359 1.867) 7.882 3.970 ( -3.345 -0.013 0.345) 3.363 4.038 ( -0.498 -0.179 -1.747) 1.826 4.059 ( 0.926 -1.018 2.432) 2.794 4.215 ( -1.144 2.258 -2.361) 3.461 4.256 ( -0.920 0.148 0.540) 1.077 4.631 ( -5.491 7.977 0.077) 9.684 4.705 ( -0.937 2.765 0.213) 2.927 4.934 ( 2.202 -5.340 0.691) 5.817 4.967 ( -2.528 3.341 -2.446) 4.851 5.122 ( -7.437 -3.514 -2.482) 8.592 5.233 ( -5.077 -3.586 -1.516) 6.398 5.365 ( 0.129 -2.459 -0.408) 2.496 5.387 ( -4.728 -1.458 6.492) 8.163 5.647 ( 1.111 0.194 -1.675) 2.019 5.780 ( -2.733 2.325 3.355) 4.912 5.835 ( -1.613 -4.719 -2.260) 5.476 5.904 ( 1.643 -3.497 -2.269) 4.481 6.100 ( -10.128 2.024 -2.387) 10.601 6.311 ( -11.334 3.561 -0.619) 11.896 6.484 ( 1.564 -1.737 -1.477) 2.765 6.588 ( -2.877 -0.291 1.511) 3.263 6.710 ( 1.009 -7.903 2.692) 8.410 6.868 ( -2.282 -10.731 2.659) 11.288 7.013 ( 3.572 -1.642 -0.261) 3.940 7.099 ( 2.256 -0.305 -0.983) 2.480 7.331 ( 7.939 -0.020 2.940) 8.466 7.380 ( 4.933 5.661 -3.233) 8.175 7.561 ( 4.235 -3.109 0.176) 5.257 7.611 ( 1.936 3.863 1.219) 4.490 7.711 ( 1.533 4.182 0.184) 4.458 7.917 ( 2.088 0.407 -1.123) 2.406 8.625 ( 10.514 10.407 0.157) 14.794 8.631 ( 11.566 7.583 -0.541) 13.840 8.718 ( 11.498 5.762 3.174) 13.247 8.777 ( 7.941 10.362 -0.852) 13.083 9.209 ( -2.659 2.748 4.769) 6.113 9.356 ( 2.890 1.381 -4.266) 5.334 9.469 ( 5.718 -0.852 -2.120) 6.157 9.573 ( 4.403 -0.218 1.158) 4.558 9.966 ( -2.532 1.657 -0.171) 3.031 10.063 ( -3.346 0.278 -2.283) 4.061 10.276 ( -4.084 -1.238 -0.672) 4.320 10.420 ( -4.452 -2.766 1.681) 5.504 10.764 ( 2.172 0.392 -7.330) 7.656 10.798 ( -1.309 1.084 7.304) 7.500 10.855 ( 4.687 6.063 -5.778) 9.598 11.087 ( -1.741 2.430 3.050) 4.271 11.129 ( -3.905 -2.372 7.097) 8.441 11.245 ( -1.827 -2.069 1.221) 3.018 11.452 ( -6.158 -2.528 0.532) 6.678 11.632 ( -9.314 -2.758 -3.647) 10.376 11.891 ( -3.525 -1.726 0.800) 4.006 11.945 ( -2.236 1.353 -1.388) 2.959 13.228 ( -3.692 2.049 -1.665) 4.540 13.620 ( -8.151 1.852 -4.477) 9.482 13.974 ( 2.104 7.128 -2.596) 7.873 14.027 ( -2.914 10.109 1.284) 10.599 14.500 ( 9.103 -1.743 1.521) 9.393 14.767 ( -0.896 -9.860 9.300) 13.584 14.880 ( -1.551 2.171 -1.253) 2.948 15.061 ( -2.658 0.224 1.820) 3.230 15.586 ( 3.192 -7.684 5.198) 9.811 16.187 ( 8.257 -15.795 -16.375) 24.204 17.169 ( 4.139 11.393 8.716) 14.930 17.308 ( 8.387 11.122 -9.206) 16.697 18.062 ( 6.488 -3.030 1.587) 7.334 18.958 ( 7.161 -19.725 12.806) 24.583 19.776 ( -15.102 14.177 -15.915) 26.121 20.435 ( -18.339 -1.075 5.723) 19.241 21.337 ( 8.387 1.089 -0.588) 8.478 21.464 ( 7.363 -0.006 1.087) 7.443 21.898 ( -4.210 1.529 0.170) 4.482 21.933 ( -3.184 1.862 0.144) 3.691 ======================= Grid point 146 (67/75) ======================= q-point: ( 0.43 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.503 4.062 -10.974) 12.931 1.556 ( -0.087 6.977 3.861) 7.975 1.745 ( 8.701 6.337 -4.760) 11.769 1.939 ( -12.678 3.586 4.386) 13.886 2.027 ( 5.666 8.988 8.085) 13.351 2.149 ( -4.994 5.756 -3.460) 8.369 2.351 ( 8.156 4.018 8.537) 12.471 2.453 ( -0.284 6.313 2.991) 6.991 2.558 ( -6.609 0.316 -0.786) 6.663 2.592 ( -4.148 2.599 -7.907) 9.300 2.834 ( 3.580 -5.984 4.445) 8.270 2.920 ( -1.985 -4.679 -2.920) 5.862 3.038 ( 9.894 4.909 -2.819) 11.399 3.059 ( 0.219 -4.166 1.950) 4.605 3.131 ( 10.009 4.339 -5.090) 12.038 3.250 ( 9.618 4.368 -2.083) 10.767 3.332 ( -6.021 1.553 2.908) 6.864 3.450 ( -12.736 3.125 2.560) 13.362 3.634 ( 4.382 -9.535 1.047) 10.545 3.676 ( 0.556 -3.857 0.347) 3.913 3.751 ( -3.313 -9.898 -1.435) 10.536 3.795 ( -6.051 -6.114 -0.883) 8.647 3.823 ( 2.959 -1.372 1.458) 3.572 3.909 ( -5.066 -1.243 2.468) 5.771 4.050 ( 1.367 -1.056 2.024) 2.661 4.086 ( 0.262 3.238 -3.682) 4.910 4.180 ( 1.708 -0.791 -0.071) 1.884 4.242 ( -3.228 1.428 0.470) 3.561 4.589 ( 0.987 4.825 1.804) 5.245 4.656 ( -3.568 2.809 -2.596) 5.230 4.936 ( 1.526 4.650 -2.315) 5.413 4.969 ( -0.889 0.569 -0.097) 1.060 5.033 ( -0.161 -4.087 2.941) 5.038 5.119 ( -5.548 -2.362 -3.096) 6.778 5.383 ( -0.285 -4.808 5.533) 7.335 5.390 ( 1.243 -3.932 -0.868) 4.214 5.674 ( 1.818 0.837 1.217) 2.343 5.727 ( -2.917 1.418 -2.261) 3.954 5.810 ( 1.689 -2.329 -1.233) 3.130 5.893 ( -6.576 -0.315 -0.949) 6.652 5.992 ( 4.391 -0.245 -1.132) 4.541 6.118 ( -9.495 2.043 0.376) 9.720 6.518 ( 2.970 -1.517 -1.835) 3.806 6.557 ( -2.585 -0.271 2.151) 3.374 6.760 ( 3.458 -9.484 0.292) 10.099 6.824 ( -3.828 -10.326 1.637) 11.133 7.066 ( 2.714 1.068 -0.927) 3.060 7.099 ( -1.445 1.227 0.538) 1.971 7.448 ( 4.245 5.947 2.340) 7.672 7.503 ( 4.537 -1.382 -1.297) 4.917 7.557 ( 2.273 3.895 -2.713) 5.263 7.659 ( -4.654 1.158 1.473) 5.017 7.747 ( 6.605 0.647 2.007) 6.934 7.874 ( -4.989 -0.601 -2.010) 5.412 8.773 ( 6.341 10.492 -0.275) 12.262 8.819 ( 10.308 7.625 -3.006) 13.169 8.841 ( -0.327 11.208 -0.820) 11.243 8.899 ( 1.108 5.168 4.933) 7.229 9.228 ( 2.161 -0.170 8.111) 8.396 9.334 ( -1.947 -0.422 -7.596) 7.852 9.574 ( 6.141 -2.155 -0.932) 6.574 9.631 ( 0.412 -2.475 0.182) 2.516 9.948 ( 