----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:00:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -1.073170657799162 0.000000000000000 6.345563065448854 Atomic positions (fractional): *1 O 0.86251393103797 0.55937319749259 0.89756128810255 15.999 2 O 0.13748606896203 0.05937319749259 0.60243871189745 15.999 3 O 0.13748606896203 0.44062680250741 0.10243871189745 15.999 4 O 0.86251393103797 0.94062680250741 0.39756128810255 15.999 *5 O 0.91533956044195 0.56069383742015 0.30453078823952 15.999 6 O 0.08466043955805 0.06069383742015 0.19546921176048 15.999 7 O 0.08466043955805 0.43930616257985 0.69546921176048 15.999 8 O 0.91533956044195 0.93930616257985 0.80453078823952 15.999 *9 O 0.77868581364881 0.72011636464105 0.12879771131814 15.999 10 O 0.22131418635119 0.22011636464105 0.37120228868186 15.999 11 O 0.22131418635119 0.27988363535895 0.87120228868186 15.999 12 O 0.77868581364881 0.77988363535895 0.62879771131814 15.999 *13 O 0.03055449843496 0.70458149051502 0.08221706398096 15.999 14 O 0.96944550156504 0.20458149051502 0.41778293601903 15.999 15 O 0.96944550156504 0.29541850948498 0.91778293601904 15.999 16 O 0.03055449843496 0.79541850948498 0.58221706398096 15.999 *17 O 0.49756475983165 0.19042315166618 0.82082524719326 15.999 18 O 0.50243524016835 0.69042315166618 0.67917475280674 15.999 19 O 0.50243524016835 0.80957684833382 0.17917475280674 15.999 20 O 0.49756475983165 0.30957684833382 0.32082524719326 15.999 *21 O 0.54908783846358 0.52189232985437 0.25426539291909 15.999 22 O 0.45091216153642 0.02189232985437 0.24573460708091 15.999 23 O 0.45091216153642 0.47810767014563 0.74573460708091 15.999 24 O 0.54908783846358 0.97810767014563 0.75426539291909 15.999 *25 O 0.72082184262191 0.40661120129980 0.51552058518246 15.999 26 O 0.27917815737809 0.90661120129980 0.98447941481754 15.999 27 O 0.27917815737809 0.59338879870020 0.48447941481754 15.999 28 O 0.72082184262191 0.09338879870020 0.01552058518246 15.999 *29 O 0.70363564405223 0.35831771384919 0.14572932625231 15.999 30 O 0.29636435594777 0.85831771384919 0.35427067374769 15.999 31 O 0.29636435594777 0.64168228615081 0.85427067374769 15.999 32 O 0.70363564405223 0.14168228615081 0.64572932625231 15.999 *33 P 0.89586461588822 0.63331617436165 0.09613763297156 30.974 34 P 0.10413538411178 0.13331617436165 0.40386236702844 30.974 35 P 0.10413538411178 0.36668382563835 0.90386236702844 30.974 36 P 0.89586461588822 0.86668382563835 0.59613763297156 30.974 *37 P 0.61159855333323 0.10138540391674 0.80948650155033 30.974 38 P 0.38840144666677 0.60138540391674 0.69051349844967 30.974 39 P 0.38840144666677 0.89861459608326 0.19051349844967 30.974 40 P 0.61159855333323 0.39861459608326 0.30948650155034 30.974 *41 Hg 0.65395184907059 0.83264072006085 0.91502452452267 200.590 42 Hg 0.34604815092941 0.33264072006085 0.58497547547733 200.590 43 Hg 0.34604815092941 0.16735927993915 0.08497547547733 200.590 44 Hg 0.65395184907059 0.66735927993915 0.41502452452267 200.590 *45 Hg 0.69904672351750 0.10555735515598 0.32878683087304 200.590 46 Hg 0.30095327648250 0.60555735515598 0.17121316912696 200.590 47 Hg 0.30095327648250 0.89444264484402 0.67121316912696 200.590 48 Hg 0.69904672351750 0.39444264484402 0.82878683087304 200.590 *49 Hg 0.03926566343251 0.88011857041859 0.17628316570381 200.590 50 Hg 0.96073433656749 0.38011857041859 0.32371683429619 200.590 51 Hg 0.96073433656749 0.11988142958141 0.82371683429619 200.590 52 Hg 0.03926566343251 0.61988142958141 0.67628316570381 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -1.073170657799162 0.000000000000000 6.345563065448854 Atomic positions (fractional): *1 O 0.86251393103797 0.55937319749259 0.89756128810255 15.999 > 1 2 O 0.13748606896203 0.05937319749259 0.60243871189745 15.999 > 2 3 O 0.13748606896203 0.44062680250741 0.10243871189745 15.999 > 3 4 O 0.86251393103797 0.94062680250741 0.39756128810255 15.999 > 4 *5 O 0.91533956044195 0.56069383742015 0.30453078823952 15.999 > 5 6 O 0.08466043955805 0.06069383742015 0.19546921176048 15.999 > 6 7 O 0.08466043955805 0.43930616257985 0.69546921176048 15.999 > 7 8 O 0.91533956044195 0.93930616257985 0.80453078823952 15.999 > 8 *9 O 0.77868581364881 0.72011636464105 0.12879771131814 15.999 > 9 10 O 0.22131418635119 0.22011636464105 0.37120228868186 15.999 > 10 11 O 0.22131418635119 0.27988363535895 0.87120228868186 15.999 > 11 12 O 0.77868581364881 0.77988363535895 0.62879771131814 15.999 > 12 *13 O 0.03055449843496 0.70458149051502 0.08221706398096 15.999 > 13 14 O 0.96944550156504 0.20458149051502 0.41778293601903 15.999 > 14 15 O 0.96944550156504 0.29541850948498 0.91778293601904 15.999 > 15 16 O 0.03055449843496 0.79541850948498 0.58221706398096 15.999 > 16 *17 O 0.49756475983165 0.19042315166618 0.82082524719326 15.999 > 17 18 O 0.50243524016835 0.69042315166618 0.67917475280674 15.999 > 18 19 O 0.50243524016835 0.80957684833382 0.17917475280674 15.999 > 19 20 O 0.49756475983165 0.30957684833382 0.32082524719326 15.999 > 20 *21 O 0.54908783846358 0.52189232985437 0.25426539291909 15.999 > 21 22 O 0.45091216153642 0.02189232985437 0.24573460708091 15.999 > 22 23 O 0.45091216153642 0.47810767014563 0.74573460708091 15.999 > 23 24 O 0.54908783846358 0.97810767014563 0.75426539291909 15.999 > 24 *25 O 0.72082184262191 0.40661120129980 0.51552058518246 15.999 > 25 26 O 0.27917815737809 0.90661120129980 0.98447941481754 15.999 > 26 27 O 0.27917815737809 0.59338879870020 0.48447941481754 15.999 > 27 28 O 0.72082184262191 0.09338879870020 0.01552058518246 15.999 > 28 *29 O 0.70363564405223 0.35831771384919 0.14572932625231 15.999 > 29 30 O 0.29636435594777 0.85831771384919 0.35427067374769 15.999 > 30 31 O 0.29636435594777 0.64168228615081 0.85427067374769 15.999 > 31 32 O 0.70363564405223 0.14168228615081 0.64572932625231 15.999 > 32 *33 P 0.89586461588822 0.63331617436165 0.09613763297156 30.974 > 33 34 P 0.10413538411178 0.13331617436165 0.40386236702844 30.974 > 34 35 P 0.10413538411178 0.36668382563835 0.90386236702844 30.974 > 35 36 P 0.89586461588822 0.86668382563835 0.59613763297156 30.974 > 36 *37 P 0.61159855333323 0.10138540391674 0.80948650155033 30.974 > 37 38 P 0.38840144666677 0.60138540391674 0.69051349844967 30.974 > 38 39 P 0.38840144666677 0.89861459608326 0.19051349844967 30.974 > 39 40 P 0.61159855333323 0.39861459608326 0.30948650155034 30.974 > 40 *41 Hg 0.65395184907059 0.83264072006085 0.91502452452267 200.590 > 41 42 Hg 0.34604815092941 0.33264072006085 0.58497547547733 200.590 > 42 43 Hg 0.34604815092941 0.16735927993915 0.08497547547733 200.590 > 43 44 Hg 0.65395184907059 0.66735927993915 0.41502452452267 200.590 > 44 *45 Hg 0.69904672351750 0.10555735515598 0.32878683087304 200.590 > 45 46 Hg 0.30095327648250 0.60555735515598 0.17121316912696 200.590 > 46 47 Hg 0.30095327648250 0.89444264484402 0.67121316912696 200.590 > 47 48 Hg 0.69904672351750 0.39444264484402 0.82878683087304 200.590 > 48 *49 Hg 0.03926566343251 0.88011857041859 0.17628316570381 200.590 > 49 50 Hg 0.96073433656749 0.38011857041859 0.32371683429619 200.590 > 50 51 Hg 0.96073433656749 0.11988142958141 0.82371683429619 200.590 > 51 52 Hg 0.03926566343251 0.61988142958141 0.67628316570381 200.590 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -2.146341315598324 0.000000000000000 12.691126130897707 Atomic positions (fractional): *1 O 0.86251393103797 0.55937319749259 0.44878064405127 15.999 > 1 2 O 0.86251393103797 0.55937319749259 0.94878064405127 15.999 > 1 3 O 0.13748606896203 0.05937319749259 0.30121935594873 15.999 > 2 4 O 0.13748606896203 0.05937319749259 0.80121935594873 15.999 > 2 5 O 0.13748606896203 0.44062680250741 0.05121935594873 15.999 > 3 6 O 0.13748606896203 0.44062680250741 0.55121935594872 15.999 > 3 7 O 0.86251393103797 0.94062680250741 0.19878064405128 15.999 > 4 8 O 0.86251393103797 0.94062680250741 0.69878064405128 15.999 > 4 *9 O 0.91533956044195 0.56069383742015 0.15226539411976 15.999 > 5 10 O 0.91533956044195 0.56069383742015 0.65226539411976 15.999 > 5 11 O 0.08466043955805 0.06069383742015 0.09773460588024 15.999 > 6 12 O 0.08466043955805 0.06069383742015 0.59773460588024 15.999 > 6 13 O 0.08466043955805 0.43930616257985 0.34773460588024 15.999 > 7 14 O 0.08466043955805 0.43930616257985 0.84773460588024 15.999 > 7 15 O 0.91533956044195 0.93930616257985 0.40226539411976 15.999 > 8 16 O 0.91533956044195 0.93930616257985 0.90226539411976 15.999 > 8 *17 O 0.77868581364881 0.72011636464105 0.06439885565907 15.999 > 9 18 O 0.77868581364881 0.72011636464105 0.56439885565907 15.999 > 9 19 O 0.22131418635119 0.22011636464105 0.18560114434093 15.999 > 10 20 O 0.22131418635119 0.22011636464105 0.68560114434093 15.999 > 10 21 O 0.22131418635119 0.27988363535895 0.43560114434093 15.999 > 11 22 O 0.22131418635119 0.27988363535895 0.93560114434093 15.999 > 11 23 O 0.77868581364881 0.77988363535895 0.31439885565907 15.999 > 12 24 O 0.77868581364881 0.77988363535895 0.81439885565907 15.999 > 12 *25 O 0.03055449843496 0.70458149051502 0.04110853199048 15.999 > 13 26 O 0.03055449843496 0.70458149051502 0.54110853199048 15.999 > 13 27 O 0.96944550156504 0.20458149051502 0.20889146800952 15.999 > 14 28 O 0.96944550156504 0.20458149051502 0.70889146800952 15.999 > 14 29 O 0.96944550156504 0.29541850948498 0.45889146800952 15.999 > 15 30 O 0.96944550156504 0.29541850948498 0.95889146800952 15.999 > 15 31 O 0.03055449843496 0.79541850948498 0.29110853199048 15.999 > 16 32 O 0.03055449843496 0.79541850948498 0.79110853199048 15.999 > 16 *33 O 0.49756475983165 0.19042315166618 0.41041262359663 15.999 > 17 34 O 0.49756475983165 0.19042315166618 0.91041262359663 15.999 > 17 35 O 0.50243524016835 0.69042315166618 0.33958737640337 15.999 > 18 36 O 0.50243524016835 0.69042315166618 0.83958737640337 15.999 > 18 37 O 0.50243524016835 0.80957684833382 0.08958737640337 15.999 > 19 38 O 0.50243524016835 0.80957684833382 0.58958737640337 15.999 > 19 39 O 0.49756475983165 0.30957684833382 0.16041262359663 15.999 > 20 40 O 0.49756475983165 0.30957684833382 0.66041262359663 15.999 > 20 *41 O 0.54908783846358 0.52189232985437 0.12713269645954 15.999 > 21 42 O 0.54908783846358 0.52189232985437 0.62713269645954 15.999 > 21 43 O 0.45091216153642 0.02189232985437 0.12286730354046 15.999 > 22 44 O 0.45091216153642 0.02189232985437 0.62286730354046 15.999 > 22 45 O 0.45091216153642 0.47810767014563 0.37286730354046 15.999 > 23 46 O 0.45091216153642 0.47810767014563 0.87286730354046 15.999 > 23 47 O 0.54908783846358 0.97810767014563 0.37713269645954 15.999 > 24 48 O 0.54908783846358 0.97810767014563 0.87713269645954 15.999 > 24 *49 O 0.72082184262191 0.40661120129980 0.25776029259123 15.999 > 25 50 O 0.72082184262191 0.40661120129980 0.75776029259123 15.999 > 25 51 O 0.27917815737809 0.90661120129980 0.49223970740877 15.999 > 26 52 O 0.27917815737809 0.90661120129980 0.99223970740877 15.999 > 26 53 O 0.27917815737809 0.59338879870020 0.24223970740877 15.999 > 27 54 O 0.27917815737809 0.59338879870020 0.74223970740877 15.999 > 27 55 O 0.72082184262191 0.09338879870020 0.00776029259123 15.999 > 28 56 O 0.72082184262191 0.09338879870020 0.50776029259123 15.999 > 28 *57 O 0.70363564405223 0.35831771384919 0.07286466312615 15.999 > 29 58 O 0.70363564405223 0.35831771384919 0.57286466312615 15.999 > 29 59 O 0.29636435594777 0.85831771384919 0.17713533687385 15.999 > 30 60 O 0.29636435594777 0.85831771384919 0.67713533687385 15.999 > 30 61 O 0.29636435594777 0.64168228615081 0.42713533687385 15.999 > 31 62 O 0.29636435594777 0.64168228615081 0.92713533687385 15.999 > 31 63 O 0.70363564405223 0.14168228615081 0.32286466312615 15.999 > 32 64 O 0.70363564405223 0.14168228615081 0.82286466312615 15.999 > 32 *65 P 0.89586461588822 0.63331617436165 0.04806881648578 30.974 > 33 66 P 0.89586461588822 0.63331617436165 0.54806881648578 30.974 > 33 67 P 0.10413538411178 0.13331617436165 0.20193118351422 30.974 > 34 68 P 0.10413538411178 0.13331617436165 0.70193118351422 30.974 > 34 69 P 0.10413538411178 0.36668382563835 0.45193118351422 30.974 > 35 70 P 0.10413538411178 0.36668382563835 0.95193118351422 30.974 > 35 71 P 0.89586461588822 0.86668382563835 0.29806881648578 30.974 > 36 72 P 0.89586461588822 0.86668382563835 0.79806881648578 30.974 > 36 *73 P 0.61159855333323 0.10138540391674 0.40474325077517 30.974 > 37 74 P 0.61159855333323 0.10138540391674 0.90474325077517 30.974 > 37 75 P 0.38840144666677 0.60138540391674 0.34525674922483 30.974 > 38 76 P 0.38840144666677 0.60138540391674 0.84525674922483 30.974 > 38 77 P 0.38840144666677 0.89861459608326 0.09525674922483 30.974 > 39 78 P 0.38840144666677 0.89861459608326 0.59525674922483 30.974 > 39 79 P 0.61159855333323 0.39861459608326 0.15474325077517 30.974 > 40 80 P 0.61159855333323 0.39861459608326 0.65474325077517 30.974 > 40 *81 Hg 0.65395184907059 0.83264072006085 0.45751226226134 200.590 > 41 82 Hg 0.65395184907059 0.83264072006085 0.95751226226134 200.590 > 41 83 Hg 0.34604815092941 0.33264072006085 0.29248773773866 200.590 > 42 84 Hg 0.34604815092941 0.33264072006085 0.79248773773866 200.590 > 42 85 Hg 0.34604815092941 0.16735927993915 0.04248773773866 200.590 > 43 86 Hg 0.34604815092941 0.16735927993915 0.54248773773866 200.590 > 43 87 Hg 0.65395184907059 0.66735927993915 0.20751226226134 200.590 > 44 88 Hg 0.65395184907059 0.66735927993915 0.70751226226134 200.590 > 44 *89 Hg 0.69904672351750 0.10555735515598 0.16439341543652 200.590 > 45 90 Hg 0.69904672351750 0.10555735515598 0.66439341543652 200.590 > 45 91 Hg 0.30095327648250 0.60555735515598 0.08560658456348 200.590 > 46 92 Hg 0.30095327648250 0.60555735515598 0.58560658456348 200.590 > 46 93 Hg 0.30095327648250 0.89444264484402 0.33560658456348 200.590 > 47 94 Hg 0.30095327648250 0.89444264484402 0.83560658456348 200.590 > 47 95 Hg 0.69904672351750 0.39444264484402 0.41439341543652 200.590 > 48 96 Hg 0.69904672351750 0.39444264484402 0.91439341543652 200.590 > 48 *97 Hg 0.03926566343251 0.88011857041859 0.08814158285190 200.590 > 49 98 Hg 0.03926566343251 0.88011857041859 0.58814158285190 200.590 > 49 99 Hg 0.96073433656749 0.38011857041859 0.16185841714810 200.590 > 50 100 Hg 0.96073433656749 0.38011857041859 0.66185841714810 200.590 > 50 101 Hg 0.96073433656749 0.11988142958141 0.41185841714810 200.590 > 51 102 Hg 0.96073433656749 0.11988142958141 0.91185841714810 200.590 > 51 103 Hg 0.03926566343251 0.61988142958141 0.33814158285190 200.590 > 52 104 Hg 0.03926566343251 0.61988142958141 0.83814158285190 200.590 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8420187 0.0000000 -0.1146972 0.0000000 4.1570487 0.0000000 -0.1146985 0.0000000 4.2077672 -------------------------- Born effective charges -------------------------- 1 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 2 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 3 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 4 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 5 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 6 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 7 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 8 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 9 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 10 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 11 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 12 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 13 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 14 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 15 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 16 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 17 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 18 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 19 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 20 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 21 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 22 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 23 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 24 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 25 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 26 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 27 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 28 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 29 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 30 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 31 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 32 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 33 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 34 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 35 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 36 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 37 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 38 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 39 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 40 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 41 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 42 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 43 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 44 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 45 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 46 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 47 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 48 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 49 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 50 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 51 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 52 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.924 Solver_block: 200 / 1600 - Time: 1.662 Solver_block: 300 / 1600 - Time: 1.611 Solver_block: 400 / 1600 - Time: 1.374 Solver_block: 500 / 1600 - Time: 1.584 Solver_block: 600 / 1600 - Time: 1.604 Solver_block: 700 / 1600 - Time: 1.386 Solver_block: 800 / 1600 - Time: 1.439 Solver_block: 900 / 1600 - Time: 1.944 Solver_block: 1000 / 1600 - Time: 1.556 Solver_block: 1100 / 1600 - Time: 1.686 Solver_block: 1200 / 1600 - Time: 1.800 Solver_block: 1300 / 1600 - Time: 1.392 Solver_block: 1400 / 1600 - Time: 1.586 Solver_block: 1500 / 1600 - Time: 1.861 Solver_block: 1600 / 1600 - Time: 1.910 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.102 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:02:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -1.073170657799162 0.000000000000000 6.345563065448854 Atomic positions (fractional): 1 O 0.86251393103797 0.55937319749259 0.89756128810255 15.999 2 O 0.13748606896203 0.05937319749259 0.60243871189745 15.999 3 O 0.13748606896203 0.44062680250741 0.10243871189745 15.999 4 O 0.86251393103797 0.94062680250741 0.39756128810255 15.999 5 O 0.91533956044195 0.56069383742015 0.30453078823952 15.999 6 O 0.08466043955805 0.06069383742015 0.19546921176048 15.999 7 O 0.08466043955805 0.43930616257985 0.69546921176048 15.999 8 O 0.91533956044195 0.93930616257985 0.80453078823952 15.999 9 O 0.77868581364881 0.72011636464105 0.12879771131814 15.999 10 O 0.22131418635119 0.22011636464105 0.37120228868186 15.999 11 O 0.22131418635119 0.27988363535895 0.87120228868186 15.999 12 O 0.77868581364881 0.77988363535895 0.62879771131814 15.999 13 O 0.03055449843496 0.70458149051502 0.08221706398096 15.999 14 O 0.96944550156504 0.20458149051502 0.41778293601903 15.999 15 O 0.96944550156504 0.29541850948498 0.91778293601904 15.999 16 O 0.03055449843496 0.79541850948498 0.58221706398096 15.999 17 O 0.49756475983165 0.19042315166618 0.82082524719326 15.999 18 O 0.50243524016835 0.69042315166618 0.67917475280674 15.999 19 O 0.50243524016835 0.80957684833382 0.17917475280674 15.999 20 O 0.49756475983165 0.30957684833382 0.32082524719326 15.999 21 O 0.54908783846358 0.52189232985437 0.25426539291909 15.999 22 O 0.45091216153642 0.02189232985437 0.24573460708091 15.999 23 O 0.45091216153642 0.47810767014563 0.74573460708091 15.999 24 O 0.54908783846358 0.97810767014563 0.75426539291909 15.999 25 O 0.72082184262191 0.40661120129980 0.51552058518246 15.999 26 O 0.27917815737809 0.90661120129980 0.98447941481754 15.999 27 O 0.27917815737809 0.59338879870020 0.48447941481754 15.999 28 O 0.72082184262191 0.09338879870020 0.01552058518246 15.999 29 O 0.70363564405223 0.35831771384919 0.14572932625231 15.999 30 O 0.29636435594777 0.85831771384919 0.35427067374769 15.999 31 O 0.29636435594777 0.64168228615081 0.85427067374769 15.999 32 O 0.70363564405223 0.14168228615081 0.64572932625231 15.999 33 P 0.89586461588822 0.63331617436165 0.09613763297156 30.974 34 P 0.10413538411178 0.13331617436165 0.40386236702844 30.974 35 P 0.10413538411178 0.36668382563835 0.90386236702844 30.974 36 P 0.89586461588822 0.86668382563835 0.59613763297156 30.974 37 P 0.61159855333323 0.10138540391674 0.80948650155033 30.974 38 P 0.38840144666677 0.60138540391674 0.69051349844967 30.974 39 P 0.38840144666677 0.89861459608326 0.19051349844967 30.974 40 P 0.61159855333323 0.39861459608326 0.30948650155034 30.974 41 Hg 0.65395184907059 0.83264072006085 0.91502452452267 200.590 42 Hg 0.34604815092941 0.33264072006085 0.58497547547733 200.590 43 Hg 0.34604815092941 0.16735927993915 0.08497547547733 200.590 44 Hg 0.65395184907059 0.66735927993915 0.41502452452267 200.590 45 Hg 0.69904672351750 0.10555735515598 0.32878683087304 200.590 46 Hg 0.30095327648250 0.60555735515598 0.17121316912696 200.590 47 Hg 0.30095327648250 0.89444264484402 0.67121316912696 200.590 48 Hg 0.69904672351750 0.39444264484402 0.82878683087304 200.590 49 Hg 0.03926566343251 0.88011857041859 0.17628316570381 200.590 50 Hg 0.96073433656749 0.38011857041859 0.32371683429619 200.590 51 Hg 0.96073433656749 0.11988142958141 0.82371683429619 200.590 52 Hg 0.03926566343251 0.61988142958141 0.67628316570381 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -2.146341315598324 0.000000000000000 12.691126130897707 Atomic positions (fractional): 1 O 0.86251393103797 0.55937319749259 0.44878064405127 15.999 > 1 2 O 0.86251393103797 0.55937319749259 0.94878064405127 15.999 > 1 3 O 0.13748606896203 0.05937319749259 0.30121935594873 15.999 > 3 4 O 0.13748606896203 0.05937319749259 0.80121935594873 15.999 > 3 5 O 0.13748606896203 0.44062680250741 0.05121935594873 15.999 > 5 6 O 0.13748606896203 0.44062680250741 0.55121935594872 15.999 > 5 7 O 0.86251393103797 0.94062680250741 0.19878064405128 15.999 > 7 8 O 0.86251393103797 0.94062680250741 0.69878064405128 15.999 > 7 9 O 0.91533956044195 0.56069383742015 0.15226539411976 15.999 > 9 10 O 0.91533956044195 0.56069383742015 0.65226539411976 15.999 > 9 11 O 0.08466043955805 0.06069383742015 0.09773460588024 15.999 > 11 12 O 0.08466043955805 0.06069383742015 0.59773460588024 15.999 > 11 13 O 0.08466043955805 0.43930616257985 0.34773460588024 15.999 > 13 14 O 0.08466043955805 0.43930616257985 0.84773460588024 15.999 > 13 15 O 0.91533956044195 0.93930616257985 0.40226539411976 15.999 > 15 16 O 0.91533956044195 0.93930616257985 0.90226539411976 15.999 > 15 17 O 0.77868581364881 0.72011636464105 0.06439885565907 15.999 > 17 18 O 0.77868581364881 0.72011636464105 0.56439885565907 15.999 > 17 19 O 0.22131418635119 0.22011636464105 0.18560114434093 15.999 > 19 20 O 0.22131418635119 0.22011636464105 0.68560114434093 15.999 > 19 21 O 0.22131418635119 0.27988363535895 0.43560114434093 15.999 > 21 22 O 0.22131418635119 0.27988363535895 0.93560114434093 15.999 > 21 23 O 0.77868581364881 0.77988363535895 0.31439885565907 15.999 > 23 24 O 0.77868581364881 0.77988363535895 0.81439885565907 15.999 > 23 25 O 0.03055449843496 0.70458149051502 0.04110853199048 15.999 > 25 26 O 0.03055449843496 0.70458149051502 0.54110853199048 15.999 > 25 27 O 0.96944550156504 0.20458149051502 0.20889146800952 15.999 > 27 28 O 0.96944550156504 0.20458149051502 0.70889146800952 15.999 > 27 29 O 0.96944550156504 0.29541850948498 0.45889146800952 15.999 > 29 30 O 0.96944550156504 0.29541850948498 0.95889146800952 15.999 > 29 31 O 0.03055449843496 0.79541850948498 0.29110853199048 15.999 > 31 32 O 0.03055449843496 0.79541850948498 0.79110853199048 15.999 > 31 33 O 0.49756475983165 0.19042315166618 0.41041262359663 15.999 > 33 34 O 0.49756475983165 0.19042315166618 0.91041262359663 15.999 > 33 35 O 0.50243524016835 0.69042315166618 0.33958737640337 15.999 > 35 36 O 0.50243524016835 0.69042315166618 0.83958737640337 15.999 > 35 37 O 0.50243524016835 0.80957684833382 0.08958737640337 15.999 > 37 38 O 0.50243524016835 0.80957684833382 0.58958737640337 15.999 > 37 39 O 0.49756475983165 0.30957684833382 0.16041262359663 15.999 > 39 40 O 0.49756475983165 0.30957684833382 0.66041262359663 15.999 > 39 41 O 0.54908783846358 0.52189232985437 0.12713269645954 15.999 > 41 42 O 0.54908783846358 0.52189232985437 0.62713269645954 15.999 > 41 43 O 0.45091216153642 0.02189232985437 0.12286730354046 15.999 > 43 44 O 0.45091216153642 0.02189232985437 0.62286730354046 15.999 > 43 45 O 0.45091216153642 0.47810767014563 0.37286730354046 15.999 > 45 46 O 0.45091216153642 0.47810767014563 0.87286730354046 15.999 > 45 47 O 0.54908783846358 0.97810767014563 0.37713269645954 15.999 > 47 48 O 0.54908783846358 0.97810767014563 0.87713269645954 15.999 > 47 49 O 0.72082184262191 0.40661120129980 0.25776029259123 15.999 > 49 50 O 0.72082184262191 0.40661120129980 0.75776029259123 15.999 > 49 51 O 0.27917815737809 0.90661120129980 0.49223970740877 15.999 > 51 52 O 0.27917815737809 0.90661120129980 0.99223970740877 15.999 > 51 53 O 0.27917815737809 0.59338879870020 0.24223970740877 15.999 > 53 54 O 0.27917815737809 0.59338879870020 0.74223970740877 15.999 > 53 55 O 0.72082184262191 0.09338879870020 0.00776029259123 15.999 > 55 56 O 0.72082184262191 0.09338879870020 0.50776029259123 15.999 > 55 57 O 0.70363564405223 0.35831771384919 0.07286466312615 15.999 > 57 58 O 0.70363564405223 0.35831771384919 0.57286466312615 15.999 > 57 59 O 0.29636435594777 0.85831771384919 0.17713533687385 15.999 > 59 60 O 0.29636435594777 0.85831771384919 0.67713533687385 15.999 > 59 61 O 0.29636435594777 0.64168228615081 0.42713533687385 15.999 > 61 62 O 0.29636435594777 0.64168228615081 0.92713533687385 15.999 > 61 63 O 0.70363564405223 0.14168228615081 0.32286466312615 15.999 > 63 64 O 0.70363564405223 0.14168228615081 0.82286466312615 15.999 > 63 65 P 0.89586461588822 0.63331617436165 0.04806881648578 30.974 > 65 66 P 0.89586461588822 0.63331617436165 0.54806881648578 30.974 > 65 67 P 0.10413538411178 0.13331617436165 0.20193118351422 30.974 > 67 68 P 0.10413538411178 0.13331617436165 0.70193118351422 30.974 > 67 69 P 0.10413538411178 0.36668382563835 0.45193118351422 30.974 > 69 70 P 0.10413538411178 0.36668382563835 0.95193118351422 30.974 > 69 71 P 0.89586461588822 0.86668382563835 0.29806881648578 30.974 > 71 72 P 0.89586461588822 0.86668382563835 0.79806881648578 30.974 > 71 73 P 0.61159855333323 0.10138540391674 0.40474325077517 30.974 > 73 74 P 0.61159855333323 0.10138540391674 0.90474325077517 30.974 > 73 75 P 0.38840144666677 0.60138540391674 0.34525674922483 30.974 > 75 76 P 0.38840144666677 0.60138540391674 0.84525674922483 30.974 > 75 77 P 0.38840144666677 0.89861459608326 0.09525674922483 30.974 > 77 78 P 0.38840144666677 0.89861459608326 0.59525674922483 30.974 > 77 79 P 0.61159855333323 0.39861459608326 0.15474325077517 30.974 > 79 80 P 0.61159855333323 0.39861459608326 0.65474325077517 30.974 > 79 81 Hg 0.65395184907059 0.83264072006085 0.45751226226134 200.590 > 81 82 Hg 0.65395184907059 0.83264072006085 0.95751226226134 200.590 > 81 83 Hg 0.34604815092941 0.33264072006085 0.29248773773866 200.590 > 83 84 Hg 0.34604815092941 0.33264072006085 0.79248773773866 200.590 > 83 85 Hg 0.34604815092941 0.16735927993915 0.04248773773866 200.590 > 85 86 Hg 0.34604815092941 0.16735927993915 0.54248773773866 200.590 > 85 87 Hg 0.65395184907059 0.66735927993915 0.20751226226134 200.590 > 87 88 Hg 0.65395184907059 0.66735927993915 0.70751226226134 200.590 > 87 89 Hg 0.69904672351750 0.10555735515598 0.16439341543652 200.590 > 89 90 Hg 0.69904672351750 0.10555735515598 0.66439341543652 200.590 > 89 91 Hg 0.30095327648250 0.60555735515598 0.08560658456348 200.590 > 91 92 Hg 0.30095327648250 0.60555735515598 0.58560658456348 200.590 > 91 93 Hg 0.30095327648250 0.89444264484402 0.33560658456348 200.590 > 93 94 Hg 0.30095327648250 0.89444264484402 0.83560658456348 200.590 > 93 95 Hg 0.69904672351750 0.39444264484402 0.41439341543652 200.590 > 95 96 Hg 0.69904672351750 0.39444264484402 0.91439341543652 200.590 > 95 97 Hg 0.03926566343251 0.88011857041859 0.08814158285190 200.590 > 97 98 Hg 0.03926566343251 0.88011857041859 0.58814158285190 200.590 > 97 99 Hg 0.96073433656749 0.38011857041859 0.16185841714810 200.590 > 99 100 Hg 0.96073433656749 0.38011857041859 0.66185841714810 200.590 > 99 101 Hg 0.96073433656749 0.11988142958141 0.41185841714810 200.590 > 101 102 Hg 0.96073433656749 0.11988142958141 0.91185841714810 200.590 > 101 103 Hg 0.03926566343251 0.61988142958141 0.33814158285190 200.590 > 103 104 Hg 0.03926566343251 0.61988142958141 0.83814158285190 200.590 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8420187 0.0000000 -0.1146972 0.0000000 4.1570487 0.0000000 -0.1146985 0.0000000 4.2077672 -------------------------- Born effective charges -------------------------- 1 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 2 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 3 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 4 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 5 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 6 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 7 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 8 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 9 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 10 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 11 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 12 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 13 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 14 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 15 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 16 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 17 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 18 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 19 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 20 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 21 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 22 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 23 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 24 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 25 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 26 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 27 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 28 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 29 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 30 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 31 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 32 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 33 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 34 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 35 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 36 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 37 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 38 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 39 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 40 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 41 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 42 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 43 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 44 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 45 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 46 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 47 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 48 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 49 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 50 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 51 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 52 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 9, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 89, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:03:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:03:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -1.073170657799162 0.000000000000000 6.345563065448854 Atomic positions (fractional): 1 O 0.86251393103797 0.55937319749259 0.89756128810255 15.999 2 O 0.13748606896203 0.05937319749259 0.60243871189745 15.999 3 O 0.13748606896203 0.44062680250741 0.10243871189745 15.999 4 O 0.86251393103797 0.94062680250741 0.39756128810255 15.999 5 O 0.91533956044195 0.56069383742015 0.30453078823952 15.999 6 O 0.08466043955805 0.06069383742015 0.19546921176048 15.999 7 O 0.08466043955805 0.43930616257985 0.69546921176048 15.999 8 O 0.91533956044195 0.93930616257985 0.80453078823952 15.999 9 O 0.77868581364881 0.72011636464105 0.12879771131814 15.999 10 O 0.22131418635119 0.22011636464105 0.37120228868186 15.999 11 O 0.22131418635119 0.27988363535895 0.87120228868186 15.999 12 O 0.77868581364881 0.77988363535895 0.62879771131814 15.999 13 O 0.03055449843496 0.70458149051502 0.08221706398096 15.999 14 O 0.96944550156504 0.20458149051502 0.41778293601903 15.999 15 O 0.96944550156504 0.29541850948498 0.91778293601904 15.999 16 O 0.03055449843496 0.79541850948498 0.58221706398096 15.999 17 O 0.49756475983165 0.19042315166618 0.82082524719326 15.999 18 O 0.50243524016835 0.69042315166618 0.67917475280674 15.999 19 O 0.50243524016835 0.80957684833382 0.17917475280674 15.999 20 O 0.49756475983165 0.30957684833382 0.32082524719326 15.999 21 O 0.54908783846358 0.52189232985437 0.25426539291909 15.999 22 O 0.45091216153642 0.02189232985437 0.24573460708091 15.999 23 O 0.45091216153642 0.47810767014563 0.74573460708091 15.999 24 O 0.54908783846358 0.97810767014563 0.75426539291909 15.999 25 O 0.72082184262191 0.40661120129980 0.51552058518246 15.999 26 O 0.27917815737809 0.90661120129980 0.98447941481754 15.999 27 O 0.27917815737809 0.59338879870020 0.48447941481754 15.999 28 O 0.72082184262191 0.09338879870020 0.01552058518246 15.999 29 O 0.70363564405223 0.35831771384919 0.14572932625231 15.999 30 O 0.29636435594777 0.85831771384919 0.35427067374769 15.999 31 O 0.29636435594777 0.64168228615081 0.85427067374769 15.999 32 O 0.70363564405223 0.14168228615081 0.64572932625231 15.999 33 P 0.89586461588822 0.63331617436165 0.09613763297156 30.974 34 P 0.10413538411178 0.13331617436165 0.40386236702844 30.974 35 P 0.10413538411178 0.36668382563835 0.90386236702844 30.974 36 P 0.89586461588822 0.86668382563835 0.59613763297156 30.974 37 P 0.61159855333323 0.10138540391674 0.80948650155033 30.974 38 P 0.38840144666677 0.60138540391674 0.69051349844967 30.974 39 P 0.38840144666677 0.89861459608326 0.19051349844967 30.974 40 P 0.61159855333323 0.39861459608326 0.30948650155034 30.974 41 Hg 0.65395184907059 0.83264072006085 0.91502452452267 200.590 42 Hg 0.34604815092941 0.33264072006085 0.58497547547733 200.590 43 Hg 0.34604815092941 0.16735927993915 0.08497547547733 200.590 44 Hg 0.65395184907059 0.66735927993915 0.41502452452267 200.590 45 Hg 0.69904672351750 0.10555735515598 0.32878683087304 200.590 46 Hg 0.30095327648250 0.60555735515598 0.17121316912696 200.590 47 Hg 0.30095327648250 0.89444264484402 0.67121316912696 200.590 48 Hg 0.69904672351750 0.39444264484402 0.82878683087304 200.590 49 Hg 0.03926566343251 0.88011857041859 0.17628316570381 200.590 50 Hg 0.96073433656749 0.38011857041859 0.32371683429619 200.590 51 Hg 0.96073433656749 0.11988142958141 0.82371683429619 200.590 52 Hg 0.03926566343251 0.61988142958141 0.67628316570381 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.833519490467527 0.000000000000000 0.000000000000000 b 0.000000000000000 11.512046390000000 0.000000000000000 c -2.146341315598324 0.000000000000000 12.691126130897707 Atomic positions (fractional): 1 O 0.86251393103797 0.55937319749259 0.44878064405127 15.999 > 1 2 O 0.86251393103797 0.55937319749259 0.94878064405127 15.999 > 1 3 O 0.13748606896203 0.05937319749259 0.30121935594873 15.999 > 3 4 O 0.13748606896203 0.05937319749259 0.80121935594873 15.999 > 3 5 O 0.13748606896203 0.44062680250741 0.05121935594873 15.999 > 5 6 O 0.13748606896203 0.44062680250741 0.55121935594872 15.999 > 5 7 O 0.86251393103797 0.94062680250741 0.19878064405128 15.999 > 7 8 O 0.86251393103797 0.94062680250741 0.69878064405128 15.999 > 7 9 O 0.91533956044195 0.56069383742015 0.15226539411976 15.999 > 9 10 O 0.91533956044195 0.56069383742015 0.65226539411976 15.999 > 9 11 O 0.08466043955805 0.06069383742015 0.09773460588024 15.999 > 11 12 O 0.08466043955805 0.06069383742015 0.59773460588024 15.999 > 11 13 O 0.08466043955805 0.43930616257985 0.34773460588024 15.999 > 13 14 O 0.08466043955805 0.43930616257985 0.84773460588024 15.999 > 13 15 O 0.91533956044195 0.93930616257985 0.40226539411976 15.999 > 15 16 O 0.91533956044195 0.93930616257985 0.90226539411976 15.999 > 15 17 O 0.77868581364881 0.72011636464105 0.06439885565907 15.999 > 17 18 O 0.77868581364881 0.72011636464105 0.56439885565907 15.999 > 17 19 O 0.22131418635119 0.22011636464105 0.18560114434093 15.999 > 19 20 O 0.22131418635119 0.22011636464105 0.68560114434093 15.999 > 19 21 O 0.22131418635119 0.27988363535895 0.43560114434093 15.999 > 21 22 O 0.22131418635119 0.27988363535895 0.93560114434093 15.999 > 21 23 O 0.77868581364881 0.77988363535895 0.31439885565907 15.999 > 23 24 O 0.77868581364881 0.77988363535895 0.81439885565907 15.999 > 23 25 O 0.03055449843496 0.70458149051502 0.04110853199048 15.999 > 25 26 O 0.03055449843496 0.70458149051502 0.54110853199048 15.999 > 25 27 O 0.96944550156504 0.20458149051502 0.20889146800952 15.999 > 27 28 O 0.96944550156504 0.20458149051502 0.70889146800952 15.999 > 27 29 O 0.96944550156504 0.29541850948498 0.45889146800952 15.999 > 29 30 O 0.96944550156504 0.29541850948498 0.95889146800952 15.999 > 29 31 O 0.03055449843496 0.79541850948498 0.29110853199048 15.999 > 31 32 O 0.03055449843496 0.79541850948498 0.79110853199048 15.999 > 31 33 O 0.49756475983165 0.19042315166618 0.41041262359663 15.999 > 33 34 O 0.49756475983165 0.19042315166618 0.91041262359663 15.999 > 33 35 O 0.50243524016835 0.69042315166618 0.33958737640337 15.999 > 35 36 O 0.50243524016835 0.69042315166618 0.83958737640337 15.999 > 35 37 O 0.50243524016835 0.80957684833382 0.08958737640337 15.999 > 37 38 O 0.50243524016835 0.80957684833382 0.58958737640337 15.999 > 37 39 O 0.49756475983165 0.30957684833382 0.16041262359663 15.999 > 39 40 O 0.49756475983165 0.30957684833382 0.66041262359663 15.999 > 39 41 O 0.54908783846358 0.52189232985437 0.12713269645954 15.999 > 41 42 O 0.54908783846358 0.52189232985437 0.62713269645954 15.999 > 41 43 O 0.45091216153642 0.02189232985437 0.12286730354046 15.999 > 43 44 O 0.45091216153642 0.02189232985437 0.62286730354046 15.999 > 43 45 O 0.45091216153642 0.47810767014563 0.37286730354046 15.999 > 45 46 O 0.45091216153642 0.47810767014563 0.87286730354046 15.999 > 45 47 O 0.54908783846358 0.97810767014563 0.37713269645954 15.999 > 47 48 O 0.54908783846358 0.97810767014563 0.87713269645954 15.999 > 47 49 O 0.72082184262191 0.40661120129980 0.25776029259123 15.999 > 49 50 O 0.72082184262191 0.40661120129980 0.75776029259123 15.999 > 49 51 O 0.27917815737809 0.90661120129980 0.49223970740877 15.999 > 51 52 O 0.27917815737809 0.90661120129980 0.99223970740877 15.999 > 51 53 O 0.27917815737809 0.59338879870020 0.24223970740877 15.999 > 53 54 O 0.27917815737809 0.59338879870020 0.74223970740877 15.999 > 53 55 O 0.72082184262191 0.09338879870020 0.00776029259123 15.999 > 55 56 O 0.72082184262191 0.09338879870020 0.50776029259123 15.999 > 55 57 O 0.70363564405223 0.35831771384919 0.07286466312615 15.999 > 57 58 O 0.70363564405223 0.35831771384919 0.57286466312615 15.999 > 57 59 O 0.29636435594777 0.85831771384919 0.17713533687385 15.999 > 59 60 O 0.29636435594777 0.85831771384919 0.67713533687385 15.999 > 59 61 O 0.29636435594777 0.64168228615081 0.42713533687385 15.999 > 61 62 O 0.29636435594777 0.64168228615081 0.92713533687385 15.999 > 61 63 O 0.70363564405223 0.14168228615081 0.32286466312615 15.999 > 63 64 O 0.70363564405223 0.14168228615081 0.82286466312615 15.999 > 63 65 P 0.89586461588822 0.63331617436165 0.04806881648578 30.974 > 65 66 P 0.89586461588822 0.63331617436165 0.54806881648578 30.974 > 65 67 P 0.10413538411178 0.13331617436165 0.20193118351422 30.974 > 67 68 P 0.10413538411178 0.13331617436165 0.70193118351422 30.974 > 67 69 P 0.10413538411178 0.36668382563835 0.45193118351422 30.974 > 69 70 P 0.10413538411178 0.36668382563835 0.95193118351422 30.974 > 69 71 P 0.89586461588822 0.86668382563835 0.29806881648578 30.974 > 71 72 P 0.89586461588822 0.86668382563835 0.79806881648578 30.974 > 71 73 P 0.61159855333323 0.10138540391674 0.40474325077517 30.974 > 73 74 P 0.61159855333323 0.10138540391674 0.90474325077517 30.974 > 73 75 P 0.38840144666677 0.60138540391674 0.34525674922483 30.974 > 75 76 P 0.38840144666677 0.60138540391674 0.84525674922483 30.974 > 75 77 P 0.38840144666677 0.89861459608326 0.09525674922483 30.974 > 77 78 P 0.38840144666677 0.89861459608326 0.59525674922483 30.974 > 77 79 P 0.61159855333323 0.39861459608326 0.15474325077517 30.974 > 79 80 P 0.61159855333323 0.39861459608326 0.65474325077517 30.974 > 79 81 Hg 0.65395184907059 0.83264072006085 0.45751226226134 200.590 > 81 82 Hg 0.65395184907059 0.83264072006085 0.95751226226134 200.590 > 81 83 Hg 0.34604815092941 0.33264072006085 0.29248773773866 200.590 > 83 84 Hg 0.34604815092941 0.33264072006085 0.79248773773866 200.590 > 83 85 Hg 0.34604815092941 0.16735927993915 0.04248773773866 200.590 > 85 86 Hg 0.34604815092941 0.16735927993915 0.54248773773866 200.590 > 85 87 Hg 0.65395184907059 0.66735927993915 0.20751226226134 200.590 > 87 88 Hg 0.65395184907059 0.66735927993915 0.70751226226134 200.590 > 87 89 Hg 0.69904672351750 0.10555735515598 0.16439341543652 200.590 > 89 90 Hg 0.69904672351750 0.10555735515598 0.66439341543652 200.590 > 89 91 Hg 0.30095327648250 0.60555735515598 0.08560658456348 200.590 > 91 92 Hg 0.30095327648250 0.60555735515598 0.58560658456348 200.590 > 91 93 Hg 0.30095327648250 0.89444264484402 0.33560658456348 200.590 > 93 94 Hg 0.30095327648250 0.89444264484402 0.83560658456348 200.590 > 93 95 Hg 0.69904672351750 0.39444264484402 0.41439341543652 200.590 > 95 96 Hg 0.69904672351750 0.39444264484402 0.91439341543652 200.590 > 95 97 Hg 0.03926566343251 0.88011857041859 0.08814158285190 200.590 > 97 98 Hg 0.03926566343251 0.88011857041859 0.58814158285190 200.590 > 97 99 Hg 0.96073433656749 0.38011857041859 0.16185841714810 200.590 > 99 100 Hg 0.96073433656749 0.38011857041859 0.66185841714810 200.590 > 99 101 Hg 0.96073433656749 0.11988142958141 0.41185841714810 200.590 > 101 102 Hg 0.96073433656749 0.11988142958141 0.91185841714810 200.590 > 101 103 Hg 0.03926566343251 0.61988142958141 0.33814158285190 200.590 > 103 104 Hg 0.03926566343251 0.61988142958141 0.83814158285190 200.590 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8420187 0.0000000 -0.1146972 0.0000000 4.1570487 0.0000000 -0.1146985 0.0000000 4.2077672 -------------------------- Born effective charges -------------------------- 1 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 2 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 3 O -1.5460568 -0.2662639 0.1842909 -0.4037801 -1.8384613 -0.5858896 0.0713800 -0.5303122 -2.0935284 4 O -1.5460568 0.2662639 0.1842909 0.4037801 -1.8384613 0.5858896 0.0713800 0.5303122 -2.0935284 5 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 6 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 7 O -1.0916889 0.3809315 -0.1456245 0.0978197 -2.2574516 0.9296662 -0.0739851 0.5457056 -2.2740678 8 O -1.0916889 -0.3809315 -0.1456245 -0.0978197 -2.2574516 -0.9296662 -0.0739851 -0.5457056 -2.2740678 9 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 10 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 11 O -2.3413646 0.9849428 0.2106896 0.8749014 -1.8438264 0.0990581 -0.0559761 0.3725903 -1.4910164 12 O -2.3413646 -0.9849428 0.2106896 -0.8749014 -1.8438264 -0.0990581 -0.0559761 -0.3725903 -1.4910164 13 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 14 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 15 O -2.0548928 -0.4535984 0.0575431 -0.8102653 -2.2296574 -0.1093107 0.0383005 -0.3324481 -1.1921414 16 O -2.0548928 0.4535984 0.0575431 0.8102653 -2.2296574 0.1093107 0.0383005 0.3324481 -1.1921414 17 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 18 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 19 O -2.2049249 0.7317049 0.3040540 0.7466010 -2.0894736 0.0515748 0.1253782 0.2517996 -1.3183637 20 O -2.2049249 -0.7317049 0.3040540 -0.7466010 -2.0894736 -0.0515748 0.1253782 -0.2517996 -1.3183637 21 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 22 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 23 O -1.4131536 0.3866939 -0.1396570 0.4300542 -2.7452390 0.0750191 -0.1509484 -0.0588377 -1.0896332 24 O -1.4131536 -0.3866939 -0.1396570 -0.4300542 -2.7452390 -0.0750191 -0.1509484 0.0588377 -1.0896332 25 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 26 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 27 O -1.3709854 -0.0324942 -0.2017158 -0.0315014 -1.1077214 0.0641907 -0.6469622 -0.0529706 -2.8964114 28 O -1.3709854 0.0324942 -0.2017158 0.0315014 -1.1077214 -0.0641907 -0.6469622 0.0529706 -2.8964114 29 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 30 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 31 O -2.0446225 0.2143426 0.7772448 0.1072475 -1.2085173 0.0156117 1.0491886 -0.3214966 -2.5760540 32 O -2.0446225 -0.2143426 0.7772448 -0.1072475 -1.2085173 -0.0156117 1.0491886 0.3214966 -2.5760540 33 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 34 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 35 P 3.4972391 -0.6478851 -0.3138269 0.3401478 3.9662349 -0.4084568 0.1820448 -0.0541582 3.3817202 36 P 3.4972391 0.6478851 -0.3138269 -0.3401478 3.9662349 0.4084568 0.1820448 0.0541582 3.3817202 37 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 38 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 39 P 3.4321663 -0.0984173 -0.5129253 0.0614717 4.0762714 0.4706573 -0.2720798 -0.5985841 3.7059068 40 P 3.4321663 0.0984173 -0.5129253 -0.0614717 4.0762714 -0.4706573 -0.2720798 0.5985841 3.7059068 41 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 42 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 43 Hg 2.5409974 -0.2525523 -0.1300951 -0.3561260 2.4815349 -0.2610300 -0.0636587 -0.1091363 2.4829605 44 Hg 2.5409974 0.2525523 -0.1300951 0.3561260 2.4815349 0.2610300 -0.0636587 0.1091363 2.4829605 45 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 46 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 47 Hg 2.2677815 -0.2261946 0.0123621 -0.2285937 1.9916719 -0.0167128 -0.0086471 0.0987689 3.0149693 48 Hg 2.2677815 0.2261946 0.0123621 0.2285937 1.9916719 0.0167128 -0.0086471 -0.0987689 3.0149693 49 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 50 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 51 Hg 2.3295052 0.2555078 -0.1023397 0.2026051 2.8046352 0.1091356 -0.1940349 0.2019691 2.3456598 52 Hg 2.3295052 -0.2555078 -0.1023397 -0.2026051 2.8046352 -0.1091356 -0.1940349 -0.2019691 2.3456598 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 283, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 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 0.865 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.219 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.467 ( 0.000 0.000 0.000) 0.000 15.479 ( 0.000 0.000 0.000) 0.000 15.579 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.878 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.376 ( 0.000 0.000 0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.191 ( 0.000 0.000 0.000) 0.000 17.235 ( 0.000 0.000 0.000) 0.000 17.379 ( 0.000 0.000 0.000) 0.000 17.453 ( 0.000 0.000 0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 17.868 ( 0.000 0.000 0.000) 0.000 17.871 ( 0.000 0.000 0.000) 0.000 26.425 ( 0.000 0.000 0.000) 0.000 26.546 ( 0.000 0.000 0.000) 0.000 26.627 ( 0.000 0.000 0.000) 0.000 26.752 ( 0.000 0.000 0.000) 0.000 26.773 ( 0.000 0.000 0.000) 0.000 26.778 ( 0.000 0.000 0.000) 0.000 26.854 ( 0.000 0.000 0.000) 0.000 26.989 ( 0.000 0.000 0.000) 0.000 27.095 ( 0.000 0.000 0.000) 0.000 27.346 ( 0.000 0.000 0.000) 0.000 27.369 ( 0.000 0.000 0.000) 0.000 27.455 ( 0.000 0.000 0.000) 0.000 27.613 ( 0.000 0.000 0.000) 0.000 27.617 ( 0.000 0.000 0.000) 0.000 27.710 ( 0.000 0.000 0.000) 0.000 27.725 ( 0.000 0.000 0.000) 0.000 27.942 ( 0.000 0.000 0.000) 0.000 28.007 ( 0.000 0.000 0.000) 0.000 28.050 ( 0.000 0.000 0.000) 0.000 28.210 ( 0.000 0.000 0.000) 0.000 28.544 ( 0.000 0.000 0.000) 0.000 28.664 ( 0.000 0.000 0.000) 0.000 28.907 ( 0.000 0.000 0.000) 0.000 29.454 ( 0.000 0.000 0.000) 0.000 30.490 ( 0.000 0.000 0.000) 0.000 30.685 ( 0.000 0.000 0.000) 0.000 30.763 ( 0.000 0.000 0.000) 0.000 31.416 ( 0.000 0.000 0.000) 0.000 31.452 ( 0.000 0.000 0.000) 0.000 31.621 ( 0.000 0.000 0.000) 0.000 31.747 ( 0.000 0.000 0.000) 0.000 32.210 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.122 ( 8.912 0.000 -1.134) 8.984 0.240 ( 8.384 0.000 9.618) 12.760 0.574 ( 25.996 0.000 1.346) 26.031 0.879 ( 0.438 0.000 -1.130) 1.212 0.954 ( 2.118 0.000 0.104) 2.121 0.989 ( -11.207 0.000 3.475) 11.733 1.009 ( -0.622 0.000 -0.730) 0.959 1.059 ( 1.632 0.000 0.444) 1.691 1.086 ( -1.584 0.000 0.239) 1.602 1.191 ( -0.423 0.000 -0.125) 0.441 1.288 ( -4.140 0.000 3.083) 5.162 1.316 ( 0.590 0.000 1.904) 1.993 1.350 ( -1.761 0.000 -4.916) 5.221 1.371 ( 3.398 0.000 -3.804) 5.100 1.431 ( -2.340 0.000 1.696) 2.890 1.432 ( -2.719 0.000 -5.632) 6.254 1.496 ( -3.298 0.000 -1.563) 3.650 1.571 ( 2.322 0.000 1.398) 2.710 1.610 ( -1.930 0.000 0.252) 1.946 1.666 ( 0.036 0.000 5.255) 5.255 1.702 ( 1.943 0.000 3.169) 3.717 1.778 ( 2.670 0.000 -2.651) 3.763 1.801 ( -0.283 0.000 4.439) 4.448 1.915 ( 0.490 0.000 0.185) 0.524 1.943 ( 1.135 0.000 -1.110) 1.587 1.964 ( -6.737 0.000 2.722) 7.266 2.050 ( 1.598 0.000 -1.077) 1.927 2.193 ( -2.435 0.000 -1.494) 2.857 2.287 ( -7.710 0.000 6.149) 9.862 2.348 ( -0.941 0.000 -0.341) 1.000 2.427 ( 4.470 0.000 -2.303) 5.028 2.447 ( 2.469 0.000 1.161) 2.728 2.565 ( -0.099 0.000 -0.568) 0.577 2.620 ( 5.479 0.000 3.705) 6.614 2.700 ( -1.355 0.000 -1.311) 1.885 2.781 ( 0.451 0.000 3.111) 3.143 2.897 ( 1.580 0.000 -4.844) 5.095 2.935 ( 0.176 0.000 -1.016) 1.031 2.995 ( 2.864 0.000 1.415) 3.194 3.120 ( 3.357 0.000 1.851) 3.833 3.240 ( -2.304 0.000 0.517) 2.362 3.252 ( -0.845 0.000 6.740) 6.793 3.361 ( -0.112 0.000 -0.057) 0.125 3.437 ( -3.002 0.000 -1.218) 3.239 3.704 ( 7.160 0.000 4.294) 8.349 3.748 ( -1.988 0.000 -1.487) 2.482 4.029 ( 6.699 0.000 -1.081) 6.786 4.034 ( -2.288 0.000 1.762) 2.888 4.140 ( -4.374 0.000 3.540) 5.627 4.177 ( 2.610 0.000 0.439) 2.646 4.424 ( -0.126 0.000 1.066) 1.073 4.447 ( 2.154 0.000 4.451) 4.945 4.485 ( 3.039 0.000 -1.721) 3.492 4.496 ( 6.044 0.000 -0.979) 6.123 4.665 ( -5.766 0.000 3.855) 6.936 4.719 ( 3.337 0.000 -2.294) 4.050 4.807 ( 1.690 0.000 3.023) 3.463 4.847 ( -0.875 0.000 -0.599) 1.061 4.908 ( 0.232 0.000 -0.014) 0.232 5.101 ( 6.173 0.000 -1.010) 6.255 5.266 ( -1.278 0.000 -3.047) 3.304 5.353 ( -5.358 0.000 0.658) 5.398 5.385 ( -3.819 0.000 4.868) 6.187 5.489 ( -3.237 0.000 -4.415) 5.474 5.506 ( -4.934 0.000 4.649) 6.779 5.828 ( -1.191 0.000 -2.122) 2.434 5.895 ( 7.682 0.000 -43.289) 43.965 6.034 ( -0.682 0.000 1.186) 1.368 6.653 ( -1.998 0.000 -1.348) 2.411 6.846 ( -0.746 0.000 -0.511) 0.904 7.131 ( 1.773 0.000 3.085) 3.558 7.710 ( -2.250 0.000 0.265) 2.266 7.776 ( 0.082 0.000 -3.081) 3.082 7.800 ( 0.049 0.000 1.487) 1.488 8.081 ( 1.576 0.000 0.005) 1.576 8.090 ( -1.898 0.000 7.007) 7.259 8.916 ( 0.370 0.000 0.202) 0.422 9.346 ( -0.777 0.000 -0.250) 0.816 9.965 ( 0.223 0.000 0.046) 0.227 9.978 ( -0.103 0.000 0.269) 0.288 10.417 ( -1.046 0.000 1.374) 1.727 10.463 ( 1.215 0.000 -0.890) 1.506 10.757 ( -1.213 0.000 1.402) 1.854 10.782 ( -0.503 0.000 -1.270) 1.365 11.152 ( 1.345 0.000 -8.101) 8.212 11.206 ( -2.367 0.000 7.097) 7.481 11.414 ( -5.223 0.000 -0.290) 5.231 11.538 ( -0.186 0.000 0.459) 0.495 11.631 ( -0.289 0.000 2.325) 2.343 11.660 ( 1.002 0.000 0.799) 1.281 11.952 ( 0.236 0.000 -0.414) 0.477 12.257 ( 2.576 0.000 0.412) 2.609 12.332 ( 2.381 0.000 -0.507) 2.434 12.772 ( -2.668 0.000 1.706) 3.166 13.074 ( 1.094 0.000 0.457) 1.185 13.159 ( -1.614 0.000 -1.163) 1.989 13.231 ( -1.056 0.000 -0.224) 1.079 13.290 ( 1.059 0.000 0.133) 1.067 13.584 ( 0.214 0.000 0.290) 0.360 13.612 ( -0.677 0.000 0.208) 0.708 14.769 ( 0.797 0.000 1.393) 1.604 14.838 ( 0.078 0.000 -1.084) 1.086 14.897 ( -0.773 0.000 -1.556) 1.738 14.978 ( 1.186 0.000 -0.526) 1.297 15.156 ( -1.054 0.000 0.092) 1.058 15.158 ( -2.287 0.000 -0.761) 2.411 15.263 ( 0.939 0.000 0.548) 1.088 15.489 ( 0.760 0.000 0.765) 1.078 15.518 ( 2.760 0.000 -2.482) 3.712 15.579 ( 0.033 0.000 -0.060) 0.068 15.676 ( -0.517 0.000 -0.107) 0.528 15.772 ( -0.988 0.000 -0.248) 1.018 15.874 ( -0.004 0.000 -0.818) 0.818 15.894 ( 0.822 0.000 0.730) 1.099 16.141 ( -0.351 0.000 4.132) 4.146 16.374 ( -0.192 0.000 0.387) 0.432 17.155 ( 2.619 0.000 -19.124) 19.302 17.178 ( -0.364 0.000 -2.396) 2.424 17.238 ( -0.424 0.000 2.252) 2.292 17.405 ( 2.184 0.000 0.067) 2.185 17.552 ( -1.614 0.000 4.968) 5.224 17.701 ( -0.022 0.000 -0.928) 0.929 17.869 ( 0.041 0.000 -0.099) 0.107 17.910 ( 2.901 0.000 1.096) 3.102 26.431 ( 0.497 0.000 0.105) 0.508 26.547 ( 0.266 0.000 -1.183) 1.212 26.641 ( 1.316 0.000 -0.106) 1.320 26.771 ( -0.271 0.000 -0.193) 0.333 26.777 ( 0.111 0.000 0.075) 0.134 26.791 ( -0.828 0.000 -0.975) 1.280 26.837 ( -1.455 0.000 -0.171) 1.465 27.005 ( 1.473 0.000 -1.060) 1.815 27.072 ( -2.037 0.000 -0.307) 2.060 27.347 ( 0.562 0.000 -3.392) 3.439 27.380 ( 0.974 0.000 -0.161) 0.987 27.450 ( -0.706 0.000 1.830) 1.962 27.593 ( -1.374 0.000 -2.278) 2.660 27.695 ( 0.407 0.000 -0.779) 0.879 27.711 ( -0.249 0.000 2.714) 2.726 27.745 ( 1.082 0.000 1.546) 1.887 27.949 ( 0.591 0.000 -1.182) 1.321 28.043 ( 3.822 0.000 -1.263) 4.025 28.220 ( 0.962 0.000 -0.706) 1.193 28.507 ( -3.055 0.000 -2.810) 4.151 28.656 ( -0.539 0.000 -1.160) 1.279 28.910 ( 0.099 0.000 1.038) 1.043 29.219 ( 6.650 0.000 -10.515) 12.441 30.124 ( -11.462 0.000 37.575) 39.284 30.490 ( -0.101 0.000 1.400) 1.404 30.746 ( -1.380 0.000 -0.332) 1.419 30.762 ( 5.753 0.000 4.360) 7.219 31.470 ( 1.370 0.000 1.874) 2.321 31.581 ( 1.608 0.000 -29.832) 29.876 31.609 ( -0.741 0.000 -2.666) 2.767 31.742 ( 0.426 0.000 -4.075) 4.098 32.251 ( -4.161 0.000 7.123) 8.249 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 12.729 0.000 -1.044) 12.772 0.382 ( 2.811 0.000 4.570) 5.365 0.691 ( -14.139 0.000 0.802) 14.162 0.847 ( -1.848 0.000 -1.861) 2.622 0.972 ( 3.773 0.000 2.049) 4.293 1.008 ( 2.151 0.000 0.535) 2.216 1.024 ( 1.486 0.000 -0.595) 1.601 1.107 ( 2.447 0.000 2.798) 3.717 1.127 ( 9.287 0.000 0.777) 9.320 1.198 ( -1.164 0.000 -3.854) 4.026 1.224 ( 0.428 0.000 -0.006) 0.428 1.262 ( 0.023 0.000 -1.926) 1.926 1.335 ( -1.962 0.000 1.674) 2.579 1.366 ( -5.526 0.000 3.365) 6.470 1.387 ( -0.768 0.000 -2.757) 2.862 1.434 ( 3.098 0.000 -3.671) 4.804 1.444 ( 0.213 0.000 -2.148) 2.158 1.541 ( -3.832 0.000 1.771) 4.221 1.601 ( -3.728 0.000 1.127) 3.895 1.666 ( -1.859 0.000 0.833) 2.037 1.708 ( 2.211 0.000 1.850) 2.883 1.797 ( 3.648 0.000 0.690) 3.713 1.872 ( -2.540 0.000 1.439) 2.920 1.904 ( 3.950 0.000 -0.013) 3.950 1.941 ( 0.419 0.000 0.400) 0.579 1.963 ( -0.669 0.000 -0.285) 0.727 2.097 ( 3.293 0.000 -3.142) 4.551 2.133 ( -1.989 0.000 -0.953) 2.205 2.153 ( -3.303 0.000 4.734) 5.772 2.265 ( -6.906 0.000 -0.623) 6.934 2.450 ( 1.216 0.000 0.440) 1.293 2.485 ( -0.837 0.000 -0.641) 1.054 2.580 ( 1.191 0.000 -0.257) 1.218 2.695 ( 1.592 0.000 0.499) 1.669 2.768 ( 4.847 0.000 1.259) 5.008 2.793 ( 0.165 0.000 0.875) 0.890 2.913 ( -1.556 0.000 0.207) 1.570 2.923 ( 1.468 0.000 -2.190) 2.636 3.016 ( -0.755 0.000 -1.870) 2.017 3.187 ( 2.158 0.000 -0.047) 2.159 3.250 ( 2.657 0.000 2.742) 3.818 3.255 ( -0.356 0.000 2.412) 2.438 3.355 ( -0.300 0.000 -0.186) 0.353 3.363 ( -3.567 0.000 -1.752) 3.974 3.720 ( -0.434 0.000 -0.908) 1.006 3.838 ( 3.391 0.000 2.389) 4.149 3.996 ( -1.427 0.000 1.108) 1.807 4.073 ( -2.148 0.000 -0.086) 2.149 4.122 ( 2.682 0.000 -0.668) 2.764 4.243 ( 2.306 0.000 0.297) 2.325 4.435 ( 0.579 0.000 0.733) 0.934 4.504 ( 3.938 0.000 -4.823) 6.226 4.542 ( 2.091 0.000 -1.201) 2.411 4.573 ( -4.757 0.000 6.028) 7.679 4.621 ( 3.903 0.000 2.392) 4.577 4.810 ( 5.033 0.000 -3.289) 6.012 4.832 ( 0.157 0.000 0.523) 0.546 4.875 ( 3.359 0.000 1.266) 3.589 4.905 ( -0.190 0.000 -2.142) 2.151 5.165 ( -2.800 0.000 -0.504) 2.845 5.225 ( -5.964 0.000 1.289) 6.101 5.231 ( 3.047 0.000 -0.558) 3.098 5.337 ( -3.528 0.000 2.185) 4.150 5.400 ( -5.000 0.000 2.809) 5.735 5.416 ( -0.893 0.000 -3.073) 3.200 5.802 ( -0.502 0.000 -1.140) 1.245 5.896 ( 1.387 0.000 -9.363) 9.465 6.026 ( -0.291 0.000 0.619) 0.684 6.612 ( -1.114 0.000 -0.821) 1.383 6.832 ( -0.199 0.000 -1.069) 1.088 7.178 ( 1.336 0.000 1.899) 2.321 7.663 ( -1.761 0.000 0.044) 1.762 7.772 ( 0.133 0.000 -1.216) 1.223 7.803 ( 0.001 0.000 0.366) 0.366 8.078 ( -0.641 0.000 1.550) 1.678 8.111 ( 0.983 0.000 -0.092) 0.988 8.925 ( 0.312 0.000 0.111) 0.331 9.331 ( -0.474 0.000 -0.167) 0.503 9.968 ( 0.066 0.000 0.032) 0.074 9.977 ( -0.053 0.000 0.167) 0.175 10.406 ( -0.391 0.000 0.545) 0.671 10.480 ( 0.504 0.000 -0.305) 0.590 10.744 ( -0.404 0.000 1.111) 1.182 10.761 ( -0.860 0.000 -1.005) 1.323 11.156 ( 1.976 0.000 -9.285) 9.493 11.180 ( -2.641 0.000 9.000) 9.380 11.323 ( -2.672 0.000 -0.140) 2.676 11.534 ( -0.217 0.000 0.180) 0.282 11.636 ( 0.111 0.000 0.710) 0.719 11.677 ( 0.500 0.000 -0.128) 0.516 11.954 ( 0.056 0.000 -0.221) 0.228 12.315 ( 2.108 0.000 0.314) 2.131 12.372 ( 1.249 0.000 -0.289) 1.282 12.719 ( -2.070 0.000 0.243) 2.084 13.098 ( 0.780 0.000 0.235) 0.814 13.127 ( -0.888 0.000 -0.643) 1.096 13.213 ( -0.598 0.000 0.086) 0.605 13.307 ( 0.556 0.000 -0.146) 0.575 13.588 ( 0.069 0.000 0.246) 0.255 13.599 ( -0.469 0.000 0.167) 0.497 14.792 ( 0.740 0.000 1.496) 1.669 14.833 ( -0.151 0.000 -1.300) 1.309 14.883 ( -0.269 0.000 -0.197) 0.334 14.993 ( 0.405 0.000 -0.195) 0.450 15.118 ( -1.095 0.000 -0.342) 1.147 15.136 ( -0.686 0.000 0.058) 0.689 15.276 ( 0.244 0.000 0.202) 0.316 15.507 ( 0.490 0.000 0.535) 0.726 15.571 ( 2.402 0.000 -0.916) 2.571 15.580 ( -0.000 0.000 -0.038) 0.038 15.658 ( -1.086 0.000 0.272) 1.119 15.751 ( -0.701 0.000 -0.295) 0.760 15.872 ( -0.013 0.000 -0.231) 0.232 15.911 ( 0.534 0.000 0.179) 0.563 16.147 ( 0.047 0.000 0.892) 0.893 16.371 ( -0.170 0.000 0.237) 0.292 17.145 ( 0.474 0.000 -4.434) 4.460 17.170 ( 0.155 0.000 -1.353) 1.362 17.231 ( -0.633 0.000 1.236) 1.389 17.451 ( 1.785 0.000 0.073) 1.786 17.532 ( -1.213 0.000 1.146) 1.668 17.703 ( 0.230 0.000 -0.376) 0.440 17.869 ( 0.022 0.000 -0.060) 0.064 17.964 ( 1.546 0.000 0.509) 1.627 26.441 ( 0.339 0.000 0.102) 0.354 26.548 ( 0.152 0.000 -0.798) 0.812 26.671 ( 1.273 0.000 -0.097) 1.277 26.764 ( -0.249 0.000 0.136) 0.284 26.770 ( -0.833 0.000 -0.064) 0.835 26.783 ( 0.354 0.000 -0.233) 0.424 26.807 ( -0.986 0.000 -0.191) 1.005 27.028 ( -1.547 0.000 -0.092) 1.550 27.028 ( 0.805 0.000 -0.482) 0.938 27.346 ( 0.181 0.000 -1.480) 1.491 27.400 ( 0.709 0.000 -0.054) 0.711 27.443 ( -0.413 0.000 1.214) 1.283 27.564 ( -0.635 0.000 -1.152) 1.315 27.699 ( -0.047 0.000 0.998) 0.999 27.715 ( -0.117 0.000 1.456) 1.461 27.765 ( 0.342 0.000 0.817) 0.885 27.953 ( 0.155 0.000 -0.502) 0.525 28.134 ( 4.163 0.000 -0.286) 4.173 28.236 ( 0.596 0.000 -0.425) 0.732 28.420 ( -3.558 0.000 -2.027) 4.095 28.642 ( -0.348 0.000 -0.668) 0.753 28.916 ( 0.111 0.000 0.597) 0.607 29.320 ( 3.893 0.000 -1.924) 4.342 30.027 ( -4.716 0.000 8.642) 9.845 30.496 ( 0.129 0.000 0.942) 0.950 30.717 ( -1.007 0.000 -0.295) 1.049 30.891 ( 4.074 0.000 2.599) 4.832 31.499 ( -2.079 0.000 -7.263) 7.555 31.514 ( 1.788 0.000 2.908) 3.414 31.574 ( -1.426 0.000 -3.383) 3.671 31.742 ( 0.574 0.000 -2.517) 2.582 32.194 ( -2.230 0.000 2.065) 3.039 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.000 13.219 0.000) 13.219 0.337 ( 0.000 14.853 0.000) 14.853 0.587 ( 0.000 21.916 0.000) 21.916 0.844 ( 0.000 -6.082 0.000) 6.082 0.876 ( 0.000 -2.238 0.000) 2.238 0.964 ( 0.000 2.508 0.000) 2.508 1.043 ( 0.000 -4.558 0.000) 4.558 1.081 ( 0.000 -1.450 0.000) 1.450 1.082 ( 0.000 0.001 0.000) 0.001 1.194 ( 0.000 -2.402 0.000) 2.402 1.218 ( 0.000 -6.985 0.000) 6.985 1.294 ( 0.000 -1.312 0.000) 1.312 1.300 ( 0.000 0.158 0.000) 0.158 1.435 ( 0.000 -5.225 0.000) 5.225 1.443 ( 0.000 -3.834 0.000) 3.834 1.465 ( 0.000 1.438 0.000) 1.438 1.481 ( 0.000 3.243 0.000) 3.243 1.554 ( 0.000 1.964 0.000) 1.964 1.605 ( 0.000 -2.864 0.000) 2.864 1.657 ( 0.000 -0.082 0.000) 0.082 1.680 ( 0.000 0.805 0.000) 0.805 1.748 ( 0.000 -0.496 0.000) 0.496 1.801 ( 0.000 -1.586 0.000) 1.586 1.903 ( 0.000 1.250 0.000) 1.250 1.903 ( 0.000 -3.459 0.000) 3.459 1.978 ( 0.000 -14.153 0.000) 14.153 2.026 ( 0.000 3.370 0.000) 3.370 2.140 ( 0.000 -2.675 0.000) 2.675 2.181 ( 0.000 -3.041 0.000) 3.041 2.266 ( 0.000 -5.489 0.000) 5.489 2.434 ( 0.000 3.922 0.000) 3.922 2.461 ( 0.000 -0.044 0.000) 0.044 2.488 ( 0.000 4.495 0.000) 4.495 2.626 ( 0.000 6.273 0.000) 6.273 2.835 ( 0.000 4.673 0.000) 4.673 2.875 ( 0.000 -5.246 0.000) 5.246 2.901 ( 0.000 5.075 0.000) 5.075 2.980 ( 0.000 7.456 0.000) 7.456 3.077 ( 0.000 -1.067 0.000) 1.067 3.141 ( 0.000 0.431 0.000) 0.431 3.245 ( 0.000 -6.844 0.000) 6.844 3.307 ( 0.000 -1.323 0.000) 1.323 3.373 ( 0.000 2.757 0.000) 2.757 3.497 ( 0.000 0.483 0.000) 0.483 3.558 ( 0.000 6.262 0.000) 6.262 3.671 ( 0.000 4.048 0.000) 4.048 3.939 ( 0.000 -4.127 0.000) 4.127 4.018 ( 0.000 8.023 0.000) 8.023 4.265 ( 0.000 0.600 0.000) 0.600 4.270 ( 0.000 -12.709 0.000) 12.709 4.290 ( 0.000 3.081 0.000) 3.081 4.328 ( 0.000 -1.265 0.000) 1.265 4.411 ( 0.000 -4.373 0.000) 4.373 4.531 ( 0.000 -0.653 0.000) 0.653 4.561 ( 0.000 7.497 0.000) 7.497 4.587 ( 0.000 -6.043 0.000) 6.043 4.683 ( 0.000 -4.739 0.000) 4.739 4.837 ( 0.000 -2.378 0.000) 2.378 4.959 ( 0.000 2.084 0.000) 2.084 4.972 ( 0.000 7.238 0.000) 7.238 5.016 ( 0.000 -0.384 0.000) 0.384 5.188 ( 0.000 -4.681 0.000) 4.681 5.448 ( 0.000 -0.001 0.000) 0.001 5.479 ( 0.000 -3.906 0.000) 3.906 5.579 ( 0.000 4.034 0.000) 4.034 5.601 ( 0.000 5.201 0.000) 5.201 5.789 ( 0.000 -4.956 0.000) 4.956 5.969 ( 0.000 -7.017 0.000) 7.017 6.809 ( 0.000 1.844 0.000) 1.844 6.877 ( 0.000 0.575 0.000) 0.575 7.218 ( 0.000 9.965 0.000) 9.965 7.724 ( 0.000 -7.172 0.000) 7.172 7.739 ( 0.000 1.351 0.000) 1.351 7.897 ( 0.000 -5.360 0.000) 5.360 7.916 ( 0.000 6.826 0.000) 6.826 8.163 ( 0.000 0.725 0.000) 0.725 9.021 ( 0.000 12.382 0.000) 12.382 9.501 ( 0.000 11.700 0.000) 11.700 9.807 ( 0.000 -14.659 0.000) 14.659 10.051 ( 0.000 -8.912 0.000) 8.912 10.442 ( 0.000 0.958 0.000) 0.958 10.464 ( 0.000 1.574 0.000) 1.574 10.750 ( 0.000 -2.418 0.000) 2.418 10.778 ( 0.000 -1.531 0.000) 1.531 11.147 ( 0.000 2.502 0.000) 2.502 11.320 ( 0.000 4.020 0.000) 4.020 11.503 ( 0.000 1.496 0.000) 1.496 11.552 ( 0.000 -1.049 0.000) 1.049 11.582 ( 0.000 -2.467 0.000) 2.467 11.623 ( 0.000 -0.484 0.000) 0.484 11.888 ( 0.000 -0.645 0.000) 0.645 12.243 ( 0.000 -6.155 0.000) 6.155 12.445 ( 0.000 12.123 0.000) 12.123 12.739 ( 0.000 -1.874 0.000) 1.874 13.030 ( 0.000 -1.892 0.000) 1.892 13.123 ( 0.000 -4.471 0.000) 4.471 13.248 ( 0.000 0.401 0.000) 0.401 13.282 ( 0.000 -0.383 0.000) 0.383 13.610 ( 0.000 2.107 0.000) 2.107 13.635 ( 0.000 0.513 0.000) 0.513 14.857 ( 0.000 1.279 0.000) 1.279 14.867 ( 0.000 -0.379 0.000) 0.379 14.899 ( 0.000 -0.379 0.000) 0.379 14.947 ( 0.000 -1.061 0.000) 1.061 15.141 ( 0.000 -1.290 0.000) 1.290 15.168 ( 0.000 -1.905 0.000) 1.905 15.404 ( 0.000 3.885 0.000) 3.885 15.465 ( 0.000 -0.294 0.000) 0.294 15.508 ( 0.000 3.601 0.000) 3.601 15.684 ( 0.000 0.128 0.000) 0.128 15.763 ( 0.000 -0.967 0.000) 0.967 15.821 ( 0.000 1.987 0.000) 1.987 15.854 ( 0.000 -2.675 0.000) 2.675 15.970 ( 0.000 -7.213 0.000) 7.213 15.988 ( 0.000 4.161 0.000) 4.161 16.270 ( 0.000 -7.525 0.000) 7.525 17.009 ( 0.000 6.134 0.000) 6.134 17.178 ( 0.000 -1.379 0.000) 1.379 17.270 ( 0.000 2.404 0.000) 2.404 17.354 ( 0.000 -1.982 0.000) 1.982 17.480 ( 0.000 3.407 0.000) 3.407 17.766 ( 0.000 -6.618 0.000) 6.618 17.780 ( 0.000 5.643 0.000) 5.643 17.947 ( 0.000 0.059 0.000) 0.059 26.455 ( 0.000 1.785 0.000) 1.785 26.537 ( 0.000 -0.977 0.000) 0.977 26.645 ( 0.000 1.532 0.000) 1.532 26.719 ( 0.000 -1.756 0.000) 1.756 26.801 ( 0.000 1.368 0.000) 1.368 26.808 ( 0.000 1.870 0.000) 1.870 26.852 ( 0.000 -0.080 0.000) 0.080 26.957 ( 0.000 -2.733 0.000) 2.733 27.363 ( 0.000 1.433 0.000) 1.433 27.386 ( 0.000 1.573 0.000) 1.573 27.438 ( 0.000 -1.430 0.000) 1.430 27.492 ( 0.000 -1.651 0.000) 1.651 27.601 ( 0.000 -0.824 0.000) 0.824 27.619 ( 0.000 -2.983 0.000) 2.983 27.755 ( 0.000 2.389 0.000) 2.389 27.872 ( 0.000 -2.821 0.000) 2.821 27.987 ( 0.000 0.504 0.000) 0.504 28.031 ( 0.000 -1.371 0.000) 1.371 28.204 ( 0.000 12.229 0.000) 12.229 28.256 ( 0.000 3.839 0.000) 3.839 28.495 ( 0.000 -4.033 0.000) 4.033 28.782 ( 0.000 -10.252 0.000) 10.252 29.472 ( 0.000 1.516 0.000) 1.516 29.482 ( 0.000 1.635 0.000) 1.635 30.682 ( 0.000 -0.027 0.000) 0.027 30.737 ( 0.000 -2.001 0.000) 2.001 31.201 ( 0.000 -0.079 0.000) 0.079 31.283 ( 0.000 -4.908 0.000) 4.908 31.641 ( 0.000 9.408 0.000) 9.408 31.791 ( 0.000 3.016 0.000) 3.016 32.113 ( 0.000 -2.238 0.000) 2.238 32.171 ( 0.000 -3.352 0.000) 3.352 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 3.292 12.952 -1.704) 13.472 0.375 ( 8.739 9.140 2.530) 12.896 0.771 ( 7.960 8.065 0.294) 11.335 0.867 ( 2.364 -5.684 -1.047) 6.244 0.895 ( 1.043 -0.501 0.663) 1.333 0.966 ( -0.390 1.287 -0.900) 1.619 0.984 ( -5.928 -0.712 -3.328) 6.836 1.038 ( -0.202 0.473 3.409) 3.448 1.095 ( 1.359 0.237 0.127) 1.386 1.172 ( 0.774 -1.335 1.137) 1.917 1.235 ( -1.735 -6.866 -2.529) 7.520 1.302 ( 2.845 -1.003 -1.599) 3.414 1.344 ( 2.969 -3.185 -4.124) 5.997 1.366 ( -5.391 2.806 3.746) 7.139 1.417 ( -1.522 1.160 0.038) 1.914 1.450 ( -0.317 -1.338 0.534) 1.475 1.504 ( -1.423 4.559 -1.097) 4.901 1.578 ( 1.747 -0.948 1.530) 2.508 1.618 ( 0.736 -1.254 0.820) 1.669 1.631 ( -1.286 -2.457 0.065) 2.774 1.683 ( 0.732 -1.234 -0.595) 1.553 1.738 ( -1.248 -2.508 1.584) 3.219 1.794 ( -0.901 -2.074 1.213) 2.566 1.909 ( 0.748 2.895 -2.097) 3.652 1.925 ( 1.697 -2.701 1.617) 3.576 1.965 ( -2.566 -0.712 2.733) 3.816 2.077 ( 4.093 -11.537 0.616) 12.257 2.093 ( -1.844 -1.037 3.173) 3.813 2.164 ( -2.480 -3.282 -0.724) 4.177 2.244 ( -2.278 -5.320 0.555) 5.814 2.429 ( -0.738 2.173 0.330) 2.319 2.462 ( -0.575 0.632 0.884) 1.229 2.500 ( 1.012 2.389 0.116) 2.597 2.642 ( 0.896 4.915 0.294) 5.005 2.818 ( -0.883 1.936 -0.574) 2.204 2.865 ( 1.336 4.032 0.139) 4.250 2.920 ( 1.301 -1.780 -1.210) 2.515 2.989 ( 2.889 6.627 -0.679) 7.261 3.041 ( -3.457 -1.840 -0.337) 3.930 3.152 ( 1.257 1.754 -1.018) 2.387 3.210 ( -0.831 -0.769 -1.389) 1.792 3.284 ( -2.201 2.411 8.421) 9.032 3.358 ( 0.861 0.036 0.411) 0.955 3.465 ( -3.470 1.149 0.158) 3.658 3.735 ( 2.986 1.878 1.849) 3.983 3.769 ( 6.160 3.912 2.341) 7.664 3.923 ( 3.739 -5.006 -1.717) 6.480 4.043 ( 0.768 3.535 1.706) 3.999 4.197 ( -4.298 -1.511 1.417) 4.771 4.249 ( -1.084 3.915 0.855) 4.151 4.282 ( 1.902 -8.873 -2.739) 9.479 4.363 ( 3.281 -3.467 0.614) 4.812 4.472 ( 4.419 -0.878 1.318) 4.695 4.572 ( 1.335 3.358 3.051) 4.730 4.587 ( 1.910 -4.095 -1.021) 4.633 4.658 ( 1.307 -1.920 -4.123) 4.732 4.836 ( 3.438 -1.527 3.592) 5.201 4.920 ( 5.471 -3.164 -4.287) 7.637 4.949 ( -0.266 2.232 0.795) 2.384 5.024 ( 9.332 -5.806 -5.232) 12.173 5.124 ( 7.625 -6.101 -4.185) 10.624 5.192 ( 0.749 -3.452 -1.540) 3.854 5.387 ( -7.317 -0.613 3.921) 8.324 5.408 ( -4.593 1.403 0.915) 4.889 5.547 ( -4.447 2.365 2.869) 5.797 5.629 ( 4.101 -6.023 -5.212) 8.958 5.830 ( 3.917 -0.633 -3.692) 5.420 6.000 ( 2.182 -5.122 0.023) 5.568 6.811 ( -1.647 1.198 -0.434) 2.082 6.822 ( -2.292 5.955 -1.231) 6.498 7.208 ( -0.469 8.240 2.118) 8.521 7.675 ( -4.552 -1.901 0.352) 4.945 7.737 ( 0.598 -4.694 -0.152) 4.735 7.898 ( -0.459 -1.306 1.175) 1.816 7.917 ( -0.255 -0.581 0.079) 0.639 8.166 ( 0.271 0.382 -0.304) 0.559 9.029 ( 0.683 12.045 -0.466) 12.074 9.499 ( -0.087 12.231 0.141) 12.232 9.772 ( -2.029 -13.946 -2.042) 14.240 10.017 ( -1.722 -5.162 0.445) 5.459 10.437 ( -0.421 1.598 0.717) 1.801 10.468 ( 0.355 0.710 -0.365) 0.873 10.744 ( -0.730 -1.700 -0.118) 1.854 10.767 ( -0.225 -1.084 -0.998) 1.491 11.155 ( 1.163 1.927 -2.821) 3.609 11.289 ( -2.887 4.277 2.833) 5.887 11.459 ( -4.009 3.146 0.870) 5.169 11.542 ( -0.611 -0.307 -0.189) 0.709 11.597 ( 1.048 -2.676 -0.453) 2.910 11.632 ( 0.712 -1.486 1.265) 2.078 11.892 ( 0.557 -0.558 -0.461) 0.914 12.239 ( -0.170 -6.615 0.535) 6.639 12.422 ( -1.133 9.195 -0.905) 9.308 12.725 ( -2.062 -3.514 0.768) 4.146 13.051 ( 1.676 -0.546 -0.238) 1.779 13.153 ( 1.498 -1.565 1.094) 2.427 13.242 ( 0.346 0.445 -1.417) 1.525 13.287 ( 0.673 -0.463 -0.181) 0.837 13.593 ( -1.398 1.198 0.663) 1.956 13.624 ( -1.081 0.425 0.408) 1.231 14.833 ( -1.015 1.993 0.098) 2.239 14.881 ( 0.500 2.246 0.432) 2.341 14.888 ( -0.624 -0.625 -0.449) 0.991 14.959 ( 0.761 -1.548 -0.357) 1.761 15.084 ( -3.266 -1.334 -1.450) 3.815 15.140 ( -2.222 -2.121 -0.727) 3.157 15.413 ( 0.830 6.031 0.739) 6.133 15.498 ( 2.508 -0.834 0.302) 2.661 15.521 ( 1.017 3.831 0.155) 3.966 15.663 ( -4.244 3.285 -2.232) 5.813 15.677 ( -1.396 0.578 0.236) 1.529 15.787 ( -1.170 1.749 0.099) 2.107 15.856 ( 0.238 -2.113 -0.272) 2.144 15.950 ( 0.599 2.861 0.194) 2.930 16.030 ( -0.022 -6.598 2.957) 7.231 16.270 ( -0.073 -7.471 0.309) 7.478 17.112 ( 2.878 0.369 -5.064) 5.836 17.215 ( 4.188 -0.846 1.233) 4.447 17.281 ( 1.347 2.019 -2.457) 3.454 17.347 ( 0.151 -2.727 -1.284) 3.018 17.481 ( -0.506 1.912 2.089) 2.877 17.765 ( 1.150 -2.714 -1.658) 3.381 17.816 ( 1.142 3.225 1.701) 3.821 17.981 ( 2.474 0.965 1.127) 2.885 26.459 ( 0.410 2.024 0.076) 2.066 26.541 ( 0.368 -0.881 -0.609) 1.133 26.650 ( 0.952 1.265 -0.268) 1.605 26.724 ( 0.160 -2.164 -0.592) 2.249 26.787 ( -1.457 0.968 0.335) 1.781 26.813 ( 0.180 1.143 0.052) 1.159 26.840 ( -0.468 0.787 -0.482) 1.034 26.966 ( 0.538 -2.767 -0.247) 2.830 27.269 ( -8.463 6.410 -0.702) 10.639 27.355 ( -0.767 0.541 -5.353) 5.434 27.406 ( -0.587 1.475 3.531) 3.871 27.465 ( -0.891 0.354 0.358) 1.023 27.574 ( -1.071 -0.160 -0.267) 1.116 27.647 ( 1.454 -2.387 -0.624) 2.863 27.744 ( -0.564 1.084 -0.528) 1.331 27.758 ( -2.243 1.640 1.279) 3.059 28.013 ( 3.383 2.366 -1.886) 4.539 28.135 ( 1.981 7.573 1.582) 7.986 28.239 ( 1.522 1.609 -2.770) 3.546 28.378 ( 7.059 -11.055 3.128) 13.484 28.462 ( -2.536 -3.614 -2.922) 5.294 28.728 ( -2.787 -9.370 -4.061) 10.585 29.432 ( 3.154 8.788 0.362) 9.344 29.754 ( 9.649 -11.106 17.080) 22.543 30.641 ( -3.995 1.171 -1.591) 4.456 30.719 ( -1.594 -2.230 -0.911) 2.888 31.097 ( -5.814 12.095 7.199) 15.229 31.316 ( 2.670 -6.222 -3.955) 7.841 31.603 ( -2.705 5.655 -3.256) 7.064 31.768 ( -3.524 2.512 -1.028) 4.448 31.883 ( -5.575 9.126 -12.559) 16.496 32.188 ( -3.072 -5.234 4.700) 7.675 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 10.264 9.571 -3.846) 14.551 0.589 ( 7.473 7.779 8.538) 13.757 0.708 ( -9.087 0.902 -1.919) 9.331 0.798 ( -7.500 3.347 -2.050) 8.465 0.908 ( 1.312 -6.148 -0.417) 6.300 0.923 ( 1.915 -6.088 -0.810) 6.433 1.002 ( 0.338 -4.587 1.053) 4.718 1.074 ( 1.217 0.311 -1.801) 2.196 1.124 ( -4.295 -3.825 -1.994) 6.088 1.176 ( 4.318 0.059 0.279) 4.327 1.271 ( -2.079 3.325 0.463) 3.949 1.284 ( 3.602 2.564 1.034) 4.541 1.354 ( -0.222 2.149 2.137) 3.038 1.376 ( 2.973 -1.693 -1.902) 3.914 1.414 ( 0.323 1.239 -2.996) 3.258 1.436 ( -1.150 2.137 1.746) 2.990 1.470 ( 0.821 3.082 -2.704) 4.182 1.549 ( -2.332 -0.773 4.395) 5.035 1.611 ( -1.130 1.715 -0.683) 2.164 1.669 ( 0.603 -2.429 -0.300) 2.521 1.691 ( -1.857 -0.195 0.189) 1.877 1.722 ( 2.023 -4.471 1.496) 5.131 1.787 ( -0.469 -5.911 0.257) 5.935 1.899 ( -0.405 -0.090 1.692) 1.742 1.926 ( -0.778 -0.433 0.476) 1.010 2.010 ( 5.040 -4.128 -2.145) 6.858 2.087 ( -0.314 2.714 1.639) 3.186 2.095 ( -3.639 -2.245 1.289) 4.466 2.120 ( -0.383 -3.520 0.736) 3.617 2.203 ( -1.602 -2.337 -0.415) 2.864 2.419 ( 0.728 -2.370 -0.483) 2.526 2.442 ( -1.280 -2.012 1.155) 2.649 2.528 ( 0.371 2.519 -0.354) 2.570 2.682 ( 4.320 -1.443 2.012) 4.979 2.817 ( -0.862 -0.112 0.380) 0.948 2.835 ( -4.167 -1.679 -2.575) 5.178 2.944 ( -0.150 1.120 -0.136) 1.138 3.001 ( 1.951 2.447 -0.953) 3.272 3.031 ( 0.321 4.711 -0.564) 4.756 3.183 ( 2.033 -1.301 -0.412) 2.448 3.215 ( 0.276 2.920 1.432) 3.264 3.271 ( -0.649 0.274 1.899) 2.026 3.383 ( 0.901 1.737 0.218) 1.969 3.394 ( -2.718 0.883 -0.091) 2.859 3.734 ( -0.366 2.475 -0.540) 2.560 3.882 ( 2.539 4.782 1.297) 5.567 3.988 ( 2.173 -6.996 0.332) 7.333 4.042 ( -1.242 3.093 0.665) 3.399 4.135 ( -1.646 1.557 -0.181) 2.273 4.254 ( 0.299 0.439 0.416) 0.675 4.344 ( 3.749 -9.452 -1.372) 10.260 4.390 ( -0.360 -5.869 -0.391) 5.893 4.561 ( 2.925 1.763 0.702) 3.487 4.597 ( 0.007 0.680 1.718) 1.848 4.654 ( 3.511 2.742 -0.285) 4.464 4.737 ( 7.123 -1.164 -2.662) 7.693 4.890 ( -3.637 2.458 0.760) 4.454 4.907 ( 3.150 1.569 -1.181) 3.712 4.961 ( -1.209 2.292 1.427) 2.959 5.124 ( 0.846 -8.194 -1.399) 8.356 5.200 ( 1.333 -8.228 -3.745) 9.138 5.221 ( -1.539 -1.775 2.415) 3.369 5.250 ( -0.372 3.045 -0.767) 3.162 5.324 ( -3.526 -0.972 0.859) 3.757 5.469 ( -3.529 2.975 2.868) 5.435 5.672 ( 1.217 -8.782 -2.180) 9.130 5.887 ( 2.058 1.033 -2.430) 3.348 6.030 ( 0.650 -2.172 -0.208) 2.277 6.732 ( -2.508 8.458 -0.486) 8.836 6.826 ( 0.361 1.593 -0.554) 1.725 7.224 ( 0.866 5.785 1.958) 6.169 7.586 ( -3.232 -5.488 -0.243) 6.374 7.745 ( 0.191 -4.064 -0.021) 4.068 7.896 ( 0.058 -0.194 0.687) 0.716 7.905 ( -0.581 -3.501 -0.463) 3.579 8.170 ( 0.168 -0.213 -0.192) 0.333 9.039 ( 0.355 11.338 -0.284) 11.347 9.501 ( 0.109 13.476 0.109) 13.477 9.738 ( -0.640 -14.662 -0.922) 14.704 9.999 ( -0.359 -4.268 0.300) 4.293 10.433 ( -0.175 2.182 0.340) 2.215 10.472 ( 0.117 -0.159 -0.133) 0.238 10.733 ( -0.220 -0.810 0.297) 0.891 10.759 ( -0.258 -0.607 -0.750) 0.999 11.172 ( 1.264 1.400 -2.812) 3.386 11.244 ( -2.009 4.353 2.604) 5.456 11.384 ( -2.578 5.090 0.485) 5.727 11.533 ( -0.278 -0.325 0.023) 0.428 11.611 ( 0.444 -1.972 -0.178) 2.029 11.652 ( 0.567 -2.679 0.554) 2.794 11.902 ( 0.400 -1.303 -0.241) 1.384 12.247 ( 0.524 -9.509 0.405) 9.532 12.399 ( -0.782 6.026 -0.499) 6.097 12.678 ( -1.716 -3.817 0.115) 4.186 13.097 ( 2.491 1.282 -0.435) 2.835 13.151 ( -1.581 1.579 1.199) 2.536 13.265 ( 1.743 1.796 -1.347) 2.842 13.297 ( -0.098 -0.346 -0.037) 0.362 13.578 ( 0.070 -0.473 0.307) 0.568 13.597 ( -1.494 -0.484 0.480) 1.642 14.825 ( -0.035 2.081 0.218) 2.093 14.877 ( -0.227 -0.179 0.023) 0.290 14.891 ( 0.391 3.634 -0.115) 3.657 14.965 ( -0.070 -1.960 -0.222) 1.973 15.040 ( -0.584 -3.822 -0.408) 3.888 15.094 ( -1.609 -2.305 -0.408) 2.840 15.430 ( 0.434 8.137 0.283) 8.153 15.539 ( 0.503 4.204 1.033) 4.358 15.551 ( 2.038 -1.175 -0.561) 2.418 15.609 ( -0.801 1.812 -0.727) 2.110 15.652 ( -1.203 -0.477 0.175) 1.306 15.767 ( -0.608 1.551 -0.089) 1.668 15.860 ( 0.126 -1.349 -0.135) 1.361 15.968 ( 0.749 4.361 0.080) 4.426 16.027 ( -0.486 -9.333 0.806) 9.380 16.270 ( -0.061 -7.384 0.174) 7.386 17.121 ( 0.349 1.522 -1.640) 2.264 17.248 ( -0.415 1.475 1.586) 2.206 17.304 ( 0.710 4.370 -1.918) 4.825 17.380 ( 2.868 -7.842 -1.348) 8.458 17.466 ( -1.429 2.187 1.337) 2.934 17.787 ( 1.010 -4.775 -1.074) 4.997 17.829 ( -0.013 7.610 0.886) 7.662 18.027 ( 1.278 1.886 0.533) 2.339 26.469 ( 0.310 2.082 0.068) 2.106 26.545 ( 0.193 -0.635 -0.488) 0.823 26.679 ( 1.451 0.700 -0.231) 1.628 26.720 ( -0.183 -1.693 -0.548) 1.789 26.763 ( -0.808 0.093 0.506) 0.958 26.790 ( -1.419 -0.580 0.203) 1.547 26.856 ( 1.318 2.977 -0.538) 3.300 26.959 ( -1.065 -1.852 0.054) 2.137 27.167 ( -1.611 6.217 -0.679) 6.458 27.320 ( -1.036 -1.836 -1.354) 2.505 27.416 ( 0.438 1.005 0.701) 1.301 27.450 ( -0.662 0.027 0.471) 0.813 27.560 ( -0.236 0.770 -0.687) 1.059 27.666 ( 0.431 -2.143 0.338) 2.212 27.735 ( -0.531 0.779 1.258) 1.572 27.745 ( 0.069 -0.586 0.141) 0.607 28.066 ( 1.623 5.877 -0.963) 6.172 28.185 ( 2.403 6.878 1.004) 7.354 28.256 ( 0.774 1.812 -0.961) 2.192 28.387 ( -3.069 -2.764 -1.767) 4.492 28.471 ( 1.837 -14.622 0.645) 14.751 28.677 ( -1.036 -10.468 -1.557) 10.634 29.516 ( 3.074 10.144 1.217) 10.669 29.909 ( 1.923 -8.283 7.130) 11.097 30.552 ( -2.644 2.849 -1.049) 4.025 30.681 ( -1.254 -2.877 -0.622) 3.199 31.087 ( 1.203 12.788 2.758) 13.137 31.347 ( 0.998 -5.332 -2.305) 5.894 31.542 ( -1.535 0.904 -1.008) 2.047 31.664 ( -3.328 2.862 -2.569) 5.086 31.836 ( 0.214 6.962 -2.389) 7.363 32.136 ( -2.046 -5.008 1.492) 5.612 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 -12.452 0.000) 12.452 0.568 ( 0.000 12.452 0.000) 12.452 0.646 ( 0.000 -13.817 0.000) 13.817 0.646 ( 0.000 13.817 0.000) 13.817 0.998 ( 0.000 -0.505 0.000) 0.505 0.998 ( 0.000 0.505 0.000) 0.505 1.021 ( 0.000 -5.820 0.000) 5.820 1.021 ( 0.000 5.820 0.000) 5.820 1.139 ( 0.000 -0.996 0.000) 0.996 1.139 ( 0.000 0.996 0.000) 0.996 1.203 ( 0.000 -12.564 0.000) 12.564 1.203 ( 0.000 12.564 0.000) 12.564 1.305 ( 0.000 -2.376 0.000) 2.376 1.305 ( 0.000 2.376 0.000) 2.376 1.444 ( 0.000 -3.685 0.000) 3.685 1.444 ( 0.000 3.685 0.000) 3.685 1.530 ( 0.000 -0.384 0.000) 0.384 1.530 ( 0.000 0.384 0.000) 0.384 1.614 ( 0.000 -2.754 0.000) 2.754 1.614 ( 0.000 2.754 0.000) 2.754 1.714 ( 0.000 -2.838 0.000) 2.838 1.714 ( 0.000 2.838 0.000) 2.838 1.779 ( 0.000 -2.346 0.000) 2.346 1.779 ( 0.000 2.346 0.000) 2.346 1.911 ( 0.000 -2.523 0.000) 2.523 1.911 ( 0.000 2.523 0.000) 2.523 2.079 ( 0.000 -5.016 0.000) 5.016 2.079 ( 0.000 5.016 0.000) 5.016 2.168 ( 0.000 -3.542 0.000) 3.542 2.168 ( 0.000 3.542 0.000) 3.542 2.461 ( 0.000 -0.015 0.000) 0.015 2.461 ( 0.000 0.015 0.000) 0.015 2.689 ( 0.000 -9.991 0.000) 9.991 2.689 ( 0.000 9.991 0.000) 9.991 2.861 ( 0.000 -9.285 0.000) 9.285 2.861 ( 0.000 9.285 0.000) 9.285 2.944 ( 0.000 -4.133 0.000) 4.133 2.944 ( 0.000 4.133 0.000) 4.133 3.108 ( 0.000 -3.736 0.000) 3.736 3.108 ( 0.000 3.736 0.000) 3.736 3.227 ( 0.000 -5.034 0.000) 5.034 3.227 ( 0.000 5.034 0.000) 5.034 3.469 ( 0.000 -3.678 0.000) 3.678 3.469 ( 0.000 3.678 0.000) 3.678 3.690 ( 0.000 -4.169 0.000) 4.169 3.690 ( 0.000 4.169 0.000) 4.169 3.995 ( 0.000 -10.146 0.000) 10.146 3.995 ( 0.000 10.146 0.000) 10.146 4.195 ( 0.000 -6.236 0.000) 6.236 4.195 ( 0.000 6.236 0.000) 6.236 4.305 ( 0.000 -3.753 0.000) 3.753 4.305 ( 0.000 3.753 0.000) 3.753 4.458 ( 0.000 -6.335 0.000) 6.335 4.458 ( 0.000 6.335 0.000) 6.335 4.565 ( 0.000 -4.470 0.000) 4.470 4.565 ( 0.000 4.470 0.000) 4.470 4.725 ( 0.000 -7.083 0.000) 7.083 4.725 ( 0.000 7.083 0.000) 7.083 4.992 ( 0.000 -1.216 0.000) 1.216 4.992 ( 0.000 1.216 0.000) 1.216 5.102 ( 0.000 -4.298 0.000) 4.298 5.102 ( 0.000 4.298 0.000) 4.298 5.436 ( 0.000 -0.096 0.000) 0.096 5.436 ( 0.000 0.096 0.000) 0.096 5.672 ( 0.000 -4.929 0.000) 4.929 5.672 ( 0.000 4.929 0.000) 4.929 5.775 ( 0.000 -9.576 0.000) 9.576 5.775 ( 0.000 9.576 0.000) 9.576 6.865 ( 0.000 -2.007 0.000) 2.007 6.865 ( 0.000 2.007 0.000) 2.007 7.486 ( 0.000 -13.222 0.000) 13.222 7.486 ( 0.000 13.222 0.000) 13.222 7.799 ( 0.000 -3.896 0.000) 3.896 7.799 ( 0.000 3.896 0.000) 3.896 8.074 ( 0.000 -6.986 0.000) 6.986 8.074 ( 0.000 6.986 0.000) 6.986 9.410 ( 0.000 -20.346 0.000) 20.346 9.410 ( 0.000 20.346 0.000) 20.346 9.794 ( 0.000 -13.883 0.000) 13.883 9.794 ( 0.000 13.883 0.000) 13.883 10.472 ( 0.000 -1.163 0.000) 1.163 10.472 ( 0.000 1.163 0.000) 1.163 10.737 ( 0.000 -1.492 0.000) 1.492 10.737 ( 0.000 1.492 0.000) 1.492 11.244 ( 0.000 -6.418 0.000) 6.418 11.244 ( 0.000 6.418 