0.003 2.139 1.784) 2.785 9.988 ( -2.837 1.680 -2.394) 4.074 10.248 ( 2.021 -2.647 -0.158) 3.334 10.329 ( -6.103 -3.806 0.817) 7.239 10.784 ( 3.289 -0.704 -4.058) 5.270 10.808 ( -1.730 0.171 4.041) 4.399 10.923 ( 5.271 8.831 -0.895) 10.323 11.022 ( -4.365 5.058 -3.115) 7.371 11.139 ( -0.845 0.001 8.535) 8.577 11.196 ( -3.147 0.869 -2.049) 3.854 11.396 ( -0.152 -6.881 0.760) 6.925 11.460 ( -6.487 -6.004 -2.177) 9.103 11.858 ( -0.124 -0.418 0.058) 0.440 11.888 ( -2.753 0.992 -1.116) 3.132 13.248 ( 4.091 6.634 6.444) 10.113 13.419 ( -8.790 6.885 -9.058) 14.378 13.985 ( -0.554 6.517 2.415) 6.972 13.995 ( 0.068 9.700 -2.418) 9.997 14.674 ( 7.927 -2.239 -0.391) 8.247 14.761 ( -3.739 -9.309 3.139) 10.512 14.881 ( 2.450 -2.153 2.231) 3.952 14.980 ( -5.852 -0.642 -1.797) 6.155 15.788 ( 10.182 -14.346 18.300) 25.384 16.077 ( -6.168 -17.945 -22.558) 29.477 17.294 ( 2.661 8.035 9.915) 13.037 17.355 ( 3.008 7.660 -10.603) 13.422 18.358 ( 20.171 1.329 13.412) 24.259 18.830 ( -20.372 -7.490 -11.156) 24.404 19.734 ( 13.784 7.617 3.240) 16.078 20.085 ( -20.780 1.019 -1.978) 20.899 21.493 ( 8.153 -0.390 -0.076) 8.162 21.565 ( 1.623 -1.152 0.133) 1.995 21.832 ( -1.737 3.169 0.247) 3.622 21.866 ( -4.043 2.861 0.009) 4.953 ======================= Grid point 150 (68/75) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.039 11.162 -5.458) 12.425 1.636 ( -0.039 11.162 5.458) 12.425 1.769 ( -1.974 11.990 -12.017) 17.090 1.769 ( 1.974 11.990 12.017) 17.090 2.153 ( -4.989 0.863 -6.671) 8.375 2.153 ( 4.989 0.863 6.671) 8.375 2.386 ( -1.806 -1.969 -1.819) 3.232 2.386 ( 1.806 -1.969 1.819) 3.232 2.701 ( 2.216 1.925 -2.981) 4.184 2.701 ( -2.216 1.925 2.981) 4.184 2.880 ( -4.793 2.247 -1.227) 5.434 2.880 ( 4.793 2.247 1.227) 5.434 2.989 ( -2.134 2.096 -4.910) 5.749 2.989 ( 2.134 2.096 4.910) 5.749 3.088 ( -1.557 -7.181 -0.925) 7.406 3.088 ( 1.557 -7.181 0.925) 7.406 3.333 ( 2.458 0.137 -8.469) 8.820 3.333 ( -2.458 0.137 8.469) 8.820 3.523 ( -1.837 -3.331 -11.138) 11.770 3.523 ( 1.837 -3.331 11.138) 11.770 3.671 ( -4.509 -1.796 -6.171) 7.851 3.671 ( 4.509 -1.796 6.171) 7.851 4.033 ( -1.974 1.082 -4.857) 5.354 4.033 ( 1.974 1.082 4.857) 5.354 4.200 ( -2.908 5.559 -3.508) 7.188 4.200 ( 2.908 5.559 3.508) 7.188 4.334 ( 3.024 3.196 -2.080) 4.867 4.334 ( -3.024 3.196 2.080) 4.867 4.667 ( -1.687 -6.602 -1.208) 6.920 4.667 ( 1.687 -6.602 1.208) 6.920 4.985 ( -3.233 4.838 -1.180) 5.937 4.985 ( 3.233 4.838 1.180) 5.937 5.257 ( -1.641 -6.940 -1.718) 7.335 5.257 ( 1.641 -6.940 1.718) 7.335 5.435 ( -2.531 -5.107 -7.812) 9.670 5.435 ( 2.531 -5.107 7.812) 9.670 5.706 ( 1.354 -0.569 -6.405) 6.571 5.706 ( -1.354 -0.569 6.405) 6.571 5.853 ( 2.208 -2.048 -4.279) 5.233 5.853 ( -2.208 -2.048 4.279) 5.233 6.378 ( -1.166 1.391 -2.769) 3.311 6.378 ( 1.166 1.391 2.769) 3.311 6.578 ( -3.968 -3.613 -0.837) 5.432 6.578 ( 3.968 -3.613 0.837) 5.432 6.699 ( 3.677 -8.238 -3.193) 9.570 6.699 ( -3.677 -8.238 3.193) 9.570 6.900 ( -5.911 1.433 -0.272) 6.088 6.900 ( 5.911 1.433 0.272) 6.088 7.360 ( -9.061 2.064 -3.221) 9.836 7.360 ( 9.061 2.064 3.221) 9.836 7.479 ( -2.340 5.348 -1.173) 5.954 7.479 ( 2.340 5.348 1.173) 5.954 7.700 ( -1.786 2.354 -4.575) 5.446 7.700 ( 1.786 2.354 4.575) 5.446 8.631 ( 2.493 6.564 -1.784) 7.245 8.631 ( -2.493 6.564 1.784) 7.245 8.664 ( -0.834 7.348 -1.396) 7.526 8.664 ( 0.834 7.348 1.396) 7.526 9.296 ( -0.668 2.699 -2.069) 3.466 9.296 ( 0.668 2.699 2.069) 3.466 9.503 ( 1.287 4.339 -2.837) 5.342 9.503 ( -1.287 4.339 2.837) 5.342 10.112 ( -0.523 0.823 -2.038) 2.260 10.112 ( 0.523 0.823 2.038) 2.260 10.426 ( -1.235 -0.321 -1.931) 2.315 10.426 ( 1.235 -0.321 1.931) 2.315 10.759 ( 1.434 -0.940 -5.117) 5.397 10.759 ( -1.434 -0.940 5.117) 5.397 10.971 ( -0.609 -0.200 -11.884) 11.901 10.971 ( 0.609 -0.200 11.884) 11.901 11.154 ( -0.683 -4.821 -3.607) 6.059 11.154 ( 0.683 -4.821 3.607) 6.059 11.717 ( -4.337 1.000 -2.804) 5.260 11.717 ( 4.337 1.000 2.804) 5.260 11.939 ( 2.552 -3.620 -9.607) 10.579 11.939 ( -2.552 -3.620 9.607) 10.579 13.388 ( -6.210 -7.863 -3.268) 10.539 13.388 ( 6.210 -7.863 3.268) 10.539 14.110 ( 0.368 3.815 -3.037) 4.890 14.110 ( -0.368 3.815 3.037) 4.890 14.635 ( -4.483 1.244 -0.011) 4.652 14.635 ( 4.483 1.244 0.011) 4.652 15.099 ( -3.586 7.202 -5.845) 9.944 15.099 ( 3.586 7.202 5.845) 9.944 15.850 ( 0.703 13.298 -7.929) 15.499 15.850 ( -0.703 13.298 7.929) 15.499 17.220 ( 5.568 -3.814 -15.961) 17.330 17.220 ( -5.568 -3.814 15.961) 17.330 18.078 ( -5.977 -10.129 -14.203) 18.440 18.078 ( 5.977 -10.129 14.203) 18.440 20.545 ( -2.178 2.672 -15.826) 16.197 20.545 ( 2.178 2.672 15.826) 16.197 21.240 ( -0.101 -1.443 -2.935) 3.272 21.240 ( 0.101 -1.443 2.935) 3.272 21.992 ( -0.217 0.537 -0.389) 0.698 21.992 ( 0.217 0.537 0.389) 0.698 ======================= Grid point 152 (69/75) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.621 8.374 -12.475) 15.252 1.678 ( 4.721 12.132 -3.620) 13.512 1.759 ( 5.772 8.784 1.853) 10.672 1.890 ( 5.339 