0.000) 6.418 11.531 ( 0.000 -0.777 0.000) 0.777 11.531 ( 0.000 0.777 0.000) 0.777 11.605 ( 0.000 -1.411 0.000) 1.411 11.605 ( 0.000 1.411 0.000) 1.411 12.035 ( 0.000 -11.381 0.000) 11.381 12.035 ( 0.000 11.381 0.000) 11.381 12.654 ( 0.000 -6.631 0.000) 6.631 12.654 ( 0.000 6.631 0.000) 6.631 13.033 ( 0.000 -2.716 0.000) 2.716 13.033 ( 0.000 2.716 0.000) 2.716 13.266 ( 0.000 -0.988 0.000) 0.988 13.266 ( 0.000 0.988 0.000) 0.988 13.640 ( 0.000 -0.427 0.000) 0.427 13.640 ( 0.000 0.427 0.000) 0.427 14.865 ( 0.000 -0.246 0.000) 0.246 14.865 ( 0.000 0.246 0.000) 0.246 14.917 ( 0.000 -1.633 0.000) 1.633 14.917 ( 0.000 1.633 0.000) 1.633 15.135 ( 0.000 -0.782 0.000) 0.782 15.135 ( 0.000 0.782 0.000) 0.782 15.452 ( 0.000 -1.041 0.000) 1.041 15.452 ( 0.000 1.041 0.000) 1.041 15.642 ( 0.000 -6.073 0.000) 6.073 15.642 ( 0.000 6.073 0.000) 6.073 15.762 ( 0.000 -2.214 0.000) 2.214 15.762 ( 0.000 2.214 0.000) 2.214 15.868 ( 0.000 -2.471 0.000) 2.471 15.868 ( 0.000 2.471 0.000) 2.471 16.110 ( 0.000 -6.765 0.000) 6.765 16.110 ( 0.000 6.765 0.000) 6.765 17.122 ( 0.000 -3.936 0.000) 3.936 17.122 ( 0.000 3.936 0.000) 3.936 17.312 ( 0.000 -1.690 0.000) 1.690 17.312 ( 0.000 1.690 0.000) 1.690 17.608 ( 0.000 -7.458 0.000) 7.458 17.608 ( 0.000 7.458 0.000) 7.458 17.899 ( 0.000 -4.381 0.000) 4.381 17.899 ( 0.000 4.381 0.000) 4.381 26.501 ( 0.000 -2.175 0.000) 2.175 26.501 ( 0.000 2.175 0.000) 2.175 26.683 ( 0.000 -1.698 0.000) 1.698 26.683 ( 0.000 1.698 0.000) 1.698 26.825 ( 0.000 -0.681 0.000) 0.681 26.825 ( 0.000 0.681 0.000) 0.681 26.885 ( 0.000 -3.305 0.000) 3.305 26.885 ( 0.000 3.305 0.000) 3.305 27.400 ( 0.000 -1.858 0.000) 1.858 27.400 ( 0.000 1.858 0.000) 1.858 27.437 ( 0.000 -2.871 0.000) 2.871 27.437 ( 0.000 2.871 0.000) 2.871 27.590 ( 0.000 -0.019 0.000) 0.019 27.590 ( 0.000 0.019 0.000) 0.019 27.813 ( 0.000 -2.781 0.000) 2.781 27.813 ( 0.000 2.781 0.000) 2.781 28.003 ( 0.000 -1.036 0.000) 1.036 28.003 ( 0.000 1.036 0.000) 1.036 28.354 ( 0.000 -3.963 0.000) 3.963 28.354 ( 0.000 3.963 0.000) 3.963 28.521 ( 0.000 -11.969 0.000) 11.969 28.521 ( 0.000 11.969 0.000) 11.969 29.497 ( 0.000 -0.399 0.000) 0.399 29.497 ( 0.000 0.399 0.000) 0.399 30.696 ( 0.000 -1.430 0.000) 1.430 30.696 ( 0.000 1.430 0.000) 1.430 31.215 ( 0.000 -1.622 0.000) 1.622 31.215 ( 0.000 1.622 0.000) 1.622 31.800 ( 0.000 -3.877 0.000) 3.877 31.800 ( 0.000 3.877 0.000) 3.877 32.098 ( 0.000 -2.008 0.000) 2.008 32.098 ( 0.000 2.008 0.000) 2.008 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.20 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.732 -2.428 2.001) 3.231 0.561 ( 0.732 2.428 2.001) 3.231 0.673 ( 3.278 -1.239 -4.477) 5.685 0.673 ( 3.278 1.239 -4.477) 5.685 0.970 ( -4.069 -0.508 -0.360) 4.116 0.970 ( -4.069 0.508 -0.360) 4.116 1.063 ( 2.045 -6.523 1.608) 7.023 1.063 ( 2.045 6.523 1.608) 7.023 1.116 ( -1.318 -1.167 -1.494) 2.309 1.116 ( -1.318 1.167 -1.494) 2.309 1.275 ( 6.450 -8.407 -2.995) 11.011 1.275 ( 6.450 8.407 -2.995) 11.011 1.297 ( -0.003 -2.178 1.571) 2.686 1.297 ( -0.003 2.178 1.571) 2.686 1.454 ( 0.849 -2.417 -1.523) 2.980 1.454 ( 0.849 2.417 -1.523) 2.980 1.546 ( 0.025 -3.957 2.560) 4.713 1.546 ( 0.025 3.957 2.560) 4.713 1.604 ( -0.461 -2.391 1.818) 3.039 1.604 ( -0.461 2.391 1.818) 3.039 1.689 ( -1.900 -1.272 -0.760) 2.409 1.689 ( -1.900 1.272 -0.760) 2.409 1.797 ( 1.635 -5.406 -0.354) 5.659 1.797 ( 1.635 5.406 -0.354) 5.659 1.911 ( 0.063 -1.561 2.990) 3.374 1.911 ( 0.063 1.561 2.990) 3.374 2.040 ( -2.745 -6.349 -0.456) 6.932 2.040 ( -2.745 6.349 -0.456) 6.932 2.167 ( -0.032 -2.866 1.764) 3.365 2.167 ( -0.032 2.866 1.764) 3.365 2.449 ( -1.753 -0.745 1.975) 2.744 2.449 ( -1.753 0.745 1.975) 2.744 2.691 ( 0.088 -9.609 -1.667) 9.753 2.691 ( 0.088 9.609 -1.667) 9.753 2.839 ( -2.667 -8.748 -1.627) 9.289 2.839 ( -2.667 8.748 -1.627) 9.289 2.943 ( 0.532 -4.573 -0.196) 4.608 2.943 ( 0.532 4.573 -0.196) 4.608 3.100 ( 0.527 -3.254 -0.256) 3.307 3.100 ( 0.527 3.254 -0.256) 3.307 3.258 ( 2.065 -4.018 1.206) 4.675 3.258 ( 2.065 4.018 1.206) 4.675 3.436 ( -2.863 -4.203 2.602) 5.713 3.436 ( -2.863 4.203 2.602) 5.713 3.793 ( 5.825 -3.319 1.136) 6.800 3.793 ( 5.825 3.319 1.136) 6.800 3.985 ( 1.267 -11.032 -1.567) 11.215 3.985 ( 1.267 11.032 -1.567) 11.215 4.167 ( -1.460 -5.176 -0.059) 5.379 4.167 ( -1.460 5.176 -0.059) 5.379 4.307 ( -1.226 -2.066 1.328) 2.745 4.307 ( -1.226 2.066 1.328) 2.745 4.503 ( 4.632 -3.069 2.269) 6.002 4.503 ( 4.632 3.069 2.269) 6.002 4.635 ( 5.181 -3.535 -8.098) 10.243 4.635 ( 5.181 3.535 -8.098) 10.243 4.785 ( 5.760 -3.100 2.618) 7.045 4.785 ( 5.760 3.100 2.618) 7.045 5.017 ( 0.637 -2.335 -0.452) 2.462 5.017 ( 0.637 2.335 -0.452) 2.462 5.113 ( 1.834 -3.664 -0.541) 4.133 5.113 ( 1.834 3.664 -0.541) 4.133 5.408 ( -3.784 -1.846 1.872) 4.608 5.408 ( -3.784 1.846 1.872) 4.608 5.578 ( -4.464 -0.453 0.192) 4.491 5.578 ( -4.464 0.453 0.192) 4.491 5.866 ( 5.450 -5.080 -2.100) 7.741 5.866 ( 5.450 5.080 -2.100) 7.741 6.863 ( -0.441 -1.921 1.820) 2.682 6.863 ( -0.441 1.921 1.820) 2.682 7.471 ( -2.020 -13.871 1.238) 14.072 7.471 ( -2.020 13.871 1.238) 14.072 7.753 ( -3.226 -4.826 -1.712) 6.052 7.753 ( -3.226 4.826 -1.712) 6.052 8.075 ( 0.071 -7.081 -0.007) 7.081 8.075 ( 0.071 7.081 -0.007) 7.081 9.393 ( -1.061 -18.919 -1.249) 18.990 9.393 ( -1.061 18.919 -1.249) 18.990 9.799 ( 0.454 -13.289 0.014) 13.296 9.799 ( 0.454 13.289 0.014) 13.296 10.471 ( -0.038 -1.032 -0.034) 1.033 10.471 ( -0.038 1.032 -0.034) 1.033 10.735 ( -0.070 -1.276 -0.367) 1.330 10.735 ( -0.070 1.276 -0.367) 1.330 11.243 ( 0.048 -5.707 -0.659) 5.745 11.243 ( 0.048 5.707 -0.659) 5.745 11.518 ( -1.240 -1.421 0.540) 1.961 11.518 ( -1.240 1.421 0.540) 1.961 11.601 ( -0.522 -1.696 0.812) 1.951 11.601 ( -0.522 1.696 0.812) 1.951 12.025 ( -0.855 -10.956 -0.178) 10.991 12.025 ( -0.855 10.956 -0.178) 10.991 12.610 ( -3.278 -7.238 -0.203) 7.948 12.610 ( -3.278 7.238 -0.203) 7.948 13.087 ( 3.926 -3.406 0.525) 5.223 13.087 ( 3.926 3.406 0.525) 5.223 13.265 ( 0.413 -1.397 -0.877) 1.701 13.265 ( 0.413 1.397 -0.877) 1.701 13.620 ( -1.887 -0.876 0.570) 2.157 13.620 ( -1.887 0.876 0.570) 2.157 14.864 ( -0.138 -1.128 0.200) 1.154 14.864 ( -0.138 1.128 0.200) 1.154 14.921 ( 0.503 -1.694 -0.157) 1.774 14.921 ( 0.503 1.694 -0.157) 1.774 15.094 ( -3.022 -1.729 -1.221) 3.690 15.094 ( -3.022 1.729 -1.221) 3.690 15.475 ( 2.014 -1.317 0.203) 2.415 15.475 ( 2.014 1.317 0.203) 2.415 15.647 ( 0.175 -3.807 -0.533) 3.848 15.647 ( 0.175 3.807 -0.533) 3.848 15.747 ( -1.075 -6.003 1.506) 6.282 15.747 ( -1.075 6.003 1.506) 6.282 15.854 ( -1.083 -3.984 -0.277) 4.138 15.854 ( -1.083 3.984 -0.277) 4.138 16.108 ( -0.096 -6.992 0.211) 6.995 16.108 ( -0.096 6.992 0.211) 6.995 17.159 ( 2.913 -3.204 -0.892) 4.421 17.159 ( 2.913 3.204 -0.892) 4.421 17.308 ( -0.453 -1.532 0.727) 1.755 17.308 ( -0.453 1.532 0.727) 1.755 17.617 ( 0.874 -8.066 -1.308) 8.218 17.617 ( 0.874 8.066 -1.308) 8.218 17.937 ( 2.867 -4.662 1.180) 5.599 17.937 ( 2.867 4.662 1.180) 5.599 26.507 ( 0.455 -2.114 -0.079) 2.164 26.507 ( 0.455 2.114 -0.079) 2.164 26.685 ( 0.413 -1.685 -0.523) 1.812 26.685 ( 0.413 1.685 -0.523) 1.812 26.810 ( -1.575 -0.875 0.291) 1.825 26.810 ( -1.575 0.875 0.291) 1.825 26.893 ( 0.928 -3.469 -0.286) 3.603 26.893 ( 0.928 3.469 -0.286) 3.603 27.344 ( -3.855 -1.794 -2.494) 4.930 27.344 ( -3.855 1.794 -2.494) 4.930 27.439 ( -0.331 -1.775 1.786) 2.539 27.439 ( -0.331 1.775 1.786) 2.539 27.601 ( 0.769 -1.828 -0.268) 2.002 27.601 ( 0.769 1.828 -0.268) 2.002 27.770 ( -2.521 -0.676 0.766) 2.721 27.770 ( -2.521 0.676 0.766) 2.721 28.082 ( 5.861 -4.930 -1.117) 7.740 28.082 ( 5.861 4.930 -1.117) 7.740 28.342 ( -1.277 -3.350 0.796) 3.672 28.342 ( -1.277 3.350 0.796) 3.672 28.490 ( -1.902 -11.147 -3.382) 11.803 28.490 ( -1.902 11.147 -3.382) 11.803 29.586 ( 6.027 -6.344 7.233) 11.353 29.586 ( 6.027 6.344 7.233) 11.353 30.669 ( -2.271 -1.883 -1.397) 3.264 30.669 ( -2.271 1.883 -1.397) 3.264 31.225 ( 1.139 -3.204 0.353) 3.419 31.225 ( 1.139 3.204 0.353) 3.419 31.741 ( -4.871 -5.011 -2.608) 7.459 31.741 ( -4.871 5.011 -2.608) 7.459 32.048 ( -3.349 -7.109 -0.812) 7.900 32.048 ( -3.349 7.109 -0.812) 7.900 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.40 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 3.463 -5.123 2.216) 6.569 0.626 ( 3.463 5.123 2.216) 6.569 0.737 ( 4.496 -6.113 -6.020) 9.687 0.737 ( 4.496 6.113 -6.020) 9.687 0.851 ( -6.767 -6.575 2.665) 9.804 0.851 ( -6.767 6.575 2.665) 9.804 1.062 ( -0.957 -5.654 -0.452) 5.752 1.062 ( -0.957 5.654 -0.452) 5.752 1.112 ( 0.214 -4.356 0.420) 4.381 1.112 ( 0.214 4.356 0.420) 4.381 1.302 ( 0.547 -1.154 0.631) 1.424 1.302 ( 0.547 1.154 0.631) 1.424 1.395 ( 5.141 -2.558 -3.802) 6.887 1.395 ( 5.141 2.558 -3.802) 6.887 1.447 ( -0.999 -3.789 -1.063) 4.060 1.447 ( -0.999 3.789 -1.063) 4.060 1.526 ( -2.876 -5.178 3.017) 6.647 1.526 ( -2.876 5.178 3.017) 6.647 1.597 ( -0.073 -3.538 0.461) 3.569 1.597 ( -0.073 3.538 0.461) 3.569 1.658 ( -1.610 -0.946 0.572) 1.953 1.658 ( -1.610 0.946 0.572) 1.953 1.845 ( 2.759 -7.833 -0.030) 8.305 1.845 ( 2.759 7.833 -0.030) 8.305 1.929 ( -0.131 -1.822 0.838) 2.010 1.929 ( -0.131 1.822 0.838) 2.010 2.027 ( 1.712 -1.089 0.889) 2.215 2.027 ( 1.712 1.089 0.889) 2.215 2.177 ( 0.331 -1.713 1.422) 2.250 2.177 ( 0.331 1.713 1.422) 2.250 2.409 ( -2.057 -0.827 0.965) 2.418 2.409 ( -2.057 0.827 0.965) 2.418 2.666 ( -1.699 -7.333 -1.099) 7.607 2.666 ( -1.699 7.333 -1.099) 7.607 2.757 ( -2.701 -4.378 -1.438) 5.341 2.757 ( -2.701 4.378 -1.438) 5.341 2.977 ( 1.624 -2.012 0.308) 2.603 2.977 ( 1.624 2.012 0.308) 2.603 3.140 ( 2.560 -2.664 -0.909) 3.805 3.140 ( 2.560 2.664 -0.909) 3.805 3.275 ( -1.097 -1.520 1.487) 2.393 3.275 ( -1.097 1.520 1.487) 2.393 3.402 ( -0.682 -0.279 1.091) 1.316 3.402 ( -0.682 0.279 1.091) 1.316 3.839 ( 0.104 -6.105 -0.260) 6.112 3.839 ( 0.104 6.105 -0.260) 6.112 4.048 ( 2.628 -8.329 0.148) 8.735 4.048 ( 2.628 8.329 0.148) 8.735 4.148 ( -0.283 -4.087 -0.512) 4.129 4.148 ( -0.283 4.087 -0.512) 4.129 4.288 ( -0.651 -3.386 0.657) 3.510 4.288 ( -0.651 3.386 0.657) 3.510 4.593 ( 2.579 -0.966 -0.302) 2.770 4.593 ( 2.579 0.966 -0.302) 2.770 4.739 ( 6.824 -3.050 -2.339) 7.832 4.739 ( 6.824 3.050 -2.339) 7.832 4.900 ( 2.788 -2.222 -0.730) 3.639 4.900 ( 2.788 2.222 -0.730) 3.639 4.977 ( -3.517 -2.601 2.522) 5.049 4.977 ( -3.517 2.601 2.522) 5.049 5.153 ( 1.081 -2.193 -1.040) 2.657 5.153 ( 1.081 2.193 -1.040) 2.657 5.311 ( -3.727 -1.490 0.143) 4.016 5.311 ( -3.727 1.490 0.143) 4.016 5.542 ( -0.273 -4.122 0.785) 4.205 5.542 ( -0.273 4.122 0.785) 4.205 5.942 ( 2.243 -4.213 -1.232) 4.930 5.942 ( 2.243 4.213 -1.232) 4.930 6.862 ( -0.200 -1.838 1.339) 2.282 6.862 ( -0.200 1.838 1.339) 2.282 7.418 ( -2.388 -10.283 0.361) 10.563 7.418 ( -2.388 10.283 0.361) 10.563 7.702 ( -0.968 -3.560 -0.835) 3.783 7.702 ( -0.968 3.560 -0.835) 3.783 8.077 ( 0.061 -7.224 -0.009) 7.224 8.077 ( 0.061 7.224 -0.009) 7.224 9.373 ( -0.421 -17.548 -0.668) 17.566 9.373 ( -0.421 17.548 -0.668) 17.566 9.808 ( 0.264 -12.626 -0.006) 12.628 9.808 ( 0.264 12.626 -0.006) 12.628 10.470 ( -0.020 -0.697 -0.013) 0.698 10.470 ( -0.020 0.697 -0.013) 0.698 10.733 ( 0.037 -1.161 -0.186) 1.176 10.733 ( 0.037 1.161 -0.186) 1.176 11.241 ( -0.027 -3.969 -0.445) 3.994 11.241 ( -0.027 3.969 -0.445) 3.994 11.496 ( -0.765 -3.649 0.307) 3.741 11.496 ( -0.765 3.649 0.307) 3.741 11.593 ( -0.364 -1.393 0.571) 1.549 11.593 ( -0.364 1.393 0.571) 1.549 12.008 ( -0.505 -10.182 -0.115) 10.195 12.008 ( -0.505 10.182 -0.115) 10.195 12.556 ( -1.522 -7.195 -0.177) 7.356 12.556 ( -1.522 7.195 -0.177) 7.356 13.146 ( 1.196 -2.257 0.641) 2.633 13.146 ( 1.196 2.257 0.641) 2.633 13.286 ( 1.515 -1.245 -1.016) 2.208 13.286 ( 1.515 1.245 -1.016) 2.208 13.581 ( -1.549 -0.732 0.522) 1.791 13.581 ( -1.549 0.732 0.522) 1.791 14.862 ( -0.057 -1.167 0.106) 1.173 14.862 ( -0.057 1.167 0.106) 1.173 14.934 ( 0.574 -0.915 -0.052) 1.081 14.934 ( 0.574 0.915 -0.052) 1.081 15.036 ( -1.776 -2.630 -0.615) 3.232 15.036 ( -1.776 2.630 -0.615) 3.232 15.517 ( 1.534 -1.948 0.113) 2.481 15.517 ( 1.534 1.948 0.113) 2.481 15.635 ( -0.841 -1.037 -0.351) 1.381 15.635 ( -0.841 1.037 -0.351) 1.381 15.746 ( 0.303 -10.168 0.950) 10.216 15.746 ( 0.303 10.168 0.950) 10.216 15.831 ( -0.828 -2.557 -0.231) 2.698 15.831 ( -0.828 2.557 -0.231) 2.698 16.108 ( -0.012 -7.071 0.054) 7.071 16.108 ( -0.012 7.071 0.054) 7.071 17.205 ( 1.447 -5.867 -0.583) 6.071 17.205 ( 1.447 5.867 -0.583) 6.071 17.301 ( -0.409 -1.930 0.532) 2.043 17.301 ( -0.409 1.930 0.532) 2.043 17.627 ( 0.365 -8.844 -0.636) 8.874 17.627 ( 0.365 8.844 -0.636) 8.874 17.990 ( 1.499 -5.241 0.504) 5.474 17.990 ( 1.499 5.241 0.504) 5.474 26.515 ( 0.264 -1.972 -0.072) 1.991 26.515 ( 0.264 1.972 -0.072) 1.991 26.697 ( 0.739 -0.817 -0.623) 1.266 26.697 ( 0.739 0.817 -0.623) 1.266 26.774 ( -1.505 -0.798 0.490) 1.773 26.774 ( -1.505 0.798 0.490) 1.773 26.915 ( 0.882 -2.407 -0.118) 2.566 26.915 ( 0.882 2.407 -0.118) 2.566 27.269 ( -2.177 -3.205 -0.993) 3.999 27.269 ( -2.177 3.205 -0.993) 3.999 27.437 ( -0.239 -0.915 0.814) 1.248 27.437 ( -0.239 0.915 0.814) 1.248 27.609 ( 0.223 -2.992 -0.584) 3.057 27.609 ( 0.223 2.992 -0.584) 3.057 27.743 ( -0.549 -0.109 0.494) 0.747 27.743 ( -0.549 0.109 0.494) 0.747 28.185 ( 3.746 -7.510 -0.961) 8.447 28.185 ( 3.746 7.510 -0.961) 8.447 28.315 ( -1.501 -2.192 1.323) 2.968 28.315 ( -1.501 2.192 1.323) 2.968 28.445 ( -1.163 -11.456 -1.959) 11.680 28.445 ( -1.163 11.456 -1.959) 11.680 29.718 ( 3.490 -8.982 4.080) 10.464 29.718 ( 3.490 8.982 4.080) 10.464 30.613 ( -1.959 -3.044 -1.042) 3.767 30.613 ( -1.959 3.044 -1.042) 3.767 31.262 ( 1.785 -3.890 0.247) 4.287 31.262 ( 1.785 3.890 0.247) 4.287 31.630 ( -3.732 -5.146 -1.717) 6.585 31.630 ( -3.732 5.146 -1.717) 6.585 31.997 ( -1.272 -7.322 -0.252) 7.436 31.997 ( -1.272 7.322 -0.252) 7.436 ======================= Grid point 25 (10/63) ======================= q-point: ( 0.00 0.00 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 16.545 0.000 11.334) 20.055 0.284 ( 6.739 0.000 14.825) 16.284 0.745 ( -9.800 0.000 28.945) 30.559 0.861 ( -1.111 0.000 1.237) 1.662 0.989 ( -0.636 0.000 3.905) 3.956 0.994 ( -0.140 0.000 -0.405) 0.428 1.087 ( 4.115 0.000 1.006) 4.236 1.143 ( -0.442 0.000 2.093) 2.139 1.242 ( -0.527 0.000 3.808) 3.845 1.270 ( -0.812 0.000 13.042) 13.068 1.353 ( 0.445 0.000 3.315) 3.344 1.356 ( -4.361 0.000 -1.703) 4.682 1.420 ( -2.947 0.000 -3.333) 4.449 1.468 ( -2.518 0.000 2.600) 3.620 1.476 ( 0.017 0.000 9.783) 9.783 1.546 ( 0.292 0.000 8.540) 8.545 1.570 ( -1.913 0.000 3.646) 4.118 1.645 ( 2.056 0.000 1.416) 2.496 1.709 ( 1.463 0.000 11.554) 11.646 1.720 ( -2.881 0.000 10.754) 11.133 1.791 ( -0.656 0.000 9.036) 9.060 1.858 ( 0.047 0.000 6.208) 6.208 1.889 ( 1.426 0.000 3.602) 3.874 1.922 ( -2.690 0.000 2.333) 3.561 1.954 ( 0.156 0.000 14.409) 14.410 2.061 ( -1.199 0.000 5.027) 5.167 2.138 ( 7.025 0.000 -0.452) 7.039 2.193 ( -5.422 0.000 3.128) 6.259 2.282 ( -3.388 0.000 2.866) 4.437 2.350 ( 2.360 0.000 3.894) 4.553 2.391 ( 2.245 0.000 2.354) 3.253 2.490 ( 2.712 0.000 2.014) 3.379 2.506 ( 0.671 0.000 -5.521) 5.562 2.545 ( -0.655 0.000 2.608) 2.689 2.749 ( 5.949 0.000 -0.982) 6.030 2.767 ( -1.512 0.000 2.282) 2.738 2.925 ( -0.490 0.000 1.968) 2.028 2.925 ( -5.439 0.000 3.525) 6.481 3.024 ( 0.942 0.000 5.430) 5.511 3.118 ( 3.384 0.000 1.802) 3.834 3.306 ( -1.108 0.000 2.495) 2.730 3.380 ( 4.855 0.000 0.669) 4.901 3.455 ( 0.016 0.000 -1.815) 1.816 3.487 ( 15.586 0.000 4.485) 16.218 3.638 ( 4.083 0.000 2.408) 4.740 3.752 ( -1.272 0.000 -3.523) 3.746 3.802 ( 3.811 0.000 -2.752) 4.701 3.870 ( -0.344 0.000 -4.435) 4.448 4.040 ( -0.007 0.000 -1.996) 1.996 4.129 ( 0.678 0.000 -2.271) 2.370 4.213 ( -1.545 0.000 -10.102) 10.220 4.368 ( 1.120 0.000 -3.572) 3.744 4.480 ( -0.809 0.000 1.285) 1.519 4.498 ( -6.464 0.000 -1.088) 6.555 4.620 ( 3.815 0.000 -3.909) 5.462 4.676 ( -3.846 0.000 1.181) 4.024 4.692 ( -1.556 0.000 -1.103) 1.907 4.832 ( -1.181 0.000 -1.654) 2.033 4.934 ( -1.622 0.000 -4.552) 4.832 4.970 ( -4.790 0.000 4.664) 6.686 5.144 ( -4.638 0.000 -0.587) 4.675 5.273 ( -7.768 0.000 0.415) 7.780 5.350 ( 4.069 0.000 -8.625) 9.536 5.508 ( 2.018 0.000 0.867) 2.196 5.512 ( 6.462 0.000 -0.166) 6.464 5.735 ( -17.219 0.000 2.438) 17.391 5.862 ( -1.747 0.000 1.378) 2.226 6.093 ( 1.083 0.000 2.979) 3.170 6.683 ( -1.646 0.000 0.408) 1.696 6.807 ( -2.014 0.000 -2.897) 3.528 7.156 ( 2.492 0.000 4.942) 5.535 7.704 ( -1.046 0.000 -4.813) 4.926 7.750 ( 0.101 0.000 1.321) 1.325 7.818 ( 0.023 0.000 0.692) 0.692 8.112 ( -0.685 0.000 3.570) 3.635 8.117 ( 3.210 0.000 -0.965) 3.352 8.927 ( -0.015 0.000 1.524) 1.524 9.360 ( 0.072 0.000 -1.140) 1.142 9.957 ( 0.062 0.000 -0.580) 0.583 9.965 ( 0.848 0.000 -1.425) 1.658 10.436 ( 1.674 0.000 1.310) 2.126 10.496 ( -1.615 0.000 3.539) 3.890 10.720 ( 1.767 0.000 -5.275) 5.563 10.803 ( -0.832 0.000 0.202) 0.856 11.036 ( -2.703 0.000 -4.927) 5.620 11.260 ( 3.451 0.000 -20.167) 20.460 11.316 ( 2.519 0.000 1.321) 2.845 11.344 ( 3.082 0.000 -17.836) 18.100 11.424 ( 4.680 0.000 -20.838) 21.357 11.611 ( 1.011 0.000 -14.342) 14.377 11.888 ( 1.010 0.000 -5.976) 6.061 12.297 ( -0.169 0.000 6.200) 6.202 12.299 ( -0.704 0.000 -0.938) 1.173 12.792 ( 1.947 0.000 1.881) 2.707 13.085 ( 0.161 0.000 1.701) 1.709 13.229 ( -0.370 0.000 -1.588) 1.631 13.243 ( -2.310 0.000 5.288) 5.771 13.293 ( 0.320 0.000 1.890) 1.917 13.593 ( 0.633 0.000 0.853) 1.063 13.626 ( 0.127 0.000 0.399) 0.419 14.743 ( 1.481 0.000 -1.553) 2.146 14.824 ( -0.676 0.000 -1.277) 1.445 14.918 ( 0.994 0.000 -3.740) 3.870 14.989 ( -0.015 0.000 -2.219) 2.219 15.161 ( -2.680 0.000 -0.614) 2.749 15.192 ( -1.249 0.000 -0.082) 1.252 15.252 ( 0.975 0.000 0.631) 1.161 15.418 ( 0.901 0.000 -2.912) 3.048 15.528 ( 0.556 0.000 -4.082) 4.120 15.546 ( -2.210 0.000 1.985) 2.971 15.623 ( -0.051 0.000 -4.131) 4.131 15.769 ( 0.126 0.000 -0.928) 0.937 15.825 ( 0.767 0.000 -3.153) 3.245 15.878 ( -0.089 0.000 -1.220) 1.223 16.115 ( 5.800 0.000 -0.092) 5.801 16.344 ( 0.946 0.000 -2.998) 3.144 17.111 ( -16.183 0.000 7.106) 17.675 17.246 ( -2.272 0.000 6.715) 7.089 17.383 ( -0.926 0.000 11.148) 11.187 17.475 ( -1.965 0.000 8.123) 8.357 17.643 ( 2.444 0.000 4.079) 4.755 17.691 ( -0.949 0.000 -1.448) 1.731 17.890 ( 1.129 0.000 1.724) 2.061 17.895 ( -0.408 0.000 2.524) 2.557 26.429 ( -0.015 0.000 0.540) 0.540 26.556 ( -1.628 0.000 0.731) 1.785 26.622 ( -0.057 0.000 -0.468) 0.472 26.741 ( 0.033 0.000 -1.142) 1.143 26.756 ( -0.065 0.000 -1.045) 1.047 26.793 ( 0.164 0.000 1.395) 1.404 26.862 ( 0.151 0.000 0.527) 0.548 26.987 ( -1.323 0.000 -0.308) 1.359 27.121 ( -0.626 0.000 2.195) 2.283 27.373 ( -0.276 0.000 0.562) 0.626 27.514 ( 2.174 0.000 4.716) 5.193 27.535 ( 4.277 0.000 -5.641) 7.079 27.584 ( -1.102 0.000 -1.259) 1.673 27.739 ( 0.651 0.000 4.125) 4.176 27.836 ( 0.298 0.000 7.159) 7.165 27.850 ( -22.399 0.000 -5.059) 22.963 27.957 ( 0.540 0.000 0.584) 0.796 28.099 ( -3.132 0.000 5.530) 6.355 28.296 ( -1.893 0.000 8.180) 8.396 28.484 ( -2.839 0.000 -5.125) 5.859 28.651 ( -0.874 0.000 -1.446) 1.690 28.818 ( 4.736 0.000 3.491) 5.884 28.866 ( 1.637 0.000 -2.949) 3.373 29.878 ( 30.733 0.000 -5.866) 31.288 30.523 ( 0.921 0.000 3.153) 3.284 30.704 ( -0.753 0.000 1.743) 1.899 30.754 ( -0.110 0.000 -0.391) 0.406 31.408 ( 1.242 0.000 -2.764) 3.031 31.669 ( 2.859 0.000 -7.479) 8.007 31.730 ( -3.184 0.000 8.844) 9.400 31.797 ( -20.769 0.000 -4.499) 21.251 32.440 ( 0.308 0.000 -2.476) 2.495 ======================= Grid point 26 (11/63) ======================= q-point: ( 0.20 0.00 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 3.634 0.000 11.421) 11.985 0.501 ( 3.699 0.000 14.809) 15.264 0.811 ( 10.613 0.000 17.300) 20.296 0.840 ( -1.568 0.000 -1.078) 1.903 0.981 ( -0.349 0.000 -1.848) 1.880 1.009 ( 1.298 0.000 3.654) 3.878 1.078 ( -2.049 0.000 0.917) 2.245 1.130 ( -6.125 0.000 6.029) 8.594 1.228 ( -0.832 0.000 2.541) 2.674 1.279 ( -1.945 0.000 5.527) 5.859 1.313 ( -0.879 0.000 7.283) 7.335 1.336 ( -2.578 0.000 -2.003) 3.264 1.382 ( -2.214 0.000 5.857) 6.261 1.392 ( -1.018 0.000 1.552) 1.856 1.503 ( -0.786 0.000 8.805) 8.840 1.529 ( -3.317 0.000 5.083) 6.070 1.558 ( -1.313 0.000 11.550) 11.625 1.690 ( -2.220 0.000 5.671) 6.090 1.700 ( 0.730 0.000 7.287) 7.324 1.780 ( -2.251 0.000 2.482) 3.351 1.810 ( 3.183 0.000 4.210) 5.277 1.854 ( -4.758 0.000 9.672) 10.779 1.858 ( -3.393 0.000 5.360) 6.344 1.942 ( 2.839 0.000 3.650) 4.624 1.944 ( -2.061 0.000 4.197) 4.676 2.033 ( -0.883 0.000 2.794) 2.930 2.074 ( -4.758 0.000 15.635) 16.343 2.216 ( -2.767 0.000 4.951) 5.672 2.357 ( -3.801 0.000 0.695) 3.865 2.364 ( 7.890 0.000 -2.718) 8.345 2.397 ( -3.235 0.000 5.305) 6.214 2.486 ( -0.718 0.000 3.441) 3.515 2.513 ( 1.946 0.000 -2.589) 3.239 2.653 ( 5.801 0.000 0.460) 5.819 2.726 ( -0.935 0.000 2.543) 2.710 2.810 ( 0.977 0.000 0.149) 0.988 2.883 ( 0.107 0.000 4.430) 4.431 2.946 ( 0.738 0.000 1.839) 1.981 3.040 ( -1.645 0.000 3.544) 3.907 3.148 ( 0.909 0.000 1.268) 1.560 3.286 ( -0.479 0.000 3.511) 3.544 3.362 ( -2.020 0.000 0.002) 2.020 3.422 ( -2.779 0.000 -0.610) 2.845 3.460 ( -6.134 0.000 10.679) 12.315 3.683 ( -1.599 0.000 -3.794) 4.117 3.788 ( 7.300 0.000 3.238) 7.986 3.947 ( 6.823 0.000 -5.775) 8.939 4.010 ( -2.046 0.000 -3.417) 3.983 4.132 ( -1.950 0.000 -5.662) 5.988 4.156 ( 2.927 0.000 -2.679) 3.968 4.352 ( -4.007 0.000 -3.396) 5.253 4.360 ( -0.533 0.000 -4.893) 4.922 4.501 ( 23.103 0.000 -19.053) 29.946 4.504 ( 2.526 0.000 2.222) 3.365 4.622 ( -2.674 0.000 -4.130) 4.920 4.686 ( 1.823 0.000 -1.850) 2.597 4.783 ( 20.188 0.000 -18.892) 27.649 4.806 ( -0.384 0.000 -2.902) 2.928 4.913 ( -0.999 0.000 5.625) 5.713 5.011 ( 5.460 0.000 -2.084) 5.844 5.076 ( -1.084 0.000 7.295) 7.375 5.197 ( -0.522 0.000 -4.790) 4.818 5.343 ( -3.105 0.000 -2.944) 4.279 5.492 ( -7.602 0.000 4.837) 9.011 5.530 ( -0.041 0.000 -0.829) 0.830 5.676 ( 5.782 0.000 3.035) 6.530 5.785 ( -5.370 0.000 -0.465) 5.390 6.115 ( -0.331 0.000 4.584) 4.596 6.638 ( -2.171 0.000 0.039) 2.171 6.759 ( -0.579 0.000 -5.716) 5.746 7.235 ( 2.567 0.000 6.817) 7.285 7.688 ( 1.342 0.000 -4.794) 4.978 7.725 ( -2.790 0.000 1.021) 2.971 7.815 ( -0.428 0.000 0.348) 0.552 8.106 ( -2.045 0.000 -2.805) 3.471 8.123 ( 0.498 0.000 3.103) 3.143 8.935 ( 0.179 0.000 1.663) 1.673 9.342 ( -1.062 0.000 -0.709) 1.277 9.959 ( 0.253 0.000 -0.851) 0.888 9.973 ( 0.230 0.000 -1.250) 1.271 10.467 ( -1.576 0.000 3.443) 3.786 10.479 ( 1.025 0.000 1.857) 2.121 10.725 ( 0.338 0.000 -4.914) 4.926 10.781 ( -1.113 0.000 -0.135) 1.121 10.978 ( -0.341 0.000 -7.801) 7.808 11.216 ( -0.551 0.000 -18.287) 18.295 11.341 ( 2.783 0.000 -18.564) 18.771 11.365 ( 1.318 0.000 -1.321) 1.866 11.442 ( 2.200 0.000 -10.258) 10.491 11.529 ( -0.283 0.000 -16.748) 16.750 11.876 ( 0.187 0.000 -6.322) 6.325 12.315 ( 2.343 0.000 -1.721) 2.907 12.333 ( 1.437 0.000 6.779) 6.930 12.805 ( -1.798 0.000 1.498) 2.340 13.108 ( 1.169 0.000 2.103) 2.406 13.184 ( -3.703 0.000 3.934) 5.403 13.212 ( -0.397 0.000 -1.666) 1.713 13.300 ( -0.336 0.000 1.192) 1.238 13.606 ( 0.106 0.000 1.608) 1.612 13.624 ( -0.477 0.000 0.746) 0.885 14.766 ( 0.865 0.000 -2.209) 2.372 14.817 ( 0.623 0.000 -0.437) 0.761 14.915 ( -1.184 0.000 -1.536) 1.939 14.950 ( -0.755 0.000 0.204) 0.782 15.119 ( -0.256 0.000 -2.818) 2.830 15.149 ( -2.260 0.000 -0.075) 2.262 15.275 ( 0.644 0.000 0.522) 0.829 15.449 ( 2.487 0.000 -3.040) 3.928 15.525 ( 0.653 0.000 -4.293) 4.342 15.529 ( 0.008 0.000 2.674) 2.674 15.611 ( 0.615 0.000 -5.071) 5.108 15.762 ( -0.737 0.000 -0.491) 0.886 15.836 ( 1.015 0.000 -2.114) 2.345 15.877 ( 0.652 0.000 -2.160) 2.256 16.172 ( -0.062 0.000 -0.651) 0.654 16.352 ( 0.601 0.000 -2.600) 2.669 17.056 ( 3.767 0.000 6.388) 7.416 17.223 ( -1.937 0.000 6.625) 6.902 17.388 ( -2.284 0.000 10.452) 10.698 17.492 ( 0.376 0.000 7.771) 7.780 17.648 ( -2.061 0.000 4.968) 5.378 17.683 ( 0.669 0.000 -0.757) 1.010 17.900 ( -0.289 0.000 2.835) 2.850 17.937 ( 2.299 0.000 1.525) 2.759 26.436 ( 0.436 0.000 0.556) 0.706 26.537 ( -0.119 0.000 -0.233) 0.262 26.633 ( 1.261 0.000 -0.716) 1.450 26.746 ( 0.465 0.000 -1.736) 1.797 26.751 ( -0.175 0.000 -0.801) 0.820 26.797 ( -0.115 0.000 1.653) 1.657 26.844 ( -2.002 0.000 0.626) 2.098 26.981 ( 1.233 0.000 -1.218) 1.733 27.093 ( -2.582 0.000 2.229) 3.411 27.383 ( 1.000 0.000 0.619) 1.176 27.466 ( -8.529 0.000 4.762) 9.769 27.540 ( -0.934 0.000 3.698) 3.814 27.559 ( -0.918 0.000 -0.458) 1.026 27.648 ( 3.853 0.000 0.114) 3.855 27.760 ( -0.043 0.000 3.393) 3.393 27.854 ( -1.058 0.000 6.218) 6.307 27.970 ( -0.171 0.000 2.452) 2.458 28.073 ( 1.108 0.000 2.486) 2.722 28.301 ( -0.555 0.000 8.518) 8.536 28.465 ( -1.043 0.000 -1.223) 1.607 28.639 ( 0.040 0.000 -0.294) 0.296 28.879 ( 0.622 0.000 -3.304) 3.362 29.048 ( 12.280 0.000 -6.302) 13.803 30.160 ( -0.692 0.000 -17.095) 17.109 30.537 ( -0.713 0.000 3.030) 3.113 30.737 ( -1.317 0.000 -0.223) 1.336 30.820 ( 11.078 0.000 -1.761) 11.217 31.393 ( -13.021 0.000 4.833) 13.889 31.460 ( 4.318 0.000 -1.500) 4.571 31.676 ( -4.660 0.000 7.656) 8.963 31.695 ( 1.533 0.000 -4.646) 4.892 32.320 ( -7.086 0.000 0.462) 7.101 ======================= Grid point 27 (12/63) ======================= q-point: ( 0.40 0.00 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -5.266 0.000 4.665) 7.035 0.592 ( 3.387 0.000 12.028) 12.496 0.827 ( 1.520 0.000 0.951) 1.793 0.848 ( -9.540 0.000 2.479) 9.857 1.003 ( -4.820 0.000 6.160) 7.821 1.044 ( -0.336 0.000 3.852) 3.866 1.044 ( 0.197 0.000 1.996) 2.006 1.206 ( 13.616 0.000 3.609) 14.086 1.233 ( -2.607 0.000 2.756) 3.794 1.267 ( 0.114 0.000 2.135) 2.138 1.288 ( -3.620 0.000 4.669) 5.908 1.291 ( 2.390 0.000 0.407) 2.424 1.368 ( 1.134 0.000 7.640) 7.723 1.435 ( -0.458 0.000 4.059) 4.084 1.466 ( -3.042 0.000 5.298) 6.109 1.538 ( 0.390 0.000 14.127) 14.132 1.557 ( -7.170 0.000 14.695) 16.351 1.663 ( -1.471 0.000 -0.633) 1.601 1.691 ( 0.088 0.000 4.684) 4.684 1.725 ( -3.712 0.000 7.724) 8.570 1.751 ( -6.216 0.000 3.438) 7.104 1.841 ( 0.536 0.000 -3.314) 3.357 1.884 ( 1.928 0.000 7.602) 7.842 1.939 ( -1.386 0.000 6.688) 6.830 2.013 ( -0.917 0.000 6.596) 6.659 2.021 ( -5.311 0.000 14.551) 15.490 2.083 ( 6.640 0.000 0.636) 6.670 2.189 ( -2.087 0.000 8.154) 8.417 2.237 ( -5.811 0.000 2.286) 6.244 2.307 ( -7.300 0.000 7.483) 10.454 2.455 ( 1.894 0.000 0.513) 1.963 2.498 ( -0.213 0.000 3.438) 3.444 2.551 ( 1.598 0.000 -1.296) 2.058 2.676 ( 0.299 0.000 -1.829) 1.854 2.809 ( 3.099 0.000 1.996) 3.686 2.819 ( -0.711 0.000 1.836) 1.969 2.934 ( 2.711 0.000 4.476) 5.233 2.951 ( -2.146 0.000 4.055) 4.588 3.007 ( 0.602 0.000 1.165) 1.311 3.176 ( 0.810 0.000 0.113) 0.818 3.290 ( -2.288 0.000 -0.533) 2.349 3.340 ( -2.446 0.000 4.498) 5.120 3.373 ( -0.317 0.000 3.520) 3.535 3.399 ( -1.295 0.000 4.010) 4.213 3.675 ( 1.438 0.000 -2.424) 2.819 3.873 ( -0.396 0.000 0.682) 0.789 3.946 ( -2.048 0.000 -5.238) 5.624 4.053 ( 4.468 0.000 -5.201) 6.857 4.091 ( -0.943 0.000 -1.574) 1.835 4.216 ( 2.715 0.000 -3.093) 4.116 4.317 ( 2.173 0.000 -8.379) 8.656 4.341 ( 1.138 0.000 -7.270) 7.359 4.533 ( -4.324 0.000 -5.774) 7.213 4.563 ( 1.831 0.000 1.815) 2.578 4.663 ( 2.453 0.000 -0.477) 2.499 4.763 ( 6.152 0.000 -2.712) 6.723 4.804 ( 0.947 0.000 -2.354) 2.538 4.946 ( 0.870 0.000 4.750) 4.829 5.017 ( 5.102 0.000 -10.725) 11.877 5.052 ( 3.412 0.000 -2.787) 4.406 5.186 ( 6.752 0.000 -1.671) 6.955 5.199 ( 1.747 0.000 -2.720) 3.232 5.237 ( -5.248 0.000 -0.635) 5.286 5.357 ( -5.474 0.000 -0.739) 5.524 5.454 ( -7.489 0.000 2.757) 7.980 5.715 ( 0.777 0.000 -5.016) 5.076 5.834 ( 8.497 0.000 1.164) 8.577 6.111 ( -1.691 0.000 5.146) 5.417 6.617 ( 0.077 0.000 1.343) 1.345 6.756 ( 2.110 0.000 -4.949) 5.380 7.279 ( -1.454 0.000 7.246) 7.391 7.665 ( -2.217 0.000 0.085) 2.219 7.718 ( 2.615 0.000 -3.347) 4.247 7.806 ( -0.451 0.000 -0.033) 0.453 8.057 ( -1.512 0.000 -2.568) 2.980 8.145 ( 0.428 0.000 2.682) 2.716 8.942 ( -0.102 0.000 1.641) 1.644 9.324 ( -0.250 0.000 -0.588) 0.639 9.960 ( 0.187 0.000 -0.951) 0.970 9.967 ( -0.175 0.000 -1.530) 1.540 10.436 ( -1.827 0.000 2.031) 2.732 10.508 ( 0.598 0.000 2.709) 2.774 10.704 ( -0.428 0.000 -5.221) 5.239 10.767 ( -0.116 0.000 0.234) 0.261 10.972 ( 2.469 0.000 -8.056) 8.426 11.151 ( 0.886 0.000 -16.650) 16.674 11.333 ( 2.841 0.000 -18.532) 18.749 11.350 ( -1.720 0.000 -2.563) 3.087 11.423 ( 1.014 0.000 -13.720) 13.757 11.536 ( 3.829 0.000 -10.930) 11.582 11.863 ( 0.964 0.000 -7.626) 7.687 12.359 ( 1.975 0.000 -1.472) 2.464 12.382 ( 0.310 0.000 6.212) 6.220 12.759 ( -2.426 0.000 2.984) 3.846 13.135 ( 0.387 0.000 2.808) 2.834 13.148 ( -0.780 0.000 3.020) 3.119 13.204 ( -0.215 0.000 -1.002) 1.025 13.291 ( -0.142 0.000 -1.316) 1.324 13.605 ( -0.600 0.000 1.268) 1.403 13.615 ( -0.668 0.000 1.188) 1.363 14.757 ( -0.360 0.000 -3.555) 3.574 14.842 ( 1.173 0.000 0.873) 1.463 14.887 ( -0.857 0.000 -0.076) 0.860 14.951 ( 0.792 0.000 -3.551) 3.638 15.113 ( 0.386 0.000 -1.885) 1.924 15.116 ( -0.698 0.000 0.097) 0.705 15.280 ( -0.124 0.000 0.221) 0.253 15.471 ( 0.414 0.000 -3.188) 3.215 15.525 ( 0.790 0.000 -4.301) 4.373 15.554 ( 1.799 0.000 -0.398) 1.843 15.612 ( 0.593 0.000 -3.495) 3.545 15.744 ( -0.532 0.000 -0.291) 0.607 15.843 ( 0.380 0.000 -2.278) 2.309 15.889 ( 0.961 0.000 -1.827) 2.064 16.157 ( -0.972 0.000 -0.089) 0.976 16.349 ( 0.039 0.000 -2.428) 2.428 17.168 ( 4.641 0.000 5.617) 7.286 17.220 ( -0.531 0.000 6.414) 6.436 17.370 ( -2.730 0.000 10.082) 10.445 17.519 ( -0.691 0.000 6.018) 6.058 17.621 ( -2.238 0.000 6.477) 6.852 17.702 ( 0.901 0.000 0.316) 0.955 17.903 ( -0.384 0.000 3.242) 3.265 17.972 ( 0.490 0.000 0.402) 0.634 26.445 ( 0.135 0.000 0.448) 0.468 26.553 ( 1.428 0.000 0.644) 1.566 26.662 ( 1.450 0.000 -0.894) 1.704 26.743 ( -0.268 0.000 -0.890) 0.929 26.746 ( 0.257 0.000 -1.946) 1.963 26.804 ( 0.140 0.000 1.580) 1.586 26.804 ( -1.462 0.000 0.035) 1.462 27.012 ( 1.679 0.000 -0.933) 1.921 27.049 ( -1.903 0.000 2.227) 2.929 27.381 ( -2.225 0.000 3.113) 3.826 27.407 ( 0.695 0.000 0.816) 1.072 27.542 ( -0.749 0.000 4.392) 4.456 27.552 ( 0.435 0.000 0.644) 0.778 27.686 ( 0.079 0.000 1.417) 1.419 27.756 ( -1.356 0.000 2.526) 2.867 27.838 ( -2.168 0.000 5.151) 5.589 27.972 ( -0.148 0.000 1.793) 1.799 28.143 ( 3.454 0.000 0.813) 3.548 28.323 ( -0.462 0.000 8.831) 8.843 28.446 ( -0.182 0.000 3.911) 3.916 28.650 ( 0.758 0.000 1.728) 1.887 28.869 ( -0.240 0.000 -4.730) 4.737 29.226 ( 7.112 0.000 -6.659) 9.743 29.962 ( -10.214 0.000 -13.006) 16.537 30.518 ( -1.739 0.000 1.356) 2.205 30.713 ( -0.595 0.000 0.035) 0.596 30.986 ( 1.635 0.000 3.481) 3.845 31.289 ( 3.653 0.000 -8.623) 9.365 31.541 ( 1.560 0.000 0.007) 1.560 31.617 ( -1.557 0.000 7.141) 7.309 31.738 ( 4.368 0.000 -0.964) 4.473 32.196 ( -4.788 0.000 -1.448) 5.002 ======================= Grid point 28 (13/63) ======================= q-point: (-0.40 0.00 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -7.370 0.000 3.150) 8.015 0.573 ( -12.127 0.000 -1.788) 12.259 0.779 ( 6.866 0.000 8.264) 10.744 0.893 ( 2.945 0.000 2.926) 4.151 0.977 ( -0.620 0.000 5.091) 5.128 1.018 ( -2.250 0.000 0.999) 2.462 1.048 ( -0.713 0.000 3.548) 3.618 1.174 ( -2.692 0.000 2.553) 3.710 1.246 ( -4.677 0.000 2.010) 5.091 1.290 ( -10.241 0.000 12.493) 16.154 1.293 ( -0.014 0.000 5.773) 5.773 1.363 ( 3.462 0.000 0.309) 3.475 1.394 ( 0.645 0.000 2.469) 2.552 1.436 ( 4.601 0.000 7.614) 8.896 1.501 ( 3.114 0.000 9.723) 10.210 1.502 ( 0.854 0.000 5.090) 5.161 1.601 ( -5.971 0.000 8.466) 10.359 1.629 ( 1.501 0.000 10.168) 10.278 1.642 ( -2.915 0.000 -0.399) 2.942 1.701 ( -0.498 0.000 5.201) 5.224 1.741 ( 1.910 0.000 3.387) 3.888 1.862 ( 1.996 0.000 2.320) 3.060 1.885 ( -4.835 0.000 5.622) 7.415 1.914 ( -3.932 0.000 13.292) 13.862 1.970 ( -3.332 0.000 4.583) 5.667 1.996 ( -1.997 0.000 2.518) 3.214 2.102 ( -5.112 0.000 3.816) 6.379 2.202 ( 0.987 0.000 7.419) 7.484 2.229 ( -1.324 0.000 9.749) 9.839 2.275 ( 6.550 0.000 0.416) 6.563 2.464 ( -1.520 0.000 3.550) 3.862 2.512 ( 1.015 0.000 3.460) 3.606 2.551 ( -1.013 0.000 -2.175) 2.400 2.635 ( -4.251 0.000 -4.518) 6.204 2.791 ( -2.218 0.000 0.988) 2.428 2.796 ( -3.797 0.000 3.397) 5.095 2.944 ( 1.020 0.000 3.933) 4.064 3.000 ( 1.640 0.000 5.677) 5.909 3.070 ( 1.315 0.000 3.294) 3.547 3.168 ( -1.734 0.000 -0.801) 1.910 3.208 ( -2.140 0.000 -2.007) 2.934 3.266 ( -4.666 0.000 3.241) 5.681 3.413 ( 1.692 0.000 2.574) 3.080 3.427 ( 0.311 0.000 6.058) 6.066 3.707 ( 1.826 0.000 -1.199) 2.184 3.794 ( -6.369 0.000 -1.863) 6.636 3.921 ( 1.639 0.000 -5.628) 5.861 4.069 ( -0.863 0.000 -5.286) 5.356 4.081 ( 0.386 0.000 -1.979) 2.017 4.208 ( -2.276 0.000 -3.298) 4.008 4.354 ( 1.975 0.000 -5.307) 5.663 4.364 ( 4.325 0.000 -10.022) 10.915 4.411 ( -4.006 0.000 -8.532) 9.426 4.568 ( -2.100 0.000 0.520) 2.163 4.655 ( -2.881 0.000 1.302) 3.161 4.800 ( -0.866 0.000 -2.311) 2.468 4.856 ( 1.334 0.000 -0.467) 1.413 4.909 ( -4.985 0.000 2.486) 5.571 5.050 ( -1.950 0.000 7.723) 7.965 5.127 ( 4.252 0.000 -10.698) 11.512 5.185 ( 2.148 0.000 -3.030) 3.714 5.185 ( -0.086 0.000 -0.022) 0.089 5.271 ( 1.938 0.000 -2.244) 2.965 5.350 ( 4.776 0.000 -3.965) 6.208 5.367 ( 0.216 0.000 0.778) 0.807 5.760 ( 4.307 0.000 -2.929) 5.208 6.012 ( 8.440 0.000 -0.929) 8.491 6.088 ( -1.937 0.000 4.041) 4.481 6.646 ( 1.757 0.000 2.423) 2.993 6.800 ( 2.942 0.000 -2.594) 3.922 7.217 ( -5.836 0.000 5.034) 7.707 7.664 ( 1.817 0.000 0.157) 1.823 7.754 ( 1.360 0.000 -2.302) 2.674 7.799 ( -0.063 0.000 -0.028) 0.069 8.029 ( -0.553 0.000 -1.613) 1.705 8.149 ( -1.063 0.000 2.843) 3.035 8.938 ( -0.779 0.000 1.470) 1.664 9.329 ( 0.782 0.000 -0.486) 0.920 9.960 ( 0.085 0.000 -1.958) 1.960 9.961 ( 0.151 0.000 -0.732) 0.748 10.413 ( -0.806 0.000 0.912) 1.217 10.519 ( -0.500 0.000 3.102) 3.142 10.687 ( 0.838 0.000 -5.653) 5.715 10.781 ( 1.182 0.000 0.688) 1.367 11.017 ( 4.085 0.000 -6.275) 7.488 11.152 ( 4.850 0.000 -17.058) 17.735 11.301 ( -1.672 0.000 -3.233) 3.640 11.332 ( 3.277 0.000 -18.116) 18.410 11.404 ( 2.435 0.000 -17.869) 18.034 11.566 ( 1.876 0.000 -6.441) 6.709 11.864 ( 1.796 0.000 -8.067) 8.264 12.367 ( -3.461 0.000 5.344) 6.367 12.372 ( -0.428 0.000 -0.695) 0.816 12.752 ( 0.473 0.000 2.866) 2.905 13.131 ( -1.989 0.000 3.127) 3.706 13.172 ( 1.680 0.000 4.068) 4.402 13.200 ( 0.726 0.000 -1.235) 1.433 13.293 ( 0.531 0.000 -1.662) 1.744 13.593 ( -0.812 0.000 0.465) 0.935 13.609 ( -0.124 0.000 1.030) 1.038 14.737 ( -0.295 0.000 -3.426) 3.438 14.856 ( -0.125 0.000 0.504) 0.519 14.882 ( 0.615 0.000 -1.102) 1.262 14.955 ( 0.864 0.000 -3.764) 3.862 15.124 ( 1.123 0.000 -0.505) 1.231 15.127 ( 1.602 0.000 0.387) 1.648 15.274 ( -0.562 0.000 0.005) 0.562 15.455 ( -0.577 0.000 -3.413) 3.462 15.527 ( 0.837 0.000 -4.139) 4.223 15.567 ( -0.686 0.000 -1.620) 1.760 15.616 ( 1.254 0.000 -2.279) 2.601 15.748 ( 0.922 0.000 -0.398) 1.004 15.838 ( 0.141 0.000 -3.186) 3.189 15.895 ( 0.005 0.000 -0.876) 0.876 16.130 ( -1.620 0.000 -0.825) 1.819 16.341 ( 0.132 0.000 -2.735) 2.738 17.240 ( 0.100 0.000 6.450) 6.451 17.288 ( 5.074 0.000 7.372) 8.949 17.355 ( -2.049 0.000 10.405) 10.605 17.498 ( -2.685 0.000 4.209) 4.992 17.601 ( -2.497 0.000 6.966) 7.400 17.714 ( 0.132 0.000 0.674) 0.687 17.907 ( -0.456 0.000 3.423) 3.454 17.953 ( -2.207 0.000 -0.411) 2.245 26.443 ( -0.448 0.000 0.468) 0.648 26.585 ( 0.720 0.000 2.466) 2.569 26.666 ( -0.923 0.000 -0.624) 1.114 26.739 ( 0.570 0.000 -1.531) 1.634 26.748 ( 0.716 0.000 -2.215) 2.328 26.802 ( -0.863 0.000 1.179) 1.461 26.804 ( 1.456 0.000 -0.215) 1.472 27.030 ( 0.116 0.000 -0.165) 0.202 27.051 ( 1.388 0.000 2.262) 2.654 27.376 ( 0.972 0.000 1.005) 1.398 27.408 ( -0.808 0.000 0.745) 1.099 27.532 ( -1.428 0.000 2.784) 3.128 27.580 ( 1.600 0.000 1.071) 1.926 27.704 ( 1.342 0.000 7.262) 7.385 27.729 ( -1.839 0.000 2.698) 3.265 27.813 ( -1.762 0.000 4.951) 5.256 27.977 ( 0.117 0.000 1.040) 1.047 28.162 ( -1.868 0.000 1.822) 2.610 28.332 ( -1.733 0.000 8.678) 8.849 28.505 ( 3.424 0.000 5.474) 6.457 28.674 ( 0.537 0.000 2.655) 2.709 28.844 ( -0.024 0.000 -6.029) 6.029 29.294 ( 2.209 0.000 -3.981) 4.553 29.697 ( -10.826 0.000 -20.298) 23.005 30.489 ( -0.983 0.000 0.589) 1.146 30.719 ( 1.025 0.000 -0.105) 1.030 30.908 ( -7.472 0.000 2.607) 7.914 31.434 ( 10.654 0.000 -9.607) 14.346 31.492 ( -3.740 0.000 0.287) 3.751 31.682 ( 2.611 0.000 7.386) 7.834 31.883 ( 9.270 0.000 6.134) 11.116 32.118 ( -1.926 0.000 -4.716) 5.094 ======================= Grid point 29 (14/63) ======================= q-point: (-0.20 0.00 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( -5.338 0.000 8.960) 10.429 0.275 ( -15.555 0.000 -5.266) 16.422 0.896 ( -2.521 0.000 1.580) 2.976 0.905 ( -11.794 0.000 22.791) 25.662 0.958 ( 3.787 0.000 2.279) 4.420 1.000 ( -1.237 0.000 3.647) 3.851 1.019 ( 0.362 0.000 0.562) 0.669 1.118 ( 0.556 0.000 3.105) 3.155 1.187 ( 2.979 0.000 2.669) 4.000 1.283 ( -3.159 0.000 10.360) 10.831 1.310 ( 1.796 0.000 4.668) 5.002 1.417 ( 0.257 0.000 2.437) 2.451 1.434 ( 1.395 0.000 3.265) 3.550 1.484 ( -4.156 0.000 0.850) 4.242 1.490 ( -1.256 0.000 8.155) 8.251 1.533 ( -0.291 0.000 1.126) 1.163 1.577 ( 0.178 0.000 4.927) 4.930 1.604 ( 0.496 0.000 2.616) 2.663 1.706 ( -1.760 0.000 6.075) 6.324 1.712 ( -0.049 0.000 14.400) 14.401 1.794 ( -4.555 0.000 10.472) 11.420 1.824 ( 1.743 0.000 15.551) 15.648 1.898 ( 0.495 0.000 -1.918) 1.981 1.904 ( -4.215 0.000 8.314) 9.321 1.923 ( 1.146 0.000 -3.381) 3.570 1.958 ( 3.691 0.000 6.363) 7.356 2.056 ( -1.588 0.000 4.227) 4.515 2.252 ( 0.498 0.000 5.926) 5.947 2.272 ( 1.864 0.000 5.511) 5.818 2.375 ( 2.152 0.000 2.585) 3.363 2.443 ( -4.141 0.000 -0.489) 4.170 2.452 ( -6.784 0.000 3.205) 7.503 2.514 ( -0.674 0.000 -4.378) 4.429 2.565 ( 0.274 0.000 0.522) 0.589 2.738 ( -3.149 0.000 -0.524) 3.192 2.757 ( -0.539 0.000 4.038) 4.073 2.977 ( -0.648 0.000 2.590) 2.670 3.006 ( -4.354 0.000 3.401) 5.525 3.022 ( -2.696 0.000 6.560) 7.093 3.087 ( -4.046 0.000 -0.129) 4.048 3.232 ( 1.173 0.000 2.629) 2.879 3.260 ( 4.169 0.000 2.013) 4.630 3.433 ( -1.602 0.000 6.672) 6.861 3.447 ( 1.365 0.000 -1.151) 1.786 3.649 ( -5.055 0.000 -0.798) 5.117 3.739 ( 1.405 0.000 -1.475) 2.037 3.939 ( -0.408 0.000 -6.062) 6.076 3.985 ( -5.721 0.000 -4.592) 7.336 4.060 ( -1.783 0.000 -4.465) 4.808 4.146 ( -1.707 0.000 -2.684) 3.181 4.277 ( -2.830 0.000 -8.177) 8.653 4.365 ( 0.506 0.000 -3.768) 3.801 4.491 ( 8.840 0.000 -9.587) 13.041 4.509 ( -2.471 0.000 0.415) 2.506 4.584 ( -3.947 0.000 1.786) 4.332 4.745 ( -2.955 0.000 -1.543) 3.333 4.792 ( -6.326 0.000 1.349) 6.468 4.855 ( -0.833 0.000 1.357) 1.592 5.015 ( -3.906 0.000 5.788) 6.982 5.071 ( -4.309 0.000 -3.052) 5.281 5.206 ( 0.175 0.000 -9.579) 9.580 5.269 ( 6.516 0.000 -10.062) 11.987 5.355 ( 6.114 0.000 2.468) 6.593 5.401 ( 0.648 0.000 -4.889) 4.932 5.435 ( 4.450 0.000 1.227) 4.616 5.842 ( 3.232 0.000 0.370) 3.253 6.071 ( -0.391 0.000 2.527) 2.557 6.086 ( -3.592 0.000 -13.167) 13.648 6.686 ( 0.947 0.000 1.913) 2.134 6.832 ( 0.147 0.000 0.418) 0.443 7.134 ( -2.382 0.000 3.320) 4.086 7.715 ( 2.464 0.000 0.952) 2.642 7.745 ( -1.065 0.000 -3.504) 3.662 7.808 ( 0.599 0.000 0.717) 0.934 8.034 ( 1.758 0.000 2.318) 2.909 8.127 ( -1.820 0.000 3.419) 3.873 8.928 ( -0.581 0.000 1.374) 1.492 9.347 ( 1.049 0.000 -0.643) 1.230 9.958 ( 0.423 0.000 -2.008) 2.052 9.960 ( -0.041 0.000 -0.504) 0.506 10.411 ( 0.348 0.000 0.670) 0.755 10.512 ( -1.182 0.000 3.349) 3.551 10.698 ( 2.007 0.000 -5.668) 6.013 10.805 ( 0.592 0.000 0.711) 0.925 11.070 ( 1.712 0.000 -3.804) 4.172 11.216 ( 6.806 0.000 -19.153) 20.327 11.278 ( 1.044 0.000 -3.170) 3.337 11.339 ( 3.362 0.000 -17.680) 17.997 11.401 ( 3.869 0.000 -20.032) 20.402 11.580 ( 2.222 0.000 -5.382) 5.823 11.878 ( 2.003 0.000 -7.247) 7.519 12.310 ( -3.159 0.000 5.444) 6.294 12.339 ( -2.325 0.000 -0.273) 2.341 12.770 ( 0.154 0.000 1.805) 1.812 13.095 ( -1.742 0.000 1.957) 2.620 13.222 ( 1.402 0.000 -1.091) 1.776 13.226 ( 1.385 0.000 5.735) 5.900 13.291 ( -0.439 0.000 0.307) 0.536 13.583 ( -0.042 0.000 -0.045) 0.061 13.617 ( 0.489 0.000 0.504) 0.702 14.728 ( 0.557 0.000 -2.542) 2.602 14.844 ( -0.862 0.000 -0.469) 0.981 14.904 ( 1.829 0.000 -2.823) 3.364 14.964 ( 1.429 0.000 -2.546) 2.919 15.155 ( 1.788 0.000 0.719) 1.927 15.173 ( 2.318 0.000 0.520) 2.376 15.257 ( -1.022 0.000 0.005) 1.022 15.431 ( -0.520 0.000 -3.529) 3.567 15.529 ( 0.683 0.000 -3.998) 4.056 15.551 ( 0.095 0.000 0.109) 0.145 15.630 ( 0.725 0.000 -2.976) 3.063 15.766 ( 0.768 0.000 -0.688) 1.031 15.828 ( 0.146 0.000 -3.728) 3.731 15.887 ( -0.422 0.000 -0.495) 0.650 16.086 ( -1.995 0.000 -0.900) 2.189 16.338 ( 0.627 0.000 -3.099) 3.162 17.257 ( -0.908 0.000 6.599) 6.661 17.361 ( -0.988 0.000 10.987) 11.031 17.370 ( -2.952 0.000 -1.075) 3.142 17.494 ( 2.321 0.000 7.486) 7.837 17.554 ( -3.288 0.000 7.974) 8.625 17.712 ( -0.533 0.000 -0.062) 0.537 17.899 ( -2.293 0.000 0.169) 2.299 17.904 ( -0.929 0.000 2.886) 3.032 26.433 ( -0.531 0.000 0.497) 0.727 26.586 ( -1.432 0.000 2.498) 2.879 26.638 ( -1.218 0.000 -0.411) 1.286 26.751 ( 0.264 0.000 -3.025) 3.036 26.755 ( 0.977 0.000 -1.618) 1.890 26.787 ( -0.543 0.000 1.111) 1.237 26.841 ( 1.631 0.000 0.303) 1.659 27.016 ( -1.327 0.000 0.370) 1.377 27.100 ( 1.848 0.000 2.188) 2.864 27.388 ( -1.180 0.000 0.632) 1.339 27.425 ( 3.631 0.000 -0.075) 3.632 27.518 ( -0.162 0.000 0.576) 0.598 27.602 ( 0.038 0.000 -0.392) 0.393 27.717 ( -0.209 0.000 3.859) 3.865 27.809 ( -0.342 0.000 6.275) 6.285 27.828 ( 8.093 0.000 11.076) 13.718 27.990 ( 1.223 0.000 2.393) 2.687 28.107 ( -3.757 0.000 1.522) 4.054 28.316 ( -2.542 0.000 8.279) 8.660 28.568 ( 0.461 0.000 3.223) 3.256 28.676 ( -0.958 0.000 0.282) 0.998 28.842 ( 1.643 0.000 -4.485) 4.777 29.231 ( -20.207 0.000 -26.745) 33.520 29.436 ( 5.574 0.000 2.672) 6.181 30.492 ( 0.863 0.000 1.625) 1.840 30.743 ( 1.178 0.000 -0.383) 1.239 30.771 ( -5.898 0.000 2.219) 6.301 31.427 ( -2.091 0.000 -1.672) 2.677 31.592 ( 7.433 0.000 -8.998) 11.671 31.736 ( -0.276 0.000 8.774) 8.779 32.055 ( -3.517 0.000 -9.520) 10.149 32.175 ( 16.642 0.000 10.558) 19.709 ======================= Grid point 30 (15/63) ======================= q-point: ( 0.00 0.25 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 5.913 11.242 4.595) 13.508 0.422 ( -0.239 10.948 6.314) 12.640 0.856 ( -3.461 1.753 9.582) 10.338 0.862 ( -1.560 -1.407 7.181) 7.482 0.947 ( -1.179 1.203 3.824) 4.179 1.000 ( -0.407 0.291 1.835) 1.902 1.035 ( 1.369 -7.232 0.958) 7.423 1.115 ( -1.371 0.168 1.747) 2.227 1.183 ( -2.447 -5.184 9.049) 10.713 1.215 ( 1.313 -1.902 4.099) 4.705 1.254 ( -3.542 -5.835 3.234) 7.554 1.348 ( -0.527 -1.958 -0.021) 2.028 1.402 ( 0.155 1.165 3.341) 3.541 1.467 ( -0.068 -1.229 -0.106) 1.235 1.501 ( -1.244 2.166 5.681) 6.206 1.531 ( -1.911 3.617 6.717) 7.865 1.596 ( -0.621 1.154 6.991) 7.113 1.676 ( 0.020 -1.954 1.587) 2.518 1.716 ( -0.938 -1.027 10.291) 10.385 1.767 ( -2.587 1.922 14.132) 14.495 1.773 ( -3.911 -4.515 12.881) 14.198 1.790 ( 2.053 -3.401 5.812) 7.040 1.836 ( 0.289 -3.476 -0.445) 3.516 1.905 ( -0.281 -3.018 5.306) 6.111 1.931 ( -1.099 -3.286 5.112) 6.175 2.029 ( -0.782 4.094 1.872) 4.569 2.071 ( 2.486 -4.925 12.138) 13.332 2.141 ( 2.468 -1.236 2.344) 3.621 2.228 ( -1.192 -2.488 5.178) 5.867 2.303 ( -0.495 -4.827 5.686) 7.475 2.451 ( 1.060 1.242 -0.272) 1.656 2.472 ( -1.129 4.306 3.721) 5.802 2.491 ( 0.902 3.175 0.830) 3.403 2.631 ( -1.113 6.663 0.666) 6.788 2.845 ( -0.614 5.764 0.968) 5.877 2.889 ( -2.563 -4.592 2.342) 5.757 2.916 ( 1.361 3.882 0.814) 4.194 2.973 ( -1.214 6.427 2.123) 6.877 3.096 ( -0.228 -3.074 1.513) 3.433 3.126 ( -0.606 5.099 0.480) 5.158 3.238 ( -0.210 -5.711 0.518) 5.738 3.350 ( 3.955 -2.326 2.620) 5.284 3.452 ( 14.703 -2.735 2.716) 15.200 3.492 ( -0.676 1.161 -0.722) 1.525 3.564 ( -4.063 2.539 1.002) 4.895 3.690 ( 2.947 3.884 1.380) 5.067 3.887 ( -4.761 -3.073 -3.908) 6.884 3.979 ( 4.195 5.511 -3.837) 7.917 4.089 ( 4.992 4.729 -10.381) 12.452 4.158 ( -0.763 -2.692 -8.135) 8.603 4.261 ( -1.874 5.216 -3.268) 6.434 4.284 ( 1.287 -6.406 -2.619) 7.040 4.408 ( 0.997 -6.085 -1.016) 6.250 4.474 ( -7.661 -0.296 -3.892) 8.598 4.554 ( 3.081 -2.889 -1.295) 4.418 4.679 ( -1.587 2.470 3.643) 4.679 4.725 ( -4.959 -2.972 3.581) 6.801 4.876 ( 2.054 -2.762 -2.031) 3.997 4.903 ( -0.367 5.310 -3.685) 6.474 4.987 ( -3.388 0.971 2.625) 4.394 5.086 ( -2.462 -2.378 4.469) 5.629 5.164 ( -2.489 -5.705 -1.780) 6.474 5.389 ( 3.054 1.983 -6.830) 7.739 5.470 ( 7.140 -2.518 -0.858) 7.620 5.579 ( 1.077 3.669 0.599) 3.871 5.657 ( -6.580 -0.320 5.385) 8.509 5.805 ( -3.327 -4.827 1.586) 6.074 5.982 ( 0.046 -9.167 0.099) 9.168 6.801 ( -0.095 3.291 -2.056) 3.881 6.835 ( -0.232 5.058 -0.141) 5.066 7.255 ( 1.165 9.390 4.019) 10.280 7.718 ( 0.951 -2.741 0.012) 2.901 7.763 ( -1.747 -0.500 1.358) 2.269 7.879 ( 0.295 6.758 -2.700) 7.283 7.942 ( 0.294 -7.795 2.575) 8.214 8.167 ( -0.229 -0.992 0.056) 1.020 9.036 ( -0.674 11.586 1.455) 11.696 9.476 ( 0.486 9.971 -2.469) 10.284 9.770 ( -1.310 -12.318 -1.967) 12.543 9.995 ( 0.917 -5.671 -3.753) 6.862 10.456 ( 0.622 1.681 1.767) 2.517 10.505 ( -0.818 0.725 2.911) 3.109 10.726 ( 0.880 -0.426 -4.238) 4.350 10.767 ( -1.158 -2.280 -0.954) 2.730 11.106 ( -1.928 4.858 -4.123) 6.657 11.286 ( 3.716 2.328 -18.962) 19.462 11.330 ( 4.313 0.662 -8.658) 9.695 11.357 ( 3.941 1.369 -13.937) 14.548 11.391 ( 3.166 -3.093 -18.490) 19.012 11.495 ( -0.339 -7.283 -10.063) 12.427 11.869 ( 0.325 2.663 -0.942) 2.844 12.238 ( 0.362 -5.582 -0.678) 5.635 12.470 ( -1.266 11.002 2.635) 11.384 12.765 ( 0.757 -2.376 2.139) 3.285 13.057 ( -0.435 -1.637 1.935) 2.571 13.157 ( -0.415 -4.812 2.206) 5.310 13.260 ( -1.369 1.143 1.885) 2.595 13.304 ( -0.121 -0.198 2.061) 2.074 13.615 ( 0.780 1.704 0.346) 1.906 13.637 ( 0.329 0.592 0.055) 0.679 14.803 ( 0.659 2.982 -3.833) 4.901 14.839 ( 0.075 0.935 -1.765) 1.999 14.909 ( 1.173 -0.911 -2.678) 3.062 14.930 ( 0.038 -2.799 -0.596) 2.862 15.135 ( -2.083 -1.163 -0.450) 2.428 15.171 ( -0.954 -1.951 0.058) 2.173 15.355 ( 1.015 5.004 -2.949) 5.897 15.426 ( 0.818 0.384 -2.687) 2.835 15.512 ( 0.909 1.548 -1.677) 2.456 15.608 ( -0.197 -0.092 -6.387) 6.391 15.659 ( -0.535 3.669 -3.825) 5.328 15.779 ( 0.381 1.053 -1.065) 1.545 15.833 ( -0.110 -0.658 -2.604) 2.688 15.930 ( 0.112 4.952 -2.543) 5.568 16.004 ( 4.368 -8.413 0.327) 9.485 16.239 ( 0.885 -7.805 -3.074) 8.435 17.122 ( -6.520 2.764 8.608) 11.146 17.254 ( -1.409 -0.484 7.356) 7.505 17.391 ( -1.746 0.613 9.837) 10.010 17.418 ( -1.298 -2.018 7.607) 7.977 17.609 ( -1.587 0.433 7.164) 7.350 17.758 ( -1.398 1.871 0.177) 2.342 17.830 ( 1.520 -0.852 3.841) 4.218 17.955 ( 1.052 0.786 0.893) 1.588 26.456 ( -0.001 2.076 0.330) 2.102 26.550 ( -0.930 -1.023 0.968) 1.688 26.631 ( -0.203 1.097 -0.938) 1.458 26.700 ( 0.069 -1.890 -1.655) 2.513 26.792 ( -0.106 1.558 -0.675) 1.701 26.818 ( 0.188 1.669 0.958) 1.933 26.855 ( -0.165 -0.279 0.275) 0.425 26.952 ( -0.553 -2.502 -0.292) 2.579 27.229 ( -0.449 5.818 -3.539) 6.825 27.373 ( -0.983 -0.377 -0.206) 1.073 27.494 ( 3.427 -1.707 0.094) 3.830 27.537 ( -0.203 -1.329 1.761) 2.216 27.572 ( 0.590 1.129 -0.470) 1.358 27.695 ( -2.197 -2.937 4.465) 5.778 27.816 ( -0.781 0.276 4.146) 4.228 27.877 ( -10.638 0.322 -0.831) 10.676 28.015 ( 0.180 2.243 1.542) 2.728 28.123 ( 5.817 -3.456 7.174) 9.861 28.234 ( -5.129 3.692 3.626) 7.286 28.384 ( -0.554 0.356 7.960) 7.987 28.519 ( -1.743 -3.967 4.608) 6.325 28.670 ( -2.211 -7.216 -8.132) 11.094 29.288 ( 3.731 12.943 -7.575) 15.454 29.640 ( 15.564 -9.871 3.144) 18.697 30.637 ( -0.744 1.639 -3.460) 3.900 30.723 ( -0.837 -1.666 -0.927) 2.082 30.991 ( 3.654 13.616 -7.729) 16.078 31.314 ( -0.194 -6.806 -1.344) 6.941 31.695 ( 0.233 4.960 -0.649) 5.008 31.741 ( -2.630 2.507 -1.705) 4.013 31.941 ( -8.620 6.184 -5.143) 11.789 32.294 ( 0.860 -9.847 2.092) 10.103 ======================= Grid point 31 (16/63) ======================= q-point: ( 0.20 0.25 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 1.367 5.204 8.745) 10.268 0.533 ( 7.718 2.391 9.045) 12.128 0.859 ( -1.309 -2.021 4.021) 4.687 0.873 ( 1.960 -1.499 1.445) 2.860 0.941 ( -2.885 0.094 3.252) 4.348 0.992 ( -0.555 -1.955 2.872) 3.519 1.029 ( -0.242 -3.370 2.961) 4.492 1.097 ( -1.239 0.655 1.206) 1.849 1.173 ( -1.941 -3.841 7.883) 8.981 1.234 ( 2.777 -1.355 3.049) 4.341 1.262 ( 0.099 -2.254 5.080) 5.559 1.343 ( -0.063 0.830 -0.089) 0.837 1.392 ( -1.931 1.811 3.409) 4.316 1.461 ( -0.621 -0.492 3.044) 3.146 1.498 ( -1.247 1.485 6.752) 7.025 1.538 ( -1.702 2.772 10.900) 11.375 1.585 ( -1.364 1.461 3.790) 4.285 1.671 ( -0.616 -1.841 1.769) 2.626 1.699 ( -2.212 -4.727 7.811) 9.394 1.744 ( -2.215 -4.191 8.726) 9.931 1.774 ( -4.372 3.841 16.178) 17.193 1.820 ( -1.654 -3.450 3.368) 5.097 1.869 ( 3.184 -1.916 -0.765) 3.794 1.901 ( -0.916 -2.332 12.451) 12.701 1.960 ( 0.363 -0.413 3.274) 3.320 2.000 ( -1.858 -2.407 2.224) 3.767 2.117 ( -2.331 1.739 8.629) 9.106 2.170 ( -0.188 -4.778 5.188) 7.056 2.211 ( -0.872 -2.203 6.359) 6.786 2.302 ( -2.486 -4.464 7.453) 9.036 2.440 ( -1.198 3.675 0.645) 3.918 2.484 ( 0.436 1.759 3.279) 3.746 2.513 ( -0.199 2.331 0.925) 2.515 2.654 ( 2.573 1.460 1.011) 3.126 2.813 ( -1.248 1.776 0.018) 2.171 2.891 ( 0.283 2.507 3.069) 3.973 2.927 ( -0.071 1.129 1.707) 2.048 2.975 ( 1.129 3.604 -0.791) 3.858 3.059 ( -2.891 -0.618 3.038) 4.239 3.145 ( 1.247 1.469 0.315) 1.952 3.227 ( 0.830 -2.979 3.126) 4.397 3.383 ( 1.068 0.233 1.660) 1.987 3.431 ( -4.966 0.550 3.157) 5.910 3.490 ( -3.299 2.002 3.428) 5.162 3.724 ( -2.287 2.961 -1.537) 4.045 3.802 ( 6.623 0.360 -2.191) 6.985 3.863 ( 8.310 -4.188 -1.474) 9.422 4.005 ( 0.652 1.379 -5.566) 5.771 4.110 ( 2.372 -3.500 -9.736) 10.615 4.171 ( -2.951 -3.426 -3.712) 5.850 4.280 ( -1.063 0.133 0.409) 1.147 4.333 ( 4.047 -2.207 -3.760) 5.949 4.444 ( 13.084 -2.012 -12.829) 18.434 4.494 ( 5.255 -0.283 -0.808) 5.324 4.580 ( 0.429 -2.233 -3.193) 3.920 4.662 ( 0.911 -4.491 1.596) 4.852 4.756 ( 7.539 1.345 -2.815) 8.159 4.888 ( 0.722 4.511 -3.692) 5.874 4.965 ( 0.727 1.933 1.608) 2.618 4.976 ( 5.226 -1.758 -1.229) 5.649 5.048 ( -0.808 -2.765 2.375) 3.733 5.159 ( 2.029 -1.099 -3.462) 4.161 5.390 ( -2.284 2.542 -2.810) 4.425 5.488 ( -10.381 0.087 5.930) 11.956 5.549 ( -0.111 1.211 -1.038) 1.599 5.616 ( 4.063 -3.599 2.087) 5.815 5.776 ( -0.436 -0.756 -0.716) 1.129 6.007 ( 1.865 -8.882 0.057) 9.076 6.773 ( -3.364 8.793 -1.952) 9.615 6.805 ( -0.638 5.043 -0.357) 5.096 7.296 ( 1.086 6.433 6.200) 9.000 7.694 ( -5.094 -2.050 1.411) 5.670 7.733 ( 0.676 -1.792 -0.679) 2.032 7.873 ( 0.090 6.932 -2.635) 7.416 7.925 ( -1.812 -10.848 0.270) 11.001 8.166 ( 0.131 -0.997 0.086) 1.009 9.038 ( 0.342 10.621 1.399) 10.718 9.476 ( 0.398 11.059 -2.341) 11.311 9.737 ( -0.912 -13.587 -0.833) 13.643 9.990 ( -0.032 -5.248 -2.870) 5.981 10.472 ( -0.202 0.633 2.761) 2.840 10.498 ( -0.568 1.270 2.458) 2.824 10.727 ( 0.720 -0.725 -2.875) 3.052 10.738 ( -0.990 -1.565 -2.173) 2.855 11.064 ( -0.117 5.956 -6.591) 8.884 11.258 ( -0.021 2.999 -17.301) 17.559 11.340 ( 2.657 -0.215 -18.343) 18.536 11.385 ( 3.182 -2.812 -19.787) 20.238 11.399 ( -1.587 -1.505 4.288) 4.814 11.473 ( 4.358 -2.429 -16.274) 17.021 11.865 ( -0.217 2.296 -1.364) 2.679 12.240 ( 0.259 -6.816 -0.806) 6.868 12.448 ( -1.439 8.407 3.589) 9.253 12.760 ( -2.222 -3.831 2.306) 4.993 13.077 ( 1.492 -0.646 2.066) 2.629 13.179 ( 2.083 -1.969 0.382) 2.892 13.232 ( -1.641 1.649 1.584) 2.815 13.296 ( -1.099 -0.808 1.203) 1.819 13.613 ( -0.978 0.891 1.154) 1.756 13.637 ( -0.540 0.583 0.752) 1.094 14.794 ( 0.134 2.123 -3.145) 3.796 14.850 ( 1.245 1.251 -1.919) 2.607 14.907 ( -0.176 -0.608 -2.040) 2.136 14.940 ( 0.421 -1.225 0.350) 1.342 15.065 ( -2.998 -1.191 -0.371) 3.247 15.131 ( -2.420 -2.185 -0.179) 3.265 15.373 ( 1.491 5.038 -3.244) 6.175 15.454 ( 2.572 0.106 -2.952) 3.917 15.532 ( 1.473 1.669 -2.942) 3.689 15.581 ( -0.201 1.701 -2.655) 3.159 15.620 ( -1.353 2.982 -3.415) 4.731 15.772 ( -0.739 1.157 -0.840) 1.610 15.826 ( 0.412 -1.327 -1.978) 2.417 15.933 ( 0.979 4.595 -2.003) 5.107 16.052 ( 0.054 -9.282 -0.438) 9.293 16.246 ( 0.694 -7.783 -2.710) 8.271 17.128 ( 1.967 4.526 6.285) 7.991 17.281 ( 1.718 3.237 6.580) 7.532 17.379 ( -1.738 -1.548 8.949) 9.247 17.421 ( -1.368 -2.408 7.666) 8.151 17.596 ( -2.181 -0.666 7.214) 7.566 17.754 ( 0.917 1.422 0.221) 1.706 17.870 ( 0.527 0.669 3.766) 3.861 17.999 ( 2.304 1.566 0.672) 2.866 26.462 ( 0.422 2.064 0.366) 2.138 26.539 ( -0.096 -0.304 0.110) 0.338 26.637 ( 1.179 0.589 -0.967) 1.635 26.701 ( 0.243 -2.090 -1.301) 2.474 26.782 ( -0.720 1.308 -0.752) 1.672 26.821 ( 0.030 1.489 1.143) 1.877 26.835 ( -1.556 -0.060 0.066) 1.558 26.955 ( 0.923 -2.290 -0.713) 2.570 27.175 ( -2.964 5.197 -2.105) 6.343 27.341 ( -1.925 -2.649 -0.009) 3.275 27.504 ( -2.985 1.220 1.718) 3.654 27.531 ( -1.464 -0.915 3.583) 3.977 27.573 ( -0.246 2.086 0.305) 2.123 27.657 ( 1.726 -0.051 3.085) 3.535 27.787 ( -1.437 1.725 2.254) 3.182 27.807 ( -1.331 -1.594 5.549) 5.925 28.017 ( 0.471 2.330 1.403) 2.760 28.182 ( 0.463 9.510 0.813) 9.556 28.267 ( 3.117 -5.407 6.211) 8.805 28.411 ( 0.542 -2.993 1.883) 3.578 28.515 ( -0.629 -7.346 7.180) 10.291 28.629 ( 0.296 -7.888 -4.680) 9.177 29.375 ( 5.806 13.967 -6.057) 16.293 29.898 ( 6.665 -14.141 -3.378) 15.994 30.584 ( -2.746 1.927 -2.086) 3.950 30.693 ( -1.465 -2.576 -1.242) 3.213 31.054 ( 5.391 10.380 -7.308) 13.792 31.303 ( -1.464 -4.818 1.450) 5.239 31.572 ( -6.449 6.650 -0.529) 9.279 31.729 ( -1.942 1.187 -2.349) 3.271 31.783 ( -2.804 9.671 0.836) 10.104 32.230 ( -5.232 -7.577 0.182) 9.210 ======================= Grid point 32 (17/63) ======================= q-point: ( 0.40 0.25 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.002 6.146 1.450) 6.315 0.702 ( 3.830 -2.423 5.168) 6.873 0.818 ( -2.041 4.838 3.658) 6.400 0.855 ( -5.386 1.574 2.846) 6.292 0.902 ( 1.120 -5.617 -0.002) 5.727 0.973 ( -3.007 -2.327 7.688) 8.577 1.050 ( 1.101 -1.704 5.050) 5.442 1.128 ( 1.555 -2.958 -0.426) 3.369 1.167 ( -0.171 -6.238 5.867) 8.565 1.254 ( -1.192 -0.560 4.311) 4.508 1.327 ( 0.676 1.398 1.247) 1.992 1.358 ( 4.320 2.931 0.876) 5.294 1.371 ( -0.762 1.184 4.750) 4.954 1.445 ( -2.962 0.379 3.956) 4.957 1.501 ( 0.443 2.614 6.106) 6.657 1.543 ( -0.261 0.841 12.860) 12.890 1.614 ( 1.131 -0.504 6.416) 6.535 1.642 ( -6.651 -1.253 9.034) 11.288 1.669 ( -1.244 0.130 -0.670) 1.419 1.722 ( -1.827 1.357 5.566) 6.013 1.751 ( -1.905 1.611 10.092) 10.396 1.807 ( -1.115 -6.797 6.938) 9.776 1.875 ( -2.723 0.906 -0.439) 2.903 1.892 ( -2.162 -1.777 8.345) 8.802 1.974 ( -2.126 -3.298 7.344) 8.327 2.015 ( 1.723 -7.570 7.099) 10.520 2.103 ( -0.792 3.888 2.771) 4.840 2.153 ( -1.859 0.516 3.227) 3.760 2.199 ( -4.046 -3.075 7.769) 9.284 2.260 ( -3.584 -1.281 8.773) 9.563 2.438 ( 0.412 -1.005 4.411) 4.542 2.470 ( -1.724 -1.515 1.774) 2.901 2.525 ( 0.177 2.488 1.322) 2.823 2.710 ( 1.453 -0.531 -0.093) 1.549 2.793 ( -1.100 -2.183 -0.680) 2.537 2.861 ( -1.079 0.011 4.398) 4.528 2.953 ( 0.832 1.349 1.728) 2.345 3.018 ( 2.288 0.346 0.325) 2.337 3.032 ( -0.538 5.567 3.561) 6.630 3.181 ( 1.812 -0.222 0.696) 1.953 3.273 ( 0.942 -0.421 1.180) 1.568 3.323 ( -6.058 1.004 4.352) 7.526 3.413 ( -0.885 2.571 1.637) 3.174 3.427 ( -1.520 0.890 3.697) 4.095 3.695 ( 0.817 2.178 -2.644) 3.522 3.879 ( 1.364 1.485 -1.763) 2.678 3.948 ( -0.068 -5.076 -5.811) 7.716 3.980 ( 1.180 1.051 -3.683) 4.008 4.113 ( -0.068 0.538 -3.241) 3.286 4.221 ( 6.331 -2.421 -7.383) 10.022 4.267 ( 0.370 -1.315 -0.305) 1.400 4.334 ( 0.182 -1.417 -4.868) 5.073 4.523 ( -1.537 -0.438 -4.453) 4.731 4.559 ( 1.831 -1.465 -2.018) 3.094 4.635 ( 4.512 0.060 -0.378) 4.529 4.762 ( 5.959 -0.340 -0.223) 5.973 4.863 ( 2.888 4.241 -5.051) 7.200 4.924 ( 2.670 -4.610 -7.540) 9.232 5.015 ( 2.816 1.187 0.868) 3.177 5.025 ( 1.782 -0.404 1.920) 2.650 5.091 ( 3.287 -5.270 -2.808) 6.817 5.212 ( 3.539 -0.540 -1.541) 3.897 5.270 ( -7.720 1.855 1.232) 8.034 5.313 ( -5.759 -1.296 -0.494) 5.924 5.526 ( -3.823 3.342 3.006) 5.901 5.693 ( 2.110 -5.304 2.427) 6.203 5.798 ( 4.135 1.902 -4.083) 6.114 6.041 ( 1.158 -6.365 0.549) 6.493 6.701 ( -1.537 7.127 -2.350) 7.660 6.803 ( 0.395 4.199 -1.019) 4.339 7.320 ( -2.021 4.730 6.849) 8.566 7.597 ( -3.181 -5.023 1.130) 6.052 7.744 ( 0.496 -2.548 -0.242) 2.607 7.869 ( 0.398 6.811 -2.213) 7.173 7.899 ( -0.548 -9.512 -0.327) 9.533 8.172 ( 0.326 -1.485 0.090) 1.523 9.053 ( 0.483 10.601 1.662) 10.741 9.476 ( 0.382 11.655 -2.267) 11.880 9.733 ( 0.622 -13.467 0.213) 13.483 9.979 ( -0.115 -4.648 -2.418) 5.241 10.463 ( -1.213 1.949 2.557) 3.436 10.501 ( -0.111 -0.082 2.338) 2.342 10.712 ( -0.382 0.107 -3.962) 3.982 10.743 ( 1.300 -1.067 -0.826) 1.874 11.061 ( 2.241 6.283 -7.310) 9.896 11.199 ( 0.685 3.467 -15.924) 16.312 11.327 ( 1.925 -0.770 -16.343) 16.474 11.352 ( -1.994 -0.945 -2.575) 3.392 11.382 ( 3.384 -1.835 -21.392) 21.736 11.520 ( 3.351 -2.214 -8.698) 9.581 11.856 ( 0.285 1.649 -3.519) 3.897 12.246 ( 0.332 -9.509 -0.788) 9.547 12.438 ( -0.877 5.351 4.439) 7.008 12.716 ( -2.120 -4.013 3.033) 5.459 13.122 ( 1.503 1.471 2.537) 3.295 13.203 ( -2.461 1.875 3.624) 4.766 13.226 ( 2.821 0.734 -2.314) 3.721 13.283 ( 0.078 -0.362 -1.150) 1.208 13.597 ( -0.762 -0.206 1.449) 1.650 13.617 ( -1.672 -0.298 1.285) 2.129 14.788 ( 0.271 2.245 -3.359) 4.050 14.867 ( 0.833 -0.108 -1.542) 1.756 14.902 ( -0.144 2.299 0.110) 2.306 14.936 ( -0.132 -0.678 -1.865) 1.989 15.039 ( 0.228 -3.439 0.178) 3.451 15.090 ( -1.049 -2.312 0.147) 2.543 15.386 ( 0.840 5.705 -3.534) 6.763 15.489 ( 1.455 0.692 -3.866) 4.188 15.543 ( 0.883 1.294 -4.738) 4.991 15.578 ( -0.409 4.190 1.059) 4.341 15.598 ( 0.803 -1.095 -3.754) 3.992 15.753 ( -0.511 1.013 -0.881) 1.436 15.830 ( 0.477 -1.196 -2.060) 2.429 15.948 ( 0.896 4.879 -1.980) 5.342 16.034 ( -1.193 -10.028 -0.142) 10.100 16.246 ( 0.245 -7.570 -2.475) 7.968 17.183 ( 1.287 2.490 7.069) 7.605 17.313 ( -1.055 4.659 5.022) 6.931 17.400 ( -0.709 1.819 8.814) 9.027 17.438 ( 1.728 -7.032 6.244) 9.562 17.564 ( -3.290 0.305 7.171) 7.896 17.786 ( 1.605 1.549 0.801) 2.370 17.878 ( -0.945 2.025 3.893) 4.489 18.031 ( 0.441 1.949 -0.077) 2.000 26.471 ( 0.200 2.094 0.349) 2.132 26.550 ( 0.951 -0.542 0.636) 1.265 26.667 ( 1.781 0.371 -1.016) 2.084 26.702 ( 0.503 -1.774 -1.073) 2.133 26.759 ( -1.091 0.595 -0.619) 1.389 26.792 ( -1.689 -0.837 -0.097) 1.887 26.845 ( 1.273 2.766 0.118) 3.048 26.963 ( -0.324 -2.180 0.324) 2.227 27.134 ( -0.163 4.604 -0.963) 4.706 27.310 ( -0.759 -3.773 0.332) 3.863 27.464 ( -1.490 2.351 2.211) 3.554 27.513 ( -1.055 -1.272 2.975) 3.404 27.582 ( 0.237 2.367 1.761) 2.959 27.706 ( 1.134 -0.306 4.504) 4.654 27.752 ( -2.010 0.462 1.695) 2.669 27.807 ( -1.270 -1.681 6.018) 6.376 28.042 ( 1.388 4.504 -1.055) 4.830 28.206 ( 1.128 5.759 -0.672) 5.906 28.327 ( 0.199 0.001 8.794) 8.797 28.423 ( 0.824 -2.145 4.072) 4.676 28.524 ( -1.065 -11.138 5.052) 12.277 28.643 ( 1.969 -8.985 -1.507) 9.320 29.441 ( 2.234 11.478 -8.066) 14.206 29.867 ( -5.885 -7.780 -10.669) 14.457 30.542 ( -0.741 1.928 0.432) 2.110 30.670 ( -0.147 -3.240 -0.446) 3.274 31.145 ( 1.662 10.104 0.487) 10.251 31.273 ( 1.448 -0.475 -3.503) 3.821 31.519 ( -0.019 0.073 -0.408) 0.415 31.667 ( -1.365 1.171 2.841) 3.362 31.805 ( 3.208 6.192 -1.398) 7.112 32.131 ( -3.751 -5.639 -1.468) 6.930 ======================= Grid point 33 (18/63) ======================= q-point: (-0.40 0.25 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -6.155 7.406 -3.136) 10.127 0.653 ( -6.704 3.701 2.307) 7.998 0.812 ( 1.850 -2.136 2.595) 3.836 0.885 ( 3.520 1.095 2.588) 4.504 0.915 ( -1.916 -4.647 0.623) 5.065 0.970 ( 2.323 3.406 9.099) 9.989 1.068 ( -1.073 -0.812 4.279) 4.486 1.123 ( -1.208 -2.358 1.999) 3.319 1.217 ( 1.429 -5.703 4.288) 7.277 1.270 ( 1.833 0.244 4.086) 4.485 1.330 ( -0.894 -2.941 2.409) 3.906 1.351 ( -5.120 0.911 6.457) 8.291 1.415 ( -2.424 0.895 2.797) 3.808 1.428 ( 0.903 1.263 4.728) 4.977 1.508 ( -4.235 2.971 11.007) 12.162 1.556 ( -1.286 4.175 1.545) 4.634 1.571 ( 0.256 1.854 4.905) 5.250 1.627 ( 1.167 -0.415 12.229) 12.291 1.682 ( 0.977 0.290 0.478) 1.125 1.728 ( 0.244 0.330 3.268) 3.294 1.743 ( -1.970 -0.820 8.461) 8.726 1.795 ( -2.188 -4.804 7.885) 9.489 1.847 ( -0.567 -0.833 8.177) 8.239 1.876 ( -2.007 -4.336 7.113) 8.569 1.925 ( -3.858 -3.173 4.058) 6.436 2.043 ( -2.159 -6.597 2.864) 7.509 2.069 ( -2.845 4.476 1.390) 5.483 2.116 ( -1.970 -2.859 6.170) 7.080 2.195 ( 2.229 -3.508 5.463) 6.864 2.225 ( -3.187 -3.470 5.870) 7.527 2.438 ( -1.461 -1.867 2.552) 3.484 2.463 ( 0.191 -2.045 5.350) 5.730 2.538 ( -0.098 3.644 1.451) 3.923 2.651 ( -2.531 2.512 -0.789) 3.653 2.835 ( 1.034 3.121 1.782) 3.739 2.888 ( 0.794 -0.244 3.415) 3.514 2.970 ( 1.215 -1.908 2.943) 3.712 3.041 ( -0.620 4.343 2.831) 5.221 3.044 ( -0.576 -0.820 1.477) 1.784 3.196 ( -1.371 1.125 1.357) 2.233 3.225 ( -0.873 1.912 -0.769) 2.238 3.257 ( -3.802 1.422 2.456) 4.744 3.403 ( 1.380 -1.245 0.483) 1.920 3.434 ( -1.270 -0.356 4.581) 4.767 3.710 ( 0.864 1.464 -2.457) 2.987 3.847 ( -4.300 5.192 -1.795) 6.976 3.922 ( 0.972 -4.743 -6.272) 7.923 3.991 ( 0.134 2.297 -2.726) 3.567 4.106 ( 0.816 -0.436 -3.665) 3.780 4.235 ( -0.861 1.670 -1.716) 2.545 4.306 ( -1.643 -3.843 -3.225) 5.279 4.328 ( 3.349 -5.087 -6.698) 9.053 4.462 ( -1.597 4.134 -6.511) 7.876 4.541 ( -3.411 -2.097 -2.238) 4.587 4.656 ( -1.517 2.717 -0.257) 3.123 4.827 ( -2.507 0.030 -0.331) 2.529 4.888 ( 0.061 2.671 -0.294) 2.687 4.914 ( 0.209 -0.117 -2.038) 2.052 5.022 ( -2.140 -2.471 6.938) 7.670 5.076 ( 3.883 -2.392 -6.587) 8.012 5.122 ( -0.813 -8.270 -3.132) 8.880 5.219 ( 2.467 -0.568 -0.250) 2.544 5.247 ( 0.637 3.923 -0.988) 4.096 5.283 ( 2.435 -1.994 -2.584) 4.072 5.452 ( -1.306 4.728 1.967) 5.285 5.728 ( 0.558 -8.104 1.423) 8.247 5.875 ( 3.300 -1.376 -1.964) 4.080 6.051 ( -0.685 -4.603 0.904) 4.740 6.715 ( 3.258 3.958 -1.712) 5.405 6.812 ( 0.804 1.514 -1.748) 2.449 7.257 ( -4.429 5.295 4.755) 8.382 7.611 ( 2.975 -3.248 2.202) 4.924 7.749 ( 0.019 -3.917 0.463) 3.945 7.873 ( 0.556 5.372 -1.596) 5.632 7.899 ( 0.534 -5.600 0.068) 5.626 8.176 ( 0.040 -1.780 0.070) 1.782 9.062 ( -0.351 11.604 1.895) 11.763 9.474 ( 0.223 10.718 -2.283) 10.960 9.757 ( 1.376 -11.961 0.561) 12.053 9.972 ( 0.293 -4.424 -2.436) 5.059 10.449 ( -0.840 2.694 1.679) 3.283 10.506 ( -0.240 -0.514 2.585) 2.647 10.699 ( 0.734 0.675 -4.483) 4.593 10.769 ( 1.226 -1.228 0.051) 1.736 11.104 ( 3.849 6.259 -5.701) 9.300 11.195 ( 4.435 3.234 -16.941) 17.808 11.287 ( -1.854 -0.680 -3.774) 4.260 11.333 ( 3.121 0.189 -17.604) 17.879 11.379 ( 3.630 -1.760 -21.371) 21.748 11.537 ( 0.842 -3.989 -5.979) 7.236 11.855 ( 0.888 1.534 -4.267) 4.620 12.239 ( -0.593 -9.118 -0.475) 9.150 12.448 ( 0.281 5.308 4.222) 6.788 12.712 ( 0.528 -3.680 2.963) 4.754 13.133 ( -2.114 0.125 2.546) 3.311 13.164 ( -0.877 1.422 2.205) 2.767 13.277 ( 0.324 2.792 0.274) 2.824 13.283 ( 1.582 -0.186 -1.262) 2.033 13.585 ( -1.041 -0.449 0.819) 1.399 13.602 ( 0.469 -0.685 0.848) 1.187 14.783 ( 0.492 2.914 -3.419) 4.519 14.876 ( 0.691 -0.901 -1.342) 1.758 14.888 ( -1.060 2.378 -0.344) 2.627 14.937 ( 0.639 -0.888 -2.910) 3.108 15.058 ( 1.583 -2.798 1.249) 3.449 15.105 ( 2.120 -2.047 0.679) 3.025 15.382 ( -0.052 5.852 -3.429) 6.782 15.479 ( -0.880 1.590 -3.979) 4.374 15.531 ( -0.385 1.398 -3.427) 3.722 15.582 ( 1.115 1.362 -2.690) 3.215 15.614 ( 1.430 0.444 -1.294) 1.978 15.753 ( 0.787 0.776 -0.954) 1.460 15.830 ( 0.313 -1.061 -2.419) 2.659 15.948 ( -0.324 4.003 -1.763) 4.386 16.010 ( -1.079 -9.200 -0.852) 9.302 16.241 ( 0.113 -7.395 -2.672) 7.863 17.232 ( 0.766 0.928 8.326) 8.413 17.300 ( -1.894 1.377 5.804) 6.258 17.402 ( -1.350 -1.051 5.885) 6.129 17.481 ( -1.818 -7.678 7.585) 10.945 17.537 ( -0.309 6.615 7.518) 10.019 17.811 ( 0.357 2.117 0.782) 2.285 17.859 ( -2.183 1.158 4.127) 4.811 18.012 ( -2.027 1.680 -0.884) 2.777 26.470 ( -0.409 2.179 0.395) 2.252 26.570 ( 0.223 -1.518 1.719) 2.304 26.676 ( -0.890 0.911 -0.535) 1.382 26.719 ( 0.823 -1.275 -0.806) 1.718 26.742 ( 0.477 0.343 -1.264) 1.394 26.785 ( 1.237 -1.032 -0.331) 1.645 26.855 ( -0.509 2.826 -0.277) 2.885 26.963 ( 0.446 -2.607 0.637) 2.721 27.153 ( 2.089 4.995 -0.650) 5.454 27.322 ( 1.882 -3.242 -0.406) 3.770 27.443 ( -1.281 1.560 1.736) 2.662 27.522 ( 0.640 -2.433 3.740) 4.507 27.580 ( -1.011 2.970 0.648) 3.204 27.716 ( -1.712 -1.221 2.296) 3.113 27.756 ( 1.635 2.494 8.159) 8.687 27.800 ( -1.061 -0.711 5.872) 6.009 28.055 ( 0.404 5.311 -1.789) 5.619 28.193 ( -2.309 3.076 -0.248) 3.854 28.341 ( -1.257 0.731 7.900) 8.033 28.483 ( 0.933 -3.165 7.011) 7.749 28.502 ( -1.325 -10.361 3.973) 11.175 28.694 ( 3.048 -8.436 0.001) 8.970 29.405 ( -1.960 6.578 -8.742) 11.114 29.648 ( -10.023 -3.936 -16.613) 19.798 30.561 ( 2.474 3.488 -0.174) 4.280 30.687 ( 1.704 -2.631 -0.108) 3.136 31.072 ( -5.813 11.980 0.608) 13.330 31.355 ( 2.768 -4.232 -2.141) 5.492 31.523 ( 2.839 2.636 -2.430) 4.573 31.727 ( 4.036 1.174 4.183) 5.930 31.904 ( 7.092 2.072 2.411) 7.772 32.078 ( -0.660 -3.387 -3.262) 4.749 ======================= Grid point 34 (19/63) ======================= q-point: (-0.20 0.25 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -4.125 11.163 1.477) 11.992 0.509 ( -7.288 12.381 1.109) 14.409 0.867 ( -1.140 -3.675 0.675) 3.906 0.887 ( 0.970 -4.380 4.402) 6.285 0.944 ( 2.923 -5.276 0.664) 6.068 1.037 ( -4.772 1.647 5.534) 7.491 1.044 ( -3.622 7.491 5.632) 10.047 1.102 ( 0.905 -0.921 3.906) 4.114 1.183 ( -2.146 0.440 3.711) 4.309 1.232 ( -5.114 -1.579 14.081) 15.064 1.326 ( -3.230 -7.982 2.149) 8.875 1.350 ( 1.244 -4.453 1.904) 5.001 1.359 ( 1.030 0.860 3.452) 3.703 1.460 ( 0.623 1.648 0.054) 1.762 1.513 ( -0.373 3.353 6.446) 7.275 1.543 ( -1.427 1.566 5.682) 6.064 1.593 ( -1.107 2.073 5.052) 5.572 1.666 ( -0.124 -1.596 4.210) 4.504 1.695 ( -0.928 0.265 7.409) 7.471 1.739 ( -0.067 -2.107 8.448) 8.707 1.769 ( 0.818 1.152 5.486) 5.665 1.799 ( -1.144 -1.912 12.678) 12.873 1.824 ( -2.513 -6.323 7.127) 9.853 1.895 ( -0.002 -1.665 -1.526) 2.259 1.918 ( 1.583 -1.292 9.328) 9.549 2.001 ( -2.708 -0.882 7.911) 8.408 2.045 ( 2.873 -0.866 1.733) 3.465 2.082 ( -3.391 -4.467 1.599) 5.832 2.206 ( 1.096 -4.404 1.905) 4.922 2.274 ( 1.782 -5.799 7.358) 9.537 2.434 ( -0.068 -0.450 1.580) 1.644 2.484 ( -0.533 0.383 5.428) 5.467 2.509 ( -2.114 3.884 1.052) 4.545 2.643 ( 0.265 8.563 0.494) 8.581 2.832 ( -0.243 6.650 0.865) 6.710 2.886 ( -0.857 3.214 2.641) 4.247 2.961 ( -3.695 -4.544 2.472) 6.357 3.013 ( -2.867 4.408 2.311) 5.744 3.061 ( 2.228 -1.469 2.072) 3.378 3.167 ( -2.617 0.658 -0.227) 2.708 3.197 ( 0.156 3.261 0.641) 3.327 3.253 ( 1.636 0.134 2.732) 3.187 3.402 ( -2.019 -2.924 3.822) 5.219 3.463 ( 3.099 0.211 -0.331) 3.124 3.679 ( -4.082 0.101 -2.899) 5.008 3.724 ( -5.042 4.864 -1.781) 7.228 3.920 ( -0.196 -4.336 -2.173) 4.854 3.970 ( -0.565 4.213 -4.361) 6.090 4.106 ( -0.007 1.234 -6.511) 6.627 4.207 ( -1.039 1.465 -3.370) 3.819 4.260 ( -0.693 -2.792 -2.798) 4.013 4.310 ( -1.729 -3.546 -4.771) 6.191 4.438 ( -2.372 -3.183 -2.995) 4.973 4.482 ( 3.104 0.391 -3.725) 4.865 4.609 ( -3.088 2.005 -1.979) 4.180 4.735 ( -4.417 0.701 3.059) 5.418 4.831 ( -5.548 -1.509 1.061) 5.847 4.915 ( 0.193 4.633 -1.901) 5.011 4.960 ( -6.448 -6.221 0.102) 8.960 5.062 ( -3.442 -2.206 0.488) 4.117 5.094 ( 0.129 -3.953 -3.507) 5.286 5.251 ( -2.771 -7.572 1.261) 8.161 5.316 ( 6.587 1.887 -2.729) 7.375 5.334 ( 5.027 1.509 -5.700) 7.748 5.510 ( 4.605 3.441 0.815) 5.806 5.719 ( -1.886 -11.051 2.092) 11.404 5.887 ( -2.781 -2.506 1.563) 4.057 6.012 ( -2.782 -5.798 0.387) 6.442 6.790 ( 3.648 3.608 -2.361) 5.648 6.816 ( 0.191 -0.402 -0.687) 0.818 7.225 ( -0.078 9.246 3.789) 9.992 7.683 ( 2.677 -2.611 1.150) 3.913 7.757 ( 0.718 -2.482 1.751) 3.122 7.878 ( 0.497 5.994 -1.725) 6.257 7.917 ( 0.807 -4.391 1.765) 4.800 8.173 ( -0.325 -1.439 0.029) 1.475 9.052 ( -1.174 12.333 1.707) 12.505 9.473 ( 0.493 9.783 -2.357) 10.075 9.782 ( 0.692 -11.489 -0.748) 11.534 9.979 ( 1.352 -4.794 -2.844) 5.735 10.444 ( -0.055 2.589 1.320) 2.907 10.508 ( -0.496 -0.060 2.814) 2.858 10.711 ( 1.840 0.424 -4.743) 5.105 10.783 ( -0.086 -2.127 0.026) 2.129 11.146 ( 0.218 4.966 -1.894) 5.320 11.247 ( 6.055 2.525 -18.783) 19.896 11.264 ( 2.616 0.750 -6.653) 7.188 11.342 ( 3.721 0.264 -18.541) 18.913 11.385 ( 3.995 -1.553 -20.694) 21.133 11.522 ( -0.050 -6.131 -5.362) 8.145 11.861 ( 0.913 2.129 -2.884) 3.699 12.232 ( 0.154 -6.250 -0.280) 6.258 12.468 ( 0.180 8.393 3.471) 9.084 12.739 ( 0.951 -2.851 2.106) 3.670 13.085 ( -2.623 -0.453 2.350) 3.551 13.163 ( -0.544 -2.684 1.704) 3.226 13.269 ( -0.404 1.192 1.561) 2.005 13.301 ( -0.324 0.463 1.514) 1.616 13.588 ( 1.200 0.993 0.087) 1.560 13.622 ( 1.056 0.063 0.057) 1.060 14.790 ( 1.337 3.279 -3.457) 4.949 14.861 ( -1.217 1.403 -1.306) 2.270 14.890 ( 1.169 -1.461 -1.589) 2.455 14.935 ( 0.207 -1.563 -2.715) 3.139 15.115 ( 2.972 -1.299 1.225) 3.467 15.156 ( 2.035 -1.751 0.646) 2.761 15.362 ( -0.557 5.484 -2.999) 6.276 15.442 ( -1.079 0.673 -3.574) 3.793 15.513 ( -0.262 1.282 -2.258) 2.610 15.609 ( 2.228 1.239 -4.919) 5.540 15.641 ( 2.004 2.113 -1.949) 3.504 15.769 ( 0.877 0.726 -0.951) 1.483 15.830 ( 0.767 -0.892 -2.530) 2.790 15.932 ( -0.253 2.885 -1.613) 3.315 15.981 ( -1.295 -6.673 -1.135) 6.891 16.235 ( 0.430 -7.551 -3.061) 8.159 17.259 ( -5.097 -1.792 5.548) 7.745 17.261 ( -1.292 -1.324 8.053) 8.263 17.386 ( -1.724 -0.543 6.650) 6.891 17.441 ( -3.433 -4.089 8.321) 9.887 17.586 ( 1.181 5.002 8.742) 10.141 17.796 ( -1.788 4.240 -0.378) 4.617 17.825 ( -2.191 -2.500 4.129) 5.301 17.962 ( -1.822 0.703 -0.373) 1.988 26.460 ( -0.516 2.141 0.355) 2.230 26.566 ( -1.032 -1.765 1.800) 2.724 26.648 ( -1.250 1.124 -0.350) 1.717 26.711 ( -0.380 -1.628 -1.781) 2.443 26.778 ( 2.056 0.936 -0.803) 2.398 26.810 ( 0.435 0.692 -0.031) 0.818 26.847 ( 0.345 1.141 0.313) 1.233 26.966 ( -0.505 -3.011 0.162) 3.058 27.207 ( 3.057 6.010 -1.995) 7.032 27.369 ( 2.097 -1.603 -0.921) 2.796 27.435 ( 0.757 0.923 1.003) 1.559 27.546 ( -0.314 -3.284 1.052) 3.463 27.559 ( -0.151 2.910 1.867) 3.461 27.696 ( -0.832 -1.592 3.345) 3.797 27.804 ( -0.161 0.192 5.943) 5.948 27.864 ( 5.686 -0.279 9.442) 11.025 28.051 ( -0.587 4.292 0.071) 4.332 28.117 ( -4.910 0.854 -1.469) 5.196 28.330 ( -2.746 1.018 5.856) 6.547 28.426 ( -6.058 -7.812 9.375) 13.624 28.536 ( -0.438 -2.483 3.865) 4.615 28.735 ( 0.168 -8.630 -4.216) 9.606 29.342 ( -3.534 4.646 -13.731) 14.921 29.430 ( 0.249 -0.126 -4.963) 4.971 30.622 ( 3.053 3.178 -2.435) 5.035 30.722 ( 1.294 -1.884 -0.392) 2.319 30.981 ( -1.802 14.691 -2.569) 15.023 31.338 ( -1.808 -6.294 -0.882) 6.607 31.623 ( 6.041 4.518 -4.240) 8.653 31.781 ( -0.405 2.356 3.479) 4.221 32.052 ( 0.100 -0.854 -7.856) 7.903 32.130 ( 10.705 -3.585 7.620) 13.620 ======================= Grid point 35 (20/63) ======================= q-point: ( 0.00 -0.50 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 2.052 -9.695 1.375) 10.005 0.609 ( 2.052 9.695 1.375) 10.005 0.724 ( -3.782 -7.695 4.454) 9.662 0.724 ( -3.782 7.695 4.454) 9.662 0.987 ( -1.222 -3.347 0.313) 3.577 0.987 ( -1.222 3.347 0.313) 3.577 1.030 ( 0.730 -4.038 1.630) 4.416 1.030 ( 0.730 4.038 1.630) 4.416 1.166 ( -1.091 -3.131 2.621) 4.227 1.166 ( -1.091 3.131 2.621) 4.227 1.308 ( -0.885 -5.116 6.672) 8.454 1.308 ( -0.885 5.116 6.672) 8.454 1.418 ( -0.436 -3.463 2.227) 4.140 1.418 ( -0.436 3.463 2.227) 4.140 1.549 ( -1.953 -3.346 9.915) 10.645 1.549 ( -1.953 3.346 9.915) 10.645 1.620 ( -0.996 -3.038 6.828) 7.539 1.620 ( -0.996 3.038 6.828) 7.539 1.696 ( -2.231 -5.775 2.537) 6.690 1.696 ( -2.231 5.775 2.537) 6.690 1.753 ( 0.952 -0.827 6.664) 6.783 1.753 ( 0.952 0.827 6.664) 6.783 1.824 ( -1.440 -2.420 6.234) 6.841 1.824 ( -1.440 2.420 6.234) 6.841 1.973 ( 1.116 -4.313 10.094) 11.034 1.973 ( 1.116 4.313 10.094) 11.034 2.125 ( -0.485 -4.181 6.802) 7.999 2.125 ( -0.485 4.181 6.802) 7.999 2.204 ( 0.858 -3.277 5.432) 6.401 2.204 ( 0.858 3.277 5.432) 6.401 2.469 ( 1.234 -1.115 1.235) 2.072 2.469 ( 1.234 1.115 1.235) 2.072 2.704 ( -2.009 -10.377 1.667) 10.700 2.704 ( -2.009 10.377 1.667) 10.700 2.876 ( -2.535 -9.704 1.136) 10.093 2.876 ( -2.535 9.704 1.136) 10.093 2.945 ( 1.139 -3.580 1.463) 4.032 2.945 ( 1.139 3.580 1.463) 4.032 3.114 ( -0.605 -4.537 0.678) 4.628 3.114 ( -0.605 4.537 0.678) 4.628 3.252 ( 1.159 -6.366 2.766) 7.037 3.252 ( 1.159 6.366 2.766) 7.037 3.465 ( 2.953 -2.837 -1.393) 4.325 3.465 ( 2.953 2.837 -1.393) 4.325 3.692 ( 0.746 -5.110 0.104) 5.165 3.692 ( 0.746 5.110 0.104) 5.165 3.942 ( -1.304 -9.069 -4.294) 10.119 3.942 ( -1.304 9.069 -4.294) 10.119 4.129 ( 1.831 -6.264 -6.062) 8.908 4.129 ( 1.831 6.264 -6.062) 8.908 4.253 ( 1.385 -6.584 -3.831) 7.743 4.253 ( 1.385 6.584 -3.831) 7.743 4.399 ( 0.569 -5.442 -4.355) 6.993 4.399 ( 0.569 5.442 -4.355) 6.993 4.601 ( -4.568 -5.602 1.716) 7.430 4.601 ( -4.568 5.602 1.716) 7.430 4.788 ( 0.448 -5.421 4.473) 7.042 4.788 ( 0.448 5.421 4.473) 7.042 4.990 ( -1.796 -1.402 -0.530) 2.339 4.990 ( -1.796 1.402 -0.530) 2.339 5.077 ( 0.165 -2.185 -2.011) 2.974 5.077 ( 0.165 2.185 -2.011) 2.974 5.414 ( 3.012 -1.408 -2.213) 3.995 5.414 ( 3.012 1.408 -2.213) 3.995 5.679 ( 2.245 -4.227 0.724) 4.841 5.679 ( 2.245 4.227 0.724) 4.841 5.774 ( -4.357 -8.109 0.432) 9.215 5.774 ( -4.357 8.109 0.432) 9.215 6.871 ( 1.797 -1.727 0.788) 2.614 6.871 ( 1.797 1.727 0.788) 2.614 7.517 ( 0.741 -12.859 2.770) 13.175 7.517 ( 0.741 12.859 2.770) 13.175 7.808 ( -2.028 -3.908 0.970) 4.508 7.808 ( -2.028 3.908 0.970) 4.508 8.058 ( 0.272 -7.565 -1.546) 7.726 8.058 ( 0.272 7.565 -1.546) 7.726 9.390 ( -1.060 -18.034 -1.533) 18.130 9.390 ( -1.060 18.034 -1.533) 18.130 9.774 ( 0.314 -12.638 -1.936) 12.789 9.774 ( 0.314 12.638 -1.936) 12.789 10.498 ( -0.335 -1.675 2.227) 2.807 10.498 ( -0.335 1.675 2.227) 2.807 10.726 ( -0.004 -1.279 -2.143) 2.496 10.726 ( -0.004 1.279 -2.143) 2.496 11.237 ( -0.724 -7.528 -3.622) 8.386 11.237 ( -0.724 7.528 -3.622) 8.386 11.328 ( 3.393 -1.041 -17.530) 17.885 11.328 ( 3.393 1.041 -17.530) 17.885 11.405 ( 4.160 -2.096 -17.098) 17.721 11.405 ( 4.160 2.096 -17.098) 17.721 12.046 ( -0.088 -10.980 0.864) 11.014 12.046 ( -0.088 10.980 0.864) 11.014 12.672 ( -0.302 -6.774 1.711) 6.993 12.672 ( -0.302 6.774 1.711) 6.993 13.064 ( -0.435 -2.779 2.284) 3.623 13.064 ( -0.435 2.779 2.284) 3.623 13.286 ( -0.921 -1.178 2.137) 2.608 13.286 ( -0.921 1.178 2.137) 2.608 13.641 ( 0.614 -0.431 -0.030) 0.750 13.641 ( 0.614 0.431 -0.030) 0.750 14.847 ( 0.309 -0.816 -2.318) 2.477 14.847 ( 0.309 0.816 -2.318) 2.477 14.894 ( 0.487 -0.668 -1.885) 2.058 14.894 ( 0.487 0.668 -1.885) 2.058 15.133 ( -1.285 -1.045 -0.147) 1.663 15.133 ( -1.285 1.045 -0.147) 1.663 15.418 ( 0.727 -1.285 -2.622) 3.009 15.418 ( 0.727 1.285 -2.622) 3.009 15.576 ( 0.558 -2.820 -5.754) 6.432 15.576 ( 0.558 2.820 -5.754) 6.432 15.757 ( 1.054 -5.193 0.014) 5.299 15.757 ( 1.054 5.193 0.014) 5.299 15.839 ( 0.431 -3.604 -1.781) 4.042 15.839 ( 0.431 3.604 -1.781) 4.042 16.071 ( 0.839 -7.147 -3.472) 7.990 16.071 ( 0.839 7.147 -3.472) 7.990 17.203 ( -1.961 -3.710 7.286) 8.408 17.203 ( -1.961 3.710 7.286) 8.408 17.402 ( -0.776 -0.285 8.199) 8.241 17.402 ( -0.776 0.285 8.199) 8.241 17.677 ( -2.520 -5.052 5.349) 7.778 17.677 ( -2.520 5.052 5.349) 7.778 17.915 ( 1.313 -4.168 1.563) 4.641 17.915 ( 1.313 4.168 1.563) 4.641 26.508 ( -0.216 -2.498 0.730) 2.612 26.508 ( -0.216 2.498 0.730) 2.612 26.664 ( -0.189 -1.657 -1.595) 2.308 26.664 ( -0.189 1.657 -1.595) 2.308 26.820 ( 0.199 -1.099 -0.350) 1.171 26.820 ( 0.199 1.099 -0.350) 1.171 26.889 ( -0.389 -2.942 0.352) 2.988 26.889 ( -0.389 2.942 0.352) 2.988 27.331 ( -1.118 -3.567 -3.003) 4.795 27.331 ( -1.118 3.567 -3.003) 4.795 27.490 ( 1.316 -1.654 2.172) 3.030 27.490 ( 1.316 1.654 2.172) 3.030 27.628 ( -0.756 -3.096 2.503) 4.053 27.628 ( -0.756 3.096 2.503) 4.053 27.849 ( -1.273 -2.183 2.886) 3.836 27.849 ( -1.273 2.183 2.886) 3.836 28.051 ( -0.922 -1.828 4.081) 4.566 28.051 ( -0.922 1.828 4.081) 4.566 28.400 ( -0.339 -4.832 2.942) 5.667 28.400 ( -0.339 4.832 2.942) 5.667 28.485 ( -3.001 -6.775 -0.660) 7.440 28.485 ( -3.001 6.775 -0.660) 7.440 29.479 ( 7.859 -6.553 -2.305) 10.489 29.479 ( 7.859 6.553 -2.305) 10.489 30.676 ( -0.993 -2.223 -1.436) 2.827 30.676 ( -0.993 2.223 -1.436) 2.827 31.177 ( 0.493 -5.999 -3.084) 6.763 31.177 ( 0.493 5.999 -3.084) 6.763 31.778 ( -1.140 -0.584 -3.277) 3.519 31.778 ( -1.140 0.584 -3.277) 3.519 32.086 ( -1.436 -8.511 -0.142) 8.632 32.086 ( -1.436 8.511 -0.142) 8.632 ======================= Grid point 37 (21/63) ======================= q-point: ( 0.20 -0.50 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 1.286 -3.200 -0.684) 3.516 0.641 ( 1.286 3.200 -0.684) 3.516 0.700 ( -0.313 -3.980 8.014) 8.954 0.700 ( -0.313 3.980 8.014) 8.954 0.982 ( -0.223 -0.915 0.814) 1.245 0.982 ( -0.223 0.915 0.814) 1.245 1.065 ( 1.400 -5.134 1.459) 5.518 1.065 ( 1.400 5.134 1.459) 5.518 1.159 ( -0.630 -2.503 2.924) 3.900 1.159 ( -0.630 2.503 2.924) 3.900 1.342 ( 1.662 -5.569 5.219) 7.812 1.342 ( 1.662 5.569 5.219) 7.812 1.399 ( -1.849 -0.778 1.327) 2.406 1.399 ( -1.849 0.778 1.327) 2.406 1.566 ( -1.727 -1.727 15.075) 15.272 1.566 ( -1.727 1.727 15.075) 15.272 1.618 ( -0.980 -4.193 4.430) 6.178 1.618 ( -0.980 4.193 4.430) 6.178 1.673 ( -0.430 -3.304 -0.083) 3.333 1.673 ( -0.430 3.304 -0.083) 3.333 1.772 ( 0.826 -2.894 3.918) 4.940 1.772 ( 0.826 2.894 3.918) 4.940 1.834 ( -1.019 -1.832 9.764) 9.986 1.834 ( -1.019 1.832 9.764) 9.986 1.975 ( -3.650 -1.630 6.480) 7.614 1.975 ( -3.650 1.630 6.480) 7.614 2.138 ( -1.406 -3.473 12.889) 13.422 2.138 ( -1.406 3.473 12.889) 13.422 2.219 ( -0.611 -3.594 5.376) 6.496 2.219 ( -0.611 3.594 5.376) 6.496 2.486 ( -0.906 -0.649 1.535) 1.897 2.486 ( -0.906 0.649 1.535) 1.897 2.677 ( -0.933 -8.915 0.632) 8.986 2.677 ( -0.933 8.915 0.632) 8.986 2.814 ( -3.356 -8.927 -0.187) 9.539 2.814 ( -3.356 8.927 -0.187) 9.539 2.970 ( 0.501 -4.707 3.032) 5.621 2.970 ( 0.501 4.707 3.032) 5.621 3.099 ( 0.237 -3.561 0.381) 3.589 3.099 ( 0.237 3.561 0.381) 3.589 3.308 ( 1.946 -5.725 3.922) 7.207 3.308 ( 1.946 5.725 3.922) 7.207 3.483 ( -1.458 -3.020 0.815) 3.451 3.483 ( -1.458 3.020 0.815) 3.451 3.770 ( 3.664 -1.903 -3.048) 5.132 3.770 ( 3.664 1.903 -3.048) 5.132 3.920 ( 3.218 -8.404 -4.425) 10.028 3.920 ( 3.218 8.404 -4.425) 10.028 4.102 ( -0.556 -3.976 -5.480) 6.793 4.102 ( -0.556 3.976 -5.480) 6.793 4.300 ( 0.971 -0.800 -1.690) 2.106 4.300 ( 0.971 0.800 -1.690) 2.106 4.475 ( 8.001 -3.887 -8.626) 12.391 4.475 ( 8.001 3.887 -8.626) 12.391 4.563 ( 1.003 -3.143 3.744) 4.990 4.563 ( 1.003 3.143 3.744) 4.990 4.840 ( 3.072 -5.322 2.497) 6.633 4.840 ( 3.072 5.322 2.497) 6.633 4.975 ( 1.268 -0.640 -3.279) 3.573 4.975 ( 1.268 0.640 -3.279) 3.573 5.092 ( 1.551 -5.550 -2.232) 6.180 5.092 ( 1.551 5.550 -2.232) 6.180 5.450 ( -2.387 -3.334 2.095) 4.604 5.450 ( -2.387 3.334 2.095) 4.604 5.579 ( -4.145 -0.710 0.451) 4.230 5.579 ( -4.145 0.710 0.451) 4.230 5.822 ( 4.170 -6.412 -1.415) 7.778 5.822 ( 4.170 6.412 -1.415) 7.778 6.886 ( -0.793 -0.895 0.479) 1.288 6.886 ( -0.793 0.895 0.479) 1.288 7.519 ( -2.149 -12.556 3.144) 13.121 7.519 ( -2.149 12.556 3.144) 13.121 7.741 ( -3.438 -4.043 0.707) 5.354 7.741 ( -3.438 4.043 0.707) 5.354 8.059 ( 0.321 -7.764 -1.548) 7.923 8.059 ( 0.321 7.764 -1.548) 7.923 9.364 ( -0.624 -17.236 -1.283) 17.295 9.364 ( -0.624 17.236 -1.283) 17.295 9.780 ( 0.842 -12.789 -1.952) 12.965 9.780 ( 0.842 12.789 -1.952) 12.965 10.499 ( -0.428 -1.300 2.401) 2.763 10.499 ( -0.428 1.300 2.401) 2.763 10.719 ( 0.195 -0.822 -2.062) 2.228 10.719 ( 0.195 0.822 -2.062) 2.228 11.210 ( -0.080 -7.586 -6.351) 9.894 11.210 ( -0.080 7.586 -6.351) 9.894 11.324 ( 2.366 -1.379 -18.403) 18.606 11.324 ( 2.366 1.379 -18.403) 18.606 11.429 ( 3.085 -1.859 -13.461) 13.935 11.429 ( 3.085 1.859 -13.461) 13.935 12.031 ( -1.428 -10.952 0.773) 11.072 12.031 ( -1.428 10.952 0.773) 11.072 12.635 ( -3.279 -7.730 2.388) 8.729 12.635 ( -3.279 7.730 2.388) 8.729 13.113 ( 3.872 -3.328 1.261) 5.259 13.113 ( 3.872 3.328 1.261) 5.259 13.267 ( -1.402 -1.609 1.382) 2.542 13.267 ( -1.402 1.609 1.382) 2.542 13.635 ( -1.252 -0.782 0.812) 1.685 13.635 ( -1.252 0.782 0.812) 1.685 14.841 ( 0.145 -1.792 -2.907) 3.418 14.841 ( 0.145 1.792 -2.907) 3.418 14.908 ( 1.214 -1.043 -0.833) 1.804 14.908 ( 1.214 1.043 -0.833) 1.804 15.081 ( -3.056 -1.977 0.024) 3.640 15.081 ( -3.056 1.977 0.024) 3.640 15.439 ( 2.092 -1.564 -3.089) 4.046 15.439 ( 2.092 1.564 -3.089) 4.046 15.572 ( 0.864 -1.338 -5.818) 6.032 15.572 ( 0.864 1.338 -5.818) 6.032 15.762 ( -0.205 -6.268 -0.162) 6.273 15.762 ( -0.205 6.268 -0.162) 6.273 15.832 ( -0.663 -6.239 -0.687) 6.312 15.832 ( -0.663 6.239 -0.687) 6.312 16.078 ( 0.791 -7.133 -3.101) 7.818 16.078 ( 0.791 7.133 -3.101) 7.818 17.227 ( 1.363 -4.786 7.011) 8.597 17.227 ( 1.363 4.786 7.011) 8.597 17.403 ( -1.834 -1.285 7.599) 7.922 17.403 ( -1.834 1.285 7.599) 7.922 17.666 ( -0.449 -6.029 5.064) 7.886 17.666 ( -0.449 6.029 5.064) 7.886 17.963 ( 2.340 -4.410 1.471) 5.204 17.963 ( 2.340 4.410 1.471) 5.204 26.511 ( 0.249 -2.122 0.508) 2.196 26.511 ( 0.249 2.122 0.508) 2.196 26.662 ( 0.556 -1.559 -1.559) 2.274 26.662 ( 0.556 1.559 -1.559) 2.274 26.809 ( -1.226 -1.149 -0.418) 1.732 26.809 ( -1.226 1.149 -0.418) 1.732 26.890 ( 0.608 -3.345 0.187) 3.404 26.890 ( 0.608 3.345 0.187) 3.404 27.273 ( -2.809 -3.731 -2.355) 5.231 27.273 ( -2.809 3.731 -2.355) 5.231 27.518 ( -0.379 -0.838 2.908) 3.049 27.518 ( -0.379 0.838 2.908) 3.049 27.624 ( 0.097 -2.533 2.032) 3.248 27.624 ( 0.097 2.533 2.032) 3.248 27.805 ( -2.747 -0.282 3.228) 4.248 27.805 ( -2.747 0.282 3.228) 4.248 28.101 ( 3.477 -6.232 2.138) 7.450 28.101 ( 3.477 6.232 2.138) 7.450 28.400 ( -0.262 -6.549 2.796) 7.126 28.400 ( -0.262 6.549 2.796) 7.126 28.445 ( -1.406 -7.172 2.019) 7.582 28.445 ( -1.406 7.172 2.019) 7.582 29.633 ( 6.395 -10.986 -3.218) 13.113 29.633 ( 6.395 10.986 -3.218) 13.113 30.633 ( -2.299 -2.671 -1.506) 3.832 30.633 ( -2.299 2.671 -1.506) 3.832 31.201 ( 2.848 -4.834 -2.552) 6.164 31.201 ( 2.848 4.834 -2.552) 6.164 31.699 ( -5.022 -4.108 -2.094) 6.818 31.699 ( -5.022 4.108 -2.094) 6.818 32.022 ( -3.379 -10.982 -0.919) 11.527 32.022 ( -3.379 10.982 -0.919) 11.527 ======================= Grid point 39 (22/63) ======================= q-point: ( 0.40 -0.50 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.449 -4.333 -3.825) 5.797 0.651 ( -0.449 4.333 -3.825) 5.797 0.753 ( 2.455 -2.376 5.666) 6.616 0.753 ( 2.455 2.376 5.666) 6.616 0.983 ( -0.362 -3.124 6.748) 7.445 0.983 ( -0.362 3.124 6.748) 7.445 1.079 ( -0.029 -1.327 1.682) 2.143 1.079 ( -0.029 1.327 1.682) 2.143 1.161 ( -0.806 -10.261 4.213) 11.121 1.161 ( -0.806 10.261 4.213) 11.121 1.331 ( -2.553 -2.467 0.764) 3.632 1.331 ( -2.553 2.467 0.764) 3.632 1.430 ( 3.525 -2.880 2.183) 5.048 1.430 ( 3.525 2.880 2.183) 5.048 1.565 ( -2.058 -3.158 11.871) 12.455 1.565 ( -2.058 3.158 11.871) 12.455 1.621 ( -0.153 -6.409 3.562) 7.334 1.621 ( -0.153 6.409 3.562) 7.334 1.666 ( -0.814 -2.256 3.082) 3.905 1.666 ( -0.814 2.256 3.082) 3.905 1.790 ( -4.645 -4.887 12.141) 13.888 1.790 ( -4.645 4.887 12.141) 13.888 1.854 ( 1.815 -4.465 3.430) 5.916 1.854 ( 1.815 4.465 3.430) 5.916 1.911 ( -3.379 -1.788 3.779) 5.376 1.911 ( -3.379 1.788 3.779) 5.376 2.148 ( -1.555 -1.421 9.332) 9.567 2.148 ( -1.555 1.421 9.332) 9.567 2.216 ( -2.729 -3.060 5.827) 7.125 2.216 ( -2.729 3.060 5.827) 7.125 2.441 ( -3.176 -1.108 3.325) 4.730 2.441 ( -3.176 1.108 3.325) 4.730 2.664 ( -0.090 -8.040 1.270) 8.140 2.664 ( -0.090 8.040 1.270) 8.140 2.773 ( -0.386 -6.286 3.028) 6.988 2.773 ( -0.386 6.286 3.028) 6.988 2.988 ( 0.263 -2.117 0.828) 2.288 2.988 ( 0.263 2.117 0.828) 2.288 3.139 ( 2.789 -3.223 1.315) 4.460 3.139 ( 2.789 3.223 1.315) 4.460 3.313 ( -2.687 -2.550 1.904) 4.165 3.313 ( -2.687 2.550 1.904) 4.165 3.441 ( -2.516 -0.300 2.558) 3.601 3.441 ( -2.516 0.300 2.558) 3.601 3.786 ( 1.150 -5.866 -4.309) 7.368 3.786 ( 1.150 5.866 -4.309) 7.368 3.998 ( 2.869 -3.076 -4.976) 6.516 3.998 ( 2.869 3.076 -4.976) 6.516 4.113 ( 2.800 -2.603 -2.818) 4.750 4.113 ( 2.800 2.603 -2.818) 4.750 4.291 ( -0.957 -2.214 -0.990) 2.608 4.291 ( -0.957 2.214 -0.990) 2.608 4.530 ( 1.636 -1.033 -4.101) 4.534 4.530 ( 1.636 1.033 -4.101) 4.534 4.694 ( 7.652 -4.709 -3.387) 9.602 4.694 ( 7.652 4.709 -3.387) 9.602 4.907 ( 2.190 -1.864 0.868) 3.004 4.907 ( 2.190 1.864 0.868) 3.004 4.997 ( 1.031 -2.157 -2.857) 3.726 4.997 ( 1.031 2.157 -2.857) 3.726 5.117 ( 1.228 -5.302 -0.864) 5.511 5.117 ( 1.228 5.302 -0.864) 5.511 5.311 ( -6.683 -0.886 1.247) 6.855 5.311 ( -6.683 0.886 1.247) 6.855 5.589 ( 0.239 -3.476 3.298) 4.797 5.589 ( 0.239 3.476 3.298) 4.797 5.891 ( 3.450 -6.171 -2.963) 7.666 5.891 ( 3.450 6.171 -2.963) 7.666 6.843 ( -2.530 -3.069 -2.893) 4.918 6.843 ( -2.530 3.069 -2.893) 4.918 7.465 ( -2.981 -7.031 4.032) 8.636 7.465 ( -2.981 7.031 4.032) 8.636 7.713 ( 0.037 -3.032 1.821) 3.537 7.713 ( 0.037 3.032 1.821) 3.537 8.060 ( 0.323 -7.849 -1.592) 8.016 8.060 ( 0.323 7.849 -1.592) 8.016 9.363 ( 0.699 -16.217 -0.267) 16.234 9.363 ( 0.699 16.217 -0.267) 16.234 9.790 ( 0.660 -11.964 -1.759) 12.111 9.790 ( 0.660 11.964 -1.759) 12.111 10.498 ( -0.459 -0.887 2.345) 2.549 10.498 ( -0.459 0.887 2.345) 2.549 10.721 ( 0.573 -1.069 -1.920) 2.271 10.721 ( 0.573 1.069 -1.920) 2.271 11.197 ( 1.457 -5.371 -8.018) 9.760 11.197 ( 1.457 5.371 -8.018) 9.760 11.309 ( 2.629 -1.186 -18.110) 18.338 11.309 ( 2.629 1.186 -18.110) 18.338 11.429 ( 1.125 -4.509 -11.389) 12.301 11.429 ( 1.125 4.509 -11.389) 12.301 12.005 ( -0.864 -10.898 -0.152) 10.933 12.005 ( -0.864 10.898 -0.152) 10.933 12.589 ( -1.686 -7.303 3.192) 8.146 12.589 ( -1.686 7.303 3.192) 8.146 13.178 ( 0.637 -2.966 1.776) 3.515 13.178 ( 0.637 2.966 1.776) 3.515 13.262 ( 1.618 -2.000 -0.710) 2.669 13.262 ( 1.618 2.000 -0.710) 2.669 13.603 ( -1.938 -0.691 1.505) 2.549 13.603 ( -1.938 0.691 1.505) 2.549 14.836 ( 0.379 -2.044 -2.892) 3.562 14.836 ( 0.379 2.044 -2.892) 3.562 14.930 ( 0.802 -0.830 -0.378) 1.215 14.930 ( 0.802 0.830 -0.378) 1.215 15.033 ( -1.128 -2.470 0.455) 2.754 15.033 ( -1.128 2.470 0.455) 2.754 15.467 ( 1.527 -2.320 -4.269) 5.093 15.467 ( 1.527 2.320 -4.269) 5.093 15.571 ( 0.951 -1.294 -4.762) 5.026 15.571 ( 0.951 1.294 -4.762) 5.026 15.755 ( -0.528 -6.967 -0.471) 7.003 15.755 ( -0.528 6.967 -0.471) 7.003 15.813 ( -0.709 -4.000 -0.545) 4.099 15.813 ( -0.709 4.000 -0.545) 4.099 16.082 ( 0.547 -7.072 -2.580) 7.547 16.082 ( 0.547 7.072 -2.580) 7.547 17.279 ( 0.825 -6.222 7.199) 9.551 17.279 ( 0.825 6.222 7.199) 9.551 17.384 ( -2.173 -2.357 6.491) 7.240 17.384 ( -2.173 2.357 6.491) 7.240 17.683 ( 0.171 -7.400 5.529) 9.239 17.683 ( 0.171 7.400 5.529) 9.239 18.000 ( 0.524 -4.803 0.505) 4.858 18.000 ( 0.524 4.803 0.505) 4.858 26.520 ( 0.336 -2.124 0.598) 2.232 26.520 ( 0.336 2.124 0.598) 2.232 26.677 ( 1.477 -0.686 -1.237) 2.045 26.677 ( 1.477 0.686 -1.237) 2.045 26.774 ( -1.679 -0.764 -0.478) 1.905 26.774 ( -1.679 0.764 -0.478) 1.905 26.909 ( 0.841 -2.899 -0.094) 3.020 26.909 ( 0.841 2.899 -0.094) 3.020 27.227 ( -0.622 -3.983 -1.401) 4.268 27.227 ( -0.622 3.983 -1.401) 4.268 27.496 ( -1.880 -0.789 2.203) 3.001 27.496 ( -1.880 0.789 2.203) 3.001 27.651 ( 0.998 -3.600 3.315) 4.994 27.651 ( 0.998 3.600 3.315) 4.994 27.778 ( -1.308 -1.239 4.779) 5.107 27.778 ( -1.308 1.239 4.779) 5.107 28.164 ( 2.051 -7.317 -1.769) 7.802 28.164 ( 2.051 7.317 -1.769) 7.802 28.400 ( -2.114 -0.946 7.308) 7.666 28.400 ( -2.114 0.946 7.308) 7.666 28.450 ( 1.764 -8.510 2.388) 9.013 28.450 ( 1.764 8.510 2.388) 9.013 29.668 ( -1.333 -9.861 -8.597) 13.150 29.668 ( -1.333 9.861 -8.597) 13.150 30.597 ( -0.283 -3.097 -0.342) 3.129 30.597 ( -0.283 3.097 -0.342) 3.129 31.264 ( 2.886 -1.553 -0.721) 3.356 31.264 ( 2.886 1.553 -0.721) 3.356 31.606 ( -2.212 -5.899 -0.694) 6.338 31.606 ( -2.212 5.899 -0.694) 6.338 31.974 ( -0.727 -8.217 -1.355) 8.360 31.974 ( -0.727 8.217 -1.355) 8.360 ======================= Grid point 41 (23/63) ======================= q-point: (-0.40 -0.50 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -2.544 -7.120 -3.188) 8.206 0.597 ( -2.544 7.120 -3.188) 8.206 0.803 ( 0.855 -1.748 0.271) 1.965 0.803 ( 0.855 1.748 0.271) 1.965 1.008 ( -1.128 -6.871 11.828) 13.725 1.008 ( -1.128 6.871 11.828) 13.725 1.083 ( -0.711 -1.731 -0.062) 1.872 1.083 ( -0.711 1.731 -0.062) 1.872 1.164 ( 0.488 -8.591 5.413) 10.166 1.164 ( 0.488 8.591 5.413) 10.166 1.299 ( -0.569 -0.123 1.140) 1.280 1.299 ( -0.569 0.123 1.140) 1.280 1.502 ( 1.463 -0.680 0.912) 1.853 1.502 ( 1.463 0.680 0.912) 1.853 1.574 ( 0.151 -3.603 4.297) 5.610 1.574 ( 0.151 3.603 4.297) 5.610 1.636 ( -1.854 -2.751 11.213) 11.693 1.636 ( -1.854 2.751 11.213) 11.693 1.668 ( -0.010 -2.421 2.824) 3.720 1.668 ( -0.010 2.421 2.824) 3.720 1.713 ( -4.464 -3.165 10.243) 11.613 1.713 ( -4.464 3.165 10.243) 11.613 1.864 ( -2.832 -2.549 9.168) 9.928 1.864 ( -2.832 2.549 9.168) 9.928 1.884 ( -0.469 -3.002 0.032) 3.038 1.884 ( -0.469 3.002 0.032) 3.038 2.111 ( -4.957 -2.103 7.978) 9.625 2.111 ( -4.957 2.103 7.978) 9.625 2.155 ( -1.705 -1.537 1.661) 2.833 2.155 ( -1.705 1.537 1.661) 2.833 2.426 ( -0.061 -1.032 4.659) 4.772 2.426 ( -0.061 1.032 4.659) 4.772 2.708 ( 2.599 -6.654 3.540) 7.973 2.708 ( 2.599 6.654 3.540) 7.973 2.810 ( 2.496 -3.757 3.418) 5.659 2.810 ( 2.496 3.757 3.418) 5.659 2.977 ( -1.406 -1.524 0.325) 2.099 2.977 ( -1.406 1.524 0.325) 2.099 3.163 ( -2.446 -4.005 1.439) 4.909 3.163 ( -2.446 4.005 1.439) 4.909 3.268 ( -0.534 -1.274 0.693) 1.546 3.268 ( -0.534 1.274 0.693) 1.546 3.403 ( -1.425 -1.526 1.168) 2.392 3.403 ( -1.425 1.526 1.168) 2.392 3.793 ( 0.333 -5.451 -4.454) 7.047 3.793 ( 0.333 5.451 -4.454) 7.047 4.012 ( 0.275 -7.159 -2.988) 7.763 4.012 ( 0.275 7.159 -2.988) 7.763 4.130 ( -1.131 -7.709 -1.583) 7.951 4.130 ( -1.131 7.709 -1.583) 7.951 4.272 ( 0.056 -2.137 -1.671) 2.714 4.272 ( 0.056 2.137 -1.671) 2.714 4.524 ( -1.234 -0.912 -4.937) 5.170 4.524 ( -1.234 0.912 -4.937) 5.170 4.750 ( -1.437 -5.987 -4.149) 7.425 4.750 ( -1.437 5.987 -4.149) 7.425 4.925 ( -1.146 -2.538 -1.541) 3.183 4.925 ( -1.146 2.538 -1.541) 3.183 4.975 ( -1.735 -2.223 4.544) 5.348 4.975 ( -1.735 2.223 4.544) 5.348 5.139 ( 1.518 -4.134 -0.698) 4.459 5.139 ( 1.518 4.134 -0.698) 4.459 5.288 ( 3.266 -0.492 -1.866) 3.794 5.288 ( 3.266 0.492 -1.866) 3.794 5.566 ( -2.517 -5.818 2.791) 6.926 5.566 ( -2.517 5.818 2.791) 6.926 5.931 ( 0.654 -5.008 -1.834) 5.373 5.931 ( 0.654 5.008 -1.834) 5.373 6.798 ( 0.148 -3.376 -4.370) 5.524 6.798 ( 0.148 3.376 -4.370) 5.524 7.455 ( 0.388 -10.945 3.799) 11.591 7.455 ( 0.388 10.945 3.799) 11.591 7.741 ( 1.856 -4.536 2.873) 5.681 7.741 ( 1.856 4.536 2.873) 5.681 8.060 ( 0.210 -7.757 -1.646) 7.933 8.060 ( 0.210 7.757 -1.646) 7.933 9.384 ( 1.123 -15.919 0.257) 15.961 9.384 ( 1.123 15.919 0.257) 15.961 9.791 ( -0.007 -11.177 -1.608) 11.292 9.791 ( -0.007 11.177 -1.608) 11.292 10.497 ( -0.386 -1.055 2.133) 2.411 10.497 ( -0.386 1.055 2.133) 2.411 10.726 ( 0.549 -2.136 -1.885) 2.901 10.726 ( 0.549 2.136 -1.885) 2.901 11.216 ( 2.919 -2.801 -7.478) 8.502 11.216 ( 2.919 2.801 -7.478) 8.502 11.310 ( 3.277 -2.655 -17.213) 17.722 11.310 ( 3.277 2.655 -17.213) 17.722 11.402 ( 0.617 -5.475 -12.464) 13.627 11.402 ( 0.617 5.475 -12.464) 13.627 12.004 ( 0.867 -10.878 -0.578) 10.928 12.004 ( 0.867 10.878 -0.578) 10.928 12.593 ( 0.938 -6.931 3.307) 7.736 12.593 ( 0.938 6.931 3.307) 7.736 13.159 ( -2.275 -1.596 1.450) 3.134 13.159 ( -2.275 1.596 1.450) 3.134 13.296 ( 0.657 -0.959 0.315) 1.204 13.296 ( 0.657 0.959 0.315) 1.204 13.586 ( 0.209 -0.557 0.878) 1.060 13.586 ( 0.209 0.557 0.878) 1.060 14.837 ( 0.613 -2.218 -2.582) 3.458 14.837 ( 0.613 2.218 -2.582) 3.458 14.925 ( -0.857 -0.993 -1.059) 1.686 14.925 ( -0.857 0.993 -1.059) 1.686 15.054 ( 2.568 -2.113 1.074) 3.494 15.054 ( 2.568 2.113 1.074) 3.494 15.462 ( -0.452 -2.274 -4.470) 5.035 15.462 ( -0.452 2.274 -4.470) 5.035 15.582 ( 1.489 -1.296 -4.369) 4.794 15.582 ( 1.489 1.296 -4.369) 4.794 15.733 ( -1.102 -7.957 -0.370) 8.042 15.733 ( -1.102 7.957 -0.370) 8.042 15.812 ( 0.848 -2.773 -1.415) 3.226 15.812 ( 0.848 2.773 -1.415) 3.226 16.081 ( 0.187 -6.828 -2.537) 7.287 16.081 ( 0.187 6.828 -2.537) 7.287 17.293 ( -2.131 -3.885 7.237) 8.486 17.293 ( -2.131 3.885 7.237) 8.486 17.370 ( -1.079 -1.778 6.384) 6.714 17.370 ( -1.079 1.778 6.384) 6.714 17.705 ( -0.128 -7.300 6.394) 9.705 17.705 ( -0.128 7.300 6.394) 9.705 17.980 ( -2.361 -4.511 -0.385) 5.106 17.980 ( -2.361 4.511 -0.385) 5.106 26.523 ( -0.311 -2.522 0.804) 2.665 26.523 ( -0.311 2.522 0.804) 2.665 26.698 ( -0.049 -0.922 -0.536) 1.068 26.698 ( -0.049 0.922 -0.536) 1.068 26.759 ( 1.270 -1.186 -0.900) 1.957 26.759 ( 1.270 1.186 -0.900) 1.957 26.912 ( -0.518 -2.383 -0.171) 2.445 26.912 ( -0.518 2.383 -0.171) 2.445 27.247 ( 2.880 -3.724 -1.361) 4.901 27.247 ( 2.880 3.724 -1.361) 4.901 27.475 ( -0.848 -1.675 2.474) 3.106 27.475 ( -0.848 1.675 2.474) 3.106 27.663 ( -0.973 -3.688 2.308) 4.458 27.663 ( -0.973 3.688 2.308) 4.458 27.787 ( 0.219 -0.672 7.058) 7.094 27.787 ( 0.219 0.672 7.058) 7.094 28.164 ( -1.120 -5.453 -3.299) 6.471 28.164 ( -1.120 5.453 -3.299) 6.471 28.383 ( -1.679 -2.023 8.059) 8.477 28.383 ( -1.679 2.023 8.059) 8.477 28.510 ( 2.344 -6.453 4.001) 7.946 28.510 ( 2.344 6.453 4.001) 7.946 29.540 ( -6.284 -5.778 -12.261) 14.940 29.540 ( -6.284 5.778 -12.261) 14.940 30.624 ( 2.517 -2.862 -0.135) 3.814 30.624 ( 2.517 2.862 -0.135) 3.814 31.263 ( -2.614 -5.175 -0.040) 5.798 31.263 ( -2.614 5.175 -0.040) 5.798 31.647 ( 5.744 -7.283 -0.702) 9.302 31.647 ( 5.744 7.283 -0.702) 9.302 31.987 ( 2.308 -4.708 -0.497) 5.267 31.987 ( 2.308 4.708 -0.497) 5.267 ======================= Grid point 43 (24/63) ======================= q-point: (-0.20 -0.50 0.12) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.580 -11.844 0.894) 11.892 0.569 ( 0.580 11.844 0.894) 11.892 0.787 ( -2.596 -4.070 1.466) 5.045 0.787 ( -2.596 4.070 1.466) 5.045 1.000 ( -1.099 -10.021 2.469) 10.379 1.000 ( -1.099 10.021 2.469) 10.379 1.060 ( -2.371 -1.395 2.216) 3.532 1.060 ( -2.371 1.395 2.216) 3.532 1.184 ( -0.892 -4.730 3.222) 5.792 1.184 ( -0.892 4.730 3.222) 5.792 1.311 ( -0.223 -0.273 4.529) 4.542 1.311 ( -0.223 0.273 4.529) 4.542 1.449 ( -4.959 -6.234 3.339) 8.637 1.449 ( -4.959 6.234 3.339) 8.637 1.572 ( -2.316 -3.170 6.591) 7.672 1.572 ( -2.316 3.170 6.591) 7.672 1.620 ( -1.616 -4.027 8.482) 9.528 1.620 ( -1.616 4.027 8.482) 9.528 1.682 ( 1.089 -1.604 6.913) 7.180 1.682 ( 1.089 1.604 6.913) 7.180 1.735 ( 0.330 -3.901 2.489) 4.639 1.735 ( 0.330 3.901 2.489) 4.639 1.834 ( -2.069 -3.939 5.821) 7.327 1.834 ( -2.069 3.939 5.821) 7.327 1.898 ( 1.321 -0.800 10.544) 10.657 1.898 ( 1.321 0.800 10.544) 10.657 2.104 ( 0.873 -3.456 3.559) 5.037 2.104 ( 0.873 3.456 3.559) 5.037 2.153 ( 1.042 -2.182 4.383) 5.006 2.153 ( 1.042 2.182 4.383) 5.006 2.445 ( 0.416 -1.703 3.346) 3.778 2.445 ( 0.416 1.703 3.346) 3.778 2.736 ( -1.273 -10.982 2.932) 11.437 2.736 ( -1.273 10.982 2.932) 11.437 2.873 ( 1.867 -9.290 2.356) 9.764 2.873 ( 1.867 9.290 2.356) 9.764 2.950 ( -1.164 -3.432 0.084) 3.625 2.950 ( -1.164 3.432 0.084) 3.625 3.113 ( -1.148 -4.378 1.449) 4.752 3.113 ( -1.148 4.378 1.449) 4.752 3.255 ( -1.363 -5.106 1.010) 5.381 3.255 ( -1.363 5.106 1.010) 5.381 3.413 ( 1.972 -4.588 0.023) 4.994 3.413 ( 1.972 4.588 0.023) 4.994 3.746 ( -3.496 -4.343 -3.273) 6.465 3.746 ( -3.496 4.343 -3.273) 6.465 3.978 ( -1.984 -8.722 -1.723) 9.109 3.978 ( -1.984 8.722 -1.723) 9.109 4.106 ( 0.952 -6.323 -5.114) 8.188 4.106 ( 0.952 6.323 -5.114) 8.188 4.273 ( -0.157 -3.556 -1.613) 3.908 4.273 ( -0.157 3.556 -1.613) 3.908 4.448 ( -3.673 -3.677 -3.718) 6.390 4.448 ( -3.673 3.677 -3.718) 6.390 4.690 ( -2.452 -5.851 -4.036) 7.519 4.690 ( -2.452 5.851 -4.036) 7.519 4.825 ( -6.357 -4.095 6.057) 9.688 4.825 ( -6.357 4.095 6.057) 9.688 5.000 ( 1.389 -3.144 -0.878) 3.547 5.000 ( 1.389 3.144 -0.878) 3.547 5.123 ( -3.240 -3.923 0.372) 5.102 5.123 ( -3.240 3.923 0.372) 5.102 5.361 ( 3.599 -1.191 -3.279) 5.013 5.361 ( 3.599 1.191 -3.279) 5.013 5.577 ( 3.988 -3.389 0.610) 5.269 5.577 ( 3.988 3.389 0.610) 5.269 5.889 ( -4.485 -3.524 0.346) 5.714 5.889 ( -4.485 3.524 0.346) 5.714 6.822 ( 2.708 -0.357 -1.863) 3.306 6.822 ( 2.708 0.357 -1.863) 3.306 7.486 ( 1.242 -12.765 2.713) 13.109 7.486 ( 1.242 12.765 2.713) 13.109 7.797 ( 2.038 -4.295 2.574) 5.406 7.797 ( 2.038 4.295 2.574) 5.406 8.058 ( 0.218 -7.575 -1.617) 7.749 8.058 ( 0.218 7.575 -1.617) 7.749 9.401 ( 0.407 -16.939 -0.398) 16.949 9.401 ( 0.407 16.939 -0.398) 16.949 9.781 ( -0.288 -11.537 -1.737) 11.670 9.781 ( -0.288 11.537 -1.737) 11.670 10.497 ( -0.283 -1.606 2.072) 2.637 10.497 ( -0.283 1.606 2.072) 2.637 10.729 ( 0.383 -1.975 -2.023) 2.852 10.729 ( 0.383 1.975 -2.023) 2.852 11.248 ( 1.356 -3.422 -3.535) 5.103 11.248 ( 1.356 3.422 -3.535) 5.103 11.316 ( 3.194 -2.866 -16.811) 17.350 11.316 ( 3.194 2.866 -16.811) 17.350 11.387 ( 3.146 -3.804 -17.267) 17.959 11.387 ( 3.146 3.804 -17.267) 17.959 12.029 ( 1.342 -11.022 0.108) 11.104 12.029 ( 1.342 11.022 0.108) 11.104 12.639 ( 2.127 -6.533 2.448) 7.294 12.639 ( 2.127 6.533 2.448) 7.294 13.105 ( -3.354 -2.286 1.784) 4.433 13.105 ( -3.354 2.286 1.784) 4.433 13.294 ( -0.734 -1.023 2.104) 2.452 13.294 ( -0.734 1.023 2.104) 2.452 13.613 ( 1.865 -0.885 -0.181) 2.073 13.613 ( 1.865 0.885 -0.181) 2.073 14.843 ( 0.728 -2.099 -2.173) 3.108 14.843 ( 0.728 2.099 -2.173) 3.108 14.903 ( -0.593 -1.703 -1.899) 2.619 14.903 ( -0.593 1.703 -1.899) 2.619 15.117 ( 2.512 -1.358 0.733) 2.948 15.117 ( 2.512 1.358 0.733) 2.948 15.431 ( -0.876 -1.573 -3.373) 3.824 15.431 ( -0.876 1.573 -3.373) 3.824 15.587 ( 0.529 -3.008 -5.306) 6.122 15.587 ( 0.529 3.008 -5.306) 6.122 15.729 ( 0.962 -5.996 0.029) 6.073 15.729 ( 0.962 5.996 0.029) 6.073 15.828 ( 1.173 -3.002 -2.046) 3.818 15.828 ( 1.173 3.002 -2.046) 3.818 16.073 ( 0.132 -6.968 -3.063) 7.612 16.073 ( 0.132 6.968 -3.063) 7.612 17.248 ( -4.152 -0.962 6.990) 8.187 17.248 ( -4.152 0.962 6.990) 8.187 17.383 ( -0.239 -0.903 7.494) 7.552 17.383 ( -0.239 0.903 7.494) 7.552 17.711 ( -1.967 -5.724 6.683) 9.016 17.711 ( -1.967 5.724 6.683) 9.016 17.921 ( -2.329 -4.227 -0.211) 4.831 17.921 ( -2.329 4.227 -0.211) 4.831 26.515 ( -0.637 -2.691 0.784) 2.874 26.515 ( -0.637 2.691 0.784) 2.874 26.679 ( -0.901 -1.491 -0.916) 1.968 26.679 ( -0.901 1.491 -0.916) 1.968 26.800 ( 1.997 -1.006 -0.627) 2.322 26.800 ( 1.997 1.006 -0.627) 2.322 26.898 ( -0.636 -3.078 0.298) 3.157 26.898 ( -0.636 3.078 0.298) 3.157 27.313 ( 3.450 -3.679 -2.563) 5.657 27.313 ( 3.450 3.679 -2.563) 5.657 27.474 ( -0.222 -2.699 2.327) 3.571 27.474 ( -0.222 2.699 2.327) 3.571 27.641 ( -1.490 -3.595 2.345) 4.543 27.641 ( -1.490 3.595 2.345) 4.543 27.825 ( 0.980 -1.914 6.466) 6.814 27.825 ( 0.980 1.914 6.466) 6.814 28.105 ( -3.695 -1.583 0.104) 4.021 28.105 ( -3.695 1.583 0.104) 4.021 28.389 ( -0.257 -2.076 5.719) 6.089 28.389 ( -0.257 2.076 5.719) 6.089 28.540 ( -1.142 -6.296 1.507) 6.574 28.540 ( -1.142 6.296 1.507) 6.574 29.411 ( -0.702 -1.936 -8.757) 8.996 29.411 ( -0.702 1.936 -8.757) 8.996 30.672 ( 1.792 -2.332 -0.913) 3.080 30.672 ( 1.792 2.332 -0.913) 3.080 31.203 ( -2.251 -6.724 -1.465) 7.241 31.203 ( -2.251 6.724 -1.465) 7.241 31.757 ( 4.137 -5.385 -2.369) 7.192 31.757 ( 4.137 5.385 -2.369) 7.192 32.055 ( 3.612 -2.322 0.706) 4.352 32.055 ( 3.612 2.322 0.706) 4.352 ======================= Grid point 50 (25/63) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 13.829 0.000 14.762) 20.228 0.582 ( 4.542 0.000 15.186) 15.851 0.923 ( -2.229 0.000 4.737) 5.235 0.973 ( -2.022 0.000 1.442) 2.484 1.064 ( -1.131 0.000 3.392) 3.576 1.105 ( 2.898 0.000 4.954) 5.740 1.147 ( -3.655 0.000 6.225) 7.219 1.212 ( -1.359 0.000 5.704) 5.864 1.293 ( -2.154 0.000 1.266) 2.499 1.305 ( 0.272 0.000 -0.640) 0.695 1.358 ( -1.881 0.000 -2.802) 3.375 1.417 ( -0.378 0.000 2.526) 2.554 1.452 ( -3.024 0.000 4.980) 5.827 1.494 ( -2.106 0.000 0.192) 2.115 1.612 ( 0.777 0.000 5.167) 5.225 1.631 ( 2.782 0.000 -0.229) 2.792 1.665 ( -1.587 0.000 5.633) 5.853 1.670 ( 2.254 0.000 2.940) 3.705 1.796 ( -2.552 0.000 -4.271) 4.976 1.846 ( 1.995 0.000 3.316) 3.869 1.865 ( 0.176 0.000 0.201) 0.267 1.924 ( -1.966 0.000 2.222) 2.967 1.950 ( -2.076 0.000 2.821) 3.502 2.054 ( 7.974 0.000 -2.243) 8.283 2.110 ( -3.024 0.000 3.608) 4.707 2.164 ( -2.474 0.000 1.568) 2.929 2.217 ( 0.424 0.000 5.710) 5.726 2.278 ( 4.407 0.000 0.430) 4.428 2.370 ( 1.669 0.000 -3.329) 3.724 2.482 ( 2.643 0.000 6.941) 7.427 2.531 ( -5.305 0.000 14.524) 15.462 2.571 ( 2.766 0.000 9.935) 10.313 2.638 ( -5.441 0.000 14.013) 15.032 2.766 ( 0.808 0.000 5.266) 5.327 2.779 ( -2.584 0.000 10.227) 10.549 2.844 ( -6.505 0.000 15.246) 16.575 2.997 ( -1.114 0.000 7.310) 7.394 3.077 ( -2.809 0.000 9.023) 9.450 3.153 ( -2.219 0.000 6.280) 6.661 3.162 ( -0.428 0.000 7.614) 7.626 3.360 ( -1.921 0.000 2.526) 3.173 3.380 ( 4.881 0.000 0.084) 4.881 3.403 ( 1.841 0.000 -2.201) 2.869 3.565 ( 8.312 0.000 0.561) 8.331 3.635 ( 4.011 0.000 -2.696) 4.833 3.751 ( -2.718 0.000 4.911) 5.613 3.772 ( -3.763 0.000 0.921) 3.874 3.801 ( 0.806 0.000 -1.227) 1.468 3.971 ( -0.208 0.000 -5.417) 5.421 4.065 ( -2.774 0.000 -2.772) 3.921 4.087 ( 0.727 0.000 -0.926) 1.177 4.331 ( 0.789 0.000 0.418) 0.893 4.414 ( -0.522 0.000 -5.366) 5.391 4.504 ( -0.277 0.000 1.191) 1.223 4.561 ( 3.369 0.000 -1.660) 3.755 4.595 ( -0.105 0.000 -7.599) 7.599 4.694 ( -3.486 0.000 -1.102) 3.656 4.791 ( -2.354 0.000 -8.632) 8.947 4.855 ( -3.893 0.000 3.951) 5.547 5.050 ( 0.667 0.000 -6.543) 6.576 5.060 ( -2.661 0.000 2.216) 3.463 5.139 ( 7.312 0.000 -11.065) 13.263 5.352 ( -5.481 0.000 7.507) 9.295 5.557 ( 7.223 0.000 4.146) 8.328 5.569 ( -0.423 0.000 4.062) 4.084 5.800 ( -7.322 0.000 4.281) 8.481 5.897 ( -1.774 0.000 1.995) 2.669 6.095 ( 3.272 0.000 -3.016) 4.450 6.700 ( -2.362 0.000 1.326) 2.708 6.751 ( -4.188 0.000 -2.285) 4.770 7.282 ( 2.953 0.000 7.210) 7.792 7.630 ( -1.717 0.000 -2.640) 3.150 7.775 ( -0.043 0.000 1.066) 1.067 7.825 ( -0.131 0.000 -0.032) 0.135 8.100 ( -0.386 0.000 -0.554) 0.675 8.163 ( -0.275 0.000 1.315) 1.343 8.970 ( -0.080 0.000 2.781) 2.782 9.319 ( 0.390 0.000 -3.133) 3.157 9.918 ( 0.920 0.000 -3.665) 3.779 9.925 ( 0.029 0.000 -3.777) 3.777 10.424 ( 1.875 0.000 -10.673) 10.837 10.482 ( 4.926 0.000 -19.797) 20.400 10.526 ( 1.426 0.000 -0.153) 1.434 10.633 ( 3.005 0.000 -25.049) 25.228 10.838 ( 2.294 0.000 -17.234) 17.386 10.912 ( 0.896 0.000 -5.919) 5.986 10.959 ( 0.946 0.000 -21.150) 21.172 11.018 ( 1.587 0.000 -10.309) 10.430 11.122 ( 3.862 0.000 -4.339) 5.809 11.627 ( -3.105 0.000 8.866) 9.394 11.729 ( 2.591 0.000 -9.701) 10.041 12.250 ( -0.981 0.000 -4.123) 4.239 12.459 ( -0.290 0.000 9.950) 9.954 12.848 ( 0.019 0.000 3.827) 3.827 13.093 ( 0.485 0.000 -1.500) 1.577 13.188 ( -0.172 0.000 -2.688) 2.694 13.350 ( 0.332 0.000 3.783) 3.797 13.354 ( -3.312 0.000 5.422) 6.354 13.604 ( 1.825 0.000 0.147) 1.830 13.627 ( 0.323 0.000 -0.383) 0.501 14.707 ( 1.576 0.000 -1.615) 2.257 14.789 ( -0.449 0.000 -2.196) 2.242 14.832 ( 0.556 0.000 -4.457) 4.491 14.921 ( 2.686 0.000 -4.450) 5.198 15.145 ( -2.332 0.000 -0.826) 2.474 15.187 ( -0.753 0.000 -0.661) 1.002 15.262 ( 0.668 0.000 0.518) 0.845 15.373 ( 0.855 0.000 -1.705) 1.908 15.488 ( -0.538 0.000 1.042) 1.173 15.557 ( -0.710 0.000 0.243) 0.750 15.588 ( -0.497 0.000 0.305) 0.583 15.765 ( 0.206 0.000 0.525) 0.564 15.770 ( 1.766 0.000 -2.660) 3.193 15.848 ( -1.204 0.000 -1.452) 1.886 16.113 ( 2.761 0.000 -0.044) 2.761 16.269 ( 1.295 0.000 -4.351) 4.540 17.265 ( -6.595 0.000 7.804) 10.218 17.412 ( -2.399 0.000 8.936) 9.252 17.590 ( -1.895 0.000 7.860) 8.085 17.622 ( -0.351 0.000 5.472) 5.484 17.659 ( 0.215 0.000 -0.743) 0.774 17.743 ( -0.177 0.000 5.390) 5.393 17.932 ( 1.181 0.000 2.418) 2.691 17.954 ( -0.475 0.000 2.979) 3.017 26.451 ( -0.078 0.000 1.702) 1.703 26.566 ( -3.330 0.000 0.315) 3.345 26.607 ( -0.174 0.000 -1.109) 1.122 26.715 ( 1.681 0.000 -1.450) 2.220 26.753 ( 0.828 0.000 0.799) 1.150 26.831 ( 0.255 0.000 2.419) 2.433 26.862 ( 0.302 0.000 -0.665) 0.731 26.982 ( -2.647 0.000 -0.283) 2.662 27.165 ( -0.482 0.000 2.005) 2.062 27.396 ( -0.368 0.000 1.824) 1.861 27.400 ( 3.011 0.000 -6.976) 7.598 27.589 ( -1.605 0.000 1.670) 2.316 27.594 ( -0.165 0.000 1.640) 1.648 27.786 ( -5.864 0.000 -1.151) 5.976 27.846 ( -1.297 0.000 5.839) 5.982 27.955 ( 1.953 0.000 -0.868) 2.137 27.956 ( 0.420 0.000 4.698) 4.716 28.205 ( -3.579 0.000 5.119) 6.246 28.374 ( -1.044 0.000 -5.445) 5.544 28.455 ( -1.120 0.000 3.714) 3.879 28.658 ( 0.063 0.000 6.258) 6.258 28.840 ( 0.024 0.000 0.646) 0.646 28.882 ( 1.764 0.000 2.629) 3.166 29.715 ( 11.824 0.000 -10.381) 15.735 30.598 ( 1.179 0.000 3.973) 4.144 30.742 ( -1.092 0.000 1.740) 2.054 30.772 ( -0.490 0.000 2.761) 2.805 31.368 ( 1.252 0.000 -1.187) 1.725 31.479 ( 5.033 0.000 -11.171) 12.253 31.676 ( -9.652 0.000 -7.375) 12.147 31.918 ( -3.656 0.000 9.504) 10.183 32.378 ( 1.256 0.000 -3.606) 3.819 ======================= Grid point 51 (26/63) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.951 0.000 12.098) 12.135 0.724 ( 4.835 0.000 9.367) 10.541 0.866 ( -3.271 0.000 3.720) 4.953 0.965 ( -0.513 0.000 0.981) 1.107 1.064 ( 0.070 0.000 0.951) 0.953 1.082 ( -0.096 0.000 9.551) 9.551 1.115 ( -2.365 0.000 3.825) 4.497 1.218 ( -2.625 0.000 3.458) 4.341 1.249 ( 0.398 0.000 0.947) 1.028 1.283 ( -2.388 0.000 -0.501) 2.440 1.356 ( 0.169 0.000 3.640) 3.644 1.382 ( -2.590 0.000 -1.896) 3.209 1.413 ( -1.391 0.000 1.257) 1.875 1.480 ( 1.091 0.000 2.581) 2.802 1.609 ( -3.118 0.000 3.426) 4.632 1.665 ( -0.664 0.000 0.235) 0.704 1.670 ( 0.328 0.000 4.424) 4.436 1.723 ( -1.748 0.000 -0.751) 1.902 1.733 ( 3.155 0.000 -1.739) 3.603 1.832 ( -1.608 0.000 2.496) 2.969 1.891 ( -0.765 0.000 6.055) 6.103 1.895 ( -4.331 0.000 -1.145) 4.480 1.953 ( 3.592 0.000 0.923) 3.709 2.060 ( -2.750 0.000 3.720) 4.626 2.065 ( -3.333 0.000 5.133) 6.120 2.197 ( -2.549 0.000 3.642) 4.446 2.234 ( 5.844 0.000 -3.901) 7.026 2.382 ( 3.074 0.000 2.298) 3.838 2.394 ( 1.588 0.000 -1.735) 2.352 2.481 ( -5.120 0.000 15.960) 16.761 2.535 ( -0.160 0.000 16.655) 16.656 2.653 ( 0.174 0.000 11.813) 11.814 2.683 ( 3.849 0.000 4.944) 6.265 2.749 ( -2.363 0.000 1.517) 2.808 2.780 ( -3.756 0.000 22.836) 23.143 2.826 ( 2.910 0.000 3.428) 4.497 3.004 ( -0.719 0.000 5.771) 5.816 3.079 ( -1.133 0.000 11.806) 11.861 3.161 ( -2.020 0.000 6.761) 7.056 3.167 ( 3.154 0.000 1.585) 3.530 3.307 ( -3.793 0.000 0.143) 3.796 3.365 ( -1.691 0.000 3.624) 3.999 3.424 ( 1.322 0.000 2.234) 2.596 3.660 ( -8.345 0.000 7.925) 11.509 3.679 ( -1.050 0.000 1.360) 1.718 3.754 ( 5.015 0.000 -2.314) 5.523 3.910 ( 6.374 0.000 0.664) 6.409 3.914 ( -2.737 0.000 -5.537) 6.177 3.978 ( 2.285 0.000 -7.872) 8.197 4.057 ( 26.217 0.000 -15.926) 30.675 4.106 ( 1.759 0.000 -0.491) 1.826 4.296 ( -3.885 0.000 -0.669) 3.943 4.321 ( -4.902 0.000 -0.639) 4.943 4.544 ( 3.227 0.000 1.728) 3.661 4.574 ( -3.975 0.000 -1.771) 4.351 4.596 ( 2.424 0.000 -6.258) 6.711 4.665 ( 1.752 0.000 -3.818) 4.201 4.808 ( -1.530 0.000 3.530) 3.847 4.826 ( 6.910 0.000 -9.300) 11.586 5.044 ( 1.678 0.000 -8.464) 8.629 5.059 ( 2.475 0.000 3.085) 3.955 5.218 ( 2.649 0.000 -8.650) 9.047 5.273 ( -4.226 0.000 9.818) 10.689 5.529 ( -2.813 0.000 0.486) 2.855 5.623 ( -9.063 0.000 8.170) 12.202 5.746 ( 5.889 0.000 3.856) 7.039 5.814 ( -7.194 0.000 2.727) 7.693 6.152 ( 2.502 0.000 -1.115) 2.739 6.660 ( -1.551 0.000 2.173) 2.670 6.679 ( -1.354 0.000 -1.744) 2.208 7.376 ( 3.315 0.000 7.041) 7.782 7.616 ( 1.443 0.000 -2.546) 2.927 7.744 ( -3.432 0.000 0.843) 3.534 7.815 ( -0.672 0.000 -0.458) 0.813 8.063 ( -2.257 0.000 -0.944) 2.447 8.171 ( 0.440 0.000 1.377) 1.446 8.980 ( 0.042 0.000 2.895) 2.895 9.308 ( -0.292 0.000 -2.886) 2.901 9.913 ( 0.267 0.000 -5.389) 5.395 9.918 ( 0.714 0.000 -4.072) 4.134 10.428 ( 2.062 0.000 -12.271) 12.443 10.479 ( 1.924 0.000 -22.439) 22.522 10.546 ( -0.134 0.000 3.633) 3.635 10.631 ( 4.663 0.000 -21.263) 21.768 10.818 ( 1.120 0.000 -11.190) 11.245 10.873 ( -1.953 0.000 -7.809) 8.050 10.915 ( 2.094 0.000 -22.079) 22.178 11.010 ( 1.200 0.000 -9.660) 9.734 11.159 ( 2.172 0.000 -11.367) 11.572 11.618 ( -0.962 0.000 11.070) 11.112 11.722 ( 0.074 0.000 -9.094) 9.094 12.256 ( 2.740 0.000 -4.231) 5.040 12.503 ( 0.899 0.000 10.092) 10.132 12.848 ( -1.397 0.000 3.113) 3.412 13.118 ( 2.477 0.000 -1.846) 3.089 13.169 ( -0.547 0.000 -2.550) 2.607 13.280 ( -4.763 0.000 4.934) 6.858 13.342 ( -2.366 0.000 2.879) 3.727 13.632 ( 0.469 0.000 0.808) 0.934 13.634 ( 0.351 0.000 0.211) 0.409 14.714 ( -0.323 0.000 -2.250) 2.273 14.800 ( 1.999 0.000 -1.596) 2.558 14.830 ( 0.820 0.000 -5.033) 5.099 14.941 ( -0.092 0.000 -2.853) 2.854 15.083 ( -2.093 0.000 -0.506) 2.153 15.151 ( -2.074 0.000 -0.006) 2.074 15.280 ( 0.599 0.000 0.093) 0.607 15.398 ( 1.779 0.000 -1.972) 2.656 15.479 ( -0.488 0.000 0.561) 0.743 15.535 ( -0.979 0.000 -1.740) 1.996 15.592 ( 0.579 0.000 3.136) 3.189 15.764 ( -0.795 0.000 0.789) 1.120 15.807 ( 1.481 0.000 -1.030) 1.804 15.824 ( 0.287 0.000 -3.006) 3.020 16.152 ( 0.838 0.000 -0.992) 1.299 16.280 ( 1.173 0.000 -4.332) 4.488 17.226 ( 0.042 0.000 8.916) 8.917 17.386 ( -2.804 0.000 8.571) 9.018 17.563 ( -2.099 0.000 5.102) 5.517 17.644 ( -0.071 0.000 6.211) 6.211 17.690 ( 1.512 0.000 2.687) 3.083 17.739 ( -1.289 0.000 3.872) 4.081 17.964 ( 0.224 0.000 3.287) 3.295 17.970 ( 1.395 0.000 1.853) 2.319 26.459 ( 0.102 0.000 1.823) 1.826 26.526 ( -0.205 0.000 -0.782) 0.808 26.611 ( 1.030 0.000 -1.476) 1.800 26.726 ( -0.353 0.000 -0.532) 0.639 26.764 ( -0.175 0.000 2.008) 2.016 26.839 ( -0.266 0.000 2.621) 2.634 26.849 ( -1.873 0.000 -0.264) 1.891 26.953 ( 1.052 0.000 -1.795) 2.080 27.144 ( -2.204 0.000 2.643) 3.441 27.407 ( 0.836 0.000 1.773) 1.960 27.418 ( 0.670 0.000 -7.336) 7.366 27.539 ( -1.939 0.000 1.494) 2.448 27.578 ( -0.218 0.000 2.192) 2.202 27.806 ( 2.228 0.000 8.777) 9.055 27.822 ( -1.847 0.000 2.058) 2.765 27.971 ( -1.223 0.000 6.176) 6.296 27.994 ( 0.175 0.000 -0.185) 0.254 28.096 ( -1.183 0.000 -0.455) 1.268 28.456 ( 4.430 0.000 0.128) 4.432 28.473 ( 1.242 0.000 5.128) 5.276 28.691 ( 0.482 0.000 8.105) 8.119 28.823 ( -1.531 0.000 -1.480) 2.129 28.971 ( 6.506 0.000 -1.803) 6.752 29.798 ( 0.393 0.000 -18.305) 18.309 30.603 ( -1.959 0.000 3.577) 4.079 30.751 ( -2.029 0.000 1.818) 2.725 30.795 ( 6.203 0.000 -1.049) 6.291 31.396 ( -10.317 0.000 -5.157) 11.534 31.450 ( 6.197 0.000 0.767) 6.245 31.577 ( 3.950 0.000 -6.227) 7.374 31.847 ( -5.939 0.000 8.926) 10.721 32.302 ( -6.246 0.000 -1.694) 6.472 ======================= Grid point 52 (27/63) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -6.896 0.000 11.612) 13.506 0.685 ( -8.616 0.000 -2.659) 9.017 0.873 ( 1.682 0.000 2.649) 3.138 0.897 ( -3.847 0.000 7.550) 8.474 1.055 ( -0.692 0.000 -1.112) 1.309 1.071 ( -3.023 0.000 3.113) 4.339 1.156 ( -1.591 0.000 4.092) 4.390 1.248 ( -1.451 0.000 0.651) 1.591 1.265 ( 8.478 0.000 2.874) 8.952 1.287 ( 1.177 0.000 -0.190) 1.192 1.337 ( -0.503 0.000 1.164) 1.268 1.369 ( 1.304 0.000 5.844) 5.988 1.419 ( 0.855 0.000 1.459) 1.691 1.498 ( -0.481 0.000 -0.726) 0.871 1.558 ( -1.499 0.000 3.795) 4.081 1.636 ( -1.560 0.000 -2.028) 2.558 1.664 ( 0.753 0.000 -4.205) 4.272 1.737 ( -2.468 0.000 3.901) 4.616 1.742 ( -1.139 0.000 1.111) 1.591 1.783 ( -5.160 0.000 3.785) 6.399 1.818 ( -0.353 0.000 3.295) 3.314 1.906 ( 0.886 0.000 7.039) 7.094 2.008 ( -3.404 0.000 2.002) 3.949 2.019 ( -2.025 0.000 1.146) 2.327 2.061 ( 5.225 0.000 -0.703) 5.272 2.187 ( 0.880 0.000 2.586) 2.732 2.249 ( -2.955 0.000 1.065) 3.141 2.395 ( -5.143 0.000 9.064) 10.422 2.430 ( -0.127 0.000 3.257) 3.259 2.436 ( -1.196 0.000 10.492) 10.560 2.606 ( 0.500 0.000 7.562) 7.578 2.637 ( -4.575 0.000 12.207) 13.036 2.662 ( -2.518 0.000 11.641) 11.911 2.792 ( -1.539 0.000 18.231) 18.296 2.864 ( 5.313 0.000 7.785) 9.425 2.878 ( -0.071 0.000 4.696) 4.697 3.026 ( 2.037 0.000 3.182) 3.778 3.111 ( 1.033 0.000 9.986) 10.039 3.124 ( -4.710 0.000 11.832) 12.735 3.229 ( -3.180 0.000 -2.709) 4.177 3.239 ( 0.191 0.000 7.338) 7.341 3.421 ( 4.116 0.000 6.860) 8.000 3.450 ( -0.257 0.000 2.650) 2.662 3.497 ( -7.678 0.000 4.685) 8.995 3.675 ( 0.751 0.000 1.911) 2.054 3.807 ( -3.288 0.000 -7.181) 7.898 3.842 ( 2.562 0.000 -2.757) 3.763 3.973 ( 1.581 0.000 -7.723) 7.883 3.989 ( 0.720 0.000 -0.906) 1.157 4.142 ( 1.248 0.000 -2.586) 2.872 4.226 ( -0.645 0.000 -3.203) 3.268 4.228 ( -3.243 0.000 -3.509) 4.778 4.451 ( -4.925 0.000 -2.951) 5.741 4.525 ( 17.350 0.000 -14.184) 22.410 4.595 ( 0.705 0.000 1.447) 1.610 4.662 ( 6.065 0.000 -5.307) 8.059 4.693 ( 3.138 0.000 -6.843) 7.528 4.806 ( -0.750 0.000 1.854) 2.000 4.910 ( 3.874 0.000 -7.697) 8.617 5.073 ( 3.958 0.000 -9.284) 10.092 5.179 ( -2.740 0.000 -4.905) 5.618 5.185 ( 6.716 0.000 4.649) 8.169 5.247 ( -0.613 0.000 7.153) 7.179 5.427 ( -11.570 0.000 7.374) 13.720 5.494 ( -2.279 0.000 0.283) 2.296 5.673 ( -4.100 0.000 1.589) 4.397 5.877 ( 5.054 0.000 3.221) 5.993 6.173 ( -0.652 0.000 0.901) 1.112 6.661 ( 0.751 0.000 2.916) 3.011 6.692 ( 2.825 0.000 -1.073) 3.022 7.432 ( -1.714 0.000 7.872) 8.057 7.664 ( -2.905 0.000 -0.177) 2.910 7.664 ( 3.540 0.000 -2.066) 4.099 7.798 ( -0.608 0.000 -0.855) 1.049 8.026 ( -0.888 0.000 -0.140) 0.899 8.184 ( 0.365 0.000 0.827) 0.904 8.988 ( -0.404 0.000 2.845) 2.874 9.297 ( 0.292 0.000 -2.582) 2.599 9.898 ( 0.329 0.000 -6.022) 6.031 9.925 ( 1.123 0.000 -2.919) 3.128 10.416 ( 0.436 0.000 -7.754) 7.766 10.431 ( 2.046 0.000 -24.741) 24.826 10.551 ( -0.069 0.000 0.039) 0.079 10.659 ( 4.625 0.000 -20.301) 20.821 10.811 ( -0.810 0.000 -6.738) 6.787 10.812 ( 2.817 0.000 -17.243) 17.472 10.898 ( 2.919 0.000 -15.647) 15.917 11.004 ( 1.484 0.000 -9.550) 9.665 11.144 ( 0.744 0.000 -11.907) 11.931 11.650 ( -0.271 0.000 11.625) 11.629 11.689 ( 0.295 0.000 -9.667) 9.672 12.307 ( 2.983 0.000 -3.763) 4.802 12.542 ( -1.158 0.000 9.620) 9.690 12.823 ( -1.623 0.000 3.671) 4.013 13.156 ( 0.266 0.000 -2.211) 2.227 13.177 ( 3.690 0.000 -1.774) 4.094 13.230 ( -1.141 0.000 4.463) 4.606 13.278 ( -4.314 0.000 0.909) 4.409 13.628 ( -1.001 0.000 0.926) 1.364 13.638 ( -0.228 0.000 1.057) 1.081 14.693 ( -0.651 0.000 -2.509) 2.592 14.833 ( 1.180 0.000 -4.881) 5.022 14.835 ( 1.548 0.000 -1.563) 2.200 14.901 ( -2.179 0.000 -1.657) 2.738 15.077 ( 1.294 0.000 -1.588) 2.049 15.119 ( -0.718 0.000 0.058) 0.720 15.284 ( -0.153 0.000 0.265) 0.306 15.415 ( 0.392 0.000 -2.086) 2.123 15.475 ( 0.064 0.000 0.197) 0.207 15.520 ( 0.302 0.000 -2.111) 2.133 15.619 ( 0.293 0.000 3.618) 3.630 15.745 ( -0.803 0.000 0.430) 0.911 15.794 ( -0.575 0.000 -2.666) 2.728 15.858 ( 2.018 0.000 -1.142) 2.318 16.147 ( -0.884 0.000 -0.750) 1.159 16.282 ( 0.404 0.000 -4.118) 4.138 17.299 ( 3.696 0.000 6.593) 7.558 17.371 ( -1.161 0.000 7.574) 7.663 17.547 ( -1.481 0.000 6.460) 6.628 17.634 ( -2.691 0.000 4.642) 5.366 17.722 ( 0.627 0.000 2.163) 2.252 17.740 ( -0.319 0.000 4.871) 4.882 17.978 ( -0.133 0.000 3.803) 3.805 17.987 ( -0.482 0.000 1.198) 1.291 26.465 ( -0.075 0.000 1.663) 1.665 26.551 ( 2.654 0.000 -0.728) 2.752 26.636 ( 1.625 0.000 -1.691) 2.345 26.710 ( -0.576 0.000 -1.680) 1.776 26.760 ( -1.051 0.000 2.393) 2.614 26.803 ( -1.789 0.000 -0.142) 1.795 26.839 ( -0.633 0.000 1.987) 2.085 26.991 ( 2.358 0.000 -1.429) 2.757 27.111 ( -1.631 0.000 3.834) 4.166 27.389 ( -1.075 0.000 -3.314) 3.484 27.432 ( 0.599 0.000 1.835) 1.930 27.541 ( 0.404 0.000 1.053) 1.128 27.593 ( 0.736 0.000 3.149) 3.234 27.796 ( -1.183 0.000 1.309) 1.765 27.858 ( 0.146 0.000 10.514) 10.515 27.954 ( -2.205 0.000 6.491) 6.855 27.970 ( -0.334 0.000 -2.253) 2.278 28.149 ( 3.089 0.000 -1.211) 3.318 28.524 ( 0.676 0.000 9.077) 9.102 28.528 ( 2.809 0.000 3.612) 4.576 28.728 ( 0.700 0.000 6.780) 6.816 28.769 ( -2.730 0.000 -4.005) 4.847 29.106 ( 6.953 0.000 -4.578) 8.325 29.629 ( -9.527 0.000 -18.635) 20.929 30.558 ( -2.979 0.000 2.875) 4.140 30.721 ( -0.995 0.000 0.911) 1.349 30.947 ( 7.874 0.000 -5.870) 9.821 31.192 ( -6.508 0.000 -3.934) 7.605 31.564 ( 1.953 0.000 2.187) 2.932 31.690 ( 8.788 0.000 -3.325) 9.396 31.777 ( -1.954 0.000 8.336) 8.562 32.161 ( -6.328 0.000 -1.560) 6.518 ======================= Grid point 53 (28/63) ======================= q-point: (-0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -13.113 0.000 -8.182) 15.456 0.525 ( -6.855 0.000 13.891) 15.491 0.900 ( 1.228 0.000 5.823) 5.951 0.926 ( 2.231 0.000 -0.391) 2.265 1.046 ( -0.630 0.000 3.909) 3.959 1.055 ( 1.071 0.000 2.953) 3.141 1.152 ( -0.544 0.000 3.145) 3.192 1.208 ( -2.257 0.000 1.791) 2.882 1.303 ( -0.970 0.000 3.575) 3.705 1.305 ( 2.410 0.000 -4.763) 5.338 1.416 ( -0.459 0.000 4.443) 4.466 1.419 ( -0.837 0.000 -0.824) 1.174 1.461 ( 3.334 0.000 4.823) 5.863 1.467 ( 0.927 0.000 2.052) 2.252 1.588 ( -0.821 0.000 1.965) 2.130 1.627 ( 1.948 0.000 -1.815) 2.662 1.653 ( -1.310 0.000 2.877) 3.161 1.695 ( -3.502 0.000 5.831) 6.802 1.710 ( 4.520 0.000 -0.479) 4.545 1.721 ( -1.650 0.000 0.163) 1.658 1.869 ( 1.341 0.000 4.449) 4.646 1.891 ( -4.169 0.000 1.954) 4.604 1.983 ( 1.333 0.000 2.875) 3.169 2.007 ( 1.181 0.000 -2.155) 2.457 2.114 ( -0.873 0.000 4.633) 4.715 2.153 ( -6.883 0.000 4.165) 8.045 2.229 ( 0.824 0.000 -1.387) 1.613 2.321 ( -3.362 0.000 11.460) 11.943 2.405 ( -2.401 0.000 4.672) 5.253 2.467 ( 0.291 0.000 8.764) 8.769 2.535 ( -4.707 0.000 -4.643) 6.611 2.640 ( -3.809 0.000 12.459) 13.029 2.668 ( -1.472 0.000 20.381) 20.434 2.806 ( -2.461 0.000 13.653) 13.873 2.855 ( -3.320 0.000 5.913) 6.781 2.961 ( -3.107 0.000 22.605) 22.817 3.080 ( -1.486 0.000 9.968) 10.078 3.123 ( 6.961 0.000 -3.121) 7.628 3.148 ( -4.350 0.000 0.404) 4.368 3.176 ( -0.760 0.000 12.587) 12.610 3.212 ( -2.715 0.000 6.439) 6.988 3.345 ( -6.780 0.000 4.465) 8.118 3.435 ( -1.250 0.000 -0.413) 1.316 3.558 ( 2.777 0.000 6.646) 7.203 3.711 ( 1.054 0.000 0.496) 1.165 3.787 ( 3.635 0.000 -6.645) 7.574 3.787 ( -6.104 0.000 2.253) 6.507 3.967 ( 0.081 0.000 -7.558) 7.558 3.970 ( -1.021 0.000 -3.110) 3.273 4.122 ( -1.795 0.000 -4.478) 4.824 4.188 ( 2.151 0.000 -9.536) 9.776 4.258 ( 3.773 0.000 -3.986) 5.489 4.306 ( -6.958 0.000 -1.219) 7.064 4.580 ( -2.752 0.000 1.143) 2.980 4.646 ( -0.261 0.000 -1.908) 1.925 4.736 ( -2.437 0.000 -4.058) 4.734 4.795 ( 6.056 0.000 -11.799) 13.263 4.800 ( 5.238 0.000 -3.315) 6.199 4.960 ( 4.738 0.000 -8.452) 9.690 5.088 ( -2.020 0.000 -10.061) 10.262 5.113 ( -2.584 0.000 -3.557) 4.396 5.188 ( -5.132 0.000 7.576) 9.151 5.264 ( -1.788 0.000 6.227) 6.478 5.400 ( 6.698 0.000 4.920) 8.311 5.438 ( -0.822 0.000 5.035) 5.102 5.722 ( 6.482 0.000 -0.662) 6.516 5.954 ( 1.575 0.000 -1.671) 2.296 6.135 ( -2.957 0.000 0.627) 3.023 6.699 ( 1.544 0.000 2.745) 3.150 6.768 ( 4.221 0.000 -0.826) 4.301 7.341 ( -7.885 0.000 7.035) 10.568 7.674 ( 2.855 0.000 0.857) 2.981 7.712 ( 0.841 0.000 -1.795) 1.983 7.794 ( 0.781 0.000 -0.644) 1.013 8.031 ( 1.175 0.000 1.239) 1.708 8.186 ( -0.434 0.000 0.401) 0.591 8.980 ( -1.149 0.000 2.645) 2.883 9.302 ( 0.987 0.000 -2.625) 2.805 9.891 ( 0.992 0.000 -5.048) 5.144 9.938 ( 0.744 0.000 -1.706) 1.861 10.409 ( 4.320 0.000 -24.529) 24.906 10.410 ( 0.917 0.000 -2.919) 3.060 10.534 ( -0.372 0.000 -6.817) 6.827 10.670 ( 3.940 0.000 -23.416) 23.745 10.814 ( 4.600 0.000 -24.122) 24.557 10.816 ( 2.923 0.000 -3.628) 4.659 10.928 ( 4.101 0.000 -9.682) 10.515 11.006 ( 1.996 0.000 -10.014) 10.211 11.116 ( -0.035 0.000 -8.989) 8.989 11.671 ( -1.655 0.000 10.859) 10.984 11.677 ( 1.993 0.000 -10.461) 10.649 12.333 ( 0.517 0.000 -3.413) 3.452 12.512 ( -4.402 0.000 8.983) 10.004 12.821 ( -0.180 0.000 4.212) 4.216 13.162 ( 0.735 0.000 -2.624) 2.726 13.188 ( -3.798 0.000 0.650) 3.853 13.251 ( 3.648 0.000 -1.137) 3.821 13.268 ( 2.941 0.000 4.838) 5.662 13.602 ( -1.595 0.000 0.559) 1.690 13.632 ( -0.638 0.000 1.127) 1.295 14.677 ( 0.013 0.000 -2.287) 2.287 14.839 ( 0.573 0.000 -3.181) 3.232 14.842 ( -0.319 0.000 -1.866) 1.893 14.868 ( 0.277 0.000 -4.059) 4.068 15.110 ( 2.256 0.000 -1.191) 2.552 15.129 ( 1.593 0.000 -0.279) 1.618 15.278 ( -0.583 0.000 0.513) 0.777 15.403 ( -0.706 0.000 -1.805) 1.938 15.481 ( 0.353 0.000 0.368) 0.510 15.527 ( 0.873 0.000 -1.602) 1.824 15.618 ( -1.115 0.000 2.508) 2.745 15.749 ( 0.819 0.000 0.451) 0.935 15.774 ( -0.370 0.000 -3.235) 3.256 15.881 ( 0.448 0.000 -0.454) 0.638 16.115 ( -1.893 0.000 -0.658) 2.004 16.272 ( 0.080 0.000 -4.017) 4.017 17.388 ( 0.108 0.000 7.267) 7.268 17.391 ( 2.578 0.000 3.512) 4.356 17.548 ( -0.757 0.000 7.870) 7.906 17.594 ( -1.850 0.000 4.734) 5.083 17.726 ( -0.735 0.000 0.800) 1.086 17.740 ( -1.729 0.000 6.050) 6.292 17.960 ( -2.329 0.000 1.221) 2.630 17.982 ( -0.901 0.000 3.634) 3.744 26.463 ( -0.669 0.000 1.610) 1.744 26.617 ( 3.404 0.000 0.285) 3.416 26.647 ( -0.370 0.000 -1.329) 1.380 26.694 ( -0.058 0.000 -3.127) 3.128 26.734 ( -2.111 0.000 1.581) 2.637 26.800 ( 1.625 0.000 -0.167) 1.633 26.826 ( -0.925 0.000 1.151) 1.476 27.024 ( 1.053 0.000 -0.544) 1.185 27.117 ( 0.742 0.000 4.246) 4.310 27.364 ( -0.285 0.000 -2.583) 2.599 27.431 ( -1.319 0.000 1.723) 2.169 27.541 ( -0.545 0.000 1.517) 1.612 27.622 ( 0.657 0.000 3.133) 3.202 27.788 ( -0.016 0.000 2.732) 2.732 27.918 ( 1.464 0.000 8.821) 8.942 27.940 ( -1.379 0.000 7.323) 7.452 27.971 ( 2.053 0.000 -0.690) 2.166 28.147 ( -2.702 0.000 -4.295) 5.074 28.537 ( -3.060 0.000 10.750) 11.177 28.603 ( 2.507 0.000 3.918) 4.652 28.698 ( -2.382 0.000 -4.202) 4.830 28.771 ( 1.778 0.000 4.031) 4.406 29.183 ( -1.938 0.000 -8.006) 8.237 29.360 ( -5.661 0.000 -11.599) 12.907 30.524 ( -0.929 0.000 2.764) 2.916 30.723 ( 0.857 0.000 1.052) 1.357 30.932 ( -6.227 0.000 -1.191) 6.340 31.222 ( 9.569 0.000 -10.929) 14.526 31.511 ( -5.557 0.000 1.458) 5.745 31.845 ( 3.500 0.000 8.505) 9.197 31.886 ( 8.604 0.000 -4.596) 9.755 32.066 ( -0.066 0.000 -0.459) 0.464 ======================= Grid point 54 (29/63) ======================= q-point: (-0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( -0.431 0.000 6.270) 6.285 0.479 ( -1.324 0.000 16.344) 16.397 0.937 ( -0.785 0.000 2.331) 2.459 0.968 ( 3.467 0.000 2.925) 4.536 1.044 ( -1.175 0.000 2.339) 2.618 1.081 ( -1.196 0.000 4.242) 4.407 1.164 ( 1.213 0.000 2.166) 2.483 1.223 ( 3.473 0.000 1.507) 3.786 1.253 ( -5.646 0.000 9.292) 10.873 1.344 ( 1.778 0.000 -4.101) 4.470 1.401 ( -1.796 0.000 0.536) 1.874 1.403 ( 0.810 0.000 3.474) 3.567 1.491 ( 0.906 0.000 -2.110) 2.296 1.509 ( -4.253 0.000 4.224) 5.994 1.559 ( 2.707 0.000 5.931) 6.520 1.630 ( -1.201 0.000 0.190) 1.216 1.655 ( -2.893 0.000 6.071) 6.725 1.668 ( -0.024 0.000 3.235) 3.235 1.759 ( 4.483 0.000 1.463) 4.716 1.822 ( 1.892 0.000 -1.994) 2.749 1.853 ( 0.761 0.000 -1.213) 1.432 1.906 ( 4.754 0.000 1.351) 4.942 1.995 ( -3.294 0.000 3.182) 4.580 2.023 ( -5.984 0.000 4.743) 7.635 2.069 ( 5.307 0.000 -0.388) 5.321 2.110 ( 1.420 0.000 2.089) 2.526 2.198 ( -3.532 0.000 11.638) 12.162 2.342 ( 2.125 0.000 -2.440) 3.236 2.368 ( -5.344 0.000 -4.272) 6.841 2.429 ( -1.352 0.000 5.681) 5.840 2.503 ( 0.309 0.000 10.204) 10.208 2.593 ( -4.643 0.000 11.446) 12.352 2.694 ( -3.469 0.000 18.500) 18.823 2.794 ( -4.904 0.000 8.368) 9.699 2.795 ( -2.458 0.000 10.354) 10.642 2.912 ( -6.914 0.000 20.514) 21.648 3.035 ( -4.733 0.000 4.584) 6.589 3.129 ( -3.824 0.000 6.136) 7.230 3.130 ( 0.462 0.000 8.781) 8.793 3.193 ( -5.551 0.000 11.650) 12.905 3.280 ( 1.335 0.000 1.721) 2.178 3.288 ( 8.139 0.000 0.176) 8.141 3.403 ( -1.526 0.000 -1.471) 2.120 3.574 ( -2.939 0.000 6.247) 6.904 3.634 ( -3.776 0.000 -1.675) 4.131 3.759 ( -0.743 0.000 4.689) 4.747 3.830 ( -0.171 0.000 -5.030) 5.033 3.897 ( -5.298 0.000 -3.121) 6.149 3.958 ( 2.443 0.000 -5.740) 6.238 4.081 ( -0.071 0.000 -3.199) 3.200 4.147 ( -4.593 0.000 -3.922) 6.040 4.301 ( 8.704 0.000 -8.349) 12.061 4.306 ( 1.582 0.000 -1.481) 2.167 4.519 ( -1.994 0.000 0.858) 2.170 4.601 ( -3.466 0.000 0.085) 3.467 4.653 ( -2.740 0.000 -6.400) 6.962 4.781 ( -3.152 0.000 -4.609) 5.584 4.889 ( 1.665 0.000 0.870) 1.879 4.928 ( -6.576 0.000 -9.282) 11.375 5.038 ( 3.106 0.000 -6.311) 7.034 5.062 ( 1.417 0.000 -8.238) 8.359 5.124 ( -3.755 0.000 2.585) 4.559 5.328 ( 4.761 0.000 3.919) 6.167 5.488 ( -0.316 0.000 6.408) 6.416 5.507 ( 4.033 0.000 4.862) 6.317 5.857 ( 5.257 0.000 1.190) 5.390 5.918 ( -4.011 0.000 -2.967) 4.989 6.079 ( -1.445 0.000 -1.836) 2.336 6.724 ( -0.243 0.000 1.838) 1.854 6.815 ( -0.177 0.000 -1.917) 1.925 7.244 ( -2.716 0.000 7.266) 7.757 7.684 ( -2.164 0.000 -2.533) 3.331 7.742 ( 2.740 0.000 1.393) 3.074 7.817 ( 0.964 0.000 0.108) 0.970 8.075 ( 2.202 0.000 1.306) 2.560 8.173 ( -0.889 0.000 0.766) 1.173 8.968 ( -0.744 0.000 2.632) 2.735 9.314 ( 1.018 0.000 -2.941) 3.112 9.903 ( 1.494 0.000 -3.539) 3.841 9.938 ( -0.091 0.000 -2.424) 2.426 10.424 ( 0.744 0.000 -1.951) 2.088 10.437 ( 5.983 0.000 -22.024) 22.822 10.508 ( 1.329 0.000 -9.706) 9.797 10.660 ( 3.216 0.000 -24.923) 25.130 10.832 ( 4.877 0.000 -23.070) 23.580 10.878 ( 3.667 0.000 -3.874) 5.334 10.981 ( 4.741 0.000 -17.639) 18.265 11.014 ( 2.177 0.000 -10.403) 10.628 11.084 ( -0.642 0.000 -0.823) 1.044 11.659 ( -2.770 0.000 9.395) 9.795 11.697 ( 3.417 0.000 -10.565) 11.104 12.303 ( -2.024 0.000 -3.605) 4.134 12.459 ( -3.165 0.000 9.382) 9.902 12.833 ( -0.059 0.000 4.291) 4.292 13.113 ( -2.142 0.000 -0.942) 2.340 13.187 ( 1.163 0.000 -2.708) 2.947 13.313 ( 2.167 0.000 2.156) 3.057 13.348 ( 1.983 0.000 5.794) 6.124 13.581 ( -0.105 0.000 -0.099) 0.145 13.625 ( -0.194 0.000 0.271) 0.333 14.681 ( 1.168 0.000 -1.847) 2.185 14.817 ( -1.199 0.000 -2.151) 2.462 14.836 ( 0.390 0.000 -3.279) 3.302 14.882 ( 2.369 0.000 -4.962) 5.499 15.151 ( 1.737 0.000 -1.122) 2.068 15.170 ( 2.196 0.000 -0.813) 2.341 15.264 ( -0.855 0.000 0.784) 1.160 15.380 ( -0.742 0.000 -1.754) 1.904 15.489 ( 0.093 0.000 0.873) 0.878 15.548 ( 1.298 0.000 0.382) 1.353 15.601 ( -0.879 0.000 0.167) 0.895 15.760 ( 0.310 0.000 -3.307) 3.321 15.763 ( 0.147 0.000 0.392) 0.418 15.874 ( -0.859 0.000 -0.562) 1.026 16.082 ( -0.448 0.000 0.244) 0.510 16.263 ( 0.598 0.000 -4.175) 4.218 17.381 ( -4.599 0.000 2.346) 5.163 17.413 ( -0.556 0.000 7.924) 7.943 17.571 ( -0.015 0.000 9.095) 9.095 17.611 ( 0.651 0.000 4.505) 4.552 17.695 ( -2.132 0.000 -1.337) 2.517 17.724 ( -1.244 0.000 7.528) 7.630 17.923 ( -1.257 0.000 2.143) 2.485 17.966 ( -1.555 0.000 3.101) 3.469 26.453 ( -0.689 0.000 1.536) 1.683 26.624 ( -1.009 0.000 -1.033) 1.444 26.636 ( -3.061 0.000 2.476) 3.937 26.691 ( 1.008 0.000 -3.137) 3.295 26.723 ( 1.838 0.000 -1.179) 2.184 26.819 ( -0.146 0.000 1.941) 1.946 26.843 ( 1.884 0.000 -0.174) 1.892 27.024 ( -1.083 0.000 0.249) 1.111 27.151 ( 0.935 0.000 2.881) 3.028 27.367 ( 1.817 0.000 -4.421) 4.780 27.406 ( -1.202 0.000 1.448) 1.882 27.551 ( 1.344 0.000 2.381) 2.735 27.621 ( -1.675 0.000 2.331) 2.870 27.820 ( 1.290 0.000 5.971) 6.109 27.926 ( -0.802 0.000 -0.660) 1.038 27.942 ( -0.794 0.000 6.064) 6.116 28.004 ( -7.794 0.000 -5.365) 9.463 28.098 ( 6.600 0.000 4.046) 7.742 28.490 ( -3.587 0.000 5.917) 6.919 28.583 ( -7.837 0.000 -2.792) 8.319 28.655 ( -1.242 0.000 1.456) 1.914 28.818 ( 1.467 0.000 2.350) 2.770 28.930 ( -9.167 0.000 -5.300) 10.589 29.470 ( 11.891 0.000 -1.482) 11.983 30.546 ( 1.869 0.000 3.472) 3.943 30.753 ( 1.208 0.000 2.033) 2.365 30.807 ( -5.256 0.000 0.891) 5.331 31.377 ( 8.685 0.000 -11.997) 14.810 31.406 ( -4.143 0.000 -0.519) 4.176 31.860 ( -5.022 0.000 -9.289) 10.560 31.920 ( 0.359 0.000 9.256) 9.263 32.243 ( 11.564 0.000 -0.792) 11.591 ======================= Grid point 55 (30/63) ======================= q-point: ( 0.00 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 8.814 5.179 9.843) 14.192 0.592 ( 0.709 1.777 10.854) 11.021 0.916 ( -0.429 -2.878 3.761) 4.755 0.962 ( 0.345 -3.358 2.043) 3.945 1.018 ( 0.065 -4.262 1.883) 4.660 1.059 ( -3.619 -4.036 4.875) 7.290 1.109 ( 0.874 -2.532 4.503) 5.239 1.163 ( -3.462 -1.045 2.638) 4.477 1.249 ( 0.207 -6.226 1.754) 6.471 1.282 ( -0.135 -0.524 2.203) 2.268 1.377 ( -3.970 -1.505 2.462) 4.908 1.396 ( -2.971 1.246 2.924) 4.351 1.438 ( -0.305 -2.851 0.563) 2.922 1.470 ( 0.651 -0.299 2.306) 2.414 1.538 ( 0.709 1.505 1.572) 2.289 1.608 ( 0.523 0.941 1.370) 1.742 1.640 ( 1.439 -2.126 -0.720) 2.667 1.726 ( -2.862 -4.093 0.923) 5.079 1.748 ( 1.370 -1.420 -0.044) 1.974 1.796 ( 1.860 -0.989 -0.313) 2.130 1.869 ( -1.426 0.027 1.420) 2.013 1.920 ( 3.625 -3.760 2.196) 5.666 2.008 ( 0.356 -3.302 2.214) 3.991 2.030 ( -1.061 2.951 6.053) 6.817 2.080 ( 0.196 -1.056 3.188) 3.364 2.108 ( -1.083 -1.519 5.055) 5.388 2.226 ( 5.292 3.207 3.805) 7.264 2.338 ( -1.935 4.159 1.081) 4.713 2.455 ( 1.177 5.279 4.119) 6.798 2.470 ( 5.760 2.451 10.050) 11.840 2.530 ( -6.455 -0.628 17.438) 18.605 2.601 ( -4.116 0.287 16.238) 16.754 2.677 ( -2.991 4.791 6.195) 8.383 2.747 ( -2.771 -0.663 16.229) 16.477 2.911 ( -5.365 7.374 6.491) 11.193 2.915 ( -0.905 1.016 1.623) 2.118 3.000 ( 0.044 0.772 4.544) 4.610 3.078 ( -3.251 0.049 10.300) 10.801 3.129 ( -2.539 -1.055 3.900) 4.772 3.179 ( 0.013 1.668 4.913) 5.188 3.277 ( 3.690 -5.012 4.669) 7.781 3.397 ( 2.754 -0.505 2.728) 3.910 3.449 ( 0.896 3.495 -2.162) 4.207 3.476 ( 2.494 -4.433 -1.291) 5.247 3.619 ( 0.818 -4.469 6.740) 8.129 3.706 ( 4.210 5.352 -0.161) 6.812 3.844 ( -1.824 -4.979 -0.642) 5.341 3.881 ( 1.359 5.053 -4.863) 7.143 3.921 ( -0.541 1.511 -6.668) 6.859 4.048 ( -4.331 2.356 -1.332) 5.107 4.180 ( -2.014 2.097 -3.718) 4.720 4.255 ( 2.584 -6.347 -0.204) 6.856 4.349 ( 0.363 -5.083 -3.790) 6.351 4.417 ( -4.361 -3.717 -1.097) 5.834 4.515 ( 5.386 1.002 -3.788) 6.660 4.671 ( -1.307 -1.212 -3.618) 4.033 4.753 ( -2.079 3.419 -4.011) 5.666 4.795 ( 0.275 0.771 -2.862) 2.977 4.887 ( -3.254 4.108 2.239) 5.699 5.023 ( -2.082 -1.985 0.264) 2.888 5.033 ( 1.620 -1.111 -5.975) 6.290 5.204 ( -0.228 1.177 -4.493) 4.650 5.278 ( -1.295 -2.421 5.433) 6.088 5.483 ( 7.593 -4.438 2.088) 9.040 5.611 ( -1.467 1.430 2.254) 3.046 5.755 ( -0.948 -2.143 4.385) 4.972 5.852 ( -5.520 -3.656 3.139) 7.328 5.960 ( 1.217 -8.849 -1.570) 9.069 6.786 ( 1.183 6.663 0.876) 6.824 6.848 ( -1.615 5.710 0.601) 5.964 7.360 ( 1.527 7.501 6.108) 9.794 7.708 ( -0.288 1.499 -1.328) 2.023 7.791 ( -1.719 0.729 1.364) 2.312 7.838 ( 0.244 4.440 -1.263) 4.623 7.979 ( -1.416 -7.634 1.519) 7.911 8.156 ( 0.332 -3.421 -1.284) 3.669 9.075 ( -0.766 10.103 2.452) 10.425 9.408 ( 0.969 7.056 -4.397) 8.370 9.748 ( -1.170 -10.268 -0.834) 10.368 9.908 ( 0.829 -5.536 -5.805) 8.064 10.446 ( 1.848 1.689 -12.995) 13.234 10.486 ( 3.223 -0.251 -14.915) 15.261 10.533 ( 3.233 1.229 -6.641) 7.488 10.625 ( 2.351 -1.338 -17.920) 18.123 10.818 ( 1.513 -0.241 -18.009) 18.074 10.891 ( 2.873 -1.377 -20.347) 20.595 10.976 ( 2.202 -0.000 -14.223) 14.392 11.008 ( 0.842 -0.157 -9.928) 9.965 11.197 ( 1.990 5.513 -0.186) 5.864 11.488 ( -0.921 -8.372 1.682) 8.589 11.857 ( 0.971 8.359 0.371) 8.424 12.209 ( -0.117 -4.161 -2.578) 4.896 12.558 ( -1.376 7.758 6.472) 10.196 12.821 ( -0.087 -2.620 3.682) 4.520 13.072 ( -0.168 -1.038 -0.887) 1.376 13.157 ( -0.096 -2.971 -1.881) 3.518 13.337 ( -1.217 -0.041 4.958) 5.106 13.361 ( -1.507 -0.191 3.576) 3.886 13.617 ( 1.461 0.992 -0.252) 1.783 13.633 ( 0.745 0.379 -0.511) 0.980 14.736 ( 0.977 2.199 -2.715) 3.628 14.788 ( -0.074 -0.034 -3.103) 3.104 14.838 ( 0.368 0.288 -3.873) 3.901 14.889 ( 2.375 -2.380 -3.553) 4.892 15.127 ( -1.676 -0.749 -0.139) 1.841 15.167 ( -0.718 -1.696 -0.341) 1.873 15.316 ( 0.515 3.345 -1.343) 3.641 15.378 ( 0.824 0.311 -2.175) 2.346 15.480 ( -0.245 0.077 0.613) 0.665 15.540 ( -0.903 -1.381 -0.121) 1.654 15.636 ( -0.187 3.992 0.065) 3.997 15.773 ( 0.213 1.020 0.313) 1.089 15.789 ( 1.001 0.243 -1.849) 2.117 15.874 ( -0.231 3.214 -2.810) 4.276 16.007 ( 2.423 -8.380 0.120) 8.724 16.161 ( 1.155 -8.058 -4.378) 9.243 17.297 ( -4.091 2.601 8.509) 9.793 17.424 ( -0.976 -0.664 8.783) 8.862 17.562 ( -2.386 -1.554 5.996) 6.638 17.588 ( -1.331 -0.385 7.841) 7.963 17.702 ( 0.013 2.364 2.674) 3.569 17.788 ( -2.060 2.697 2.869) 4.444 17.911 ( 1.564 -0.598 3.929) 4.271 17.981 ( 0.610 0.790 1.594) 1.881 26.475 ( -0.094 2.084 1.595) 2.626 26.566 ( -2.378 -0.248 0.654) 2.479 26.616 ( -0.604 0.473 -0.777) 1.092 26.670 ( 1.218 -2.381 -1.147) 2.910 26.783 ( 0.580 1.493 -0.150) 1.609 26.839 ( 0.667 -0.322 0.693) 1.014 26.858 ( -0.355 0.671 0.368) 0.844 26.949 ( -1.629 -2.421 -0.139) 2.921 27.207 ( -0.583 3.239 -0.051) 3.292 27.356 ( 0.437 -2.558 -2.990) 3.959 27.447 ( 0.880 2.902 -0.852) 3.150 27.567 ( -1.860 -1.426 0.755) 2.462 27.613 ( 0.606 1.321 2.694) 3.061 27.744 ( -1.405 -3.295 0.475) 3.613 27.878 ( -2.645 2.317 4.361) 5.602 27.926 ( -0.962 -0.133 3.052) 3.203 28.027 ( 1.001 3.369 0.442) 3.543 28.236 ( 5.504 -0.420 4.846) 7.346 28.271 ( -9.088 -2.859 -1.173) 9.599 28.467 ( -0.335 -1.013 -1.531) 1.866 28.627 ( -1.198 -2.536 8.755) 9.194 28.681 ( -1.629 -3.605 8.960) 9.794 29.158 ( 4.269 12.626 -5.805) 14.538 29.594 ( 10.452 -8.826 -6.854) 15.302 30.614 ( -0.168 1.647 1.455) 2.205 30.719 ( -1.583 -1.802 0.757) 2.515 30.928 ( 0.330 10.087 -0.563) 10.108 31.264 ( 0.781 -6.647 -3.434) 7.522 31.564 ( 4.287 5.501 -7.921) 10.554 31.683 ( -6.106 0.353 -6.647) 9.033 31.973 ( -3.861 4.581 6.215) 8.633 32.290 ( 0.471 -7.307 -1.529) 7.480 ======================= Grid point 56 (31/63) ======================= q-point: ( 0.20 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.922 -3.934 6.259) 7.950 0.713 ( 7.458 -1.260 9.515) 12.155 0.904 ( -1.687 -4.914 2.310) 5.686 0.927 ( -4.209 0.429 4.004) 5.825 1.007 ( -1.640 -1.969 1.606) 3.024 1.033 ( 0.673 -3.686 0.947) 3.864 1.098 ( -1.865 -1.940 6.233) 6.789 1.161 ( -0.658 -1.892 4.584) 5.003 1.274 ( -0.762 -2.480 3.331) 4.222 1.283 ( 3.185 -0.347 2.362) 3.980 1.345 ( -1.284 0.304 0.447) 1.393 1.365 ( -0.969 -0.461 1.683) 1.996 1.402 ( -2.125 0.917 0.055) 2.315 1.495 ( 0.918 0.206 0.527) 1.079 1.549 ( -0.824 -1.653 0.430) 1.896 1.627 ( -2.414 -2.989 -1.602) 4.163 1.633 ( 1.443 -0.003 1.889) 2.377 1.691 ( -0.476 -0.853 2.213) 2.419 1.773 ( 1.144 -0.342 -2.274) 2.569 1.817 ( -0.012 -2.050 0.771) 2.190 1.864 ( 0.840 -3.653 2.918) 4.750 1.943 ( -3.873 -4.236 3.633) 6.793 2.008 ( -0.006 -0.944 3.634) 3.755 2.021 ( -2.416 7.723 3.516) 8.823 2.069 ( -0.140 -5.123 3.097) 5.988 2.121 ( -0.284 2.526 5.292) 5.871 2.294 ( -1.922 3.821 1.184) 4.438 2.347 ( 4.054 1.587 5.681) 7.157 2.416 ( -5.039 -0.233 8.200) 9.627 2.510 ( -2.808 1.322 15.195) 15.509 2.583 ( -1.970 3.383 16.453) 16.913 2.638 ( 1.861 0.727 11.513) 11.685 2.675 ( 2.703 -0.877 4.196) 5.067 2.770 ( -2.289 -0.016 19.140) 19.276 2.793 ( -3.732 4.038 -0.199) 5.502 2.941 ( 1.820 4.973 1.984) 5.655 2.998 ( -1.760 -1.626 5.928) 6.394 3.071 ( -0.605 -1.853 7.157) 7.418 3.119 ( 0.545 -1.571 3.702) 4.058 3.208 ( -0.574 2.665 8.458) 8.887 3.306 ( -1.499 0.061 5.649) 5.845 3.399 ( 0.749 3.209 1.834) 3.771 3.451 ( -0.717 1.926 0.687) 2.167 3.545 ( -0.108 -7.193 -0.882) 7.247 3.724 ( 2.762 -1.446 2.167) 3.797 3.749 ( -1.256 2.017 2.198) 3.237 3.853 ( 0.059 -1.160 -5.546) 5.667 3.890 ( 4.566 -4.198 -0.699) 6.242 3.956 ( 1.638 -0.557 -4.797) 5.100 4.084 ( 1.288 -2.945 -5.643) 6.494 4.129 ( 14.747 5.919 -10.107) 18.832 4.282 ( 0.032 -1.836 0.843) 2.020 4.311 ( -3.576 0.735 -2.171) 4.247 4.428 ( 4.200 -6.223 -3.389) 8.238 4.576 ( 1.893 0.694 -1.074) 2.284 4.641 ( 0.362 -0.452 -3.450) 3.499 4.732 ( 1.446 5.762 -5.805) 8.306 4.803 ( -1.455 0.410 0.661) 1.650 4.883 ( 4.206 3.515 -3.254) 6.374 5.001 ( 0.584 -3.887 -2.872) 4.869 5.061 ( 3.318 -0.563 -2.745) 4.343 5.144 ( -3.082 -5.249 1.275) 6.219 5.329 ( 2.787 4.930 0.123) 5.664 5.527 ( -5.275 0.863 0.564) 5.375 5.647 ( -5.137 -2.182 7.126) 9.051 5.662 ( 3.139 -3.711 3.459) 5.966 5.800 ( -2.059 -0.881 2.483) 3.344 6.006 ( 2.628 -9.243 0.297) 9.614 6.748 ( -5.418 8.031 -0.840) 9.724 6.813 ( -0.731 7.211 1.108) 7.333 7.427 ( 2.387 4.913 6.570) 8.543 7.703 ( 0.192 1.439 -2.087) 2.542 7.726 ( -4.654 0.629 1.424) 4.907 7.838 ( 0.073 3.816 -0.786) 3.897 7.935 ( -2.525 -8.536 1.045) 8.963 8.159 ( 0.331 -3.343 -0.980) 3.499 9.080 ( 0.258 9.264 2.652) 9.639 9.413 ( 0.939 8.027 -4.093) 9.059 9.727 ( -0.342 -11.180 -0.852) 11.217 9.904 ( 0.837 -5.109 -6.311) 8.163 10.443 ( 2.602 1.026 -15.925) 16.169 10.481 ( 1.502 -0.116 -16.119) 16.189 10.555 ( 0.762 1.085 -2.889) 3.179 10.636 ( 3.692 -0.401 -13.969) 14.454 10.776 ( 0.803 -0.148 -15.291) 15.313 10.874 ( 2.953 -0.700 -23.698) 23.892 10.953 ( 0.618 0.628 -13.863) 13.891 10.996 ( 1.199 -0.870 -9.014) 9.135 11.219 ( 0.645 5.123 -3.958) 6.506 11.503 ( 1.289 -7.182 3.371) 8.038 11.844 ( -2.111 8.123 -0.171) 8.394 12.203 ( 0.652 -4.999 -2.981) 5.857 12.560 ( -0.866 5.086 7.627) 9.208 12.813 ( -1.907 -3.358 3.315) 5.089 13.094 ( 2.690 -0.703 -1.040) 2.968 13.154 ( 0.464 -1.401 -2.246) 2.688 13.302 ( -2.766 1.078 4.029) 5.004 13.337 ( -2.483 -0.609 3.019) 3.956 13.630 ( 0.016 0.498 0.517) 0.718 13.647 ( 0.318 0.436 0.171) 0.566 14.731 ( -0.176 1.486 -2.774) 3.152 14.797 ( 1.415 -0.572 -3.343) 3.675 14.839 ( 1.238 0.930 -3.802) 4.105 14.921 ( 1.481 -1.935 -3.101) 3.944 15.071 ( -3.052 -0.033 0.959) 3.199 15.133 ( -2.160 -1.649 0.293) 2.733 15.325 ( 0.725 2.954 -1.605) 3.439 15.398 ( 1.638 -0.143 -2.664) 3.131 15.480 ( 0.204 0.453 0.088) 0.505 15.534 ( 0.116 -0.970 -0.379) 1.048 15.624 ( -0.659 4.072 1.367) 4.345 15.767 ( -1.158 0.644 0.214) 1.342 15.799 ( 0.442 -0.777 -0.768) 1.178 15.877 ( 1.490 4.407 -3.383) 5.752 16.038 ( 0.423 -9.095 -0.599) 9.125 16.173 ( 1.287 -8.055 -4.363) 9.251 17.291 ( 0.330 4.334 8.844) 9.854 17.433 ( -1.302 3.077 7.490) 8.201 17.543 ( -0.965 -4.783 5.973) 7.713 17.569 ( -1.929 -0.045 6.593) 6.869 17.728 ( -1.619 0.298 5.599) 5.836 17.772 ( 1.414 3.512 1.774) 4.181 17.951 ( 0.600 -0.073 3.989) 4.035 18.011 ( 1.592 1.448 0.620) 2.240 26.481 ( 0.075 1.895 1.623) 2.496 26.536 ( -0.208 0.617 -0.369) 0.748 26.615 ( 0.930 0.319 -1.269) 1.605 26.689 ( 0.345 -2.565 0.129) 2.592 26.778 ( -0.911 0.763 0.464) 1.275 26.830 ( -1.803 -1.500 -0.432) 2.385 26.856 ( -0.020 1.535 1.996) 2.518 26.938 ( 1.163 -1.317 -1.068) 2.056 27.176 ( -2.231 2.695 1.104) 3.669 27.337 ( -1.024 -3.965 -1.255) 4.284 27.462 ( 0.768 2.098 -3.176) 3.883 27.531 ( -0.972 -0.556 -0.837) 1.398 27.617 ( -0.077 2.839 3.924) 4.844 27.772 ( 1.039 -2.849 4.193) 5.175 27.865 ( -0.353 2.829 5.885) 6.539 27.938 ( -0.172 -1.249 6.667) 6.785 28.025 ( -1.316 2.121 -0.453) 2.537 28.151 ( -0.824 2.782 -3.270) 4.371 28.375 ( 5.620 -4.293 3.800) 8.028 28.489 ( 2.133 -0.371 1.029) 2.397 28.635 ( -1.452 -5.123 9.091) 10.535 28.675 ( -1.537 -3.175 8.503) 9.205 29.224 ( 4.124 13.158 -8.226) 16.056 29.694 ( 1.954 -8.373 -14.453) 16.817 30.599 ( -1.911 0.414 2.878) 3.479 30.682 ( -1.691 -2.659 0.144) 3.155 30.963 ( 3.953 9.314 -2.531) 10.429 31.292 ( 1.265 -6.263 -2.413) 6.830 31.534 ( -4.352 4.737 -3.474) 7.311 31.624 ( 3.665 2.668 -6.050) 7.561 31.891 ( -5.701 4.370 7.232) 10.193 32.222 ( -5.499 -6.800 -0.533) 8.761 ======================= Grid point 57 (32/63) ======================= q-point: ( 0.40 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -3.937 -2.882 3.458) 5.980 0.733 ( -5.153 -6.733 -0.742) 8.511 0.845 ( -3.005 0.821 3.953) 5.033 0.952 ( 0.879 7.635 6.958) 10.367 0.990 ( 0.490 -3.350 3.739) 5.044 1.040 ( -1.596 -1.119 2.597) 3.247 1.111 ( 1.977 -5.939 -0.152) 6.261 1.177 ( 0.582 -0.492 5.694) 5.745 1.270 ( -0.597 -3.730 3.564) 5.193 1.310 ( -0.519 0.457 1.526) 1.676 1.334 ( -0.270 -0.989 0.304) 1.070 1.355 ( -0.208 1.204 0.105) 1.226 1.420 ( 3.827 -0.052 0.932) 3.939 1.498 ( -0.048 -0.502 -3.455) 3.492 1.523 ( -0.729 -0.713 3.577) 3.719 1.606 ( 0.698 -2.288 -3.069) 3.891 1.657 ( -0.082 0.139 -0.233) 0.284 1.693 ( -0.963 0.311 2.504) 2.700 1.750 ( -3.092 0.214 0.446) 3.131 1.815 ( -0.531 -0.731 3.631) 3.741 1.874 ( -1.325 -6.227 2.372) 6.794 1.896 ( -0.364 -1.022 2.470) 2.698 1.950 ( -4.005 1.205 4.239) 5.955 2.007 ( -1.104 3.825 1.909) 4.415 2.079 ( -1.490 -5.932 0.930) 6.186 2.127 ( -0.079 1.372 1.769) 2.240 2.269 ( -1.688 0.770 2.961) 3.495 2.346 ( -4.515 -2.241 10.094) 11.282 2.421 ( -2.483 0.143 16.374) 16.561 2.475 ( -2.544 2.395 6.848) 7.688 2.598 ( -1.031 0.222 13.668) 13.709 2.654 ( -2.592 1.806 5.034) 5.943 2.685 ( -2.598 1.451 10.670) 11.077 2.810 ( 1.042 -1.239 18.682) 18.752 2.838 ( 1.237 1.591 10.582) 10.772 2.978 ( -0.054 4.696 7.386) 8.753 3.015 ( 3.066 -1.904 1.092) 3.771 3.088 ( -0.280 -2.420 6.304) 6.758 3.140 ( -1.016 -0.199 6.507) 6.589 3.203 ( -1.693 0.155 4.913) 5.199 3.283 ( -1.955 2.870 3.523) 4.947 3.404 ( -4.038 -2.421 2.455) 5.310 3.458 ( 0.445 2.452 4.188) 4.874 3.511 ( -1.592 0.268 4.351) 4.641 3.672 ( -1.298 0.657 0.652) 1.594 3.779 ( -1.776 -2.582 -7.259) 7.906 3.844 ( 3.672 1.863 -0.928) 4.221 3.954 ( 0.185 -3.468 -0.472) 3.505 4.011 ( 4.374 1.503 -5.511) 7.195 4.088 ( 3.475 -2.107 -4.829) 6.311 4.220 ( -3.612 1.879 -4.287) 5.912 4.275 ( 0.089 0.317 -1.346) 1.386 4.433 ( 1.109 -1.489 -4.868) 5.211 4.461 ( 9.127 -3.472 -7.965) 12.602 4.629 ( 3.121 1.164 -0.088) 3.333 4.683 ( 4.074 -0.337 -4.306) 5.937 4.736 ( 0.592 4.182 -8.478) 9.472 4.786 ( 1.897 1.964 -2.162) 3.483 4.951 ( 3.286 1.480 -4.976) 6.144 5.017 ( 1.943 -5.045 -6.218) 8.239 5.106 ( 0.026 -3.425 1.037) 3.578 5.178 ( 7.201 -1.334 -0.761) 7.363 5.320 ( -4.713 4.482 5.887) 8.773 5.396 ( -8.230 -0.639 6.315) 10.393 5.573 ( -0.587 3.707 2.029) 4.267 5.710 ( -2.822 2.259 1.015) 3.755 5.807 ( 2.762 -3.945 3.797) 6.132 6.049 ( 1.399 -9.149 0.457) 9.267 6.661 ( -1.240 3.412 -1.141) 3.805 6.791 ( -1.441 3.741 -0.445) 4.033 7.465 ( -2.888 3.131 7.330) 8.477 7.624 ( -2.036 -2.356 1.528) 3.469 7.731 ( 1.802 1.551 -1.076) 2.610 7.834 ( -0.087 5.821 -1.287) 5.962 7.910 ( -0.225 -7.849 1.713) 8.037 8.161 ( 0.256 -3.823 -1.369) 4.069 9.098 ( 0.417 9.658 2.550) 9.997 9.416 ( 0.660 8.395 -4.108) 9.370 9.733 ( 1.112 -10.102 -0.602) 10.181 9.901 ( 0.964 -4.572 -5.591) 7.286 10.432 ( 2.655 0.822 -21.329) 21.510 10.456 ( 1.001 1.036 -11.253) 11.345 10.551 ( -0.412 1.298 -1.505) 2.030 10.658 ( 3.572 -0.425 -17.026) 17.401 10.764 ( 3.132 -0.190 -14.782) 15.112 10.854 ( 3.199 0.084 -22.300) 22.529 10.925 ( 1.396 1.104 -12.135) 12.265 10.994 ( 1.654 -0.885 -8.596) 8.798 11.203 ( -0.523 5.664 -4.523) 7.267 11.542 ( 1.041 -7.040 2.655) 7.596 11.797 ( -1.688 7.177 -0.855) 7.423 12.210 ( 0.852 -8.261 -2.883) 8.791 12.566 ( -1.347 2.995 8.267) 8.896 12.785 ( -1.552 -3.562 4.063) 5.622 13.152 ( 0.394 0.172 -1.191) 1.267 13.171 ( 4.484 0.079 -2.958) 5.373 13.275 ( -2.125 0.681 1.236) 2.551 13.285 ( -1.918 2.004 4.112) 4.960 13.625 ( -0.836 0.006 1.248) 1.502 13.640 ( -1.063 -0.133 0.950) 1.432 14.719 ( 0.005 1.992 -3.102) 3.687 14.809 ( 1.083 -1.596 -3.930) 4.378 14.859 ( 1.517 1.449 -3.289) 3.901 14.912 ( -1.380 0.491 -2.073) 2.538 15.045 ( 0.400 -1.461 0.545) 1.609 15.099 ( -0.850 -1.760 0.605) 2.046 15.331 ( 0.380 2.926 -1.835) 3.475 15.415 ( 0.836 -0.352 -3.193) 3.320 15.491 ( 0.546 1.159 0.251) 1.305 15.530 ( -0.041 0.637 -1.117) 1.287 15.628 ( -0.044 2.247 2.883) 3.656 15.741 ( -0.790 0.203 -0.362) 0.892 15.797 ( -0.285 -0.285 -1.295) 1.357 15.900 ( 1.481 3.619 -2.594) 4.692 16.027 ( -1.147 -9.432 -0.408) 9.510 16.179 ( 0.680 -7.702 -4.108) 8.755 17.346 ( 1.686 3.243 8.243) 9.017 17.422 ( -1.550 3.963 5.121) 6.659 17.532 ( -1.929 -2.577 4.219) 5.307 17.595 ( 1.245 -4.644 7.923) 9.268 17.694 ( -2.504 2.933 5.140) 6.426 17.819 ( 1.422 4.046 2.692) 5.064 17.964 ( -0.661 -0.341 4.144) 4.211 18.029 ( -0.280 1.606 -0.034) 1.630 26.489 ( 0.092 2.015 1.528) 2.531 26.555 ( 1.956 0.146 -0.168) 1.969 26.640 ( 1.807 0.325 -1.637) 2.460 26.685 ( -0.265 -1.798 -0.760) 1.970 26.758 ( -1.241 -0.114 0.799) 1.480 26.787 ( -1.708 -1.231 -0.293) 2.125 26.863 ( -0.118 2.042 1.487) 2.529 26.966 ( 1.154 -1.885 -0.201) 2.219 27.146 ( -0.666 2.819 1.937) 3.484 27.316 ( -0.641 -4.522 -0.301) 4.577 27.462 ( 0.190 1.546 -1.486) 2.153 27.536 ( 1.468 -1.174 0.232) 1.894 27.629 ( -0.869 3.472 4.529) 5.773 27.777 ( -0.985 -1.820 1.927) 2.828 27.894 ( 0.413 2.361 9.758) 10.048 27.947 ( -1.400 -0.390 7.443) 7.584 28.006 ( 0.295 2.971 -3.006) 4.237 28.158 ( 1.161 0.080 -4.146) 4.307 28.491 ( 4.403 -2.940 4.309) 6.826 28.541 ( 0.838 1.164 7.618) 7.752 28.625 ( -1.056 -6.737 3.566) 7.695 28.683 ( -0.730 -3.672 8.598) 9.377 29.254 ( 1.599 9.093 -9.382) 13.163 29.575 ( -7.435 -4.734 -16.753) 18.930 30.566 ( -1.641 0.773 1.868) 2.603 30.664 ( 0.066 -3.564 -0.148) 3.568 31.071 ( 7.135 8.338 -5.714) 12.373 31.231 ( -4.895 2.527 -3.102) 6.322 31.530 ( 1.861 -1.131 1.330) 2.552 31.681 ( 3.562 -2.109 -2.476) 4.823 31.839 ( -0.063 5.371 5.494) 7.683 32.106 ( -4.951 -4.739 -0.612) 6.881 ======================= Grid point 58 (33/63) ======================= q-point: (-0.40 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -6.700 3.059 -1.273) 7.475 0.656 ( -4.416 3.896 5.705) 8.199 0.827 ( 1.180 -4.886 1.348) 5.204 0.936 ( -2.080 0.580 1.382) 2.564 0.995 ( -0.718 -1.937 6.892) 7.195 1.077 ( 2.092 2.007 1.720) 3.371 1.122 ( 0.062 -2.080 1.701) 2.688 1.190 ( -1.888 -0.372 3.761) 4.225 1.280 ( 1.362 -5.144 1.396) 5.501 1.317 ( -1.087 -1.602 -1.277) 2.319 1.349 ( 2.477 0.429 0.921) 2.677 1.397 ( 1.306 -0.492 4.901) 5.096 1.464 ( 0.908 -0.185 -0.221) 0.952 1.498 ( 0.508 0.873 -2.692) 2.875 1.552 ( 2.401 -3.733 5.158) 6.805 1.600 ( -3.780 0.600 1.502) 4.111 1.643 ( 2.260 -0.331 -2.860) 3.661 1.659 ( 0.513 0.905 -2.245) 2.474 1.726 ( -1.284 1.658 4.896) 5.327 1.796 ( -2.558 0.256 5.038) 5.656 1.862 ( -1.491 -6.522 0.579) 6.715 1.875 ( -2.619 1.328 4.355) 5.253 1.931 ( 1.438 -3.199 0.779) 3.593 1.989 ( -1.899 -6.209 -1.038) 6.576 2.027 ( -0.851 0.909 1.353) 1.839 2.134 ( 0.457 -2.007 -0.331) 2.084 2.229 ( -3.681 0.292 2.999) 4.757 2.298 ( -3.691 -0.161 13.139) 13.648 2.379 ( -3.927 0.171 16.895) 17.346 2.478 ( -2.231 -2.081 6.880) 7.526 2.602 ( -0.882 5.387 3.050) 6.253 2.635 ( -1.814 1.974 11.907) 12.205 2.689 ( -2.612 1.718 18.085) 18.353 2.845 ( -4.333 1.300 21.862) 22.325 2.880 ( 0.027 2.261 6.020) 6.430 3.008 ( -1.107 2.430 10.448) 10.784 3.073 ( -0.269 -6.126 3.884) 7.258 3.106 ( 0.083 -0.560 5.159) 5.190 3.143 ( -1.490 -1.232 11.591) 11.751 3.174 ( 0.571 4.049 -3.613) 5.457 3.249 ( -3.107 0.663 3.586) 4.791 3.328 ( -3.322 0.476 4.889) 5.930 3.421 ( -2.178 -0.242 1.750) 2.804 3.530 ( -0.674 -2.788 5.406) 6.120 3.663 ( -0.231 -2.497 -2.379) 3.457 3.753 ( 0.880 -2.336 -7.052) 7.481 3.862 ( -2.813 5.639 1.916) 6.586 3.952 ( 0.899 1.052 -1.339) 1.925 4.016 ( -1.680 1.952 -4.255) 4.974 4.156 ( 4.055 -0.878 -9.016) 9.925 4.172 ( 0.760 3.142 -3.988) 5.133 4.267 ( -0.486 -1.335 -1.500) 2.066 4.363 ( -3.145 4.338 -2.954) 6.118 4.507 ( -3.998 -5.031 -1.087) 6.517 4.626 ( -2.677 -2.374 -3.589) 5.068 4.701 ( 3.198 -3.171 -9.205) 10.248 4.814 ( 3.147 1.946 -4.754) 6.024 4.833 ( 5.117 4.264 -5.573) 8.684 4.979 ( 0.103 -2.422 -7.919) 8.282 5.012 ( 0.076 -2.806 -4.676) 5.454 5.144 ( 2.972 1.581 -0.265) 3.377 5.204 ( -6.809 2.406 6.124) 9.469 5.279 ( 0.368 0.494 2.981) 3.044 5.355 ( 0.815 -2.748 8.351) 8.829 5.505 ( -2.608 4.622 2.431) 5.838 5.739 ( 2.357 -0.942 0.738) 2.643 5.853 ( 1.919 -4.433 0.552) 4.861 6.056 ( -1.165 -6.771 -0.278) 6.876 6.701 ( 4.180 0.283 0.657) 4.241 6.766 ( 0.076 -0.956 -2.585) 2.757 7.380 ( -5.311 4.846 6.998) 10.033 7.661 ( 2.813 -0.921 2.499) 3.874 7.762 ( 1.222 -1.516 0.645) 2.051 7.832 ( 0.536 7.893 -2.260) 8.228 7.931 ( 1.288 -6.494 2.637) 7.127 8.160 ( 0.150 -4.205 -1.942) 4.634 9.106 ( -0.565 10.834 2.276) 11.085 9.411 ( 0.393 7.580 -4.446) 8.796 9.757 ( 1.121 -8.551 -0.571) 8.643 9.905 ( 1.016 -4.708 -4.270) 6.436 10.423 ( 4.078 1.064 -21.955) 22.356 10.449 ( 1.652 1.458 -7.048) 7.384 10.526 ( -0.583 1.343 -7.072) 7.222 10.663 ( 2.964 -1.093 -18.895) 19.157 10.791 ( 5.061 0.030 -20.071) 20.699 10.861 ( 3.861 0.441 -15.494) 15.974 10.931 ( 3.148 0.716 -12.062) 12.487 11.006 ( 2.395 -0.486 -8.744) 9.079 11.176 ( -0.855 5.926 -2.109) 6.348 11.550 ( -0.945 -7.756 1.026) 7.881 11.784 ( 0.711 6.864 -0.628) 6.929 12.214 ( 0.498 -9.102 -2.354) 9.414 12.566 ( -1.286 4.209 7.675) 8.847 12.785 ( -0.089 -3.325 4.465) 5.568 13.148 ( -0.212 -0.382 -1.612) 1.670 13.186 ( -2.656 -0.847 -1.970) 3.413 13.275 ( 2.594 2.441 1.816) 3.998 13.310 ( 2.182 2.323 3.117) 4.458 13.602 ( -1.546 0.045 0.899) 1.789 13.624 ( -0.655 -0.690 1.223) 1.550 14.712 ( 0.505 2.603 -3.208) 4.162 14.818 ( 1.194 -1.760 -3.908) 4.449 14.865 ( -0.326 1.404 -2.922) 3.258 14.872 ( -1.007 0.721 -2.604) 2.884 15.075 ( 2.157 -1.687 0.405) 2.768 15.112 ( 1.850 -1.640 0.030) 2.472 15.328 ( 0.007 3.090 -1.793) 3.573 15.407 ( -0.512 -0.059 -2.966) 3.010 15.491 ( -0.456 1.363 0.416) 1.496 15.541 ( 1.220 0.807 -0.548) 1.562 15.626 ( -0.834 1.772 2.079) 2.856 15.744 ( 0.963 0.092 -0.027) 0.968 15.784 ( -0.195 0.058 -2.151) 2.160 15.910 ( 0.143 2.322 -1.793) 2.937 15.996 ( -1.576 -8.860 -0.465) 9.011 16.172 ( 0.101 -7.418 -3.988) 8.423 17.400 ( 0.482 1.247 7.560) 7.677 17.411 ( -1.474 1.444 4.612) 5.052 17.515 ( -0.797 -1.895 5.507) 5.878 17.619 ( -1.622 -5.984 5.017) 7.975 17.693 ( 0.606 6.712 7.407) 10.014 17.834 ( -0.886 5.137 1.764) 5.503 17.951 ( -2.181 -1.318 4.317) 5.013 18.001 ( -1.959 0.951 -0.026) 2.178 26.488 ( -0.672 2.138 1.479) 2.685 26.597 ( 1.298 -1.785 0.640) 2.298 26.659 ( 0.022 0.881 -1.242) 1.523 26.688 ( 1.155 -0.339 -2.210) 2.517 26.732 ( -1.228 -0.016 0.668) 1.399 26.779 ( 1.187 -1.496 -0.167) 1.917 26.857 ( -0.599 2.311 0.521) 2.443 26.980 ( 0.233 -2.879 0.825) 3.003 27.164 ( 1.431 3.136 1.637) 3.816 27.312 ( 0.502 -3.505 -0.903) 3.654 27.458 ( -0.437 2.114 0.408) 2.197 27.576 ( 1.399 -0.381 1.572) 2.139 27.608 ( -2.027 1.800 3.684) 4.574 27.764 ( -0.715 -2.067 2.267) 3.150 27.943 ( -1.059 0.789 8.036) 8.144 27.956 ( 1.681 1.438 8.903) 9.173 28.006 ( 1.132 3.132 -3.052) 4.517 28.128 ( -2.640 -1.577 -5.767) 6.536 28.534 ( -3.541 -0.669 8.951) 9.649 28.582 ( 1.679 -1.415 4.631) 5.125 28.640 ( 0.653 -2.626 4.673) 5.400 28.695 ( -0.882 -5.811 3.650) 6.918 29.226 ( -2.191 3.308 -8.909) 9.752 29.348 ( -5.878 -1.190 -11.962) 13.381 30.561 ( 0.833 2.295 0.511) 2.495 30.683 ( 1.703 -3.113 -0.010) 3.548 31.068 ( -5.471 10.109 -1.904) 11.651 31.242 ( 6.738 1.426 -8.077) 10.615 31.507 ( -3.118 0.663 0.751) 3.275 31.783 ( 4.849 -6.110 -1.221) 7.895 31.921 ( 4.989 3.296 2.828) 6.614 32.053 ( 1.498 -1.382 0.219) 2.050 ======================= Grid point 59 (34/63) ======================= q-point: (-0.20 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.715 9.996 3.213) 10.524 0.578 ( -4.071 8.033 10.066) 13.507 0.884 ( 2.793 -7.318 1.312) 7.942 0.924 ( 0.963 -3.087 2.011) 3.808 1.008 ( -0.666 -2.610 4.865) 5.561 1.089 ( -0.726 -0.094 1.815) 1.957 1.134 ( -2.827 -3.261 3.920) 5.830 1.175 ( 1.568 -0.255 2.402) 2.880 1.266 ( -2.854 -2.436 3.113) 4.876 1.294 ( -1.115 -4.778 -0.783) 4.969 1.399 ( 1.620 1.900 -1.404) 2.865 1.411 ( 1.018 -0.895 1.310) 1.884 1.475 ( -2.052 -1.557 4.295) 5.009 1.487 ( -3.651 2.295 4.039) 5.909 1.514 ( -0.991 -3.171 4.791) 5.830 1.612 ( -0.439 0.676 -1.984) 2.142 1.651 ( -1.332 -0.798 -0.446) 1.616 1.706 ( 3.477 -1.344 1.718) 4.105 1.751 ( -2.387 -1.829 2.844) 4.139 1.759 ( 3.252 -0.106 -1.765) 3.701 1.848 ( 0.775 -0.612 2.679) 2.855 1.869 ( 1.035 -2.859 2.197) 3.751 1.958 ( 1.844 -4.765 3.164) 6.010 2.016 ( 3.246 -3.091 1.931) 4.881 2.033 ( 0.574 1.825 0.222) 1.926 2.145 ( -0.899 -3.916 -1.106) 4.167 2.156 ( -2.212 3.356 6.524) 7.662 2.310 ( 0.911 2.073 11.685) 11.903 2.398 ( -1.067 0.246 16.523) 16.560 2.432 ( -1.959 0.948 0.998) 2.394 2.601 ( -4.188 1.255 11.892) 12.670 2.622 ( -1.309 6.003 7.950) 10.047 2.694 ( -2.737 1.774 15.166) 15.513 2.796 ( -6.487 1.542 16.705) 17.986 2.893 ( -0.740 4.666 8.946) 10.116 2.992 ( -2.746 5.253 7.184) 9.314 3.020 ( -4.745 -3.440 4.917) 7.650 3.110 ( -2.167 -0.438 9.091) 9.356 3.154 ( -1.602 -1.675 8.778) 9.078 3.176 ( -0.923 -1.920 1.668) 2.706 3.219 ( -0.127 -0.784 0.239) 0.829 3.330 ( 1.287 2.841 6.191) 6.932 3.415 ( 1.873 1.861 -3.566) 4.437 3.508 ( -3.002 -5.563 6.121) 8.799 3.624 ( -1.803 -3.973 -2.353) 4.957 3.722 ( -3.934 3.503 1.318) 5.430 3.829 ( 2.312 -2.007 -4.659) 5.575 3.923 ( -3.013 4.117 -1.578) 5.340 3.977 ( -1.351 0.957 -5.497) 5.741 4.150 ( -3.562 3.662 -1.496) 5.323 4.181 ( 1.787 2.383 -6.219) 6.895 4.235 ( -1.041 -5.468 -0.561) 5.594 4.352 ( 2.017 2.191 -3.868) 4.882 4.435 ( 0.516 -3.423 -1.855) 3.927 4.537 ( -4.868 -3.349 -4.624) 7.502 4.705 ( -0.304 -0.806 -5.416) 5.484 4.806 ( -1.015 1.231 -3.973) 4.281 4.870 ( -5.181 -2.661 -4.662) 7.460 4.919 ( 1.557 1.646 -2.715) 3.536 5.014 ( 1.021 1.085 -4.393) 4.639 5.097 ( -4.959 0.596 1.230) 5.144 5.190 ( 1.662 5.811 -3.651) 7.061 5.287 ( 0.957 -2.852 5.528) 6.294 5.391 ( -0.102 -5.124 6.010) 7.899 5.557 ( 4.284 1.645 3.055) 5.513 5.746 ( -0.340 -8.040 1.576) 8.200 5.902 ( 1.038 -1.520 0.710) 1.973 5.998 ( -3.662 -5.909 -1.364) 7.085 6.754 ( 1.542 2.321 -1.014) 2.966 6.818 ( 3.772 0.433 0.965) 3.918 7.335 ( -1.414 8.369 6.621) 10.764 7.707 ( 0.799 -1.716 0.804) 2.056 7.790 ( 1.002 0.509 1.429) 1.818 7.837 ( 0.534 6.963 -2.101) 7.293 7.970 ( 1.240 -6.418 2.785) 7.105 8.156 ( 0.193 -3.961 -1.892) 4.394 9.091 ( -1.393 11.250 2.187) 11.545 9.406 ( 0.703 6.889 -4.620) 8.324 9.766 ( -0.118 -8.784 -0.707) 8.813 9.909 ( 0.847 -5.255 -4.589) 7.028 10.442 ( 3.520 1.234 -14.223) 14.704 10.480 ( 3.470 -0.111 -7.923) 8.650 10.488 ( 1.216 2.528 -14.036) 14.314 10.648 ( 2.158 -1.611 -19.512) 19.697 10.821 ( 4.759 -0.120 -22.175) 22.680 10.889 ( 3.484 -1.164 -14.949) 15.394 10.961 ( 3.590 0.678 -12.414) 12.940 11.020 ( 1.879 -0.386 -10.861) 11.029 11.165 ( 0.237 6.328 1.925) 6.618 11.519 ( -1.994 -8.782 0.312) 9.011 11.817 ( 2.368 7.776 -0.203) 8.131 12.216 ( 0.248 -6.507 -1.807) 6.758 12.565 ( -1.318 7.012 6.574) 9.702 12.803 ( 0.290 -2.840 4.254) 5.123 13.105 ( -2.541 -0.373 -0.894) 2.720 13.163 ( 0.303 -2.151 -2.159) 3.063 13.318 ( 1.119 1.240 3.208) 3.617 13.363 ( 0.657 0.428 4.335) 4.405 13.590 ( 0.557 0.833 0.011) 1.002 13.623 ( 0.277 -0.299 0.042) 0.410 14.719 ( 1.251 2.755 -3.131) 4.354 14.816 ( -0.954 -0.471 -3.158) 3.333 14.841 ( 0.454 0.229 -2.843) 2.888 14.864 ( 0.945 -0.822 -4.015) 4.206 15.123 ( 1.900 -1.249 -0.125) 2.277 15.155 ( 1.878 -1.583 -0.599) 2.529 15.319 ( -0.267 3.362 -1.459) 3.674 15.384 ( -0.536 0.207 -2.304) 2.375 15.484 ( -0.363 0.513 0.751) 0.979 15.556 ( -0.075 -0.414 0.041) 0.422 15.626 ( 0.613 3.020 0.217) 3.089 15.764 ( 0.688 0.519 0.282) 0.907 15.779 ( 0.502 0.439 -2.536) 2.622 15.896 ( -0.816 2.068 -1.681) 2.787 15.974 ( 0.075 -8.001 0.167) 8.003 16.161 ( 0.329 -7.661 -4.160) 8.723 17.371 ( -4.317 0.035 5.257) 6.802 17.417 ( -0.942 -0.353 7.602) 7.668 17.549 ( 1.292 -0.986 8.143) 8.304 17.591 ( -2.359 -3.021 5.294) 6.536 17.725 ( -1.011 4.716 4.824) 6.822 17.806 ( -1.373 5.193 1.964) 5.720 17.906 ( -2.677 -1.497 3.533) 4.678 17.976 ( -0.654 -0.082 1.701) 1.824 26.478 ( -0.688 2.095 1.374) 2.598 26.601 ( -0.976 -2.465 1.288) 2.948 26.639 ( -1.252 0.664 -0.527) 1.512 26.674 ( -1.298 -0.476 -1.468) 2.017 26.753 ( 2.476 1.613 -1.391) 3.266 26.814 ( 1.597 -0.881 0.235) 1.839 26.856 ( 0.287 1.542 0.628) 1.690 26.977 ( -0.924 -3.257 0.730) 3.463 27.198 ( 1.199 3.296 0.399) 3.530 27.334 ( 2.117 -2.333 -2.882) 4.270 27.448 ( -0.766 3.060 1.361) 3.435 27.584 ( 0.116 2.669 2.049) 3.367 27.595 ( -1.180 -2.198 2.596) 3.600 27.768 ( -0.120 -4.090 2.215) 4.653 27.933 ( -2.517 0.890 6.043) 6.606 27.979 ( -2.801 -0.403 0.531) 2.879 28.014 ( -1.569 3.484 -2.479) 4.555 28.102 ( 5.082 0.154 2.562) 5.693 28.464 ( -6.054 -1.960 3.942) 7.486 28.548 ( -7.028 -2.465 -0.894) 7.501 28.638 ( -2.166 -2.513 2.069) 3.909 28.674 ( -0.995 -3.705 9.488) 10.235 29.124 ( -0.239 8.883 -7.236) 11.460 29.390 ( 8.922 -5.456 -2.089) 10.664 30.593 ( 1.766 2.642 -0.069) 3.179 30.720 ( 1.270 -2.534 0.652) 2.908 30.962 ( -3.750 11.104 -0.516) 11.732 31.288 ( -0.375 -4.974 -4.826) 6.941 31.498 ( 3.685 5.993 -5.789) 9.111 31.793 ( -2.184 -4.540 -5.449) 7.422 31.989 ( 0.630 4.146 3.765) 5.635 32.191 ( 8.540 -4.298 0.146) 9.561 ======================= Grid point 60 (35/63) ======================= q-point: ( 0.00 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.350 -6.022 5.248) 7.996 0.670 ( -0.350 6.023 5.248) 7.996 0.768 ( 1.040 -5.730 1.821) 6.102 0.768 ( 1.040 5.730 1.821) 6.102 1.031 ( -2.133 -1.203 3.516) 4.285 1.031 ( -2.133 1.203 3.516) 4.285 1.090 ( 0.200 -4.356 4.528) 6.286 1.090 ( 0.200 4.356 4.528) 6.286 1.218 ( -0.150 -4.347 2.120) 4.839 1.218 ( -0.150 4.347 2.120) 4.839 1.374 ( 0.129 -2.025 0.664) 2.135 1.374 ( 0.129 2.025 0.664) 2.135 1.448 ( -1.240 -2.089 1.448) 2.828 1.448 ( -1.240 2.089 1.448) 2.828 1.596 ( 0.223 -1.874 -3.271) 3.776 1.596 ( 0.223 1.874 -3.271) 3.776 1.685 ( -1.043 -1.539 2.439) 3.067 1.685 ( -1.043 1.539 2.439) 3.067 1.736 ( -1.236 -6.777 2.298) 7.262 1.736 ( -1.236 6.777 2.298) 7.262 1.871 ( 1.621 -2.199 3.111) 4.141 1.871 ( 1.621 2.199 3.111) 4.141 1.960 ( 0.214 -4.081 5.483) 6.838 1.960 ( 0.214 4.081 5.483) 6.838 2.112 ( 1.097 -1.412 2.845) 3.360 2.112 ( 1.097 1.412 2.845) 3.360 2.341 ( 4.489 -4.433 2.444) 6.765 2.341 ( 4.489 4.433 2.444) 6.765 2.489 ( -2.325 -2.061 21.416) 21.640 2.489 ( -2.325 2.061 21.416) 21.640 2.589 ( -3.341 -2.704 9.937) 10.827 2.589 ( -3.341 2.704 9.937) 10.827 2.782 ( -3.822 -6.675 7.993) 11.093 2.782 ( -3.822 6.675 7.993) 11.093 2.897 ( -2.164 -11.363 2.344) 11.802 2.897 ( -2.164 11.363 2.344) 11.802 3.080 ( -0.212 -2.620 11.358) 11.658 3.080 ( -0.212 2.620 11.358) 11.658 3.120 ( -1.665 -6.163 0.353) 6.394 3.120 ( -1.665 6.163 0.353) 6.394 3.350 ( 2.789 -9.191 7.498) 12.185 3.350 ( 2.789 9.191 7.498) 12.185 3.412 ( 0.556 -3.329 -2.784) 4.375 3.412 ( 0.556 3.329 -2.784) 4.375 3.682 ( 2.366 -7.351 -1.264) 7.825 3.682 ( 2.366 7.351 -1.264) 7.825 3.878 ( -2.940 -5.074 -1.242) 5.994 3.878 ( -2.940 5.074 -1.242) 5.994 4.003 ( 2.027 -7.015 -5.475) 9.127 4.003 ( 2.027 7.015 -5.475) 9.127 4.194 ( -2.393 -6.477 -1.654) 7.101 4.194 ( -2.393 6.477 -1.654) 7.101 4.318 ( -0.069 -4.736 -2.932) 5.570 4.318 ( -0.069 4.736 -2.932) 5.570 4.593 ( 1.252 -4.826 -3.102) 5.872 4.593 ( 1.252 4.826 -3.102) 5.872 4.807 ( 0.326 -0.835 -3.756) 3.861 4.807 ( 0.326 0.835 -3.756) 3.861 4.964 ( -1.447 -2.897 -1.818) 3.714 4.964 ( -1.447 2.897 -1.818) 3.714 5.083 ( -4.402 -5.927 3.519) 8.179 5.083 ( -4.402 5.927 3.519) 8.179 5.365 ( 4.507 -5.536 -1.542) 7.303 5.365 ( 4.507 5.536 -1.542) 7.303 5.690 ( 2.484 -5.295 0.368) 5.860 5.690 ( 2.484 5.295 0.368) 5.860 5.821 ( -4.049 -2.859 4.362) 6.603 5.821 ( -4.049 2.859 4.362) 6.603 6.898 ( 2.115 -1.945 1.714) 3.346 6.898 ( 2.115 1.945 1.714) 3.346 7.578 ( 0.459 -10.602 2.994) 11.026 7.578 ( 0.459 10.602 2.994) 11.026 7.838 ( -2.704 -3.787 1.888) 5.021 7.838 ( -2.704 3.787 1.888) 5.021 8.017 ( 0.529 -8.289 -2.556) 8.691 8.017 ( 0.529 8.289 -2.556) 8.691 9.363 ( -0.916 -13.547 -1.257) 13.636 9.363 ( -0.916 13.547 -1.257) 13.636 9.720 ( 0.252 -9.558 -3.603) 10.217 9.720 ( 0.252 9.558 -3.603) 10.217 10.477 ( 2.472 -0.809 -14.544) 14.775 10.477 ( 2.472 0.809 -14.544) 14.775 10.575 ( 2.347 -2.589 -10.067) 10.657 10.575 ( 2.347 2.589 -10.067) 10.657 10.848 ( 3.487 -2.314 -23.366) 23.738 10.848 ( 3.487 2.314 -23.366) 23.738 10.990 ( 0.780 -1.237 -10.777) 10.876 10.990 ( 0.780 1.237 -10.777) 10.876 11.324 ( 0.533 -6.379 1.989) 6.703 11.324 ( 0.533 6.379 1.989) 6.703 12.059 ( 0.423 -9.164 0.333) 9.179 12.059 ( 0.423 9.164 0.333) 9.179 12.725 ( -0.876 -6.435 3.863) 7.557 12.725 ( -0.876 6.435 3.863) 7.557 13.085 ( -0.187 -2.555 -0.608) 2.633 13.085 ( -0.187 2.555 -0.608) 2.633 13.348 ( -1.578 -0.786 3.859) 4.242 13.348 ( -1.578 0.786 3.859) 4.242 13.634 ( 1.194 -0.384 -0.643) 1.410 13.634 ( 1.194 0.384 -0.643) 1.410 14.779 ( 0.249 -1.266 -3.694) 3.913 14.779 ( 0.249 1.266 -3.694) 3.913 14.847 ( 1.175 -0.984 -3.109) 3.466 14.847 ( 1.175 0.984 -3.109) 3.466 15.131 ( -0.931 -1.125 0.122) 1.466 15.131 ( -0.931 1.125 0.122) 1.466 15.369 ( 0.606 -1.424 -2.393) 2.850 15.369 ( 0.606 1.424 -2.393) 2.850 15.504 ( -0.573 -1.758 -0.298) 1.873 15.504 ( -0.573 1.758 -0.298) 1.873 15.748 ( 0.539 -4.597 -0.924) 4.720 15.748 ( 0.539 4.597 -0.924) 4.720 15.828 ( 1.034 -5.356 0.492) 5.477 15.828 ( 1.034 5.356 0.492) 5.477 15.991 ( 0.774 -6.844 -4.200) 8.067 15.991 ( 0.774 6.844 -4.200) 8.067 17.366 ( -1.641 -3.525 8.313) 9.178 17.366 ( -1.641 3.525 8.313) 9.178 17.571 ( -1.022 -1.112 7.475) 7.626 17.571 ( -1.022 1.112 7.475) 7.626 17.770 ( -2.339 -3.374 3.675) 5.510 17.770 ( -2.339 3.374 3.675) 5.510 17.955 ( 1.418 -3.024 2.283) 4.046 17.955 ( 1.418 3.024 2.283) 4.046 26.531 ( -0.507 -2.711 1.526) 3.152 26.531 ( -0.507 2.711 1.526) 3.152 26.633 ( -0.430 -1.244 -1.291) 1.843 26.633 ( -0.430 1.244 -1.291) 1.843 26.813 ( 0.363 -1.435 -0.347) 1.521 26.813 ( 0.363 1.435 -0.347) 1.521 26.896 ( -0.507 -2.261 0.248) 2.330 26.896 ( -0.507 2.261 0.248) 2.330 27.286 ( -0.413 -3.710 -2.201) 4.334 27.286 ( -0.413 3.710 -2.201) 4.334 27.516 ( -0.380 -3.128 0.888) 3.274 27.516 ( -0.380 3.128 0.888) 3.274 27.666 ( 0.359 -3.422 1.467) 3.740 27.666 ( 0.359 3.422 1.467) 3.740 27.920 ( -1.862 -1.002 3.812) 4.359 27.920 ( -1.862 1.002 3.812) 4.359 28.113 ( -0.207 -5.162 1.696) 5.438 28.113 ( -0.207 5.162 1.696) 5.438 28.376 ( -1.045 -6.269 -1.672) 6.572 28.376 ( -1.045 6.269 -1.672) 6.572 28.625 ( -2.220 -1.978 10.987) 11.382 28.625 ( -2.220 1.978 10.987) 11.382 29.393 ( 7.449 -9.546 -6.286) 13.643 29.393 ( 7.449 9.546 -6.286) 13.643 30.665 ( -0.937 -2.802 0.769) 3.053 30.665 ( -0.937 2.802 0.769) 3.053 31.116 ( -0.104 -7.240 -3.006) 7.840 31.116 ( -0.104 7.240 -3.006) 7.840 31.664 ( 0.170 -2.742 -7.283) 7.784 31.664 ( 0.170 2.742 -7.283) 7.784 32.110 ( -1.911 -8.024 2.180) 8.532 32.110 ( -1.911 8.024 2.180) 8.532 ======================= Grid point 62 (36/63) ======================= q-point: ( 0.20 