14.465 6.843) 16.869 2.063 ( -2.099 2.156 5.406) 6.187 2.297 ( 0.678 -0.673 2.839) 2.995 2.372 ( 5.146 -1.316 1.078) 5.420 2.424 ( 1.720 -0.264 1.613) 2.373 2.619 ( -7.079 0.034 1.927) 7.336 2.663 ( -3.341 2.567 -2.129) 4.720 2.835 ( -1.211 0.490 2.197) 2.556 2.908 ( -2.664 2.010 -2.051) 3.917 2.961 ( -0.969 1.694 1.798) 2.654 3.054 ( 3.610 -3.514 3.330) 6.039 3.118 ( 5.644 -0.058 0.230) 5.649 3.142 ( 1.655 -2.436 -2.741) 4.023 3.269 ( -1.844 -7.049 -0.392) 7.297 3.335 ( -0.473 -0.456 -5.851) 5.887 3.409 ( -3.127 -3.234 -8.424) 9.550 3.603 ( 0.597 -5.288 1.514) 5.533 3.646 ( 3.061 2.143 9.879) 10.562 3.797 ( 3.337 -1.001 5.867) 6.823 3.956 ( -1.871 0.003 -6.022) 6.306 4.053 ( -1.855 -2.078 -4.041) 4.908 4.118 ( -4.165 5.114 1.950) 6.877 4.167 ( -5.756 4.344 -3.653) 8.084 4.282 ( -2.407 5.390 5.112) 7.809 4.367 ( 0.368 3.019 -4.675) 5.577 4.663 ( 0.668 -5.066 4.682) 6.930 4.731 ( 2.552 -6.760 3.855) 8.190 4.893 ( -6.048 5.720 -0.760) 8.359 5.019 ( -0.304 2.275 0.861) 2.451 5.166 ( -5.060 -5.115 -7.070) 10.087 5.263 ( -0.625 -4.954 -3.719) 6.226 5.332 ( -3.598 -3.395 -2.087) 5.369 5.454 ( -5.007 -3.678 5.853) 8.535 5.671 ( -1.020 0.343 -1.837) 2.129 5.733 ( 0.635 -2.759 3.427) 4.445 5.824 ( -2.563 -2.152 1.680) 3.744 5.859 ( 0.079 -1.151 -2.558) 2.806 6.326 ( -3.247 3.829 -1.585) 5.265 6.409 ( -0.065 0.795 0.834) 1.154 6.501 ( -3.437 -5.856 0.679) 6.824 6.591 ( -4.332 -2.812 2.297) 5.653 6.658 ( -4.342 -6.514 -0.025) 7.829 6.734 ( -7.930 -0.420 1.712) 8.123 6.807 ( 10.036 -5.421 -2.713) 11.724 7.040 ( 8.165 -1.796 0.042) 8.360 7.210 ( -3.564 2.926 -1.713) 4.919 7.451 ( 2.759 2.441 -1.813) 4.106 7.526 ( 1.748 5.047 5.532) 7.690 7.598 ( 6.754 3.254 -0.649) 7.525 7.704 ( 5.484 3.316 -1.837) 6.666 7.815 ( 7.623 0.157 1.707) 7.813 8.628 ( 3.102 8.180 0.856) 8.790 8.672 ( 5.058 6.118 -2.142) 8.222 8.718 ( 6.176 6.254 -0.680) 8.816 8.772 ( 9.013 6.401 -0.136) 11.056 9.290 ( 0.534 3.781 0.354) 3.835 9.349 ( 3.166 2.316 1.361) 4.152 9.464 ( -1.460 3.889 0.229) 4.160 9.539 ( 2.067 2.890 -1.292) 3.781 10.060 ( -3.075 1.675 -1.215) 3.707 10.121 ( -0.803 0.711 -0.811) 1.344 10.359 ( -4.497 0.542 -1.297) 4.711 10.426 ( -2.385 -1.797 1.049) 3.165 10.760 ( 1.557 -0.784 -2.430) 2.991 10.790 ( 0.096 -0.323 3.596) 3.612 10.907 ( 2.051 1.738 -9.268) 9.650 11.044 ( 0.508 -2.577 8.092) 8.507 11.108 ( -3.303 -4.220 1.391) 5.536 11.173 ( -1.282 -4.677 5.137) 7.065 11.581 ( -7.635 1.192 -3.569) 8.512 11.747 ( -2.123 0.031 -3.324) 3.944 11.907 ( -3.721 -2.966 4.527) 6.568 11.947 ( -0.566 -3.053 0.989) 3.259 13.286 ( -2.892 -3.072 -2.592) 4.952 13.528 ( 7.008 -9.855 0.360) 12.098 14.062 ( -3.503 2.803 -0.064) 4.487 14.114 ( 0.700 3.422 -0.832) 3.591 14.581 ( -1.868 3.540 1.535) 4.287 14.679 ( -0.489 0.885 -0.676) 1.216 14.991 ( -4.429 4.435 -5.983) 8.665 15.204 ( 5.293 8.989 6.027) 12.048 15.700 ( -8.735 14.047 -1.175) 16.583 15.958 ( 5.433 6.409 -5.769) 10.192 17.237 ( 2.682 -8.657 -1.566) 9.198 17.240 ( 2.179 -2.229 -0.919) 3.250 17.976 ( 1.922 -0.114 -5.322) 5.660 18.317 ( 9.839 -16.099 16.187) 24.860 20.328 ( -10.764 7.610 -15.157) 20.088 20.583 ( -7.609 -0.994 11.383) 13.728 21.254 ( 3.808 0.046 -1.236) 4.004 21.311 ( 5.679 -1.987 1.465) 6.193 21.972 ( -1.842 0.818 0.092) 2.017 21.990 ( -0.915 0.570 0.272) 1.112 ======================= Grid point 153 (70/75) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.110 7.712 -10.444) 13.350 1.731 ( 0.628 9.472 -2.074) 9.717 1.840 ( 5.425 8.886 -2.593) 10.729 2.064 ( 6.293 13.935 6.796) 16.733 2.114 ( 1.197 3.499 9.231) 9.944 2.278 ( -0.431 0.844 2.977) 3.124 2.373 ( -3.765 3.260 -2.091) 5.402 2.492 ( -3.697 -3.987 0.079) 5.438 2.572 ( 2.078 -1.511 3.640) 4.455 2.641 ( 3.861 2.741 2.394) 5.306 2.810 ( -5.268 1.934 -3.000) 6.364 2.850 ( -1.271 -2.141 2.267) 3.367 2.923 ( -0.639 -4.683 0.705) 4.779 3.072 ( -6.824 -4.863 -5.813) 10.199 3.165 ( 7.511 4.655 0.046) 8.836 3.226 ( 1.426 -9.288 2.580) 9.744 3.270 ( 5.304 8.373 -6.176) 11.678 3.312 ( 4.644 -6.733 4.578) 9.373 3.397 ( 2.075 -8.801 -1.747) 9.209 3.654 ( 4.503 -1.013 -1.720) 4.926 3.718 ( -4.180 2.047 1.475) 4.882 3.776 ( -2.374 -0.784 0.950) 2.674 3.966 ( -2.665 -1.555 -4.701) 5.623 3.985 ( 1.287 -0.447 2.249) 2.629 4.015 ( -6.467 1.497 1.966) 6.923 4.057 ( -3.455 2.306 0.272) 4.163 4.290 ( -0.287 4.646 -1.350) 4.847 4.301 ( -3.294 3.507 -2.099) 5.249 4.708 ( 0.071 -0.412 4.264) 4.284 4.765 ( -4.482 1.148 -0.159) 4.629 4.805 ( 0.943 -4.184 2.947) 5.204 4.989 ( -3.846 -3.602 0.863) 5.339 5.048 ( -1.932 1.174 -6.982) 7.339 5.181 ( -5.343 -2.282 -1.236) 5.940 5.319 ( 2.263 -2.263 -3.126) 4.474 5.380 ( -5.182 -0.729 4.257) 6.746 5.662 ( 1.017 0.874 -0.388) 1.396 5.762 ( 0.259 -1.966 -0.296) 2.005 5.792 ( -2.061 -1.998 2.903) 4.082 5.843 ( 0.850 -1.397 -0.528) 1.719 6.183 ( -10.741 5.360 -3.162) 12.414 6.350 ( -8.893 0.126 -1.161) 8.970 6.455 ( -1.675 -1.820 -0.811) 2.603 6.527 ( 0.943 -4.188 1.099) 4.431 6.591 ( -4.645 -4.711 4.996) 