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -3.193 -7.108 0.541) 7.811 0.632 ( -3.193 7.108 0.541) 7.811 0.828 ( 2.373 -5.319 5.491) 8.005 0.828 ( 2.373 5.319 5.491) 8.005 1.013 ( -0.820 -2.075 2.598) 3.425 1.013 ( -0.820 2.075 2.598) 3.425 1.126 ( 1.859 -4.444 4.498) 6.591 1.126 ( 1.859 4.444 4.498) 6.591 1.233 ( 0.114 -1.621 4.403) 4.694 1.233 ( 0.114 1.621 4.403) 4.694 1.375 ( -0.778 -2.079 -0.487) 2.273 1.375 ( -0.778 2.079 -0.487) 2.273 1.426 ( -1.205 -4.839 0.810) 5.052 1.426 ( -1.205 4.839 0.810) 5.052 1.599 ( 0.319 -2.015 -5.113) 5.505 1.599 ( 0.319 2.015 -5.113) 5.505 1.662 ( -0.216 -3.826 2.617) 4.640 1.662 ( -0.216 3.826 2.617) 4.640 1.740 ( 0.502 -5.104 1.707) 5.405 1.740 ( 0.502 5.104 1.707) 5.405 1.870 ( -1.952 -2.595 5.144) 6.083 1.870 ( -1.952 2.595 5.144) 6.083 1.991 ( 0.109 -1.639 3.928) 4.258 1.991 ( 0.109 1.639 3.928) 4.258 2.129 ( -0.760 -2.354 3.847) 4.573 2.129 ( -0.760 2.354 3.847) 4.573 2.372 ( -4.260 -2.574 5.900) 7.719 2.372 ( -4.260 2.574 5.900) 7.719 2.469 ( -1.929 -4.634 13.397) 14.307 2.469 ( -1.929 4.634 13.397) 14.307 2.656 ( 2.073 -1.043 15.111) 15.288 2.656 ( 2.073 1.043 15.111) 15.288 2.728 ( -3.216 -7.029 6.230) 9.928 2.728 ( -3.216 7.029 6.230) 9.928 2.858 ( -1.957 -7.766 5.746) 9.857 2.858 ( -1.957 7.766 5.746) 9.857 3.050 ( -1.874 -1.811 3.770) 4.583 3.050 ( -1.874 1.811 3.770) 4.583 3.158 ( 0.754 -6.334 7.703) 10.001 3.158 ( 0.754 6.334 7.703) 10.001 3.389 ( -1.319 -5.541 2.596) 6.260 3.389 ( -1.319 5.541 2.596) 6.260 3.468 ( 4.060 -3.196 0.613) 5.203 3.468 ( 4.060 3.196 0.613) 5.203 3.734 ( 1.277 -3.476 0.616) 3.754 3.734 ( 1.277 3.476 0.616) 3.754 3.834 ( 1.100 -1.768 -3.764) 4.302 3.834 ( 1.100 1.768 -3.764) 4.302 3.998 ( -0.018 -3.614 -3.691) 5.166 3.998 ( -0.018 3.614 -3.691) 5.166 4.254 ( 6.036 -3.433 -4.009) 8.018 4.254 ( 6.036 3.433 -4.009) 8.018 4.317 ( 2.797 -2.262 -4.875) 6.059 4.317 ( 2.797 2.262 -4.875) 6.059 4.609 ( 1.205 -2.276 -0.317) 2.595 4.609 ( 1.205 2.276 -0.317) 2.595 4.824 ( 2.329 -1.042 -6.183) 6.689 4.824 ( 2.329 1.042 -6.183) 6.689 4.928 ( -1.078 -1.656 0.526) 2.045 4.928 ( -1.078 1.656 0.526) 2.045 5.052 ( 0.675 -2.447 -0.606) 2.610 5.052 ( 0.675 2.447 -0.606) 2.610 5.461 ( 3.363 -6.783 -0.448) 7.584 5.461 ( 3.363 6.783 -0.448) 7.584 5.623 ( -5.354 -3.496 3.648) 7.362 5.623 ( -5.354 3.496 3.648) 7.362 5.840 ( 1.881 -5.335 3.279) 6.539 5.840 ( 1.881 5.335 3.279) 6.539 6.885 ( -3.636 -2.011 -0.455) 4.180 6.885 ( -3.636 2.011 -0.455) 4.180 7.584 ( -1.271 -8.505 3.212) 9.180 7.584 ( -1.271 8.505 3.212) 9.180 7.776 ( -2.909 -3.559 2.530) 5.247 7.776 ( -2.909 3.559 2.530) 5.247 8.018 ( 0.435 -8.712 -2.451) 9.061 8.018 ( 0.435 8.712 -2.451) 9.061 9.349 ( -0.009 -13.602 -0.486) 13.610 9.349 ( -0.009 13.602 -0.486) 13.610 9.724 ( 1.301 -10.047 -3.844) 10.836 9.724 ( 1.301 10.047 -3.844) 10.836 10.467 ( 1.944 -1.060 -16.058) 16.210 10.467 ( 1.944 1.060 -16.058) 16.210 10.597 ( 2.353 -2.507 -6.723) 7.551 10.597 ( 2.353 2.507 -6.723) 7.551 10.827 ( 2.799 -3.400 -24.353) 24.748 10.827 ( 2.799 3.400 -24.353) 24.748 10.968 ( 0.843 -1.426 -10.221) 10.354 10.968 ( 0.843 1.426 -10.221) 10.354 11.349 ( 1.071 -6.589 1.258) 6.793 11.349 ( 1.071 6.589 1.258) 6.793 12.041 ( -2.087 -9.232 -0.089) 9.465 12.041 ( -2.087 9.232 -0.089) 9.465 12.700 ( -2.496 -6.716 4.403) 8.410 12.700 ( -2.496 6.716 4.403) 8.410 13.113 ( 2.885 -1.974 -1.434) 3.778 13.113 ( 2.885 1.974 -1.434) 3.778 13.319 ( -2.291 -0.801 3.528) 4.282 13.319 ( -2.291 0.801 3.528) 4.282 13.645 ( -0.110 -0.576 0.179) 0.613 13.645 ( -0.110 0.576 0.179) 0.613 14.770 ( 0.209 -1.797 -3.563) 3.996 14.770 ( 0.209 1.797 -3.563) 3.996 14.872 ( 2.060 -2.084 -3.164) 4.312 14.872 ( 2.060 2.084 -3.164) 4.312 15.092 ( -2.593 -1.711 1.010) 3.267 15.092 ( -2.593 1.711 1.010) 3.267 15.378 ( 1.053 -1.761 -2.873) 3.530 15.378 ( 1.053 1.761 -2.873) 3.530 15.503 ( 0.509 -1.500 -0.049) 1.585 15.503 ( 0.509 1.500 -0.049) 1.585 15.745 ( -0.280 -4.325 -1.153) 4.484 15.745 ( -0.280 4.325 -1.153) 4.484 15.837 ( -0.505 -6.632 0.586) 6.677 15.837 ( -0.505 6.632 0.586) 6.677 16.002 ( 1.502 -6.912 -4.091) 8.171 16.002 ( 1.502 6.912 -4.091) 8.171 17.388 ( 0.790 -4.706 8.263) 9.542 17.388 ( 0.790 4.706 8.263) 9.542 17.548 ( -3.137 -2.138 6.041) 7.135 17.548 ( -3.137 2.138 6.041) 7.135 17.770 ( 0.425 -2.767 4.801) 5.557 17.770 ( 0.425 2.767 4.801) 5.557 17.994 ( 1.462 -2.762 1.545) 3.486 17.994 ( 1.462 2.762 1.545) 3.486 26.526 ( -0.120 -1.730 0.980) 1.992 26.526 ( -0.120 1.730 0.980) 1.992 26.637 ( 0.789 -1.884 -0.781) 2.187 26.637 ( 0.789 1.884 -0.781) 2.187 26.798 ( -1.476 -1.244 -0.518) 1.999 26.798 ( -1.476 1.244 -0.518) 1.999 26.899 ( 0.696 -2.143 0.539) 2.317 26.899 ( 0.696 2.143 0.539) 2.317 27.250 ( -1.976 -3.896 -0.681) 4.421 27.250 ( -1.976 3.896 -0.681) 4.421 27.506 ( -0.432 -1.766 -2.048) 2.738 27.506 ( -0.432 1.766 -2.048) 2.738 27.693 ( 1.030 -3.969 4.091) 5.793 27.693 ( 1.030 3.969 4.091) 5.793 27.914 ( -0.685 -1.455 6.631) 6.823 27.914 ( -0.685 1.455 6.631) 6.823 28.104 ( -0.000 -5.018 -2.021) 5.410 28.104 ( -0.000 5.018 -2.021) 5.410 28.410 ( 3.470 -5.601 1.027) 6.669 28.410 ( 3.470 5.601 1.027) 6.669 28.616 ( -2.457 -2.172 11.365) 11.828 28.616 ( -2.457 2.172 11.365) 11.828 29.481 ( 3.265 -10.767 -10.763) 15.570 29.481 ( 3.265 10.767 -10.763) 15.570 30.629 ( -2.406 -2.157 1.077) 3.406 30.629 ( -2.406 2.157 1.077) 3.406 31.144 ( 3.637 -7.389 -2.914) 8.736 31.144 ( 3.637 7.389 -2.914) 8.736 31.625 ( -1.488 -2.778 -5.205) 6.085 31.625 ( -1.488 2.778 -5.205) 6.085 32.042 ( -4.706 -8.747 2.696) 10.292 32.042 ( -4.706 8.747 2.696) 10.292 ======================= Grid point 64 (37/63) ======================= q-point: ( 0.40 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -2.665 -5.805 -2.871) 7.003 0.561 ( -2.665 5.805 -2.871) 7.003 0.884 ( -0.154 -3.633 7.935) 8.728 0.884 ( -0.154 3.633 7.935) 8.728 1.018 ( 1.725 -0.950 -0.875) 2.155 1.018 ( 1.725 0.950 -0.875) 2.155 1.183 ( 0.880 -2.629 6.235) 6.824 1.183 ( 0.880 2.629 6.235) 6.824 1.242 ( -0.783 -9.096 3.676) 9.842 1.242 ( -0.783 9.096 3.676) 9.842 1.337 ( -1.475 -1.134 0.243) 1.876 1.337 ( -1.475 1.134 0.243) 1.876 1.432 ( 2.156 -2.192 -0.890) 3.201 1.432 ( 2.156 2.192 -0.890) 3.201 1.567 ( -0.995 -2.504 -4.385) 5.147 1.567 ( -0.995 2.504 -4.385) 5.147 1.689 ( 0.808 -4.397 1.643) 4.763 1.689 ( 0.808 4.397 1.643) 4.763 1.767 ( 0.931 -3.870 2.803) 4.868 1.767 ( 0.931 3.870 2.803) 4.868 1.838 ( -2.441 -5.534 2.687) 6.618 1.838 ( -2.441 5.534 2.687) 6.618 1.957 ( -4.365 -2.058 2.343) 5.364 1.957 ( -4.365 2.058 2.343) 5.364 2.114 ( -1.668 -3.094 2.196) 4.144 2.114 ( -1.668 3.094 2.196) 4.144 2.300 ( -3.946 -2.358 7.652) 8.927 2.300 ( -3.946 2.358 7.652) 8.927 2.457 ( -4.367 -2.657 15.037) 15.882 2.457 ( -4.367 2.657 15.037) 15.882 2.674 ( -2.173 -2.907 10.591) 11.196 2.674 ( -2.173 2.907 10.591) 11.196 2.767 ( 1.770 -5.493 10.747) 12.199 2.767 ( 1.770 5.493 10.747) 12.199 2.867 ( 0.003 -4.869 9.358) 10.549 2.867 ( 0.003 4.869 9.358) 10.549 3.049 ( -0.768 -0.892 6.737) 6.839 3.049 ( -0.768 0.892 6.737) 6.839 3.190 ( 0.803 -2.861 3.853) 4.866 3.190 ( 0.803 2.861 3.853) 4.866 3.341 ( -3.700 -2.999 1.629) 5.034 3.341 ( -3.700 2.999 1.629) 5.034 3.502 ( -1.582 -1.616 3.897) 4.506 3.502 ( -1.582 1.616 3.897) 4.506 3.718 ( -1.476 -2.804 -1.133) 3.366 3.718 ( -1.476 2.804 -1.133) 3.366 3.894 ( 4.334 -1.648 -4.929) 6.767 3.894 ( 4.334 1.648 -4.929) 6.767 4.043 ( 5.237 -2.202 -3.009) 6.429 4.043 ( 5.237 2.202 -3.009) 6.429 4.261 ( -1.823 -1.329 -1.606) 2.769 4.261 ( -1.823 1.329 -1.606) 2.769 4.418 ( 5.008 -0.706 -6.875) 8.535 4.418 ( 5.008 0.706 -6.875) 8.535 4.645 ( 1.055 -1.271 -1.319) 2.114 4.645 ( 1.055 1.271 -1.319) 2.114 4.840 ( 3.198 -3.246 -11.002) 11.908 4.840 ( 3.198 3.246 -11.002) 11.908 4.934 ( 0.485 -2.707 1.817) 3.296 4.934 ( 0.485 2.707 1.817) 3.296 5.109 ( 5.027 -3.774 -0.878) 6.347 5.109 ( 5.027 3.774 -0.878) 6.347 5.390 ( -7.689 -1.310 5.720) 9.673 5.390 ( -7.689 1.310 5.720) 9.673 5.652 ( 2.901 -4.411 3.202) 6.175 5.652 ( 2.901 4.411 3.202) 6.175 5.865 ( 0.357 -6.820 0.826) 6.879 5.865 ( 0.357 6.820 0.826) 6.879 6.775 ( -4.970 -4.966 -3.310) 7.766 6.775 ( -4.970 4.966 -3.310) 7.766 7.556 ( -2.082 -4.410 4.556) 6.673 7.556 ( -2.082 4.410 4.556) 6.673 7.764 ( 0.539 -4.093 3.072) 5.145 7.764 ( 0.539 4.093 3.072) 5.145 8.018 ( 0.342 -8.604 -2.622) 9.001 8.018 ( 0.342 8.604 -2.622) 9.001 9.359 ( 0.985 -12.598 -0.538) 12.648 9.359 ( 0.985 12.598 -0.538) 12.648 9.741 ( 1.377 -9.108 -3.212) 9.755 9.741 ( 1.377 9.108 -3.212) 9.755 10.451 ( 2.093 -0.876 -16.648) 16.802 10.451 ( 2.093 0.876 -16.648) 16.802 10.614 ( 1.328 -3.336 -6.291) 7.243 10.614 ( 1.328 3.336 -6.291) 7.243 10.809 ( 4.010 -3.369 -24.560) 25.112 10.809 ( 4.010 3.369 -24.560) 25.112 10.959 ( 1.614 -2.084 -8.898) 9.280 10.959 ( 1.614 2.084 -8.898) 9.280 11.365 ( -0.047 -8.534 0.968) 8.588 11.365 ( -0.047 8.534 0.968) 8.588 11.994 ( -1.673 -10.469 -1.152) 10.664 11.994 ( -1.673 10.469 -1.152) 10.664 12.675 ( -1.417 -6.024 5.548) 8.311 12.675 ( -1.417 6.024 5.548) 8.311 13.164 ( 2.016 -0.728 -2.949) 3.646 13.164 ( 2.016 0.728 -2.949) 3.646 13.296 ( -0.537 -0.998 3.509) 3.688 13.296 ( -0.537 0.998 3.509) 3.688 13.632 ( -1.371 -0.493 1.214) 1.896 13.632 ( -1.371 0.493 1.214) 1.896 14.766 ( 0.610 -2.205 -3.608) 4.272 14.766 ( 0.610 2.205 -3.608) 4.272 14.896 ( 1.064 -1.715 -3.322) 3.887 14.896 ( 1.064 1.715 -3.322) 3.887 15.054 ( -1.027 -1.947 1.526) 2.679 15.054 ( -1.027 1.947 1.526) 2.679 15.386 ( 0.735 -2.151 -3.384) 4.077 15.386 ( 0.735 2.151 -3.384) 4.077 15.519 ( 0.833 -1.297 0.344) 1.580 15.519 ( 0.833 1.297 0.344) 1.580 15.736 ( -0.154 -3.394 -1.031) 3.550 15.736 ( -0.154 3.394 -1.031) 3.550 15.814 ( -1.578 -5.756 0.286) 5.975 15.814 ( -1.578 5.756 0.286) 5.975 16.018 ( 1.133 -6.393 -3.568) 7.409 16.018 ( 1.133 6.393 -3.568) 7.409 17.435 ( 0.508 -5.001 7.394) 8.940 17.435 ( 0.508 5.001 7.394) 8.940 17.505 ( -2.467 -3.574 5.149) 6.736 17.505 ( -2.467 3.574 5.149) 6.736 17.802 ( 0.765 -4.801 5.666) 7.466 17.802 ( 0.765 4.801 5.666) 7.466 18.012 ( -0.374 -3.063 0.664) 3.157 18.012 ( -0.374 3.063 0.664) 3.157 26.537 ( 0.636 -1.930 1.097) 2.310 26.537 ( 0.636 1.930 1.097) 2.310 26.653 ( 1.227 -1.020 -1.158) 1.972 26.653 ( 1.227 1.020 -1.158) 1.972 26.763 ( -1.563 -0.749 -0.437) 1.788 26.763 ( -1.563 0.749 -0.437) 1.788 26.916 ( 0.427 -2.572 0.675) 2.693 26.916 ( 0.427 2.572 0.675) 2.693 27.222 ( -0.452 -4.012 0.428) 4.060 27.222 ( -0.452 4.012 0.428) 4.060 27.500 ( 0.518 -1.910 -0.762) 2.121 27.500 ( 0.518 1.910 -0.762) 2.121 27.714 ( -0.588 -3.828 3.486) 5.211 27.714 ( -0.588 3.828 3.486) 5.211 27.932 ( -0.150 -1.091 8.850) 8.918 27.932 ( -0.150 1.091 8.850) 8.918 28.098 ( 0.192 -4.983 -4.779) 6.907 28.098 ( 0.192 4.983 -4.779) 6.907 28.497 ( 4.010 -3.905 2.933) 6.319 28.497 ( 4.010 3.905 2.933) 6.319 28.604 ( -2.500 -2.956 11.244) 11.892 28.604 ( -2.500 2.956 11.244) 11.892 29.438 ( -3.293 -7.620 -13.143) 15.545 29.438 ( -3.293 7.620 -13.143) 15.545 30.598 ( -0.496 -2.297 0.350) 2.376 30.598 ( -0.496 2.297 0.350) 2.376 31.218 ( 3.794 -4.370 -3.891) 6.973 31.218 ( 3.794 4.370 -3.891) 6.973 31.587 ( -0.584 -5.499 -1.303) 5.681 31.587 ( -0.584 5.499 -1.303) 5.681 31.977 ( -1.708 -6.652 1.886) 7.122 31.977 ( -1.708 6.652 1.886) 7.122 ======================= Grid point 66 (38/63) ======================= q-point: (-0.40 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.739 -7.440 -0.201) 7.643 0.543 ( 1.739 7.440 -0.201) 7.643 0.861 ( -3.637 -4.736 5.678) 8.240 0.861 ( -3.637 4.736 5.678) 8.240 1.054 ( 0.580 -3.788 -0.216) 3.838 1.054 ( 0.580 3.788 -0.216) 3.838 1.161 ( -3.333 -4.139 1.651) 5.565 1.161 ( -3.333 4.139 1.651) 5.565 1.245 ( -0.040 -3.944 2.790) 4.831 1.245 ( -0.040 3.944 2.790) 4.831 1.364 ( 2.101 -2.983 4.818) 6.044 1.364 ( 2.101 2.983 4.818) 6.044 1.474 ( 0.660 -3.798 -0.735) 3.925 1.474 ( 0.660 3.798 -0.735) 3.925 1.568 ( 3.358 -4.146 -4.262) 6.829 1.568 ( 3.358 4.146 -4.262) 6.829 1.693 ( -0.659 -5.360 -0.384) 5.414 1.693 ( -0.659 5.360 -0.384) 5.414 1.745 ( -2.582 -3.564 4.359) 6.194 1.745 ( -2.582 3.564 4.359) 6.194 1.818 ( -2.188 -6.534 2.405) 7.298 1.818 ( -2.188 6.534 2.405) 7.298 1.895 ( -0.258 -0.924 1.861) 2.094 1.895 ( -0.258 0.924 1.861) 2.094 2.084 ( -0.927 -3.072 -0.214) 3.216 2.084 ( -0.927 3.072 -0.214) 3.216 2.260 ( -2.776 -2.537 7.418) 8.317 2.260 ( -2.776 2.537 7.418) 8.317 2.415 ( -4.696 -2.876 19.258) 20.030 2.415 ( -4.696 2.876 19.258) 20.030 2.697 ( -0.925 -1.879 15.506) 15.647 2.697 ( -0.925 1.879 15.506) 15.647 2.801 ( -0.748 -9.362 4.182) 10.281 2.801 ( -0.748 9.362 4.182) 10.281 2.913 ( 0.538 -0.683 9.855) 9.894 2.913 ( 0.538 0.683 9.855) 9.894 3.047 ( -2.031 -1.504 9.787) 10.108 3.047 ( -2.031 1.504 9.787) 10.108 3.193 ( -2.443 -3.777 1.467) 4.731 3.193 ( -2.443 3.777 1.467) 4.731 3.293 ( -0.447 -5.055 2.136) 5.506 3.293 ( -0.447 5.055 2.136) 5.506 3.463 ( -3.118 -3.689 5.869) 7.601 3.463 ( -3.118 3.689 5.869) 7.601 3.676 ( -0.915 -3.835 -6.868) 7.919 3.676 ( -0.915 3.835 -6.868) 7.919 3.959 ( 2.728 -1.402 -2.032) 3.679 3.959 ( 2.728 1.402 -2.032) 3.679 4.107 ( -1.637 -5.335 -0.394) 5.594 4.107 ( -1.637 5.335 -0.394) 5.594 4.217 ( 0.618 -1.402 -3.049) 3.413 4.217 ( 0.618 1.402 -3.049) 3.413 4.441 ( -1.353 -2.050 -3.180) 4.018 4.441 ( -1.353 2.050 -3.180) 4.018 4.608 ( -1.039 -3.900 -8.873) 9.748 4.608 ( -1.039 3.900 -8.873) 9.748 4.876 ( 0.909 -3.516 -5.261) 6.393 4.876 ( 0.909 3.516 -5.261) 6.393 4.951 ( 2.055 -4.844 -2.817) 5.969 4.951 ( 2.055 4.845 -2.817) 5.969 5.222 ( 4.844 -4.366 2.118) 6.856 5.222 ( 4.844 4.366 2.118) 6.856 5.284 ( -4.559 -2.942 6.076) 8.146 5.284 ( -4.559 2.942 6.076) 8.146 5.630 ( -5.024 -6.341 3.355) 8.758 5.630 ( -5.024 6.341 3.355) 8.758 5.899 ( 2.107 -6.205 -0.756) 6.596 5.899 ( 2.107 6.205 -0.756) 6.596 6.725 ( 1.760 -2.040 -2.534) 3.699 6.725 ( 1.760 2.040 -2.534) 3.699 7.544 ( -0.629 -8.584 4.587) 9.753 7.544 ( -0.629 8.584 4.587) 9.753 7.804 ( 1.976 -4.676 3.242) 6.023 7.804 ( 1.976 4.676 3.242) 6.023 8.015 ( 0.369 -8.177 -2.832) 8.661 8.015 ( 0.369 8.177 -2.832) 8.661 9.377 ( 0.921 -11.676 -1.261) 11.780 9.377 ( 0.921 11.676 -1.261) 11.780 9.749 ( 0.284 -8.064 -2.494) 8.446 9.749 ( 0.284 8.064 -2.494) 8.446 10.445 ( 3.039 -0.830 -16.191) 16.495 10.445 ( 3.039 0.830 -16.191) 16.495 10.605 ( 0.450 -4.094 -8.990) 9.889 10.605 ( 0.450 4.094 -8.990) 9.889 10.821 ( 5.093 -2.493 -23.609) 24.281 10.821 ( 5.093 2.493 -23.609) 24.281 10.974 ( 2.631 -2.233 -8.153) 8.853 10.974 ( 2.631 2.233 -8.153) 8.853 11.351 ( -1.552 -9.503 1.228) 9.707 11.351 ( -1.552 9.503 1.228) 9.707 11.985 ( 1.322 -11.005 -1.304) 11.160 11.985 ( 1.322 11.005 -1.304) 11.160 12.681 ( 0.070 -5.774 5.637) 8.069 12.681 ( 0.070 5.774 5.637) 8.069 13.159 ( -1.247 -1.214 -2.175) 2.786 13.159 ( -1.247 1.214 -2.175) 2.786 13.325 ( 1.513 -1.236 2.767) 3.388 13.325 ( 1.513 1.236 2.767) 3.388 13.608 ( -0.972 -0.580 1.270) 1.701 13.608 ( -0.972 0.580 1.270) 1.701 14.769 ( 0.953 -2.539 -3.730) 4.612 14.769 ( 0.953 2.539 -3.730) 4.612 14.885 ( -0.864 -0.221 -3.085) 3.211 14.885 ( -0.864 0.221 -3.085) 3.211 15.072 ( 2.070 -1.419 0.828) 2.643 15.072 ( 2.070 1.419 0.828) 2.643 15.383 ( 0.084 -1.971 -3.161) 3.726 15.383 ( 0.084 1.971 -3.161) 3.726 15.532 ( 0.166 -1.633 0.144) 1.647 15.532 ( 0.166 1.633 0.144) 1.647 15.729 ( -0.373 -4.957 -0.080) 4.972 15.729 ( -0.373 4.957 -0.080) 4.972 15.792 ( -0.159 -4.160 -0.517) 4.195 15.792 ( -0.159 4.160 -0.517) 4.195 16.019 ( 0.126 -5.952 -3.420) 6.866 16.019 ( 0.126 5.952 -3.420) 6.866 17.431 ( -2.646 -0.723 5.712) 6.337 17.431 ( -2.646 0.723 5.712) 6.337 17.508 ( 0.358 -2.834 6.847) 7.419 17.508 ( 0.358 2.834 6.847) 7.419 17.835 ( 0.235 -5.086 5.878) 7.776 17.835 ( 0.235 5.086 5.878) 7.776 17.978 ( -2.831 -2.979 0.173) 4.113 17.978 ( -2.831 2.979 0.173) 4.113 26.545 ( -0.435 -2.756 1.240) 3.053 26.545 ( -0.435 2.756 1.240) 3.053 26.678 ( 0.844 -0.732 -1.422) 1.809 26.678 ( 0.844 0.732 -1.422) 1.809 26.746 ( 0.675 -1.305 -0.296) 1.499 26.746 ( 0.675 1.305 -0.296) 1.499 26.916 ( -0.515 -2.949 0.605) 3.054 26.916 ( -0.515 2.949 0.605) 3.054 27.235 ( 1.515 -3.414 -0.069) 3.736 27.235 ( 1.515 3.414 -0.069) 3.736 27.518 ( 0.678 -3.182 1.857) 3.746 27.518 ( 0.678 3.182 1.857) 3.746 27.695 ( -1.799 -4.193 1.720) 4.876 27.695 ( -1.799 4.193 1.720) 4.876 27.961 ( -0.407 -0.725 8.681) 8.721 27.961 ( -0.407 0.725 8.681) 8.721 28.079 ( 0.029 -3.039 -5.055) 5.899 28.079 ( 0.029 3.039 -5.055) 5.899 28.552 ( -1.701 -3.510 4.567) 6.006 28.552 ( -1.701 3.510 4.567) 6.006 28.606 ( 0.186 -1.187 8.714) 8.797 28.606 ( 0.186 1.187 8.714) 8.797 29.301 ( -4.103 -3.111 -10.781) 11.947 29.301 ( -4.103 3.111 -10.781) 11.947 30.614 ( 1.860 -2.864 -0.526) 3.455 30.614 ( 1.860 2.864 -0.526) 3.455 31.232 ( -1.390 -3.634 -3.622) 5.316 31.232 ( -1.390 3.634 -3.622) 5.316 31.608 ( 2.952 -8.436 -2.335) 9.238 31.608 ( 2.952 8.436 -2.335) 9.238 32.000 ( 3.210 -3.411 1.824) 5.026 32.000 ( 3.210 3.411 1.824) 5.026 ======================= Grid point 68 (39/63) ======================= q-point: (-0.20 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 3.433 -12.545 3.021) 13.352 0.609 ( 3.433 12.545 3.021) 13.352 0.797 ( -3.574 -7.751 2.869) 9.005 0.797 ( -3.574 7.751 2.869) 9.005 1.046 ( -0.795 -5.919 2.645) 6.531 1.046 ( -0.795 5.919 2.645) 6.531 1.108 ( -2.567 -1.459 2.174) 3.667 1.108 ( -2.567 1.459 2.174) 3.667 1.235 ( -1.588 -3.405 1.350) 3.992 1.235 ( -1.588 3.405 1.350) 3.992 1.382 ( -1.145 -2.059 1.823) 2.979 1.382 ( -1.145 2.059 1.823) 2.979 1.470 ( -1.133 -2.345 1.413) 2.963 1.470 ( -1.133 2.345 1.413) 2.963 1.604 ( 0.874 -2.401 -3.150) 4.056 1.604 ( 0.874 2.401 -3.150) 4.056 1.689 ( -0.604 -1.623 2.569) 3.098 1.689 ( -0.604 1.623 2.569) 3.098 1.754 ( 0.375 -7.747 0.818) 7.800 1.754 ( 0.375 7.747 0.818) 7.800 1.793 ( 1.833 -1.157 4.417) 4.920 1.793 ( 1.833 1.157 4.417) 4.920 1.931 ( 1.509 -3.436 4.254) 5.673 1.931 ( 1.509 3.436 4.254) 5.673 2.088 ( 0.875 -2.460 -0.574) 2.673 2.088 ( 0.875 2.460 -0.574) 2.673 2.257 ( 0.936 -4.870 7.062) 8.629 2.257 ( 0.936 4.870 7.062) 8.629 2.425 ( -0.632 -1.946 18.860) 18.971 2.425 ( -0.632 1.946 18.860) 18.971 2.677 ( -6.634 -1.608 15.171) 16.636 2.677 ( -6.634 1.608 15.171) 16.636 2.805 ( -0.461 -9.183 4.988) 10.461 2.805 ( -0.461 9.183 4.988) 10.461 2.924 ( -1.683 -7.949 3.607) 8.890 2.924 ( -1.683 7.949 3.607) 8.890 3.046 ( -1.517 -0.386 12.217) 12.317 3.046 ( -1.517 0.386 12.217) 12.317 3.152 ( -1.162 -4.060 1.543) 4.496 3.152 ( -1.162 4.060 1.543) 4.496 3.304 ( -0.096 -8.708 4.460) 9.784 3.304 ( -0.096 8.708 4.460) 9.784 3.428 ( -1.690 -4.752 2.013) 5.431 3.428 ( -1.690 4.752 2.013) 5.431 3.656 ( 1.234 -6.115 -5.374) 8.234 3.656 ( 1.234 6.115 -5.374) 8.234 3.955 ( -3.768 -4.217 0.065) 5.655 3.955 ( -3.768 4.217 0.065) 5.655 4.015 ( -2.378 -7.892 -3.334) 8.891 4.015 ( -2.378 7.892 -3.334) 8.891 4.248 ( 0.486 -2.408 -1.027) 2.663 4.248 ( 0.486 2.408 -1.027) 2.663 4.359 ( -3.759 -3.988 -4.062) 6.822 4.359 ( -3.759 3.988 -4.062) 6.822 4.586 ( 0.963 -7.109 -6.402) 9.615 4.586 ( 0.963 7.109 -6.402) 9.615 4.838 ( -1.833 -1.236 -3.618) 4.240 4.838 ( -1.833 1.236 -3.618) 4.240 4.980 ( 0.980 -3.381 -3.275) 4.808 4.980 ( 0.980 3.381 -3.275) 4.808 5.191 ( -6.793 -5.993 6.913) 11.395 5.191 ( -6.793 5.993 6.913) 11.395 5.302 ( 2.551 -3.990 -1.098) 4.861 5.302 ( 2.551 3.990 -1.098) 4.861 5.602 ( 2.865 -3.901 1.498) 5.066 5.602 ( 2.865 3.901 1.498) 5.066 5.897 ( -2.569 -2.509 1.126) 3.764 5.897 ( -2.569 2.509 1.126) 3.764 6.808 ( 5.420 -1.826 0.524) 5.743 6.808 ( 5.420 1.826 0.524) 5.743 7.557 ( 0.300 -10.317 3.753) 10.982 7.557 ( 0.300 10.317 3.753) 10.982 7.848 ( 0.848 -4.273 2.523) 5.034 7.848 ( 0.848 4.273 2.523) 5.034 8.015 ( 0.562 -7.933 -2.764) 8.420 8.015 ( 0.562 7.933 -2.764) 8.420 9.381 ( -0.089 -12.152 -1.737) 12.276 9.381 ( -0.089 12.152 -1.737) 12.276 9.736 ( -0.519 -8.304 -2.784) 8.773 9.736 ( -0.519 8.304 -2.784) 8.773 10.462 ( 3.639 -0.629 -14.571) 15.032 10.462 ( 3.639 0.629 -14.571) 15.032 10.580 ( 0.870 -4.305 -11.341) 12.162 10.580 ( 0.870 4.305 -11.341) 12.162 10.843 ( 4.720 -2.022 -23.013) 23.578 10.843 ( 4.720 2.022 -23.013) 23.578 10.997 ( 2.169 -1.657 -9.475) 9.860 10.997 ( 2.169 1.657 -9.475) 9.860 11.324 ( -1.238 -8.332 1.849) 8.624 11.324 ( -1.238 8.332 1.849) 8.624 12.026 ( 2.457 -10.424 -0.396) 10.717 12.026 ( 2.457 10.424 -0.396) 10.717 12.709 ( 0.625 -5.734 4.769) 7.484 12.709 ( 0.625 5.734 4.769) 7.484 13.116 ( -2.020 -1.580 -1.255) 2.856 13.116 ( -2.020 1.580 -1.255) 2.856 13.352 ( -0.060 -1.315 3.660) 3.890 13.352 ( -0.060 1.315 3.660) 3.890 13.610 ( 0.933 -0.841 -0.098) 1.260 13.610 ( 0.933 0.841 -0.098) 1.260 14.778 ( 1.090 -2.504 -3.853) 4.723 14.778 ( 1.090 2.504 -3.853) 4.723 14.854 ( -0.776 -0.668 -2.945) 3.118 14.854 ( -0.776 0.668 -2.945) 3.118 15.120 ( 1.896 -1.063 -0.072) 2.175 15.120 ( 1.896 1.063 -0.072) 2.175 15.372 ( -0.049 -1.487 -2.555) 2.957 15.372 ( -0.049 1.487 -2.555) 2.957 15.523 ( -0.921 -2.353 -0.229) 2.537 15.523 ( -0.921 2.353 -0.229) 2.537 15.732 ( 0.807 -5.400 -0.049) 5.460 15.732 ( 0.807 5.400 -0.049) 5.460 15.803 ( 1.120 -3.853 -0.284) 4.023 15.803 ( 1.120 3.853 -0.284) 4.023 16.002 ( -0.316 -6.167 -3.754) 7.226 16.002 ( -0.316 6.167 -3.754) 7.226 17.392 ( -3.099 -1.606 6.859) 7.697 17.392 ( -3.099 1.606 6.859) 7.697 17.544 ( 0.612 -0.876 7.435) 7.511 17.544 ( 0.612 0.876 7.435) 7.511 17.827 ( -3.333 -3.755 4.416) 6.687 17.827 ( -3.333 3.755 4.416) 6.687 17.934 ( -0.620 -3.733 1.546) 4.087 17.934 ( -0.620 3.733 1.546) 4.087 26.536 ( -0.593 -3.095 1.215) 3.377 26.536 ( -0.593 3.095 1.215) 3.377 26.660 ( -1.478 -0.941 -0.804) 1.928 26.660 ( -1.478 0.941 -0.804) 1.928 26.786 ( 2.368 -1.462 -0.751) 2.883 26.786 ( 2.368 1.462 -0.751) 2.883 26.907 ( -0.550 -2.980 0.558) 3.081 26.907 ( -0.550 2.980 0.558) 3.081 27.272 ( 2.051 -3.282 -1.812) 4.273 27.272 ( 2.051 3.282 -1.812) 4.273 27.525 ( -0.868 -3.739 2.992) 4.867 27.525 ( -0.868 3.739 2.992) 4.867 27.668 ( -0.887 -4.600 0.351) 4.698 27.668 ( -0.887 4.600 0.351) 4.698 27.955 ( -2.530 -1.129 5.337) 6.014 27.955 ( -2.530 1.129 5.337) 6.014 28.088 ( 1.867 -2.022 -1.060) 2.949 28.088 ( 1.867 2.022 -1.060) 2.949 28.469 ( -6.207 -3.128 -0.025) 6.951 28.469 ( -6.207 3.128 -0.025) 6.951 28.629 ( -1.410 -1.546 9.358) 9.589 28.629 ( -1.410 1.546 9.358) 9.589 29.274 ( 4.526 -5.511 -5.416) 8.955 29.274 ( 4.526 5.511 -5.416) 8.955 30.654 ( 1.764 -3.142 -0.402) 3.626 30.654 ( 1.764 3.142 -0.402) 3.626 31.165 ( -3.216 -6.957 -2.652) 8.110 31.165 ( -3.216 6.957 -2.652) 8.110 31.658 ( 2.741 -7.725 -6.291) 10.332 31.658 ( 2.741 7.725 -6.291) 10.332 32.086 ( 3.320 -4.850 2.031) 6.218 32.086 ( 3.320 4.850 2.031) 6.218 ======================= Grid point 75 (40/63) ======================= q-point: ( 0.00 0.00 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 10.258 0.000 14.697) 17.923 0.862 ( 1.650 0.000 12.435) 12.544 1.001 ( -2.474 0.000 1.178) 2.740 1.013 ( -0.452 0.000 3.457) 3.486 1.103 ( -4.008 0.000 -0.182) 4.012 1.167 ( 5.494 0.000 1.445) 5.681 1.235 ( -2.137 0.000 3.143) 3.801 1.291 ( -2.733 0.000 -0.201) 2.740 1.313 ( 0.652 0.000 0.310) 0.722 1.347 ( -2.767 0.000 6.878) 7.414 1.354 ( 2.473 0.000 3.347) 4.161 1.410 ( -3.783 0.000 -2.673) 4.632 1.508 ( 1.133 0.000 0.990) 1.505 1.518 ( -4.793 0.000 1.805) 5.122 1.577 ( 2.959 0.000 -3.590) 4.652 1.667 ( -1.677 0.000 -7.736) 7.916 1.716 ( 0.773 0.000 5.578) 5.631 1.724 ( 2.272 0.000 1.881) 2.950 1.779 ( -2.385 0.000 5.003) 5.542 1.872 ( -2.286 0.000 0.171) 2.292 1.914 ( -2.064 0.000 2.707) 3.404 1.935 ( -2.080 0.000 -2.209) 3.034 1.990 ( 2.137 0.000 4.195) 4.709 2.008 ( 4.598 0.000 -2.128) 5.067 2.083 ( -1.139 0.000 -4.134) 4.288 2.164 ( 6.433 0.000 -2.365) 6.854 2.211 ( -0.003 0.000 -1.053) 1.053 2.247 ( 1.471 0.000 -1.553) 2.139 2.378 ( -0.404 0.000 3.508) 3.531 2.531 ( 3.871 0.000 0.885) 3.971 2.603 ( 3.310 0.000 -0.733) 3.390 2.700 ( -4.429 0.000 -6.290) 7.692 2.783 ( 0.032 0.000 6.350) 6.350 2.923 ( -3.697 0.000 1.216) 3.892 2.942 ( 0.452 0.000 5.417) 5.436 3.031 ( -3.546 0.000 4.680) 5.871 3.175 ( -0.507 0.000 6.272) 6.293 3.192 ( -5.918 0.000 8.329) 10.218 3.345 ( 1.394 0.000 -2.277) 2.670 3.355 ( 2.325 0.000 4.372) 4.951 3.367 ( -4.190 0.000 12.713) 13.386 3.438 ( 0.737 0.000 4.593) 4.652 3.533 ( -0.819 0.000 3.220) 3.323 3.549 ( -1.630 0.000 1.414) 2.158 3.567 ( 0.223 0.000 4.142) 4.148 3.746 ( 0.574 0.000 -5.085) 5.117 3.803 ( 2.730 0.000 1.128) 2.954 3.861 ( -0.715 0.000 -3.461) 3.534 3.948 ( -3.156 0.000 9.888) 10.380 4.115 ( -0.349 0.000 2.246) 2.273 4.129 ( 2.532 0.000 5.832) 6.358 4.395 ( 2.133 0.000 6.196) 6.553 4.415 ( 0.196 0.000 9.090) 9.092 4.478 ( -0.040 0.000 -2.233) 2.234 4.527 ( -0.200 0.000 0.987) 1.007 4.530 ( -1.900 0.000 -2.080) 2.817 4.580 ( -3.321 0.000 -10.702) 11.205 4.630 ( 0.130 0.000 -6.050) 6.051 4.925 ( -0.611 0.000 -5.124) 5.160 4.937 ( 6.240 0.000 -7.248) 9.564 4.964 ( -2.840 0.000 4.225) 5.091 5.084 ( -2.064 0.000 -0.476) 2.118 5.542 ( -4.737 0.000 10.595) 11.606 5.648 ( -2.469 0.000 3.628) 4.388 5.656 ( 6.582 0.000 5.779) 8.759 5.903 ( -4.018 0.000 5.794) 7.051 5.915 ( -1.425 0.000 -2.499) 2.877 6.014 ( 4.189 0.000 -2.466) 4.861 6.727 ( -2.887 0.000 -0.142) 2.890 6.728 ( -1.482 0.000 1.167) 1.887 7.418 ( 2.089 0.000 6.203) 6.546 7.583 ( -1.542 0.000 -2.640) 3.057 7.787 ( 0.126 0.000 0.222) 0.256 7.814 ( -0.355 0.000 -1.045) 1.104 8.099 ( -0.909 0.000 0.604) 1.091 8.163 ( 0.682 0.000 -1.239) 1.414 9.033 ( 0.031 0.000 3.604) 3.605 9.234 ( 0.785 0.000 -5.439) 5.495 9.724 ( 2.032 0.000 -16.153) 16.281 9.774 ( -1.358 0.000 -13.776) 13.843 9.976 ( 7.302 0.000 -19.811) 21.114 10.082 ( -0.025 0.000 -22.071) 22.071 10.183 ( 5.561 0.000 -8.023) 9.762 10.363 ( 2.713 0.000 -16.670) 16.889 10.656 ( 1.631 0.000 3.432) 3.800 10.839 ( -1.075 0.000 -3.950) 4.094 10.840 ( -0.270 0.000 2.137) 2.154 10.928 ( 0.309 0.000 -1.625) 1.654 11.166 ( -2.733 0.000 5.916) 6.517 11.523 ( 3.745 0.000 -10.776) 11.408 11.813 ( -2.100 0.000 9.393) 9.625 12.141 ( -0.439 0.000 -6.796) 6.810 12.670 ( -0.369 0.000 10.962) 10.969 12.937 ( -0.876 0.000 4.981) 5.057 13.021 ( 0.503 0.000 -5.712) 5.734 13.123 ( 0.514 0.000 -3.866) 3.900 13.425 ( 0.525 0.000 3.352) 3.393 13.442 ( -3.309 0.000 3.206) 4.607 13.599 ( 2.252 0.000 -0.494) 2.306 13.613 ( 0.218 0.000 -0.920) 0.945 14.691 ( 1.271 0.000 0.111) 1.276 14.754 ( -0.661 0.000 -0.928) 1.140 14.756 ( -0.544 0.000 -3.144) 3.190 14.830 ( 2.724 0.000 -4.346) 5.129 15.138 ( -1.277 0.000 0.140) 1.284 15.168 ( -0.017 0.000 -1.044) 1.044 15.281 ( -0.157 0.000 1.457) 1.465 15.345 ( 0.703 0.000 -1.354) 1.526 15.548 ( -1.309 0.000 3.975) 4.185 15.585 ( -3.182 0.000 2.230) 3.886 15.604 ( 1.845 0.000 1.076) 2.136 15.709 ( 2.681 0.000 -3.517) 4.422 15.781 ( 0.737 0.000 0.938) 1.193 15.825 ( -1.978 0.000 -1.119) 2.273 16.116 ( 1.383 0.000 0.427) 1.447 16.188 ( 0.841 0.000 -3.552) 3.651 17.404 ( -3.106 0.000 6.204) 6.938 17.559 ( 0.928 0.000 3.747) 3.861 17.598 ( -3.936 0.000 -0.445) 3.961 17.682 ( 1.339 0.000 0.910) 1.619 17.748 ( 1.039 0.000 5.061) 5.167 17.820 ( -1.367 0.000 1.845) 2.296 17.978 ( 0.736 0.000 2.051) 2.178 17.999 ( -0.242 0.000 1.424) 1.445 26.491 ( 0.129 0.000 2.251) 2.254 26.578 ( -0.242 0.000 -1.897) 1.913 26.583 ( -4.926 0.000 1.754) 5.229 26.682 ( 3.846 0.000 -2.043) 4.355 26.777 ( 2.142 0.000 1.375) 2.545 26.837 ( -0.755 0.000 -1.651) 1.815 26.883 ( 0.850 0.000 2.700) 2.831 26.968 ( -3.166 0.000 -1.316) 3.428 27.195 ( -0.288 0.000 1.090) 1.128 27.281 ( 0.980 0.000 -4.704) 4.805 27.447 ( -0.600 0.000 3.261) 3.315 27.579 ( -0.970 0.000 -2.339) 2.532 27.643 ( -2.244 0.000 3.507) 4.164 27.772 ( 3.043 0.000 -1.489) 3.388 27.920 ( -5.241 0.000 1.102) 5.356 27.933 ( 2.824 0.000 -0.971) 2.986 28.049 ( 3.934 0.000 5.447) 6.719 28.245 ( -10.163 0.000 -3.516) 10.754 28.332 ( 5.943 0.000 3.461) 6.878 28.448 ( -0.262 0.000 -1.707) 1.727 28.841 ( -0.688 0.000 4.857) 4.905 28.912 ( 1.291 0.000 0.313) 1.329 28.930 ( -0.936 0.000 12.242) 12.277 29.482 ( 4.359 0.000 -13.008) 13.719 30.670 ( 1.240 0.000 3.312) 3.537 30.758 ( -0.955 0.000 -0.305) 1.002 30.873 ( -2.116 0.000 7.253) 7.556 31.253 ( 5.623 0.000 -11.288) 12.611 31.365 ( 2.417 0.000 1.069) 2.643 31.528 ( -6.697 0.000 -7.051) 9.724 32.087 ( -3.366 0.000 7.527) 8.245 32.303 ( 2.059 0.000 -4.056) 4.549 ======================= Grid point 76 (41/63) ======================= q-point: ( 0.20 0.00 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -6.369 0.000 4.091) 7.570 0.905 ( -2.601 0.000 7.911) 8.327 0.964 ( -4.694 0.000 5.333) 7.104 1.020 ( -1.694 0.000 -4.628) 4.928 1.035 ( 5.337 0.000 5.363) 7.566 1.168 ( -3.535 0.000 2.916) 4.582 1.236 ( -2.213 0.000 1.850) 2.885 1.278 ( 0.787 0.000 1.639) 1.818 1.297 ( -2.325 0.000 5.618) 6.080 1.307 ( -0.440 0.000 3.092) 3.123 1.329 ( -0.636 0.000 -2.101) 2.196 1.412 ( -3.330 0.000 0.089) 3.331 1.435 ( 2.087 0.000 2.647) 3.370 1.484 ( -2.584 0.000 -1.581) 3.029 1.596 ( -2.076 0.000 -6.001) 6.350 1.646 ( 1.815 0.000 -0.174) 1.823 1.677 ( -4.129 0.000 2.966) 5.084 1.739 ( -0.924 0.000 1.732) 1.962 1.809 ( 1.953 0.000 5.066) 5.430 1.862 ( 3.039 0.000 1.487) 3.383 1.876 ( -3.498 0.000 0.179) 3.502 1.939 ( 2.228 0.000 -1.398) 2.631 1.986 ( -3.421 0.000 -0.981) 3.559 2.074 ( 1.935 0.000 1.446) 2.415 2.096 ( 1.136 0.000 -2.160) 2.440 2.170 ( -0.016 0.000 -1.406) 1.406 2.194 ( -1.041 0.000 -0.922) 1.390 2.355 ( 6.166 0.000 -3.929) 7.312 2.407 ( 1.757 0.000 3.680) 4.078 2.593 ( -1.285 0.000 -3.924) 4.129 2.659 ( 0.406 0.000 1.165) 1.234 2.687 ( 7.817 0.000 -3.383) 8.517 2.834 ( 1.819 0.000 6.870) 7.106 2.877 ( -0.862 0.000 1.290) 1.551 3.000 ( 1.458 0.000 8.215) 8.344 3.020 ( 1.920 0.000 2.854) 3.440 3.141 ( 1.042 0.000 1.979) 2.237 3.181 ( -1.471 0.000 11.710) 11.802 3.286 ( -6.482 0.000 10.548) 12.380 3.343 ( -2.387 0.000 12.110) 12.343 3.414 ( 3.055 0.000 0.197) 3.061 3.504 ( 0.648 0.000 5.082) 5.123 3.534 ( -0.326 0.000 4.586) 4.597 3.590 ( 1.735 0.000 1.328) 2.185 3.628 ( 1.656 0.000 -6.761) 6.961 3.773 ( 3.647 0.000 -9.362) 10.048 3.870 ( 1.761 0.000 -3.715) 4.111 3.872 ( 10.881 0.000 -3.377) 11.393 3.911 ( -1.982 0.000 9.424) 9.630 4.042 ( -7.812 0.000 7.960) 11.153 4.188 ( 1.092 0.000 7.850) 7.926 4.350 ( -6.377 0.000 5.205) 8.231 4.377 ( -5.982 0.000 8.809) 10.648 4.445 ( -1.715 0.000 -12.300) 12.419 4.516 ( 3.718 0.000 -0.209) 3.724 4.581 ( 3.294 0.000 2.421) 4.088 4.587 ( 2.299 0.000 -3.440) 4.138 4.694 ( 6.997 0.000 -3.809) 7.967 4.885 ( -0.833 0.000 -6.503) 6.557 4.918 ( -2.766 0.000 6.355) 6.931 5.041 ( 5.181 0.000 -8.410) 9.878 5.071 ( 1.569 0.000 -1.150) 1.945 5.477 ( -3.889 0.000 9.910) 10.646 5.539 ( -6.336 0.000 0.643) 6.368 5.787 ( -8.647 0.000 7.847) 11.677 5.835 ( 6.585 0.000 5.241) 8.416 5.866 ( -4.987 0.000 1.556) 5.224 6.095 ( 4.895 0.000 -3.699) 6.135 6.687 ( -0.979 0.000 1.904) 2.141 6.711 ( -0.688 0.000 2.490) 2.583 7.498 ( 3.420 0.000 5.051) 6.100 7.571 ( 1.563 0.000 -2.508) 2.955 7.760 ( -3.286 0.000 0.900) 3.407 7.795 ( -0.962 0.000 -1.451) 1.741 8.068 ( -2.049 0.000 1.168) 2.358 8.170 ( 0.410 0.000 -1.478) 1.534 9.044 ( -0.226 0.000 3.494) 3.502 9.222 ( 0.140 0.000 -5.990) 5.991 9.718 ( 0.928 0.000 -14.173) 14.204 9.737 ( 4.471 0.000 -14.171) 14.859 9.998 ( -0.850 0.000 -20.687) 20.704 10.066 ( 7.188 0.000 -16.543) 18.037 10.246 ( 3.622 0.000 -11.293) 11.859 10.324 ( -0.286 0.000 -19.299) 19.301 10.679 ( -1.065 0.000 4.169) 4.303 10.780 ( -2.503 0.000 -4.296) 4.972 10.845 ( -0.081 0.000 2.508) 2.509 10.924 ( 0.002 0.000 -1.935) 1.935 11.119 ( -2.821 0.000 4.238) 5.091 11.529 ( 0.416 0.000 -10.152) 10.161 11.835 ( 0.428 0.000 10.752) 10.760 12.153 ( 3.516 0.000 -6.106) 7.046 12.713 ( 0.599 0.000 10.740) 10.757 12.926 ( -1.805 0.000 4.614) 4.955 13.030 ( 2.407 0.000 -6.628) 7.052 13.114 ( 0.106 0.000 -3.318) 3.320 13.360 ( -4.860 0.000 2.937) 5.679 13.399 ( -3.706 0.000 2.526) 4.485 13.631 ( 1.404 0.000 -0.511) 1.495 13.637 ( 1.174 0.000 -0.169) 1.186 14.692 ( -1.073 0.000 0.132) 1.081 14.741 ( 0.235 0.000 -3.778) 3.785 14.767 ( 2.011 0.000 -1.260) 2.373 14.861 ( 1.586 0.000 -4.306) 4.589 15.092 ( -2.657 0.000 1.162) 2.900 15.144 ( -1.683 0.000 -0.671) 1.812 15.291 ( 0.414 0.000 1.197) 1.267 15.365 ( 1.415 0.000 -1.621) 2.151 15.527 ( -1.625 0.000 3.136) 3.532 15.534 ( -2.283 0.000 1.277) 2.616 15.647 ( 2.018 0.000 2.009) 2.848 15.764 ( 2.495 0.000 -2.640) 3.633 15.787 ( -0.287 0.000 -1.260) 1.293 15.791 ( -0.648 0.000 1.909) 2.016 16.138 ( 0.575 0.000 -0.334) 0.666 16.195 ( 1.051 0.000 -4.052) 4.186 17.381 ( -0.940 0.000 6.645) 6.711 17.516 ( -3.577 0.000 3.096) 4.731 17.597 ( 1.166 0.000 1.453) 1.863 17.716 ( 0.562 0.000 1.248) 1.368 17.778 ( 0.222 0.000 4.348) 4.354 17.789 ( -1.229 0.000 1.034) 1.606 18.005 ( 0.970 0.000 1.539) 1.819 18.013 ( 0.850 0.000 1.304) 1.556 26.506 ( -0.123 0.000 2.804) 2.807 26.522 ( -0.876 0.000 0.668) 1.102 26.576 ( 0.867 0.000 -2.029) 2.206 26.719 ( -0.866 0.000 -0.334) 0.928 26.805 ( 0.131 0.000 1.665) 1.670 26.828 ( 0.392 0.000 -2.089) 2.126 26.901 ( -0.259 0.000 3.585) 3.594 26.911 ( -0.371 0.000 -2.114) 2.147 27.192 ( -0.607 0.000 2.228) 2.310 27.292 ( 1.600 0.000 -4.908) 5.162 27.454 ( 0.495 0.000 3.082) 3.122 27.563 ( 0.443 0.000 0.365) 0.574 27.636 ( 0.284 0.000 3.433) 3.445 27.843 ( -2.411 0.000 0.772) 2.532 27.865 ( 4.627 0.000 -2.971) 5.499 28.024 ( 3.614 0.000 3.179) 4.813 28.052 ( -5.368 0.000 -3.325) 6.314 28.095 ( -1.278 0.000 5.892) 6.029 28.469 ( 5.957 0.000 1.128) 6.063 28.493 ( 5.038 0.000 -0.933) 5.124 28.822 ( -2.444 0.000 1.861) 3.072 28.940 ( -2.524 0.000 13.769) 13.999 28.954 ( 3.308 0.000 -0.650) 3.372 29.452 ( -2.413 0.000 -16.743) 16.916 30.675 ( -1.853 0.000 3.593) 4.043 30.760 ( 1.789 0.000 -2.703) 3.241 30.816 ( -4.482 0.000 5.039) 6.743 31.227 ( -5.045 0.000 -10.616) 11.754 31.476 ( 4.870 0.000 -3.916) 6.249 31.491 ( 7.700 0.000 3.303) 8.379 32.008 ( -6.423 0.000 7.101) 9.575 32.261 ( -4.440 0.000 -2.486) 5.089 ======================= Grid point 77 (42/63) ======================= q-point: ( 0.40 0.00 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -14.113 0.000 -0.118) 14.113 0.848 ( -1.387 0.000 -4.349) 4.565 0.875 ( -5.525 0.000 9.677) 11.143 1.037 ( 2.881 0.000 0.698) 2.965 1.051 ( -4.458 0.000 6.396) 7.797 1.125 ( -0.139 0.000 1.240) 1.247 1.208 ( -2.257 0.000 1.313) 2.611 1.251 ( -3.239 0.000 -0.437) 3.268 1.303 ( -1.750 0.000 2.824) 3.322 1.330 ( 3.885 0.000 2.191) 4.460 1.347 ( 1.027 0.000 0.833) 1.322 1.424 ( 3.546 0.000 0.057) 3.547 1.443 ( 0.594 0.000 -2.424) 2.496 1.493 ( 2.585 0.000 3.762) 4.564 1.568 ( 0.839 0.000 -4.619) 4.695 1.615 ( -3.708 0.000 0.617) 3.759 1.621 ( -0.896 0.000 2.648) 2.795 1.734 ( -0.309 0.000 -1.219) 1.258 1.806 ( -3.524 0.000 3.204) 4.763 1.863 ( -4.034 0.000 2.621) 4.811 1.867 ( 2.258 0.000 3.124) 3.855 1.959 ( 2.581 0.000 -0.293) 2.597 2.023 ( -4.321 0.000 0.433) 4.343 2.039 ( 5.425 0.000 -2.059) 5.802 2.076 ( -3.268 0.000 6.386) 7.174 2.185 ( 0.658 0.000 -2.199) 2.296 2.196 ( 0.681 0.000 -4.781) 4.829 2.427 ( 1.538 0.000 -3.168) 3.522 2.443 ( 0.076 0.000 2.351) 2.352 2.533 ( -2.630 0.000 -3.882) 4.689 2.638 ( -2.388 0.000 5.056) 5.592 2.834 ( 7.496 0.000 -6.086) 9.656 2.886 ( 0.579 0.000 7.831) 7.852 2.892 ( 0.327 0.000 3.626) 3.641 2.995 ( -2.978 0.000 6.550) 7.195 3.114 ( 4.018 0.000 5.593) 6.887 3.166 ( -4.505 0.000 9.332) 10.363 3.240 ( 0.343 0.000 11.426) 11.432 3.250 ( 4.079 0.000 4.615) 6.159 3.362 ( 1.827 0.000 4.116) 4.503 3.424 ( -1.735 0.000 0.531) 1.815 3.520 ( -3.732 0.000 12.502) 13.047 3.544 ( -1.306 0.000 3.623) 3.851 3.558 ( -0.790 0.000 -0.528) 0.950 3.656 ( 3.241 0.000 -2.744) 4.247 3.753 ( -0.699 0.000 -4.021) 4.081 3.851 ( 0.274 0.000 -1.568) 1.591 3.918 ( -4.449 0.000 5.116) 6.780 3.946 ( 0.941 0.000 0.916) 1.313 4.129 ( -1.822 0.000 -7.513) 7.731 4.219 ( -0.562 0.000 5.986) 6.013 4.264 ( -7.564 0.000 9.647) 12.259 4.296 ( 12.142 0.000 -1.969) 12.300 4.403 ( -1.039 0.000 -5.101) 5.206 4.618 ( 4.029 0.000 1.240) 4.215 4.621 ( 1.955 0.000 -2.019) 2.810 4.621 ( 1.377 0.000 1.345) 1.925 4.767 ( 0.692 0.000 -4.884) 4.933 4.869 ( -4.775 0.000 4.009) 6.235 4.895 ( 4.325 0.000 -7.605) 8.749 5.076 ( 0.857 0.000 -4.543) 4.623 5.150 ( 6.575 0.000 -4.697) 8.080 5.448 ( -2.558 0.000 8.959) 9.317 5.475 ( 0.379 0.000 -0.682) 0.780 5.613 ( -9.573 0.000 10.424) 14.153 5.747 ( -5.520 0.000 4.022) 6.830 5.959 ( 3.104 0.000 4.913) 5.811 6.154 ( 1.169 0.000 -2.500) 2.760 6.703 ( 1.807 0.000 1.607) 2.418 6.717 ( 0.503 0.000 2.391) 2.443 7.575 ( 0.749 0.000 6.117) 6.163 7.628 ( 4.271 0.000 -1.883) 4.667 7.664 ( -4.668 0.000 0.527) 4.698 7.768 ( -0.889 0.000 -2.197) 2.371 8.044 ( -0.491 0.000 1.587) 1.661 8.167 ( 0.022 0.000 -2.600) 2.600 9.045 ( -0.819 0.000 2.614) 2.739 9.209 ( 0.868 0.000 -6.495) 6.553 9.715 ( 2.971 0.000 -11.400) 11.780 9.810 ( 6.760 0.000 -10.416) 12.417 9.910 ( -0.717 0.000 -20.521) 20.533 10.147 ( 6.233 0.000 -16.175) 17.334 10.226 ( -2.276 0.000 -20.084) 20.212 10.250 ( 1.298 0.000 -14.427) 14.485 10.653 ( -2.095 0.000 2.389) 3.177 10.741 ( 0.400 0.000 -3.309) 3.334 10.848 ( -0.390 0.000 1.548) 1.596 10.917 ( 0.018 0.000 -1.972) 1.972 11.103 ( -0.172 0.000 4.851) 4.854 11.490 ( -0.254 0.000 -10.298) 10.301 11.879 ( -0.326 0.000 11.201) 11.206 12.211 ( 3.532 0.000 -5.933) 6.905 12.744 ( -1.948 0.000 10.459) 10.639 12.908 ( -1.049 0.000 4.923) 5.034 13.064 ( 2.710 0.000 -6.720) 7.246 13.117 ( 1.594 0.000 -3.954) 4.263 13.299 ( -1.201 0.000 2.271) 2.569 13.315 ( -4.491 0.000 2.061) 4.942 13.642 ( -0.636 0.000 0.562) 0.849 13.651 ( 0.444 0.000 0.159) 0.472 14.668 ( -1.055 0.000 0.031) 1.055 14.741 ( 1.104 0.000 -4.078) 4.225 14.801 ( 1.338 0.000 -1.364) 1.911 14.856 ( -0.892 0.000 -2.811) 2.949 15.065 ( -0.019 0.000 0.529) 0.529 15.113 ( -0.753 0.000 -0.741) 1.056 15.300 ( -0.046 0.000 1.429) 1.429 15.380 ( 0.506 0.000 -1.809) 1.878 15.506 ( -0.668 0.000 0.675) 0.950 15.514 ( -0.549 0.000 2.373) 2.435 15.697 ( 1.766 0.000 2.848) 3.351 15.747 ( -1.193 0.000 -1.631) 2.021 15.765 ( -2.306 0.000 2.200) 3.188 15.836 ( 2.841 0.000 -1.551) 3.237 16.135 ( -0.752 0.000 -0.241) 0.790 16.199 ( 0.687 0.000 -3.990) 4.049 17.410 ( 1.424 0.000 4.550) 4.768 17.477 ( -1.066 0.000 2.580) 2.791 17.621 ( 0.607 0.000 2.421) 2.496 17.689 ( -2.441 0.000 1.037) 2.652 17.785 ( -0.868 0.000 3.357) 3.468 17.803 ( 1.126 0.000 1.546) 1.913 18.016 ( -0.540 0.000 1.583) 1.672 18.032 ( 0.412 0.000 1.380) 1.440 26.507 ( -0.188 0.000 2.509) 2.516 26.545 ( 2.243 0.000 0.523) 2.303 26.597 ( 1.682 0.000 -2.176) 2.750 26.674 ( -2.351 0.000 -2.058) 3.125 26.803 ( -0.594 0.000 1.265) 1.397 26.803 ( -1.412 0.000 0.225) 1.429 26.888 ( -2.286 0.000 3.119) 3.867 26.951 ( 3.437 0.000 -2.607) 4.314 27.192 ( -0.379 0.000 3.992) 4.010 27.307 ( 1.098 0.000 -3.804) 3.960 27.486 ( 0.916 0.000 3.732) 3.842 27.587 ( 0.539 0.000 2.163) 2.229 27.664 ( 1.019 0.000 4.021) 4.148 27.817 ( -0.884 0.000 1.168) 1.465 27.898 ( 0.447 0.000 -4.656) 4.677 27.960 ( -0.407 0.000 -2.675) 2.706 28.075 ( -1.537 0.000 5.305) 5.523 28.121 ( 1.861 0.000 1.108) 2.166 28.578 ( 4.480 0.000 1.482) 4.718 28.615 ( 5.691 0.000 0.959) 5.771 28.755 ( -4.579 0.000 3.262) 5.622 28.922 ( -3.349 0.000 10.865) 11.369 29.048 ( 5.740 0.000 -2.053) 6.096 29.280 ( -7.936 0.000 -16.138) 17.984 30.630 ( -3.423 0.000 4.301) 5.497 30.763 ( -1.669 0.000 3.711) 4.069 30.815 ( 4.958 0.000 -6.959) 8.545 31.072 ( -5.398 0.000 -7.965) 9.622 31.621 ( 1.320 0.000 3.520) 3.760 31.629 ( 9.966 0.000 -2.650) 10.312 31.924 ( -1.808 0.000 6.305) 6.559 32.136 ( -6.383 0.000 -1.316) 6.518 ======================= Grid point 78 (43/63) ======================= q-point: (-0.40 0.00 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -7.113 0.000 7.129) 10.071 0.797 ( -3.391 0.000 7.696) 8.410 0.885 ( 3.757 0.000 0.831) 3.848 1.005 ( -1.287 0.000 4.160) 4.355 1.114 ( 3.506 0.000 2.177) 4.127 1.152 ( 2.300 0.000 3.299) 4.022 1.162 ( -3.272 0.000 0.999) 3.421 1.217 ( 1.058 0.000 -2.612) 2.818 1.255 ( -2.840 0.000 2.554) 3.819 1.362 ( 1.004 0.000 1.265) 1.615 1.382 ( 1.086 0.000 -0.854) 1.382 1.451 ( -1.343 0.000 -0.090) 1.346 1.499 ( 1.442 0.000 1.693) 2.223 1.530 ( 2.128 0.000 -1.128) 2.409 1.543 ( -0.313 0.000 -4.637) 4.648 1.608 ( 2.291 0.000 0.619) 2.373 1.683 ( 1.854 0.000 4.867) 5.208 1.715 ( -0.818 