8.290 6.663 ( -1.906 -9.195 0.138) 9.392 6.978 ( 9.519 -0.738 -1.375) 9.646 7.157 ( 1.988 5.560 0.211) 5.908 7.252 ( 9.793 -5.659 -0.433) 11.319 7.488 ( 2.095 1.963 -0.900) 3.009 7.569 ( 2.367 3.878 1.035) 4.660 7.679 ( 2.402 3.393 1.455) 4.404 7.784 ( 2.122 3.123 -0.077) 3.777 7.914 ( 1.365 -0.815 -0.213) 1.604 8.766 ( 10.547 6.004 1.371) 12.213 8.800 ( 10.557 6.080 -1.988) 12.344 8.855 ( 8.766 6.955 0.782) 11.218 8.944 ( 9.521 5.711 -1.261) 11.174 9.280 ( -3.594 4.514 3.282) 6.638 9.387 ( 0.043 1.690 -1.406) 2.199 9.483 ( 4.176 2.225 -1.395) 4.934 9.570 ( 2.063 0.266 -0.162) 2.087 10.008 ( -1.625 2.884 -0.333) 3.327 10.080 ( -2.281 1.333 -2.175) 3.422 10.268 ( -4.731 0.560 -0.190) 4.768 10.361 ( -5.269 -2.779 0.828) 6.014 10.759 ( 1.153 -0.202 -5.800) 5.917 10.799 ( -0.815 -0.475 3.924) 4.036 10.956 ( 5.673 2.693 -2.150) 6.638 11.045 ( -0.915 -4.474 -3.748) 5.908 11.108 ( -0.960 -2.012 11.542) 11.755 11.176 ( -1.492 -4.347 5.389) 7.083 11.421 ( -7.426 0.901 -4.119) 8.539 11.616 ( -9.551 0.372 -3.496) 10.178 11.854 ( -4.319 -1.912 3.734) 6.021 11.927 ( -2.074 -3.346 -1.271) 4.137 13.272 ( 2.369 2.592 0.953) 3.638 13.604 ( 3.229 -4.407 -6.002) 8.116 13.995 ( -4.580 -0.502 1.061) 4.728 14.112 ( -3.669 0.711 2.653) 4.583 14.594 ( 0.521 -1.225 4.483) 4.676 14.674 ( 5.006 6.084 -0.530) 7.897 14.878 ( -3.234 1.008 -7.464) 8.197 15.351 ( 4.095 17.125 10.262) 20.380 15.532 ( -7.576 6.399 -4.050) 10.711 15.938 ( -1.730 -4.608 -13.706) 14.563 17.280 ( 7.871 -10.475 -14.120) 19.263 17.299 ( -1.055 -4.247 14.719) 15.356 18.095 ( 11.666 6.505 3.451) 13.796 18.572 ( 8.171 -17.099 10.078) 21.464 20.036 ( -11.208 11.892 -10.866) 19.624 20.411 ( -16.290 -1.644 5.082) 17.144 21.356 ( 7.782 0.872 -0.664) 7.858 21.441 ( 7.289 -1.886 0.900) 7.583 21.928 ( -3.141 1.399 0.235) 3.447 21.961 ( -2.568 0.804 0.232) 2.701 ======================= Grid point 154 (71/75) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 4.494 7.819 -6.739) 11.258 1.697 ( -3.832 7.756 2.667) 9.053 1.937 ( 7.603 11.322 -3.976) 14.206 2.053 ( -6.998 7.763 3.799) 11.121 2.215 ( 1.612 8.170 6.594) 10.622 2.274 ( -2.256 5.081 -3.417) 6.526 2.371 ( 3.297 -0.333 7.932) 8.596 2.453 ( -0.179 -5.017 -4.624) 6.826 2.583 ( 0.717 2.962 3.410) 4.573 2.682 ( -5.354 2.956 -3.952) 7.282 2.741 ( 2.799 -1.117 2.798) 4.113 2.819 ( -3.726 -4.288 -3.000) 6.424 2.936 ( 0.045 -6.667 2.963) 7.296 2.957 ( -0.464 -7.123 -4.632) 8.509 3.277 ( 3.786 -1.269 3.890) 5.575 3.294 ( 4.063 -1.056 -2.740) 5.013 3.356 ( 5.370 -4.282 3.252) 7.599 3.389 ( -0.430 -8.346 0.190) 8.359 3.502 ( 8.041 2.632 0.072) 8.461 3.598 ( 0.660 -1.822 -1.183) 2.270 3.661 ( -9.628 0.461 -2.639) 9.993 3.724 ( -1.582 -0.679 -3.285) 3.709 3.868 ( -3.690 5.055 0.109) 6.259 3.907 ( -4.148 1.261 0.108) 4.337 4.033 ( 4.603 0.001 4.309) 6.305 4.149 ( 2.582 2.149 2.691) 4.304 4.170 ( -2.709 0.721 -2.457) 3.728 4.278 ( -3.503 1.665 -2.842) 4.809 4.690 ( -1.683 5.159 4.715) 7.189 4.720 ( -0.596 3.419 -3.959) 5.265 4.858 ( 2.453 -8.432 1.682) 8.941 4.916 ( -3.819 -6.891 0.120) 7.879 5.025 ( 2.431 2.511 -2.994) 4.602 5.086 ( -4.996 -0.724 0.716) 5.098 5.337 ( 1.104 -1.169 -1.917) 2.502 5.345 ( -1.190 -0.399 2.262) 2.587 5.695 ( 1.816 1.038 1.398) 2.516 5.742 ( -1.913 0.311 -2.653) 3.285 5.794 ( 3.302 0.386 2.631) 4.240 5.892 ( -0.890 -0.746 0.033) 1.162 6.006 ( -1.397 1.975 -1.940) 3.102 6.140 ( -11.389 -0.008 -0.804) 11.418 6.472 ( 3.033 -2.948 -2.261) 4.796 6.519 ( -3.604 -3.528 2.810) 5.774 6.590 ( 2.212 -7.083 1.134) 7.507 6.633 ( -2.167 -8.243 0.480) 8.537 7.105 ( 5.297 3.236 -1.024) 6.291 7.159 ( -1.532 5.124 0.538) 5.375 7.433 ( 8.502 -5.145 -0.326) 9.943 7.507 ( -0.487 -1.146 0.472) 1.332 7.631 ( 4.106 3.865 -0.891) 5.709 7.693 ( -2.424 3.022 1.184) 4.051 7.798 ( 1.435 3.180 1.364) 3.746 7.871 ( -4.306 0.264 -1.502) 4.568 8.952 ( 9.299 7.154 -1.515) 11.830 8.977 ( 8.410 7.270 -1.799) 11.261 9.009 ( 4.299 5.648 2.114) 7.406 9.045 ( 0.988 7.802 1.200) 7.955 9.230 ( -1.954 0.376 4.930) 5.316 9.320 ( -5.009 -0.804 -4.665) 6.892 9.564 ( 4.372 1.282 -0.943) 4.652 9.597 ( 0.284 -0.227 0.278) 0.458 10.005 ( 0.602 3.286 1.254) 3.568 10.032 ( -1.424 2.404 -2.001) 3.437 10.214 ( -0.485 -0.728 0.118) 0.883 10.263 ( -5.329 -2.631 0.286) 5.950 10.762 ( 2.139 -1.107 -2.632) 3.568 10.792 ( -1.958 -1.384 1.552) 2.857 11.024 ( 0.918 0.882 1.920) 2.303 11.027 ( 0.766 -1.856 -1.582) 2.557 11.190 ( 4.167 0.046 2.167) 4.697 11.209 ( 3.784 -3.819 7.258) 9.032 11.282 ( -4.928 0.721 -4.797) 6.915 11.399 ( -11.771 2.012 -2.629) 12.228 11.826 ( -0.314 -2.766 1.922) 3.383 11.865 ( -2.924 -3.329 -2.157) 4.928 13.385 ( 7.452 6.753 5.949) 11.684 13.555 ( -4.600 5.912 -8.736) 11.508 13.942 ( 0.568 -7.021 0.191) 7.046 14.019 ( -6.878 -4.435 1.830) 8.386 14.627 ( 2.064 -2.178 5.295) 6.086 14.724 ( -3.784 3.536 -5.525) 7.573 14.964 ( 16.837 7.044 1.618) 18.322 15.266 ( -15.241 19.767 2.380) 25.074 15.565 ( 8.052 -4.036 5.089) 10.345 15.762 ( -7.323 -7.695 -13.554) 17.221 17.337 ( 6.837 -9.061 -13.153) 17.374 17.349 ( -3.479 -7.400 14.302) 16.475 18.387 ( 15.522 3.349 7.535) 17.576 18.634 ( -5.683 -8.701 -2.288) 10.641 19.911 ( 3.802 8.796 -1.997) 9.789 20.115 ( -16.712 1.361 -0.101) 16.768 21.491 ( 6.557 0.195 -0.175) 6.562 21.539 ( 1.972 -1.310 0.224) 2.378 21.882 ( -1.146 1.844 0.250) 2.186 21.907 ( -3.119 1.246 0.003) 3.359 ======================= Grid point 158 (72/75) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.835 3.301 -3.034) 4.561 1.766 ( -0.835 3.301 3.034) 4.561 1.993 ( -3.518 8.763 -8.023) 12.392 1.993 ( 3.518 8.763 8.023) 12.392 2.129 ( -3.195 -3.416 -8.466) 9.672 2.129 ( 3.195 -3.416 8.466) 9.672 2.343 ( -1.074 -1.185 -2.749) 3.180 2.343 ( 1.074 -1.185 2.749) 3.180 2.714 ( -1.565 0.254 -0.252) 1.605 2.714 ( 1.565 0.254 0.252) 1.605 2.892 ( 4.168 -0.314 -3.344) 5.353 2.892 ( -4.168 -0.314 3.344) 5.353 2.951 ( 2.594 -3.637 -2.796) 5.270 2.951 ( -2.594 -3.637 2.796) 5.270 3.064 ( -0.444 2.448 -0.483) 2.534 3.064 ( 0.444 2.448 0.483) 2.534 3.322 ( -1.928 -1.608 -3.571) 4.365 3.322 ( 1.928 -1.608 3.571) 4.365 3.431 ( -0.481 -3.043 -4.609) 5.544 3.431 ( 0.481 -3.043 4.609) 5.544 3.760 ( -0.994 5.586 -3.080) 6.456 3.760 ( 0.994 5.586 3.080) 6.456 4.016 ( -0.164 -2.088 -1.153) 2.391 4.016 ( 0.164 -2.088 1.153) 2.391 4.309 ( -2.034 4.556 -2.546) 5.602 4.309 ( 2.034 4.556 2.546) 5.602 4.419 ( -5.624 5.180 -3.499) 8.409 4.419 ( 5.624 5.180 3.499) 8.409 4.539 ( -2.071 -6.256 -4.233) 7.832 4.539 ( 2.071 -6.256 4.233) 7.832 5.075 ( -0.766 3.376 -0.629) 3.519 5.075 ( 0.766 3.376 0.629) 3.519 5.139 ( 3.831 -3.811 -1.745) 5.678 5.139 ( -3.831 -3.811 1.745) 5.678 5.323 ( -1.795 -4.816 -3.020) 5.961 5.323 ( 1.795 -4.816 3.020) 5.961 5.687 ( 0.952 -0.767 -1.603) 2.016 5.687 ( -0.952 -0.767 1.603) 2.016 5.842 ( -0.099 0.167 -2.120) 2.129 5.842 ( 0.099 0.167 2.120) 2.129 6.428 ( -1.790 3.420 -3.716) 5.358 6.428 ( 1.790 3.420 3.716) 5.358 6.500 ( -4.432 -3.826 -2.418) 6.335 6.500 ( 4.432 -3.826 2.418) 6.335 6.573 ( 3.248 -3.977 -1.770) 5.431 6.573 ( -3.248 -3.977 1.770) 5.431 6.935 ( -2.374 1.277 -0.391) 2.724 6.935 ( 2.374 1.277 0.391) 2.724 7.389 ( -4.135 0.813 -1.053) 4.343 7.389 ( 4.135 0.813 1.053) 4.343 7.563 ( -0.588 2.552 -1.194) 2.878 7.563 ( 0.588 2.552 1.194) 2.878 7.728 ( -0.360 0.589 -2.374) 2.473 7.728 ( 0.360 0.589 2.374) 2.473 8.690 ( 0.425 0.726 -0.819) 1.174 8.690 ( -0.425 0.726 0.819) 1.174 8.771 ( -0.826 2.894 -0.494) 3.050 8.771 ( 0.826 2.894 0.494) 3.050 9.346 ( -0.415 1.794 -0.630) 1.946 9.346 ( 0.415 1.794 0.630) 1.946 9.581 ( 0.679 2.626 -1.260) 2.991 9.581 ( -0.679 2.626 1.260) 2.991 10.127 ( -0.545 0.489 -0.674) 0.995 10.127 ( 0.545 0.489 0.674) 0.995 10.432 ( -0.280 0.584 -0.662) 0.926 10.432 ( 0.280 0.584 0.662) 0.926 10.740 ( 0.140 -0.730 -1.759) 1.910 10.740 ( -0.140 -0.730 1.759) 1.910 10.954 ( -0.114 -0.817 -4.685) 4.757 10.954 ( 0.114 -0.817 4.685) 4.757 11.069 ( -0.447 -2.841 -1.643) 3.312 11.069 ( 0.447 -2.841 1.643) 3.312 11.762 ( -2.752 3.405 -4.814) 6.507 11.762 ( 2.752 3.405 4.814) 6.507 11.855 ( -0.209 -4.577 -6.866) 8.254 11.855 ( 0.209 -4.577 6.866) 8.254 13.284 ( -2.097 -2.676 -1.071) 3.564 13.284 ( 2.097 -2.676 1.071) 3.564 14.159 ( 0.232 1.427 -0.588) 1.561 14.159 ( -0.232 1.427 0.588) 1.561 14.636 ( -2.201 -0.420 0.190) 2.248 14.636 ( 2.201 -0.420 -0.190) 2.248 15.177 ( -2.478 1.209 -1.122) 2.976 15.177 ( 2.478 1.209 1.122) 2.976 16.257 ( 1.658 23.405 -15.818) 28.298 16.257 ( -1.658 23.405 15.818) 28.298 16.938 ( 2.866 -20.351 -20.788) 29.232 16.938 ( -2.866 -20.351 20.788) 29.232 17.987 ( -0.974 -0.746 -2.974) 3.218 17.987 ( 0.974 -0.746 2.974) 3.218 20.593 ( -0.604 1.592 -5.756) 6.003 20.593 ( 0.604 1.592 5.756) 6.003 21.213 ( -0.020 -0.895 -1.022) 1.359 21.213 ( 0.020 -0.895 1.022) 1.359 22.000 ( -0.092 0.185 -0.180) 0.274 22.000 ( 0.092 0.185 0.180) 0.274 ======================= Grid point 160 (73/75) ======================= q-point: ( 0.14 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 2.437 5.127 -2.866) 6.359 1.836 ( 6.096 2.410 0.715) 6.594 1.905 ( -1.321 7.289 -7.060) 10.233 2.057 ( 2.765 -4.060 -5.867) 7.652 2.147 ( 6.494 8.866 7.720) 13.431 2.251 ( 4.562 -2.317 3.622) 6.269 2.337 ( 0.817 0.576 2.594) 2.780 2.399 ( 2.258 -2.796 5.004) 6.161 2.662 ( -4.312 4.514 0.624) 6.273 2.703 ( -2.583 1.270 0.193) 2.885 2.841 ( -2.168 -1.583 4.427) 5.177 2.864 ( -3.962 -4.777 0.560) 6.231 2.944 ( -0.555 -1.985 0.557) 2.135 2.958 ( -1.113 -1.974 -2.608) 3.455 3.075 ( 1.993 -1.462 0.050) 2.472 3.090 ( -2.220 -2.949 0.434) 3.717 3.258 ( 1.356 3.047 -5.394) 6.341 3.322 ( -1.352 -2.841 -7.784) 8.396 3.395 ( -1.092 3.194 2.325) 4.099 3.495 ( 3.375 -6.057 6.044) 9.198 3.766 ( 1.945 6.875 3.214) 7.834 3.823 ( 1.804 1.137 5.940) 6.311 3.970 ( -1.466 0.718 -6.398) 6.603 4.000 ( -0.777 -1.977 -7.450) 7.747 4.204 ( -8.980 3.584 2.648) 10.025 4.243 ( -9.669 1.082 -0.062) 9.729 4.369 ( 1.861 4.101 -1.904) 4.889 4.421 ( -1.403 0.871 -5.026) 5.291 4.578 ( 3.680 -1.238 4.538) 5.972 4.625 ( 3.190 -4.323 4.978) 7.324 4.980 ( -6.235 3.475 -1.369) 7.268 5.046 ( -6.643 -1.664 1.298) 6.970 5.111 ( 1.266 0.724 -4.900) 5.113 5.170 ( 1.096 -3.918 -4.370) 5.971 5.284 ( -0.872 0.149 0.815) 1.203 5.354 ( -0.838 -5.599 3.477) 6.644 5.665 ( -1.130 0.054 0.840) 1.409 5.688 ( 0.214 -2.056 -0.015) 2.067 5.815 ( -1.634 1.596 -0.796) 2.419 5.848 ( -1.049 -1.206 0.800) 1.787 6.374 ( -1.707 1.397 -1.664) 2.763 6.410 ( -3.497 -2.923 0.650) 4.604 6.464 ( -0.963 2.988 3.023) 4.358 6.515 ( -2.156 -3.070 2.441) 4.476 6.568 ( -2.717 -0.523 -1.370) 3.087 6.647 ( -1.806 -6.223 -0.974) 6.552 6.847 ( 1.398 5.483 -0.969) 5.740 6.957 ( 3.933 -5.451 -0.704) 6.759 7.323 ( -1.453 6.674 -0.522) 6.850 7.431 ( 1.249 -3.756 -0.113) 3.960 7.628 ( 3.526 4.125 0.771) 5.482 7.656 ( 5.759 1.538 0.372) 5.973 7.754 ( 5.052 2.085 -0.514) 5.490 7.797 ( 5.472 -1.926 1.640) 6.029 8.721 ( 3.656 1.774 0.838) 4.149 8.730 ( 4.875 0.677 -0.730) 4.976 8.819 ( 6.536 3.649 -1.129) 7.570 8.846 ( 7.231 1.100 -0.644) 7.343 9.362 ( 1.796 2.922 0.477) 3.463 9.385 ( 2.679 0.696 1.150) 2.997 9.548 ( -2.157 3.807 0.130) 4.378 9.582 ( -0.427 0.639 -1.059) 1.309 10.100 ( -1.357 2.091 -1.729) 3.034 10.127 ( -0.524 -0.450 -1.311) 1.482 10.382 ( -4.279 1.394 -0.605) 4.541 10.402 ( -3.656 -0.748 0.265) 3.742 10.754 ( 1.697 0.400 -0.152) 1.751 10.774 ( 1.168 -1.250 2.639) 3.145 10.925 ( 1.316 0.912 -5.391) 5.624 10.969 ( 0.463 -3.698 -1.763) 4.123 11.052 ( -2.827 -0.928 7.048) 7.650 11.083 ( -1.387 -3.773 5.578) 6.876 11.646 ( -5.910 5.047 -5.387) 9.456 11.738 ( -4.537 -2.545 -4.979) 7.201 11.848 ( -0.323 -1.313 3.412) 3.670 11.879 ( -2.169 -3.232 5.116) 6.429 13.273 ( 1.486 1.943 0.231) 2.457 13.360 ( 5.338 -6.744 0.751) 8.634 14.115 ( -3.246 2.595 -0.588) 4.197 14.147 ( -1.138 -0.165 -0.919) 1.472 14.618 ( -0.860 2.237 0.176) 2.403 14.670 ( 0.626 -2.253 -1.164) 2.612 15.101 ( -3.708 5.988 -4.203) 8.202 15.218 ( 3.746 -5.024 -2.968) 6.934 16.118 ( -6.368 23.793 -8.380) 26.017 16.266 ( -5.372 16.698 0.673) 17.554 16.897 ( 3.535 -15.730 -7.287) 17.693 17.028 ( -1.289 -19.021 16.997) 25.541 18.034 ( 7.111 3.806 0.891) 8.114 18.111 ( 9.459 -5.294 4.719) 11.822 20.467 ( -8.976 5.934 -6.273) 12.455 20.551 ( -8.294 -2.675 3.313) 9.323 21.255 ( 5.145 0.335 -0.342) 5.167 21.273 ( 5.742 -1.576 0.592) 5.984 21.986 ( -1.368 0.599 0.122) 1.498 21.994 ( -0.992 -0.149 0.231) 1.029 ======================= Grid point 161 (74/75) ======================= q-point: ( 0.29 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 2.596 8.785 -4.802) 10.343 1.864 ( -0.029 4.833 -2.368) 5.382 1.961 ( 6.307 2.209 2.049) 6.989 2.107 ( 4.024 -9.119 -1.978) 10.161 2.262 ( 0.437 8.727 1.405) 8.850 2.347 ( 0.303 6.297 5.158) 8.146 2.373 ( 4.444 1.839 3.328) 5.848 2.459 ( 1.295 -6.346 1.898) 6.749 2.573 ( -5.029 5.617 0.652) 7.567 2.711 ( 3.641 1.041 0.401) 3.808 2.778 ( -5.743 -3.042 -2.793) 7.074 2.847 ( -1.731 -1.911 3.112) 4.041 2.873 ( -1.861 2.922 0.891) 3.577 2.951 ( -4.472 -5.814 -1.088) 7.415 3.032 ( -1.560 -6.159 4.785) 7.954 3.083 ( 2.406 -7.350 -4.617) 9.008 3.242 ( 0.166 0.995 -1.539) 1.841 3.297 ( 1.240 -3.453 -0.593) 3.716 3.476 ( 7.623 8.034 2.447) 11.342 3.600 ( 4.613 -4.729 2.066) 6.922 3.783 ( -6.112 3.317 -2.730) 7.470 3.814 ( -3.401 1.069 -3.192) 4.785 3.949 ( 2.169 0.883 -1.238) 2.649 3.968 ( 4.190 -0.296 0.177) 4.205 4.040 ( -7.774 2.783 0.502) 8.272 4.107 ( -6.291 -0.741 2.093) 6.671 4.359 ( -2.793 2.244 -5.390) 6.472 4.366 ( -0.968 1.869 -3.283) 3.900 4.660 ( 2.209 -1.174 5.049) 5.635 4.698 ( 1.578 -3.432 4.774) 6.087 4.858 ( -5.880 3.998 -0.922) 7.170 4.926 ( -6.883 -2.694 0.845) 7.439 5.085 ( -0.289 1.615 -5.516) 5.754 5.126 ( -2.399 -2.854 -3.644) 5.213 5.303 ( 1.995 0.964 -0.469) 2.265 5.344 ( -1.451 -2.547 2.130) 3.623 5.679 ( 2.053 1.293 1.429) 2.816 5.721 ( 2.511 -2.790 2.327) 4.417 5.780 ( -1.335 1.668 -0.276) 2.155 5.819 ( -1.608 -1.751 -0.400) 2.411 6.282 ( -10.965 3.958 -2.181) 11.860 6.330 ( -7.575 -1.710 -1.057) 7.837 6.422 ( -3.061 0.418 1.122) 3.287 6.487 ( 0.213 -0.391 0.809) 0.924 6.492 ( -7.334 -4.927 1.700) 8.998 6.530 ( -0.622 -4.183 0.405) 4.248 7.011 ( 12.165 3.945 -0.823) 12.815 7.116 ( 12.038 -6.236 -0.284) 13.561 7.310 ( -0.550 7.703 0.067) 7.722 7.444 ( 0.032 -5.246 0.019) 5.246 7.672 ( 1.972 4.901 0.109) 5.284 7.724 ( 2.138 0.145 0.027) 2.143 7.836 ( 2.447 2.494 0.513) 3.531 7.884 ( 1.798 -2.150 0.903) 2.945 8.848 ( 10.083 2.296 0.626) 10.360 8.863 ( 10.414 0.838 -0.482) 10.459 8.961 ( 8.957 3.550 -0.581) 9.652 8.996 ( 9.212 0.086 -1.273) 9.300 9.370 ( -3.303 3.843 1.815) 5.383 9.409 ( -2.167 -0.016 0.403) 2.204 9.541 ( 2.529 2.975 -0.626) 3.954 9.576 ( 1.407 -0.352 -0.726) 1.622 10.069 ( -0.706 2.777 -1.590) 3.277 10.099 ( -1.268 -0.020 -2.093) 2.447 10.291 ( -5.270 1.458 -0.053) 5.468 10.319 ( -5.579 -1.547 0.476) 5.808 10.765 ( -0.036 0.864 -2.541) 2.684 10.785 ( -1.109 -0.923 1.973) 2.444 10.966 ( 5.137 -0.987 -2.396) 5.753 10.970 ( 1.684 -2.175 -1.686) 3.226 11.057 ( -2.043 -1.112 9.227) 9.515 11.090 ( -1.502 -3.852 6.058) 7.335 11.505 ( -5.852 6.348 -5.228) 10.093 11.605 ( -7.100 -2.574 -3.622) 8.375 11.822 ( -4.452 -0.948 3.126) 5.523 11.844 ( -3.293 -3.581 0.512) 4.892 13.344 ( 6.286 5.069 0.889) 8.124 13.472 ( 7.622 -7.570 -2.076) 10.941 14.030 ( -8.182 3.349 2.378) 9.155 14.093 ( -7.843 -2.467 4.221) 9.242 14.602 ( 0.610 3.353 0.316) 3.423 14.689 ( 5.279 -4.044 0.627) 6.680 15.010 ( -2.748 11.042 -8.791) 14.379 15.266 ( 4.353 -13.433 -11.068) 17.941 15.963 ( -6.874 23.110 -1.318) 24.147 16.108 ( -9.573 12.263 -3.356) 15.915 16.959 ( 5.554 -12.075 -2.546) 13.533 17.081 ( -3.129 -17.368 14.019) 22.538 18.233 ( 12.832 6.211 3.471) 14.672 18.346 ( 12.547 -6.693 4.319) 14.862 20.234 ( -11.926 8.172 -5.318) 15.404 20.356 ( -13.977 -4.301 0.548) 14.634 21.375 ( 7.870 1.151 -0.135) 7.955 21.404 ( 7.739 -1.738 0.434) 7.943 21.951 ( -2.634 0.980 0.171) 2.816 21.965 ( -2.463 -0.343 0.218) 2.496 ======================= Grid point 162 (75/75) ======================= q-point: ( 0.43 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 3.369 9.930 -3.560) 11.074 1.860 ( -0.997 7.679 1.642) 7.916 2.070 ( 3.834 -0.910 3.298) 5.138 2.131 ( -0.188 -8.079 -3.790) 8.925 2.266 ( 0.177 8.304 2.418) 8.650 2.299 ( -2.961 3.943 0.255) 4.937 2.430 ( -0.542 -1.076 2.972) 3.207 2.491 ( -4.358 -1.819 -3.229) 5.721 2.555 ( 6.605 4.902 4.711) 9.479 2.671 ( -3.162 2.267 -2.952) 4.884 2.758 ( -0.001 -6.360 -0.203) 6.363 2.788 ( -3.810 -7.232 -2.811) 8.644 2.872 ( 2.314 8.545 -5.673) 10.515 2.886 ( -2.377 5.564 6.315) 8.746 3.074 ( 0.305 -12.695 8.407) 15.230 3.110 ( 1.934 -13.319 -6.048) 14.755 3.305 ( 6.101 2.687 3.989) 7.769 3.366 ( 4.844 -2.194 3.785) 6.527 3.535 ( -5.889 1.839 -4.307) 7.524 3.593 ( -4.347 -2.795 -4.435) 6.810 3.702 ( 1.873 3.695 -2.839) 5.022 3.735 ( 1.247 0.089 0.568) 1.373 3.946 ( -2.321 2.416 -0.450) 3.380 3.960 ( -3.854 1.839 0.443) 4.293 4.075 ( 7.060 4.183 4.774) 9.493 4.138 ( 5.907 -1.593 5.056) 7.937 4.238 ( -6.648 3.735 -4.761) 8.990 4.287 ( -5.298 -0.994 -5.320) 7.574 4.711 ( 1.070 -2.840 2.293) 3.804 4.731 ( -0.005 -4.081 0.553) 4.118 4.794 ( -0.975 3.860 2.057) 4.481 4.831 ( -3.644 -0.573 -0.301) 3.701 5.054 ( 0.395 0.608 -3.754) 3.824 5.068 ( -2.359 -1.066 -0.173) 2.594 5.331 ( 1.826 0.327 -2.075) 2.783 5.340 ( -0.697 -0.387 2.176) 2.318 5.715 ( 0.432 1.051 0.704) 1.337 5.736 ( -1.460 -0.926 -0.650) 1.847 5.818 ( 5.672 1.906 2.017) 6.315 5.860 ( 4.916 -2.172 1.328) 5.536 6.062 ( -8.830 3.236 -2.110) 9.639 6.118 ( -11.529 -2.184 -1.606) 11.843 6.421 ( 1.249 -1.390 -0.666) 1.984 6.441 ( -1.783 -3.322 1.668) 4.123 6.504 ( 0.810 -1.578 0.773) 1.935 6.521 ( -0.809 -3.205 0.210) 3.312 7.195 ( 8.169 5.646 -0.793) 9.962 7.284 ( -2.324 6.001 0.384) 6.447 7.320 ( 9.054 -5.040 -0.198) 10.364 7.425 ( -2.845 -6.162 0.421) 6.800 7.705 ( 1.808 3.078 -0.039) 3.570 7.735 ( -0.938 0.401 -0.161) 1.033 7.852 ( 0.099 2.095 0.791) 2.241 7.875 ( -1.894 -0.243 -0.185) 1.919 9.049 ( 10.594 2.767 -0.549) 10.963 9.063 ( 9.592 1.482 -0.626) 9.726 9.093 ( 5.411 2.863 0.486) 6.141 9.122 ( 5.842 0.167 0.021) 5.844 9.264 ( -8.705 2.876 1.750) 9.333 9.304 ( -8.515 -1.058 -1.032) 8.643 9.604 ( 3.305 1.904 -0.460) 3.842 9.614 ( 1.824 0.894 -0.022) 2.031 10.059 ( -0.086 1.789 0.110) 1.795 10.068 ( -0.750 0.888 -1.435) 1.847 10.217 ( -2.312 0.663 0.084) 2.407 10.230 ( -3.749 -0.868 0.150) 3.851 10.750 ( 0.381 0.055 -1.552) 1.599 10.764 ( -1.714 -1.217 0.772) 2.239 11.004 ( 2.481 0.346 -0.736) 2.611 11.025 ( 0.581 -0.320 0.306) 0.731 11.093 ( 1.269 -4.328 4.149) 6.128 11.107 ( 0.053 -4.452 3.049) 5.397 11.408 ( -0.823 6.546 -3.686) 7.558 11.461 ( -6.813 1.573 -0.612) 7.019 11.768 ( -1.998 -2.158 1.372) 3.245 11.783 ( -2.490 -3.729 -1.294) 4.667 13.505 ( 10.234 5.648 1.679) 11.809 13.598 ( 6.434 -2.463 -4.339) 8.142 13.855 ( -9.048 0.045 1.444) 9.163 13.917 ( -12.362 -4.975 3.428) 13.759 14.693 ( 6.727 8.262 7.085) 12.795 14.872 ( -5.416 10.844 -8.607) 14.866 14.901 ( 11.900 -9.298 8.237) 17.202 15.171 ( -6.171 -16.507 -17.215) 24.636 15.892 ( -1.422 20.903 3.677) 21.271 15.949 ( -5.498 15.496 -2.413) 16.619 17.037 ( 5.495 -13.845 -5.457) 15.863 17.083 ( -4.602 -16.072 10.049) 19.506 18.473 ( 9.509 4.159 3.725) 11.027 18.534 ( 4.711 -2.706 0.290) 5.441 20.052 ( -3.750 5.319 -2.102) 6.839 20.118 ( -10.574 -1.417 -0.646) 10.688 21.500 ( 5.110 0.673 -0.030) 5.155 21.517 ( 3.533 -0.985 0.150) 3.670 21.907 ( -1.615 0.847 0.104) 1.827 21.917 ( -2.416 -0.096 0.055) 2.419 =================== 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 3/24192 10.0 663.860 897.193 532.235 0.000 21.384 0.000 3/24192 20.0 93.533 119.528 82.560 0.000 1.524 0.000 3/24192 30.0 33.775 42.547 30.452 0.000 0.823 0.000 3/24192 40.0 18.614 23.070 16.699 0.000 0.530 0.000 3/24192 50.0 12.434 15.231 11.067 0.000 0.380 0.000 3/24192 60.0 9.220 11.198 8.148 0.000 0.292 0.000 3/24192 70.0 7.292 8.799 6.407 0.000 0.235 0.000 3/24192 80.0 6.024 7.230 5.266 0.000 0.195 0.000 3/24192 90.0 5.133 6.134 4.468 0.000 0.167 0.000 3/24192 100.0 4.477 5.329 3.882 0.000 0.145 0.000 3/24192 110.0 3.974 4.717 3.437 0.000 0.129 0.000 3/24192 120.0 3.579 4.236 3.088 0.000 0.117 0.000 3/24192 130.0 3.259 3.849 2.808 0.000 0.107 0.000 3/24192 140.0 2.996 3.531 2.579 0.000 0.099 0.000 3/24192 150.0 2.776 3.266 2.388 0.000 0.093 0.000 3/24192 160.0 2.589 3.042 2.227 0.000 0.088 0.000 3/24192 170.0 2.428 2.849 2.089 0.000 0.084 0.000 3/24192 180.0 2.288 2.681 1.969 0.000 0.081 0.000 3/24192 190.0 2.165 2.534 1.864 0.000 0.079 0.000 3/24192 200.0 2.056 2.404 1.771 0.000 0.076 0.000 3/24192 210.0 1.959 2.287 1.688 0.000 0.074 0.000 3/24192 220.0 1.871 2.183 1.613 0.000 0.073 0.000 3/24192 230.0 1.792 2.088 1.546 0.000 0.071 0.000 3/24192 240.0 1.719 2.002 1.484 0.000 0.070 0.000 3/24192 250.0 1.653 1.923 1.428 0.000 0.068 0.000 3/24192 260.0 1.592 1.850 1.376 0.000 0.067 0.000 3/24192 270.0 1.536 1.783 1.328 0.000 0.066 0.000 3/24192 280.0 1.484 1.721 1.284 0.000 0.065 0.000 3/24192 290.0 1.435 1.663 1.243 0.000 0.064 0.000 3/24192 300.0 1.390 1.610 1.204 0.000 0.063 0.000 3/24192 310.0 1.348 1.559 1.168 0.000 0.062 0.000 3/24192 320.0 1.308 1.512 1.134 0.000 0.061 0.000 3/24192 330.0 1.271 1.468 1.102 0.000 0.060 0.000 3/24192 340.0 1.236 1.426 1.072 0.000 0.059 0.000 3/24192 350.0 1.202 1.387 1.043 0.000 0.058 0.000 3/24192 360.0 1.171 1.350 1.016 0.000 0.057 0.000 3/24192 370.0 1.141 1.314 0.991 0.000 0.056 0.000 3/24192 380.0 1.113 1.281 0.966 0.000 0.055 0.000 3/24192 390.0 1.086 1.249 0.943 0.000 0.055 0.000 3/24192 400.0 1.060 1.219 0.921 0.000 0.054 0.000 3/24192 410.0 1.036 1.190 0.900 0.000 0.053 0.000 3/24192 420.0 1.012 1.163 0.880 0.000 0.052 0.000 3/24192 430.0 0.990 1.137 0.861 0.000 0.051 0.000 3/24192 440.0 0.969 1.112 0.842 0.000 0.051 0.000 3/24192 450.0 0.948 1.088 0.825 0.000 0.050 0.000 3/24192 460.0 0.929 1.065 0.808 0.000 0.049 0.000 3/24192 470.0 0.910 1.043 0.791 0.000 0.048 0.000 3/24192 480.0 0.892 1.022 0.776 0.000 0.048 0.000 3/24192 490.0 0.874 1.002 0.761 0.000 0.047 0.000 3/24192 500.0 0.858 0.982 0.746 0.000 0.046 0.000 3/24192 510.0 0.842 0.963 0.732 0.000 0.046 0.000 3/24192 520.0 0.826 0.945 0.719 0.000 0.045 0.000 3/24192 530.0 0.811 0.928 0.706 0.000 0.044 0.000 3/24192 540.0 0.797 0.911 0.694 0.000 0.044 0.000 3/24192 550.0 0.783 0.895 0.682 0.000 0.043 0.000 3/24192 560.0 0.769 0.879 0.670 0.000 0.043 0.000 3/24192 570.0 0.756 0.864 0.659 0.000 0.042 0.000 3/24192 580.0 0.744 0.850 0.648 0.000 0.041 0.000 3/24192 590.0 0.732 0.836 0.637 0.000 0.041 0.000 3/24192 600.0 0.720 0.822 0.627 0.000 0.040 0.000 3/24192 610.0 0.709 0.809 0.617 0.000 0.040 0.000 3/24192 620.0 0.698 0.796 0.608 0.000 0.039 0.000 3/24192 630.0 0.687 0.784 0.598 0.000 0.039 0.000 3/24192 640.0 0.677 0.772 0.589 0.000 0.038 0.000 3/24192 650.0 0.666 0.760 0.581 0.000 0.038 0.000 3/24192 660.0 0.657 0.749 0.572 0.000 0.037 0.000 3/24192 670.0 0.647 0.738 0.564 0.000 0.037 0.000 3/24192 680.0 0.638 0.727 0.556 0.000 0.036 0.000 3/24192 690.0 0.629 0.717 0.548 0.000 0.036 0.000 3/24192 700.0 0.620 0.707 0.540 0.000 0.036 0.000 3/24192 710.0 0.612 0.697 0.533 0.000 0.035 0.000 3/24192 720.0 0.603 0.688 0.526 0.000 0.035 0.000 3/24192 730.0 0.595 0.678 0.519 0.000 0.034 0.000 3/24192 740.0 0.588 0.669 0.512 0.000 0.034 0.000 3/24192 750.0 0.580 0.660 0.505 0.000 0.034 0.000 3/24192 760.0 0.573 0.652 0.499 0.000 0.033 0.000 3/24192 770.0 0.565 0.644 0.493 0.000 0.033 0.000 3/24192 780.0 0.558 0.635 0.487 0.000 0.032 0.000 3/24192 790.0 0.551 0.628 0.481 0.000 0.032 0.000 3/24192 800.0 0.545 0.620 0.475 0.000 0.032 0.000 3/24192 810.0 0.538 0.612 0.469 0.000 0.031 0.000 3/24192 820.0 0.532 0.605 0.463 0.000 0.031 0.000 3/24192 830.0 0.525 0.598 0.458 0.000 0.031 0.000 3/24192 840.0 0.519 0.591 0.453 0.000 0.030 0.000 3/24192 850.0 0.513 0.584 0.447 0.000 0.030 0.000 3/24192 860.0 0.507 0.577 0.442 0.000 0.030 0.000 3/24192 870.0 0.502 0.571 0.437 0.000 0.029 0.000 3/24192 880.0 0.496 0.564 0.432 0.000 0.029 0.000 3/24192 890.0 0.491 0.558 0.428 0.000 0.029 0.000 3/24192 900.0 0.485 0.552 0.423 0.000 0.029 0.000 3/24192 910.0 0.480 0.546 0.419 0.000 0.028 0.000 3/24192 920.0 0.475 0.540 0.414 0.000 0.028 0.000 3/24192 930.0 0.470 0.534 0.410 0.000 0.028 0.000 3/24192 940.0 0.465 0.529 0.405 0.000 0.027 0.000 3/24192 950.0 0.460 0.523 0.401 0.000 0.027 0.000 3/24192 960.0 0.455 0.518 0.397 0.000 0.027 0.000 3/24192 970.0 0.451 0.512 0.393 0.000 0.027 0.000 3/24192 980.0 0.446 0.507 0.389 0.000 0.026 0.000 3/24192 990.0 0.442 0.502 0.385 0.000 0.026 0.000 3/24192 1000.0 0.438 0.497 0.382 0.000 0.026 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m794.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:44:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|