0.000 -1.738) 1.921 1.789 ( 3.880 0.000 2.432) 4.579 1.811 ( -1.795 0.000 4.860) 5.181 1.912 ( 0.643 0.000 1.986) 2.088 1.961 ( -2.500 0.000 0.234) 2.511 1.969 ( -3.466 0.000 5.986) 6.917 2.033 ( 0.020 0.000 2.078) 2.078 2.124 ( 3.184 0.000 -5.942) 6.741 2.146 ( -3.575 0.000 -2.683) 4.470 2.174 ( -1.890 0.000 1.864) 2.655 2.371 ( -4.244 0.000 -6.216) 7.527 2.429 ( -1.843 0.000 2.867) 3.408 2.495 ( -0.867 0.000 0.131) 0.877 2.619 ( -1.317 0.000 4.361) 4.555 2.871 ( -1.845 0.000 -0.585) 1.935 2.890 ( -3.965 0.000 10.163) 10.909 2.957 ( -2.275 0.000 4.446) 4.994 2.975 ( 6.513 0.000 -4.432) 7.878 3.076 ( -4.075 0.000 8.956) 9.839 3.216 ( -0.015 0.000 4.473) 4.473 3.259 ( -1.388 0.000 -0.927) 1.669 3.296 ( 0.525 0.000 12.798) 12.809 3.386 ( -1.341 0.000 1.478) 1.996 3.410 ( -2.634 0.000 5.277) 5.898 3.489 ( -3.520 0.000 15.075) 15.481 3.494 ( -0.915 0.000 8.657) 8.705 3.630 ( 4.002 0.000 -1.415) 4.245 3.673 ( -0.878 0.000 -3.226) 3.343 3.752 ( 1.027 0.000 1.879) 2.141 3.850 ( -3.975 0.000 -5.330) 6.649 3.858 ( -0.228 0.000 2.272) 2.284 3.931 ( -1.658 0.000 -1.729) 2.396 4.033 ( -0.009 0.000 -2.009) 2.009 4.148 ( -5.861 0.000 5.394) 7.965 4.247 ( 1.852 0.000 6.696) 6.947 4.336 ( -4.734 0.000 3.954) 6.168 4.536 ( 7.992 0.000 -7.981) 11.295 4.601 ( -1.485 0.000 0.006) 1.485 4.652 ( 1.913 0.000 -2.356) 3.035 4.686 ( -4.169 0.000 0.337) 4.183 4.761 ( 1.936 0.000 -9.560) 9.754 4.769 ( -0.452 0.000 0.301) 0.544 4.932 ( 0.955 0.000 -5.427) 5.510 5.068 ( -0.942 0.000 -0.854) 1.272 5.207 ( -1.033 0.000 -4.982) 5.088 5.432 ( -1.499 0.000 8.274) 8.408 5.506 ( 2.377 0.000 1.560) 2.843 5.567 ( 2.101 0.000 11.232) 11.426 5.752 ( 4.724 0.000 3.371) 5.803 5.983 ( -2.164 0.000 4.072) 4.611 6.119 ( -3.550 0.000 -2.067) 4.108 6.741 ( 0.906 0.000 1.172) 1.482 6.756 ( 2.560 0.000 -0.504) 2.609 7.479 ( -7.759 0.000 6.570) 10.168 7.678 ( -0.179 0.000 -1.720) 1.730 7.692 ( 3.625 0.000 0.960) 3.749 7.768 ( 2.359 0.000 -2.030) 3.112 8.059 ( 1.283 0.000 1.500) 1.974 8.158 ( 0.150 0.000 -3.140) 3.144 9.032 ( -1.100 0.000 2.271) 2.523 9.213 ( 1.629 0.000 -6.348) 6.553 9.756 ( 4.231 0.000 -8.358) 9.368 9.825 ( -0.881 0.000 -16.649) 16.672 9.935 ( 8.518 0.000 -11.524) 14.330 10.086 ( -2.447 0.000 -26.253) 26.367 10.213 ( 0.612 0.000 -16.671) 16.682 10.234 ( 6.167 0.000 -11.187) 12.774 10.625 ( -0.886 0.000 -0.002) 0.886 10.774 ( 3.423 0.000 -2.566) 4.278 10.843 ( -0.415 0.000 1.009) 1.091 10.915 ( 0.454 0.000 -1.796) 1.853 11.135 ( 1.000 0.000 6.217) 6.297 11.463 ( 1.391 0.000 -11.007) 11.095 11.887 ( -2.649 0.000 10.451) 10.782 12.236 ( 0.718 0.000 -6.411) 6.451 12.705 ( -4.498 0.000 10.290) 11.230 12.917 ( -0.212 0.000 5.437) 5.441 13.090 ( 2.126 0.000 -5.229) 5.644 13.113 ( -1.510 0.000 -5.660) 5.858 13.285 ( 1.767 0.000 2.389) 2.972 13.337 ( 3.795 0.000 1.893) 4.241 13.619 ( -1.797 0.000 1.162) 2.140 13.649 ( -0.752 0.000 0.488) 0.897 14.655 ( -0.184 0.000 0.070) 0.197 14.757 ( 1.889 0.000 -4.135) 4.546 14.805 ( -0.439 0.000 -1.186) 1.265 14.818 ( -1.665 0.000 -1.726) 2.398 15.089 ( 2.061 0.000 -0.457) 2.111 15.116 ( 1.307 0.000 -1.059) 1.682 15.299 ( -0.551 0.000 1.681) 1.769 15.373 ( -0.598 0.000 -1.592) 1.700 15.514 ( 1.299 0.000 0.334) 1.341 15.522 ( 0.478 0.000 2.377) 2.424 15.697 ( -3.143 0.000 4.874) 5.799 15.717 ( -1.063 0.000 -2.079) 2.335 15.756 ( 1.161 0.000 -0.055) 1.162 15.870 ( 0.855 0.000 -1.031) 1.340 16.110 ( -1.466 0.000 0.366) 1.511 16.195 ( 0.210 0.000 -3.460) 3.466 17.446 ( 0.486 0.000 2.290) 2.341 17.486 ( 0.953 0.000 2.105) 2.311 17.644 ( 0.907 0.000 2.625) 2.777 17.660 ( -0.588 0.000 1.690) 1.789 17.763 ( -2.344 0.000 2.700) 3.576 17.821 ( 0.022 0.000 2.179) 2.179 17.996 ( -1.801 0.000 2.196) 2.840 18.034 ( -0.781 0.000 1.475) 1.669 26.503 ( -1.015 0.000 2.323) 2.535 26.614 ( 0.094 0.000 -1.996) 1.998 26.616 ( 4.296 0.000 0.271) 4.304 26.627 ( -0.725 0.000 -3.501) 3.575 26.783 ( -2.863 0.000 2.529) 3.820 26.801 ( 1.264 0.000 0.330) 1.306 26.847 ( -1.309 0.000 1.236) 1.800 27.002 ( 2.112 0.000 -1.771) 2.756 27.200 ( -0.290 0.000 3.527) 3.539 27.305 ( -0.146 0.000 -2.815) 2.819 27.489 ( -2.101 0.000 4.512) 4.978 27.578 ( -1.392 0.000 1.246) 1.868 27.699 ( 0.285 0.000 4.565) 4.574 27.825 ( 2.201 0.000 1.057) 2.442 27.906 ( 0.058 0.000 -3.498) 3.498 27.950 ( 0.848 0.000 -8.634) 8.676 28.074 ( -1.287 0.000 5.598) 5.744 28.116 ( -1.077 0.000 3.433) 3.598 28.605 ( -5.432 0.000 -1.650) 5.677 28.646 ( 0.156 0.000 0.325) 0.360 28.770 ( 2.653 0.000 10.478) 10.809 28.890 ( -2.210 0.000 6.513) 6.878 28.992 ( -8.784 0.000 -9.127) 12.667 29.229 ( 7.639 0.000 -4.730) 8.985 30.592 ( -1.169 0.000 4.090) 4.254 30.778 ( 1.544 0.000 4.778) 5.021 30.853 ( -0.769 0.000 -6.114) 6.162 31.026 ( 5.178 0.000 -8.864) 10.266 31.545 ( -7.409 0.000 1.881) 7.644 31.785 ( 2.941 0.000 -4.843) 5.666 31.996 ( 4.366 0.000 6.461) 7.798 32.057 ( 2.174 0.000 -0.955) 2.375 ======================= Grid point 79 (44/63) ======================= q-point: (-0.20 0.00 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 9.164 0.000 16.417) 18.801 0.795 ( -0.321 0.000 14.106) 14.110 0.972 ( 3.365 0.000 1.424) 3.654 1.035 ( 2.379 0.000 2.814) 3.685 1.084 ( -3.178 0.000 0.856) 3.292 1.154 ( -1.357 0.000 2.678) 3.002 1.225 ( 2.363 0.000 4.689) 5.251 1.242 ( 3.174 0.000 0.046) 3.175 1.285 ( 3.979 0.000 -0.735) 4.046 1.358 ( -0.710 0.000 0.916) 1.159 1.390 ( -3.975 0.000 -0.913) 4.079 1.441 ( 3.887 0.000 1.477) 4.158 1.467 ( -1.939 0.000 -0.274) 1.958 1.570 ( 0.935 0.000 -4.848) 4.937 1.575 ( 0.163 0.000 -1.173) 1.184 1.653 ( 2.055 0.000 3.754) 4.279 1.690 ( 0.248 0.000 1.950) 1.966 1.697 ( -0.285 0.000 0.028) 0.287 1.836 ( 2.279 0.000 3.752) 4.390 1.850 ( -6.040 0.000 3.995) 7.242 1.934 ( -1.106 0.000 8.414) 8.487 1.937 ( 1.813 0.000 1.764) 2.529 1.960 ( 7.387 0.000 -5.799) 9.391 2.034 ( -2.913 0.000 -1.183) 3.144 2.064 ( -2.941 0.000 -1.187) 3.171 2.097 ( -1.601 0.000 -0.986) 1.880 2.186 ( 2.634 0.000 -2.193) 3.428 2.279 ( -2.303 0.000 -4.422) 4.986 2.396 ( -2.361 0.000 3.765) 4.444 2.488 ( 0.303 0.000 1.538) 1.567 2.596 ( -1.766 0.000 1.007) 2.033 2.808 ( -3.754 0.000 -3.444) 5.094 2.813 ( -5.087 0.000 7.684) 9.216 2.937 ( -1.220 0.000 4.213) 4.386 3.001 ( -2.554 0.000 -2.396) 3.502 3.066 ( -1.804 0.000 11.094) 11.240 3.184 ( -2.140 0.000 0.159) 2.146 3.252 ( 0.435 0.000 2.020) 2.066 3.322 ( -5.751 0.000 6.924) 9.001 3.347 ( 0.491 0.000 9.204) 9.217 3.379 ( -1.270 0.000 3.318) 3.553 3.488 ( -4.126 0.000 10.907) 11.661 3.495 ( -0.397 0.000 14.621) 14.626 3.599 ( -3.630 0.000 -1.005) 3.767 3.641 ( -5.717 0.000 0.475) 5.737 3.730 ( 2.152 0.000 -5.996) 6.370 3.826 ( -4.698 0.000 0.205) 4.703 3.848 ( 3.432 0.000 -4.372) 5.558 3.936 ( 2.395 0.000 5.372) 5.881 4.081 ( -1.417 0.000 3.908) 4.157 4.085 ( 3.228 0.000 -3.425) 4.706 4.296 ( 0.737 0.000 8.770) 8.801 4.335 ( 3.935 0.000 5.954) 7.137 4.544 ( -5.968 0.000 0.726) 6.012 4.562 ( -2.374 0.000 -0.164) 2.379 4.576 ( -0.300 0.000 -3.887) 3.899 4.657 ( -0.600 0.000 -5.036) 5.072 4.722 ( -3.899 0.000 -9.819) 10.565 4.834 ( 5.281 0.000 -4.961) 7.246 4.933 ( 1.361 0.000 -4.690) 4.883 5.023 ( -3.393 0.000 2.304) 4.101 5.142 ( -3.086 0.000 -1.432) 3.402 5.474 ( 3.454 0.000 7.706) 8.445 5.594 ( 4.625 0.000 3.150) 5.596 5.639 ( -1.470 0.000 9.438) 9.552 5.892 ( 6.326 0.000 2.192) 6.695 5.937 ( -2.367 0.000 3.906) 4.568 6.016 ( -4.758 0.000 -4.011) 6.223 6.749 ( -0.530 0.000 0.409) 0.669 6.775 ( -0.680 0.000 -1.820) 1.943 7.393 ( -2.493 0.000 7.140) 7.563 7.636 ( -2.378 0.000 -2.662) 3.569 7.759 ( 2.432 0.000 0.407) 2.465 7.809 ( 1.336 0.000 -0.928) 1.627 8.093 ( 1.200 0.000 0.852) 1.471 8.155 ( 0.549 0.000 -2.269) 2.335 9.024 ( -0.406 0.000 2.915) 2.943 9.227 ( 1.646 0.000 -5.691) 5.924 9.759 ( 0.254 0.000 -16.960) 16.962 9.812 ( 2.556 0.000 -5.679) 6.227 9.961 ( 0.838 0.000 -28.731) 28.743 10.066 ( 7.898 0.000 -12.103) 14.451 10.162 ( 0.021 0.000 -16.418) 16.418 10.323 ( 5.964 0.000 -12.641) 13.978 10.621 ( 0.678 0.000 0.265) 0.728 10.834 ( 2.633 0.000 -2.892) 3.911 10.840 ( -0.302 0.000 1.432) 1.463 10.922 ( 0.701 0.000 -1.451) 1.612 11.171 ( -0.036 0.000 6.931) 6.932 11.477 ( 3.779 0.000 -11.432) 12.041 11.849 ( -3.989 0.000 9.264) 10.086 12.197 ( -1.880 0.000 -6.970) 7.219 12.663 ( -2.794 0.000 10.825) 11.180 12.930 ( -0.334 0.000 5.331) 5.341 13.052 ( -1.680 0.000 -5.243) 5.506 13.114 ( 1.687 0.000 -4.393) 4.705 13.363 ( 3.885 0.000 2.361) 4.547 13.430 ( 3.483 0.000 2.158) 4.098 13.586 ( -1.338 0.000 0.869) 1.595 13.628 ( -1.202 0.000 0.085) 1.205 14.663 ( 1.024 0.000 0.071) 1.027 14.781 ( -1.351 0.000 -0.887) 1.617 14.782 ( -0.935 0.000 -2.599) 2.762 14.789 ( 2.358 0.000 -3.735) 4.417 15.131 ( 1.759 0.000 -0.598) 1.858 15.149 ( 1.950 0.000 -1.254) 2.318 15.289 ( -0.923 0.000 1.727) 1.958 15.352 ( -0.714 0.000 -1.358) 1.534 15.543 ( 0.424 0.000 3.392) 3.419 15.556 ( 2.450 0.000 0.444) 2.489 15.643 ( -3.442 0.000 3.604) 4.984 15.694 ( 0.007 0.000 -3.148) 3.148 15.770 ( 0.261 0.000 0.082) 0.274 15.863 ( -1.170 0.000 -0.864) 1.454 16.095 ( 0.041 0.000 1.080) 1.080 16.188 ( 0.300 0.000 -3.208) 3.222 17.441 ( -1.768 0.000 3.383) 3.817 17.521 ( 1.596 0.000 1.812) 2.415 17.665 ( -0.367 0.000 1.093) 1.153 17.665 ( -0.295 0.000 1.080) 1.120 17.721 ( -1.503 0.000 4.336) 4.589 17.825 ( -0.285 0.000 2.689) 2.704 17.972 ( -1.045 0.000 2.565) 2.770 18.014 ( -1.440 0.000 1.525) 2.098 26.491 ( -0.767 0.000 2.129) 2.263 26.595 ( -0.647 0.000 -1.993) 2.096 26.628 ( 1.803 0.000 -3.216) 3.687 26.683 ( -3.050 0.000 2.126) 3.718 26.718 ( 1.178 0.000 0.998) 1.544 26.836 ( 1.393 0.000 -0.405) 1.451 26.855 ( 0.972 0.000 1.513) 1.798 27.015 ( -0.603 0.000 -1.375) 1.501 27.200 ( -0.563 0.000 1.743) 1.832 27.288 ( -0.224 0.000 -3.333) 3.340 27.457 ( -1.822 0.000 3.819) 4.231 27.573 ( 1.079 0.000 -0.669) 1.270 27.686 ( -2.636 0.000 4.048) 4.831 27.826 ( -5.027 0.000 -7.091) 8.692 27.920 ( -0.642 0.000 -2.794) 2.867 27.923 ( 5.712 0.000 3.823) 6.874 28.028 ( -4.820 0.000 2.901) 5.625 28.185 ( 5.791 0.000 2.822) 6.442 28.498 ( -3.914 0.000 -0.899) 4.016 28.504 ( -11.824 0.000 -3.477) 12.325 28.827 ( -0.589 0.000 10.424) 10.440 28.892 ( 0.158 0.000 -0.783) 0.799 28.898 ( 0.590 0.000 6.577) 6.603 29.381 ( 8.296 0.000 -7.248) 11.016 30.617 ( 1.995 0.000 3.662) 4.170 30.796 ( -2.318 0.000 -1.920) 3.010 30.841 ( 2.025 0.000 6.950) 7.239 31.145 ( 8.196 0.000 -11.060) 13.766 31.404 ( -5.627 0.000 0.334) 5.637 31.698 ( -6.537 0.000 -7.143) 9.683 32.083 ( 1.299 0.000 7.092) 7.210 32.200 ( 8.601 0.000 -3.116) 9.148 ======================= Grid point 80 (45/63) ======================= q-point: ( 0.00 0.25 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 9.171 -1.782 11.655) 14.937 0.816 ( -2.471 -2.381 10.712) 11.248 0.971 ( -1.377 -6.176 0.508) 6.348 0.984 ( -0.309 -4.534 0.618) 4.587 1.099 ( -2.031 2.385 4.908) 5.822 1.147 ( -2.989 -4.533 3.486) 6.453 1.172 ( 4.660 -0.616 1.373) 4.897 1.220 ( -1.048 -5.037 3.304) 6.114 1.280 ( 0.327 -3.433 2.040) 4.006 1.337 ( -0.726 -1.937 2.737) 3.431 1.364 ( 0.569 0.369 -1.331) 1.494 1.392 ( -3.794 -0.472 -0.711) 3.889 1.466 ( -1.649 -3.081 0.992) 3.633 1.478 ( -0.255 -2.118 -2.800) 3.520 1.530 ( 0.273 -1.981 -3.892) 4.376 1.580 ( 0.729 -5.683 -2.228) 6.147 1.673 ( 0.512 1.949 4.273) 4.724 1.738 ( -0.532 -0.405 2.745) 2.825 1.791 ( -1.251 -2.199 1.925) 3.179 1.827 ( -0.347 1.812 2.982) 3.507 1.914 ( 0.169 -1.439 0.024) 1.449 1.951 ( 0.785 -0.532 3.414) 3.543 2.012 ( 1.506 -0.684 -0.645) 1.775 2.084 ( -0.216 3.838 1.227) 4.036 2.133 ( 2.634 1.543 0.795) 3.155 2.151 ( 0.293 -3.040 1.992) 3.647 2.233 ( 5.085 5.314 -3.780) 8.270 2.262 ( -1.151 2.030 -3.712) 4.384 2.463 ( 0.720 7.945 1.872) 8.194 2.597 ( 2.733 7.086 1.924) 7.835 2.729 ( -1.259 4.212 1.863) 4.775 2.764 ( 3.008 3.468 3.041) 5.507 2.798 ( -3.787 2.174 -1.186) 4.525 2.920 ( -2.294 2.814 0.722) 3.701 2.979 ( -3.385 0.265 3.265) 4.710 3.059 ( -5.200 -2.510 1.488) 5.963 3.075 ( -2.041 1.851 10.803) 11.149 3.211 ( -2.458 -1.044 4.523) 5.253 3.317 ( -1.489 -0.738 8.576) 8.736 3.367 ( 1.953 -1.899 6.800) 7.325 3.397 ( 1.071 -3.861 6.331) 7.492 3.400 ( 2.487 2.907 0.677) 3.886 3.434 ( 0.966 -4.446 2.634) 5.257 3.559 ( -1.963 -0.870 7.416) 7.720 3.674 ( 0.142 5.839 -5.285) 7.877 3.687 ( 0.435 -2.835 -2.028) 3.512 3.809 ( -0.186 1.406 -0.044) 1.419 3.842 ( 2.192 -2.461 -1.286) 3.537 3.947 ( -2.547 -0.703 9.229) 9.600 4.107 ( -3.541 1.114 4.354) 5.722 4.141 ( 2.652 -0.674 -0.990) 2.910 4.279 ( 0.992 -5.940 1.202) 6.141 4.360 ( -4.806 -4.789 6.252) 9.226 4.425 ( -1.749 -2.307 3.500) 4.542 4.448 ( 4.249 -1.406 -0.568) 4.511 4.558 ( -0.944 -1.665 -6.455) 6.733 4.650 ( -2.695 3.950 -3.289) 5.803 4.719 ( 2.653 2.108 -4.898) 5.956 4.914 ( 1.790 -1.355 -4.527) 5.053 4.921 ( 2.276 0.319 -5.644) 6.094 5.016 ( -3.960 4.596 3.606) 7.057 5.137 ( -1.664 4.169 -1.524) 4.741 5.457 ( -5.304 -6.223 9.365) 12.433 5.542 ( 6.288 -7.056 3.587) 10.109 5.673 ( -3.943 0.152 4.244) 5.795 5.803 ( 4.065 -4.937 -0.051) 6.395 5.926 ( -4.842 -0.844 4.058) 6.374 5.962 ( 1.698 -3.029 2.074) 4.045 6.817 ( 2.449 7.254 1.681) 7.839 6.852 ( -2.982 7.036 -0.134) 7.644 7.477 ( 1.420 5.445 5.447) 7.832 7.660 ( -1.167 4.210 -3.539) 5.622 7.812 ( -1.343 1.929 0.697) 2.452 7.823 ( 0.755 2.049 -0.450) 2.230 8.009 ( -1.821 -6.489 1.681) 6.946 8.115 ( 1.208 -5.167 -2.835) 6.016 9.128 ( -0.366 8.321 2.827) 8.795 9.304 ( 1.588 5.490 -5.895) 8.211 9.674 ( -0.035 -4.958 -10.147) 11.293 9.723 ( 0.132 -4.406 -12.567) 13.317 9.974 ( 5.394 0.610 -20.419) 21.128 10.083 ( 0.709 -1.613 -18.753) 18.835 10.171 ( 5.989 0.715 -15.350) 16.492 10.312 ( 3.517 -3.896 -18.071) 18.817 10.667 ( 0.698 0.950 2.321) 2.603 10.760 ( -1.444 -3.633 -0.102) 3.911 10.869 ( -0.550 0.772 -1.127) 1.472 10.921 ( 0.116 -0.760 -2.033) 2.173 11.253 ( -1.300 5.869 4.658) 7.605 11.465 ( 1.885 -4.198 -3.961) 6.071 11.908 ( 0.064 7.056 4.666) 8.459 12.132 ( -0.318 -1.345 -5.049) 5.234 12.714 ( -1.148 3.993 8.784) 9.717 12.907 ( -0.806 -2.674 4.718) 5.482 13.016 ( 0.161 -0.074 -4.617) 4.621 13.100 ( 0.713 -2.220 -3.796) 4.455 13.422 ( 0.202 -0.194 3.303) 3.315 13.432 ( -2.925 -0.686 3.094) 4.312 13.606 ( 1.573 0.597 -0.643) 1.802 13.618 ( 0.800 0.272 -0.922) 1.250 14.704 ( 1.057 1.060 -0.436) 1.559 14.739 ( -0.665 -0.580 -1.492) 1.733 14.769 ( -0.291 0.469 -2.861) 2.913 14.810 ( 2.272 -1.512 -3.874) 4.739 15.134 ( -0.945 -0.038 0.796) 1.236 15.162 ( -0.182 -0.700 -0.212) 0.754 15.301 ( 0.125 1.437 -0.049) 1.443 15.341 ( 0.545 -0.339 -1.617) 1.740 15.529 ( -1.133 -0.439 3.361) 3.574 15.573 ( -0.790 -1.449 2.251) 2.791 15.647 ( -0.415 3.548 1.103) 3.738 15.738 ( 2.331 1.756 -3.013) 4.195 15.789 ( 0.405 0.791 0.799) 1.195 15.832 ( -1.504 1.116 -1.480) 2.387 16.012 ( 1.418 -7.873 0.484) 8.015 16.081 ( 0.671 -8.055 -3.468) 8.795 17.445 ( -1.749 2.767 6.405) 7.193 17.569 ( -0.814 -2.299 4.680) 5.278 17.612 ( 0.462 2.999 0.564) 3.086 17.680 ( -3.334 0.458 1.585) 3.720 17.766 ( 2.726 1.698 3.772) 4.954 17.834 ( -2.629 0.911 1.057) 2.977 17.976 ( 1.525 -0.007 2.554) 2.975 18.009 ( -0.148 0.334 0.890) 0.962 26.513 ( 0.238 1.909 2.131) 2.871 26.580 ( -2.593 0.428 0.268) 2.642 26.597 ( -2.210 0.630 -0.398) 2.332 26.652 ( 3.071 -2.225 -0.989) 3.919 26.787 ( 1.574 0.764 0.549) 1.834 26.829 ( -0.307 -0.756 -1.230) 1.476 26.883 ( 0.626 0.126 1.623) 1.744 26.939 ( -2.347 -2.193 -0.927) 3.343 27.206 ( -0.127 1.098 0.063) 1.107 27.273 ( 0.764 -0.974 -4.006) 4.193 27.476 ( -1.660 2.564 2.755) 4.114 27.572 ( -2.038 -0.754 -0.871) 2.342 27.653 ( -0.244 1.004 2.382) 2.597 27.746 ( 3.606 -2.279 -0.625) 4.312 27.934 ( -2.999 1.414 -0.100) 3.317 27.945 ( 1.012 0.984 -0.021) 1.411 28.076 ( 2.450 1.996 4.349) 5.376 28.218 ( -5.425 -2.887 -2.915) 6.802 28.332 ( 1.656 0.986 4.387) 4.791 28.430 ( -0.007 -1.683 -1.214) 2.075 28.834 ( -1.947 -0.031 6.546) 6.830 28.874 ( -0.368 -1.487 13.176) 13.264 29.059 ( 2.127 8.204 -3.915) 9.336 29.408 ( 4.484 -6.199 -11.300) 13.647 30.670 ( 1.294 0.658 3.535) 3.821 30.745 ( -2.453 -1.346 1.168) 3.032 30.942 ( -0.618 5.141 2.248) 5.645 31.168 ( 2.520 -5.217 -6.465) 8.681 31.449 ( 3.586 4.988 -2.974) 6.825 31.543 ( -4.776 0.859 -6.532) 8.137 32.098 ( -2.909 1.179 5.775) 6.573 32.251 ( 1.253 -4.305 -2.385) 5.079 ======================= Grid point 81 (46/63) ======================= q-point: ( 0.20 0.25 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -7.137 -7.516 6.482) 12.225 0.858 ( -4.953 -7.333 0.992) 8.905 0.940 ( 4.128 -4.568 2.013) 6.478 0.984 ( 1.500 -4.135 0.945) 4.499 1.051 ( -4.175 3.232 5.799) 7.842 1.106 ( -2.162 -0.263 5.437) 5.856 1.215 ( -1.324 -2.099 3.921) 4.641 1.251 ( 0.049 -1.369 3.584) 3.837 1.287 ( 2.331 -0.640 -1.574) 2.884 1.317 ( -0.805 0.466 0.823) 1.242 1.354 ( 0.196 -0.584 0.246) 0.663 1.377 ( -0.769 -0.763 1.739) 2.049 1.409 ( -3.573 -0.188 0.244) 3.586 1.470 ( -0.838 -2.527 -1.685) 3.151 1.538 ( 1.466 -3.645 -3.927) 5.554 1.579 ( 0.619 -4.159 0.026) 4.205 1.666 ( -2.220 0.153 1.804) 2.865 1.745 ( 0.024 0.344 3.606) 3.623 1.775 ( 0.770 -1.586 1.673) 2.430 1.839 ( -1.262 -2.184 0.986) 2.709 1.904 ( -0.028 0.655 0.842) 1.067 1.962 ( -1.415 -0.870 -0.647) 1.782 2.041 ( -2.025 4.462 -1.007) 5.003 2.057 ( 1.728 0.120 1.368) 2.207 2.113 ( -2.195 -0.988 3.297) 4.083 2.164 ( -1.413 0.528 -0.038) 1.509 2.243 ( 0.994 3.503 -3.762) 5.236 2.366 ( 6.159 0.208 -4.456) 7.605 2.473 ( 0.344 7.030 4.347) 8.273 2.635 ( -0.967 4.070 -3.730) 5.605 2.742 ( 2.196 6.157 0.229) 6.541 2.773 ( 0.560 2.974 4.743) 5.626 2.825 ( 0.835 -0.078 7.109) 7.158 2.906 ( 1.773 1.681 -3.186) 4.015 2.961 ( -0.185 -0.673 8.379) 8.408 3.003 ( -0.952 -3.199 4.409) 5.530 3.116 ( 2.825 1.592 9.777) 10.301 3.188 ( 0.157 0.874 -0.973) 1.317 3.274 ( -5.498 -1.160 11.698) 12.977 3.379 ( -1.715 -0.469 6.550) 6.787 3.456 ( 3.918 -1.078 0.448) 4.088 3.480 ( 0.602 -4.468 6.657) 8.040 3.500 ( 0.840 1.291 5.846) 6.045 3.533 ( -0.430 1.092 4.797) 4.939 3.645 ( -0.109 0.192 -9.671) 9.674 3.774 ( 3.966 -0.380 -5.137) 6.501 3.827 ( 1.972 -2.930 -1.730) 3.932 3.903 ( 5.818 3.593 1.238) 6.950 3.933 ( 1.947 -1.887 2.753) 3.864 4.060 ( -3.345 2.890 7.507) 8.712 4.141 ( -3.369 -2.517 6.861) 8.047 4.299 ( -3.179 -3.236 2.197) 5.040 4.320 ( 1.253 -5.069 1.330) 5.388 4.402 ( -0.897 -5.041 1.519) 5.341 4.495 ( 2.923 1.717 -7.853) 8.554 4.548 ( 2.810 0.886 -0.140) 2.949 4.636 ( 1.194 2.978 -1.428) 3.512 4.799 ( 3.427 -3.332 -4.307) 6.434 4.870 ( -1.027 5.494 -0.602) 5.621 4.942 ( -1.371 0.865 1.068) 1.941 5.017 ( 4.179 -0.647 -3.426) 5.442 5.102 ( -1.321 1.504 -1.430) 2.460 5.428 ( 0.080 -1.573 6.281) 6.476 5.565 ( -6.118 0.949 3.513) 7.118 5.708 ( 7.549 -8.101 2.608) 11.376 5.800 ( -7.679 -2.214 5.626) 9.773 5.862 ( -0.891 1.270 3.879) 4.177 6.020 ( 2.880 -4.830 0.843) 5.686 6.738 ( -6.310 6.457 -0.149) 9.029 6.839 ( -1.414 5.951 1.246) 6.242 7.541 ( 2.672 3.753 4.785) 6.643 7.646 ( 1.185 3.979 -3.421) 5.380 7.754 ( -4.386 1.279 1.210) 4.726 7.831 ( -0.208 2.956 -0.176) 2.968 7.968 ( -2.160 -7.133 2.268) 7.791 8.122 ( 0.399 -5.004 -2.785) 5.740 9.133 ( -0.098 7.625 2.463) 8.013 9.309 ( 0.975 6.458 -6.492) 9.209 9.653 ( 1.248 -5.465 -8.536) 10.212 9.714 ( 3.502 -2.871 -12.193) 13.007 9.978 ( 0.811 -0.055 -19.254) 19.271 10.074 ( 5.411 -0.756 -18.076) 18.883 10.217 ( 3.500 -1.279 -15.668) 16.105 10.284 ( 0.596 -2.863 -21.289) 21.489 10.669 ( -1.352 0.108 2.694) 3.016 10.752 ( 0.714 -1.946 0.800) 2.222 10.855 ( -0.591 0.778 -0.038) 0.978 10.915 ( 0.082 -0.938 -2.079) 2.282 11.229 ( -2.088 7.578 3.318) 8.532 11.492 ( 1.661 -3.635 -4.294) 5.866 11.892 ( -2.533 5.193 4.887) 7.567 12.127 ( 1.179 -2.674 -4.489) 5.357 12.732 ( -0.389 2.037 9.281) 9.510 12.894 ( -1.926 -2.917 4.739) 5.888 13.028 ( 2.660 0.386 -5.343) 5.981 13.100 ( 0.630 -1.385 -3.430) 3.753 13.365 ( -3.808 0.597 2.471) 4.579 13.404 ( -2.775 0.010 3.139) 4.190 13.632 ( 1.185 0.288 -0.360) 1.271 13.643 ( 1.125 0.228 -0.566) 1.280 14.698 ( -0.873 0.670 -0.432) 1.182 14.737 ( 0.307 -0.447 -2.666) 2.721 14.773 ( 1.754 0.671 -2.292) 2.963 14.841 ( 1.890 -1.714 -4.136) 4.859 15.098 ( -2.512 0.600 1.626) 3.051 15.138 ( -1.789 -0.594 0.094) 1.888 15.308 ( 0.431 1.228 -0.108) 1.306 15.354 ( 1.094 -0.827 -1.814) 2.274 15.516 ( -0.666 0.518 2.527) 2.665 15.568 ( -1.227 0.550 2.841) 3.143 15.649 ( 0.954 1.560 0.993) 2.081 15.770 ( -1.789 -0.518 -0.122) 1.867 15.787 ( 2.393 1.169 -1.345) 2.984 15.820 ( 0.377 2.239 -1.204) 2.570 16.032 ( 0.299 -8.054 0.004) 8.059 16.087 ( 1.149 -8.022 -4.007) 9.041 17.448 ( -0.103 4.284 6.751) 7.996 17.538 ( -2.896 1.830 2.400) 4.183 17.599 ( -1.325 -0.807 1.051) 1.874 17.682 ( 1.146 -2.280 4.541) 5.208 17.783 ( -2.079 2.408 0.576) 3.233 17.833 ( 2.269 2.110 3.351) 4.564 18.008 ( 0.463 -0.246 1.297) 1.399 18.022 ( 1.257 0.734 0.609) 1.578 26.522 ( -0.764 1.129 2.177) 2.569 26.537 ( -0.079 1.281 0.767) 1.495 26.587 ( 0.728 1.004 -1.450) 1.908 26.694 ( 0.082 -2.207 0.180) 2.216 26.792 ( -0.554 -0.744 0.505) 1.057 26.814 ( -0.993 -1.224 -1.046) 1.892 26.898 ( 0.304 0.087 1.372) 1.408 26.915 ( 0.813 -0.015 -0.373) 0.894 27.200 ( -0.667 0.856 1.252) 1.657 27.276 ( 0.929 -1.597 -3.647) 4.088 27.460 ( -0.570 0.847 2.282) 2.500 27.533 ( -0.955 -1.806 0.706) 2.161 27.684 ( 2.062 3.332 2.628) 4.718 27.816 ( 1.081 -1.996 0.690) 2.372 27.906 ( 1.843 2.995 -2.349) 4.229 28.016 ( 4.122 -0.991 0.362) 4.255 28.059 ( -5.519 1.177 1.622) 5.872 28.111 ( -1.707 0.368 2.779) 3.282 28.438 ( 5.355 -1.670 2.484) 6.135 28.480 ( 4.903 -1.295 -0.516) 5.097 28.804 ( -3.036 0.109 6.341) 7.031 28.899 ( -1.826 -2.689 12.904) 13.307 29.082 ( 1.979 8.200 -5.782) 10.226 29.397 ( -1.313 -4.827 -14.957) 15.771 30.667 ( -2.677 -0.531 3.019) 4.070 30.693 ( -2.548 -2.585 1.134) 3.803 30.934 ( 0.512 7.006 -0.395) 7.036 31.199 ( 0.437 -3.296 -6.792) 7.562 31.469 ( 1.258 1.937 -2.515) 3.415 31.542 ( 5.519 1.729 -1.444) 5.961 32.025 ( -5.683 1.858 5.886) 8.390 32.209 ( -4.211 -4.404 -1.019) 6.177 ======================= Grid point 82 (47/63) ======================= q-point: ( 0.40 0.25 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -8.968 -3.309 2.539) 9.890 0.770 ( 0.436 -7.301 1.336) 7.435 0.914 ( -3.429 -1.220 0.323) 3.654 1.014 ( -1.059 1.695 3.015) 3.617 1.064 ( -2.888 0.999 1.697) 3.495 1.107 ( 2.448 0.603 4.659) 5.298 1.183 ( -2.553 -5.207 5.973) 8.325 1.227 ( -0.561 0.026 -1.236) 1.358 1.274 ( -1.210 -0.168 1.004) 1.582 1.327 ( -0.779 0.276 1.711) 1.900 1.375 ( 0.891 -0.201 -0.759) 1.187 1.383 ( 0.717 0.274 -0.754) 1.076 1.399 ( 3.152 -2.021 0.959) 3.865 1.465 ( 1.804 -3.110 1.475) 3.886 1.538 ( 0.255 -2.364 -1.870) 3.025 1.593 ( -1.514 -0.218 1.446) 2.105 1.645 ( 0.758 -1.573 0.246) 1.764 1.732 ( -3.771 2.805 1.119) 4.831 1.786 ( -0.560 -2.266 2.303) 3.279 1.815 ( 1.941 -2.589 -1.904) 3.754 1.893 ( -0.795 -3.853 0.065) 3.935 1.934 ( -2.163 0.282 1.681) 2.753 2.010 ( -0.289 2.424 -0.268) 2.456 2.065 ( -3.358 -0.949 6.719) 7.571 2.087 ( -1.718 -4.470 0.313) 4.799 2.115 ( -1.654 2.101 -1.207) 2.934 2.250 ( 0.606 1.831 -3.661) 4.138 2.397 ( -0.684 -1.728 -2.541) 3.148 2.528 ( 1.811 7.113 3.354) 8.070 2.605 ( -0.680 6.038 -1.621) 6.289 2.711 ( -3.241 5.660 6.290) 9.061 2.822 ( -1.447 -3.144 8.133) 8.839 2.877 ( 3.151 -0.877 2.651) 4.210 2.948 ( 3.376 2.938 -5.141) 6.816 3.017 ( 2.273 -1.764 5.390) 6.109 3.041 ( 2.650 -1.152 4.656) 5.480 3.174 ( -0.401 0.708 5.396) 5.457 3.202 ( -3.391 -1.295 5.911) 6.937 3.264 ( 4.447 0.058 8.282) 9.401 3.348 ( -3.248 -0.824 5.379) 6.337 3.456 ( -3.455 -3.250 9.287) 10.428 3.491 ( -2.910 0.215 7.670) 8.206 3.521 ( -0.936 0.908 -0.737) 1.498 3.570 ( 2.025 1.866 1.072) 2.954 3.620 ( 1.128 -1.187 -4.614) 4.895 3.775 ( -1.251 0.871 1.988) 2.505 3.860 ( 2.694 -0.150 -1.683) 3.180 3.915 ( -1.274 -3.899 -2.638) 4.877 4.033 ( -1.837 5.027 8.028) 9.648 4.065 ( -0.373 0.675 2.424) 2.544 4.190 ( 5.781 -0.953 -1.972) 6.181 4.227 ( -2.357 -0.493 1.755) 2.980 4.337 ( 3.195 -0.999 1.287) 3.586 4.394 ( -0.032 -2.763 -2.486) 3.717 4.586 ( 6.195 -0.423 -5.343) 8.191 4.625 ( 3.021 1.653 0.501) 3.480 4.651 ( -0.020 1.162 0.158) 1.173 4.716 ( -4.774 -4.574 -4.327) 7.902 4.917 ( 0.155 3.517 0.943) 3.644 4.927 ( 0.420 2.843 -1.511) 3.246 5.082 ( 0.292 0.114 -1.237) 1.276 5.133 ( 8.040 -1.452 -4.302) 9.234 5.468 ( -0.120 0.999 5.603) 5.692 5.482 ( -2.588 0.913 3.691) 4.599 5.668 ( -5.694 3.086 7.395) 9.830 5.757 ( -4.320 1.719 3.011) 5.539 5.896 ( 3.219 -4.459 4.699) 7.234 6.056 ( 0.372 -7.272 -0.091) 7.282 6.661 ( -0.220 0.443 0.868) 0.999 6.780 ( -3.766 0.694 -0.688) 3.891 7.593 ( -2.025 1.211 5.195) 5.706 7.642 ( -0.346 -0.887 -0.318) 1.004 7.710 ( 2.300 5.618 -0.353) 6.081 7.812 ( -1.199 4.376 -1.107) 4.671 7.957 ( 0.193 -6.185 2.732) 6.764 8.113 ( -0.151 -5.156 -3.504) 6.236 9.139 ( -0.001 7.679 1.130) 7.762 9.300 ( 0.608 6.150 -7.794) 9.947 9.673 ( 3.119 -3.425 -6.665) 8.117 9.769 ( 4.425 -4.120 -6.210) 8.667 9.923 ( 1.588 2.406 -21.848) 22.038 10.127 ( 4.079 -3.922 -14.218) 15.302 10.194 ( 0.339 -0.612 -23.188) 23.199 10.220 ( 1.702 -1.497 -19.791) 19.921 10.660 ( -0.446 1.665 3.229) 3.660 10.768 ( 0.516 -0.191 0.087) 0.557 10.847 ( -0.138 0.901 0.378) 0.987 10.912 ( 0.327 -0.631 -2.177) 2.290 11.206 ( -0.962 8.072 3.566) 8.876 11.491 ( 0.213 -1.268 -6.551) 6.676 11.871 ( -1.451 0.794 6.902) 7.097 12.133 ( 1.009 -6.655 -4.864) 8.305 12.747 ( -1.601 0.960 9.535) 9.716 12.877 ( -1.053 -2.761 5.157) 5.943 13.069 ( 2.421 0.488 -5.885) 6.383 13.108 ( 1.535 -0.836 -4.099) 4.456 13.319 ( -1.161 1.962 2.365) 3.285 13.352 ( -2.505 2.028 2.463) 4.056 13.643 ( -0.398 0.104 0.554) 0.690 13.652 ( -0.034 -0.062 0.144) 0.161 14.681 ( -0.594 1.161 -0.583) 1.428 14.736 ( 0.745 -0.569 -3.256) 3.389 14.800 ( 1.230 0.259 -2.064) 2.416 14.850 ( 0.143 -0.820 -3.526) 3.623 15.066 ( -0.698 0.438 1.564) 1.768 15.108 ( -0.866 -0.572 0.072) 1.040 15.313 ( 0.090 1.031 0.047) 1.036 15.365 ( 0.528 -1.147 -2.035) 2.395 15.526 ( 0.811 1.766 1.874) 2.700 15.543 ( -1.638 2.177 2.168) 3.482 15.689 ( 1.702 -0.179 2.363) 2.918 15.732 ( -1.520 -0.382 -0.460) 1.634 15.786 ( -1.694 0.850 0.824) 2.066 15.851 ( 2.465 1.332 -2.499) 3.754 16.024 ( -1.073 -8.296 0.227) 8.368 16.096 ( 0.939 -7.651 -4.039) 8.703 17.477 ( 0.463 4.522 4.515) 6.407 17.497 ( -1.456 1.827 2.271) 3.258 17.586 ( -0.275 -2.220 2.051) 3.035 17.693 ( -1.346 -4.219 1.649) 4.725 17.779 ( 0.914 5.217 4.193) 6.755 17.874 ( 0.567 3.794 2.065) 4.357 18.017 ( 0.109 -1.027 0.938) 1.395 18.034 ( -0.561 0.494 0.686) 1.015 26.526 ( 0.321 1.536 2.079) 2.605 26.557 ( 1.642 0.922 0.727) 2.019 26.606 ( 1.528 0.728 -1.825) 2.489 26.663 ( -2.035 -0.926 -1.442) 2.660 26.779 ( -1.199 -1.502 0.754) 2.065 26.786 ( -0.781 -1.506 0.295) 1.722 26.901 ( -1.216 1.109 2.278) 2.810 26.950 ( 2.388 -0.341 -1.408) 2.793 27.197 ( -0.205 0.730 2.794) 2.895 27.285 ( 0.776 -2.042 -2.393) 3.240 27.470 ( 0.467 -0.294 2.659) 2.716 27.549 ( 2.141 -2.461 0.617) 3.320 27.723 ( -0.449 3.560 4.589) 5.825 27.814 ( -1.048 -0.504 1.868) 2.200 27.923 ( 0.470 2.155 -4.992) 5.458 27.979 ( -0.498 1.075 -4.294) 4.455 28.080 ( -0.446 0.299 5.368) 5.394 28.111 ( 0.831 -0.875 2.591) 2.858 28.552 ( 4.780 -1.766 2.104) 5.513 28.593 ( 4.973 -1.954 0.747) 5.396 28.759 ( -3.300 1.248 6.832) 7.689 28.884 ( -3.436 -3.056 10.197) 11.186 29.107 ( 2.295 4.333 -5.496) 7.365 29.262 ( -6.090 -1.800 -14.279) 15.627 30.613 ( -3.010 -1.000 2.773) 4.213 30.661 ( -0.120 -3.997 -0.323) 4.011 30.973 ( 3.689 8.630 -3.405) 9.984 31.127 ( -3.649 3.439 -6.621) 8.305 31.562 ( 4.927 -2.534 1.416) 5.719 31.633 ( 3.443 -1.748 -1.267) 4.064 31.954 ( -1.486 2.616 5.210) 6.016 32.103 ( -5.142 -2.841 -0.170) 5.877 ======================= Grid point 83 (48/63) ======================= q-point: (-0.40 0.25 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.476 4.880 5.902) 8.871 0.839 ( 2.245 -1.656 -2.771) 3.932 0.859 ( -1.891 -1.616 10.512) 10.802 0.968 ( -2.826 1.014 3.437) 4.563 1.056 ( 2.400 -4.823 -1.683) 5.643 1.138 ( 1.424 -0.354 6.051) 6.227 1.154 ( -1.444 0.352 -0.141) 1.493 1.225 ( -1.894 -3.058 1.313) 3.829 1.278 ( 1.067 -1.372 0.323) 1.768 1.324 ( -0.262 0.287 1.454) 1.505 1.381 ( 0.316 0.669 1.111) 1.335 1.411 ( -1.066 -1.995 -0.303) 2.282 1.435 ( 2.581 -0.165 -1.953) 3.241 1.526 ( 0.469 -0.467 0.834) 1.065 1.552 ( 3.395 -1.228 -4.745) 5.962 1.577 ( 1.263 -2.486 1.618) 3.224 1.657 ( 0.006 3.683 1.507) 3.980 1.695 ( 0.531 -4.913 2.942) 5.751 1.796 ( -0.850 0.244 4.265) 4.356 1.845 ( -2.041 -5.231 -1.336) 5.771 1.886 ( 0.294 -6.653 -1.081) 6.747 1.893 ( 2.123 2.426 -0.277) 3.235 1.970 ( -3.892 -0.920 5.226) 6.581 2.031 ( -1.833 -1.293 5.727) 6.150 2.043 ( -1.004 0.838 -0.484) 1.394 2.106 ( 0.335 -1.307 1.035) 1.701 2.236 ( -1.049 1.762 -1.741) 2.690 2.363 ( -1.603 -1.366 -2.829) 3.527 2.506 ( -3.450 7.334 2.172) 8.391 2.617 ( 0.192 8.833 0.209) 8.838 2.675 ( -1.749 3.450 6.578) 7.631 2.801 ( -2.937 -2.119 7.122) 7.990 2.917 ( -0.157 -1.987 1.864) 2.728 2.991 ( 1.164 5.909 -2.459) 6.505 3.063 ( 0.535 0.122 2.530) 2.588 3.120 ( 3.412 -5.409 1.701) 6.617 3.157 ( -2.122 2.910 8.220) 8.974 3.199 ( 0.539 -0.611 1.960) 2.123 3.297 ( -3.287 -1.388 6.943) 7.806 3.350 ( 0.071 -4.272 10.550) 11.382 3.379 ( -5.869 0.522 4.276) 7.280 3.453 ( -3.600 -2.161 6.936) 8.108 3.488 ( -0.122 -0.242 3.309) 3.320 3.620 ( -1.457 -3.409 -0.161) 3.711 3.632 ( 2.170 -0.106 2.672) 3.444 3.735 ( -3.668 -2.319 5.868) 7.298 3.873 ( 1.835 -0.995 -7.374) 7.663 3.905 ( -0.186 3.784 -3.278) 5.010 3.977 ( -6.566 5.327 1.454) 8.579 4.077 ( 2.296 5.379 3.763) 6.955 4.185 ( -2.243 2.267 6.594) 7.325 4.238 ( 2.424 0.890 -0.752) 2.690 4.361 ( -3.511 -0.480 2.220) 4.181 4.477 ( 4.832 -4.458 -3.330) 7.370 4.534 ( -4.398 -6.685 -2.365) 8.344 4.574 ( -4.070 -4.139 -2.684) 6.395 4.712 ( 3.311 1.736 -4.960) 6.211 4.746 ( 5.046 1.869 -2.843) 6.086 4.877 ( -3.642 2.638 -1.349) 4.695 4.929 ( 0.675 1.977 -2.909) 3.581 5.103 ( 1.578 3.105 -1.666) 3.861 5.230 ( 1.079 0.856 -4.251) 4.469 5.427 ( -3.589 -0.133 8.740) 9.449 5.516 ( 3.538 -1.161 3.617) 5.191 5.575 ( -4.561 2.910 8.301) 9.908 5.783 ( 4.060 1.872 3.560) 5.715 5.905 ( -3.046 -5.405 4.020) 7.393 6.045 ( -1.436 -5.971 -0.688) 6.180 6.719 ( -0.871 -1.821 -1.676) 2.623 6.732 ( 5.587 -1.655 1.596) 6.042 7.509 ( -4.849 3.477 5.628) 8.202 7.692 ( 2.407 -1.538 0.251) 2.868 7.772 ( 2.936 2.983 0.456) 4.210 7.785 ( -0.485 6.530 -2.470) 6.998 7.985 ( 1.347 -5.329 2.623) 6.090 8.098 ( 0.216 -5.400 -4.097) 6.782 9.138 ( -0.366 8.549 0.719) 8.587 9.288 ( 1.013 5.139 -7.897) 9.476 9.719 ( 2.771 -3.023 -3.900) 5.659 9.790 ( -0.385 -3.508 -9.604) 10.232 9.946 ( 7.507 1.512 -16.424) 18.121 10.063 ( -1.383 -2.379 -23.826) 23.984 10.190 ( 1.847 -1.043 -20.018) 20.130 10.203 ( 5.733 -1.713 -16.646) 17.689 10.660 ( -0.698 2.730 2.298) 3.636 10.779 ( 0.598 -1.157 -0.289) 1.334 10.856 ( 1.070 1.894 -0.481) 2.228 10.914 ( 0.651 -0.209 -2.138) 2.245 11.217 ( 0.408 6.725 4.941) 8.354 11.468 ( 0.199 -0.784 -7.393) 7.437 11.868 ( -1.323 0.060 7.003) 7.127 12.143 ( 1.626 -7.561 -4.839) 9.123 12.737 ( -2.339 2.552 9.198) 9.828 12.885 ( -0.239 -2.838 5.404) 6.109 13.083 ( 1.260 -0.374 -4.900) 5.073 13.103 ( -1.069 -0.835 -5.340) 5.510 13.326 ( 1.062 3.093 2.320) 4.010 13.365 ( 2.969 1.832 1.875) 3.960 13.622 ( -1.710 0.265 1.117) 2.060 13.644 ( -0.903 -0.477 0.662) 1.217 14.673 ( 0.046 1.518 -0.671) 1.660 14.745 ( 1.259 -1.091 -3.237) 3.641 14.804 ( -0.078 0.207 -2.143) 2.155 14.825 ( -1.356 0.214 -2.371) 2.739 15.083 ( 1.684 -0.187 0.642) 1.812 15.111 ( 1.225 -0.552 -0.245) 1.366 15.313 ( -0.212 1.057 0.164) 1.090 15.361 ( -0.254 -0.937 -1.892) 2.126 15.526 ( -0.675 1.673 1.883) 2.608 15.557 ( 1.465 2.067 1.831) 3.126 15.681 ( -2.339 0.048 2.257) 3.251 15.741 ( 0.539 0.857 0.309) 1.058 15.755 ( -0.296 0.085 -0.534) 0.617 15.878 ( 0.763 0.574 -1.695) 1.945 15.997 ( -1.465 -8.337 0.703) 8.494 16.095 ( 0.255 -7.423 -3.561) 8.237 17.477 ( -0.947 2.078 2.377) 3.297 17.503 ( 0.647 1.013 2.771) 3.021 17.615 ( 1.843 -1.165 4.471) 4.974 17.662 ( -1.705 -1.959 -0.123) 2.600 17.814 ( 0.235 5.017 4.598) 6.809 17.867 ( -1.367 4.060 1.022) 4.404 18.004 ( -2.430 -0.067 1.099) 2.668 18.019 ( -0.390 -1.452 1.659) 2.239 26.524 ( -1.096 1.749 1.984) 2.863 26.598 ( 0.359 -1.047 -0.422) 1.184 26.627 ( 0.819 0.938 -1.957) 2.319 26.642 ( 2.344 0.790 -1.824) 3.074 26.761 ( -1.631 -1.394 1.708) 2.742 26.782 ( 0.716 -1.598 0.441) 1.806 26.874 ( -1.363 2.140 1.248) 2.828 26.984 ( 1.073 -1.772 -0.709) 2.189 27.205 ( -0.041 0.698 2.125) 2.237 27.283 ( -0.224 -1.910 -1.819) 2.647 27.486 ( 0.208 0.864 2.549) 2.699 27.596 ( 1.089 -0.552 0.023) 1.221 27.696 ( -2.416 0.813 4.856) 5.485 27.792 ( -1.585 -2.187 0.747) 2.802 27.934 ( 1.676 2.073 -3.699) 4.560 27.971 ( 1.316 1.209 -6.939) 7.166 28.082 ( -1.548 0.732 5.408) 5.672 28.113 ( -0.681 -0.310 4.309) 4.373 28.586 ( -3.913 -1.201 -0.101) 4.094 28.627 ( -1.662 -1.906 -0.874) 2.676 28.773 ( 1.578 0.423 10.043) 10.175 28.842 ( -2.808 -2.514 6.845) 7.814 29.057 ( -4.231 4.030 -6.977) 9.101 29.198 ( 4.688 -2.382 -5.061) 7.299 30.585 ( -0.210 0.032 1.964) 1.976 30.690 ( 2.671 -4.610 0.380) 5.341 31.001 ( -1.934 9.049 -3.690) 9.962 31.090 ( 4.304 4.392 -6.606) 9.025 31.532 ( -5.809 -0.494 1.533) 6.028 31.717 ( 2.262 -5.786 -3.719) 7.241 32.013 ( 4.013 1.275 4.728) 6.332 32.056 ( 2.320 -0.286 -0.335) 2.361 ======================= Grid point 84 (49/63) ======================= q-point: (-0.20 0.25 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 6.231 3.360 10.781) 12.898 0.813 ( -2.087 1.465 9.469) 9.807 0.929 ( 3.403 -8.365 3.673) 9.749 0.969 ( 1.233 -0.816 2.319) 2.750 1.095 ( -0.706 -0.478 3.482) 3.585 1.124 ( 0.756 -2.144 1.136) 2.541 1.192 ( -1.767 -3.677 1.717) 4.426 1.221 ( 2.440 -1.466 2.877) 4.047 1.273 ( -1.668 -3.486 0.318) 3.878 1.323 ( 0.519 -0.444 1.869) 1.990 1.362 ( -0.197 -3.086 -4.037) 5.085 1.407 ( 0.841 0.036 1.758) 1.949 1.493 ( 2.186 2.193 -0.309) 3.112 1.515 ( -0.416 -0.728 -4.790) 4.863 1.574 ( -4.737 -4.221 1.889) 6.620 1.597 ( -1.666 -6.181 -2.302) 6.803 1.636 ( 1.583 1.519 0.952) 2.391 1.741 ( 2.449 -2.828 3.995) 5.473 1.757 ( -2.260 0.485 2.440) 3.361 1.826 ( 1.692 0.563 1.751) 2.499 1.915 ( -0.780 -2.317 1.298) 2.768 1.925 ( 0.333 -3.115 3.349) 4.586 2.003 ( 2.232 0.909 2.275) 3.314 2.012 ( 2.875 2.615 2.951) 4.880 2.056 ( 1.858 0.755 0.243) 2.020 2.130 ( 1.241 -2.384 1.675) 3.167 2.206 ( -0.874 3.500 -0.534) 3.647 2.316 ( -1.640 0.203 -5.374) 5.622 2.453 ( -1.765 7.969 2.502) 8.537 2.592 ( -1.909 7.700 2.754) 8.397 2.697 ( 1.790 5.270 2.572) 6.131 2.760 ( -2.874 -0.455 5.095) 5.867 2.889 ( -2.923 -1.096 -1.209) 3.348 2.971 ( -2.494 6.901 0.951) 7.399 3.043 ( -2.870 0.412 2.034) 3.541 3.110 ( -4.815 2.155 10.686) 11.917 3.156 ( -1.643 -2.119 -4.185) 4.971 3.240 ( -1.261 -2.606 8.913) 9.371 3.265 ( 0.446 -1.492 7.347) 7.511 3.328 ( 0.751 0.217 -1.173) 1.409 3.362 ( -1.350 -3.020 10.040) 10.571 3.397 ( -3.512 -1.940 9.446) 10.263 3.484 ( -3.836 -4.249 1.511) 5.920 3.556 ( -1.340 -2.329 4.765) 5.470 3.674 ( 0.668 -1.646 3.126) 3.596 3.740 ( -0.893 -4.096 0.951) 4.299 3.788 ( -2.315 5.597 -2.041) 6.391 3.877 ( -3.467 3.191 -2.883) 5.524 3.939 ( 1.635 0.024 0.879) 1.857 4.105 ( 0.254 3.716 0.147) 3.727 4.162 ( -1.988 3.769 3.006) 5.214 4.290 ( -2.857 -3.817 3.124) 5.700 4.331 ( 5.197 1.287 2.770) 6.028 4.425 ( -3.511 -3.699 4.262) 6.647 4.475 ( -3.434 -6.267 -1.036) 7.220 4.568 ( 2.251 -3.204 -7.247) 8.237 4.717 ( -0.670 2.567 -4.339) 5.086 4.767 ( -5.362 1.202 -3.407) 6.466 4.833 ( 4.739 1.334 -4.839) 6.904 4.934 ( 0.698 -0.566 -4.575) 4.662 5.091 ( -3.078 6.049 0.495) 6.805 5.183 ( -2.560 3.829 -1.413) 4.818 5.431 ( 1.514 -3.083 7.035) 7.829 5.551 ( -3.886 -4.285 9.651) 11.252 5.619 ( 5.020 -1.076 3.148) 6.022 5.789 ( -2.005 -8.726 2.393) 9.268 5.922 ( 2.039 -0.359 1.270) 2.428 5.994 ( -3.075 -1.785 1.438) 3.835 6.744 ( 3.317 2.897 -0.264) 4.412 6.844 ( 3.587 2.193 1.217) 4.377 7.460 ( -1.758 5.987 5.637) 8.409 7.699 ( -1.190 1.139 -1.852) 2.478 7.794 ( 1.715 4.444 -1.583) 5.020 7.817 ( 1.068 1.974 0.743) 2.365 8.016 ( 0.535 -5.555 1.946) 5.910 8.099 ( 1.186 -5.441 -3.668) 6.669 9.131 ( -0.663 9.006 1.696) 9.189 9.291 ( 1.703 4.787 -6.729) 8.432 9.724 ( -1.091 -3.802 -9.509) 10.299 9.753 ( 0.976 -4.556 -7.657) 8.963 9.971 ( 2.089 1.057 -26.756) 26.858 10.061 ( 6.979 -1.424 -10.721) 12.872 10.153 ( 1.687 0.541 -22.091) 22.162 10.270 ( 5.880 -3.711 -15.569) 17.051 10.654 ( -0.157 2.464 0.902) 2.629 10.781 ( -0.523 -2.929 0.427) 3.005 10.875 ( 0.695 1.415 -1.616) 2.257 10.921 ( 0.574 -0.278 -1.899) 2.003 11.245 ( 0.204 5.514 5.625) 7.879 11.454 ( 0.808 -2.628 -5.973) 6.575 11.877 ( 0.400 3.776 5.271) 6.496 12.153 ( 0.498 -4.260 -4.468) 6.194 12.720 ( -2.217 4.464 8.682) 10.011 12.899 ( -0.224 -2.752 5.124) 5.820 13.049 ( -1.730 -0.099 -4.579) 4.896 13.093 ( 1.268 -1.739 -4.447) 4.940 13.377 ( 2.632 1.461 2.290) 3.783 13.435 ( 2.002 -0.033 2.318) 3.063 13.594 ( -0.849 0.697 0.622) 1.263 13.624 ( -0.939 -0.387 0.133) 1.025 14.681 ( 1.002 1.435 -0.676) 1.876 14.759 ( 0.445 -1.647 -2.352) 2.905 14.789 ( -0.616 0.270 -2.277) 2.374 14.792 ( -0.213 0.315 -2.796) 2.821 15.123 ( 1.633 -0.320 0.319) 1.695 15.145 ( 1.746 -0.611 -0.502) 1.917 15.306 ( -0.469 1.259 0.162) 1.353 15.346 ( -0.399 -0.458 -1.587) 1.700 15.528 ( -0.015 0.224 2.543) 2.553 15.585 ( -0.068 -0.064 2.025) 2.027 15.649 ( -0.978 2.276 1.791) 3.057 15.726 ( -0.119 1.738 -2.150) 2.767 15.773 ( 0.738 0.365 0.171) 0.841 15.869 ( -1.144 0.674 -1.298) 1.857 15.986 ( 0.394 -8.108 1.131) 8.196 16.085 ( 0.077 -7.673 -3.200) 8.314 17.463 ( -1.520 1.610 4.029) 4.597 17.538 ( 1.404 -0.055 4.280) 4.505 17.626 ( -1.410 -0.419 -0.824) 1.686 17.680 ( 2.534 -1.236 4.748) 5.522 17.778 ( -4.064 4.935 1.092) 6.486 17.863 ( -0.398 3.191 2.371) 3.996 17.962 ( -1.542 -1.014 2.371) 3.005 18.014 ( -0.647 -0.489 1.617) 1.810 26.510 ( -0.649 1.681 1.771) 2.526 26.596 ( 0.688 -0.963 -1.558) 1.956 26.621 ( -0.387 0.576 -1.525) 1.675 26.675 ( -2.761 -0.779 1.200) 3.110 26.739 ( 1.803 1.569 0.340) 2.414 26.815 ( 1.723 -1.596 -0.091) 2.351 26.869 ( 0.353 1.265 0.683) 1.480 26.982 ( -1.136 -2.776 -0.543) 3.048 27.207 ( -0.093 0.886 0.469) 1.007 27.273 ( 0.242 -1.233 -2.840) 3.106 27.494 ( -0.654 2.905 2.842) 4.116 27.589 ( -0.138 1.025 -1.283) 1.648 27.673 ( -2.193 -1.104 4.454) 5.086 27.747 ( -2.146 -4.264 -2.764) 5.516 27.942 ( -0.908 1.850 -2.756) 3.441 27.988 ( 3.575 2.847 -0.305) 4.580 28.033 ( -4.574 1.183 3.735) 6.022 28.172 ( 4.612 -1.444 2.655) 5.513 28.476 ( -9.718 -1.785 -2.330) 10.152 28.483 ( -5.205 -1.279 -0.120) 5.361 28.830 ( 0.405 -0.540 11.774) 11.793 28.838 ( -0.901 -0.312 7.083) 7.146 29.025 ( 1.868 6.813 -3.250) 7.776 29.311 ( 7.207 -5.620 -6.186) 11.036 30.617 ( 2.247 0.803 2.187) 3.237 30.750 ( 1.867 -3.840 1.710) 4.599 30.948 ( -1.436 7.816 -0.437) 7.959 31.155 ( 2.813 -0.231 -7.253) 7.782 31.435 ( -2.305 3.418 -1.151) 4.280 31.664 ( -4.251 -3.322 -6.115) 8.155 32.093 ( 1.546 0.846 5.135) 5.429 32.171 ( 6.753 -2.331 -1.895) 7.391 ======================= Grid point 85 (50/63) ======================= q-point: ( 0.00 -0.50 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 2.471 -7.489 4.589) 9.124 0.781 ( 2.471 7.489 4.589) 9.124 0.833 ( -3.790 -5.032 4.579) 7.788 0.833 ( -3.790 5.032 4.579) 7.788 1.099 ( 0.662 -1.511 3.076) 3.490 1.099 ( 0.662 1.511 3.076) 3.490 1.200 ( -1.227 -2.705 5.467) 6.222 1.200 ( -1.227 2.705 5.467) 6.222 1.242 ( 2.144 -5.279 1.010) 5.787 1.242 ( 2.144 5.279 1.010) 5.787 1.382 ( 0.726 -2.105 0.273) 2.243 1.382 ( 0.726 2.105 0.273) 2.243 1.447 ( -2.026 -1.234 -1.919) 3.051 1.447 ( -2.026 1.234 -1.919) 3.051 1.507 ( -0.173 -1.055 -4.245) 4.378 1.507 ( -0.173 1.055 -4.245) 4.378 1.744 ( -0.605 -1.256 3.418) 3.692 1.744 ( -0.605 1.256 3.418) 3.692 1.789 ( -2.750 -5.566 3.010) 6.900 1.789 ( -2.750 5.566 3.010) 6.900 1.909 ( 2.885 -2.026 0.341) 3.541 1.909 ( 2.885 2.026 0.341) 3.541 2.057 ( -0.593 -4.173 5.195) 6.690 2.057 ( -0.593 4.173 5.195) 6.690 2.139 ( 2.267 -0.988 0.284) 2.489 2.139 ( 2.267 0.988 0.284) 2.489 2.291 ( 2.558 -0.813 -5.400) 6.030 2.291 ( 2.558 0.813 -5.400) 6.030 2.675 ( 0.616 -8.714 3.282) 9.332 2.675 ( 0.616 8.714 3.282) 9.332 2.749 ( -1.516 -3.466 4.398) 5.801 2.749 ( -1.516 3.466 4.398) 5.801 2.882 ( -0.435 -7.175 1.328) 7.310 2.882 ( -0.435 7.175 1.328) 7.310 3.027 ( -4.506 -1.889 0.379) 4.900 3.027 ( -4.506 1.889 0.379) 4.900 3.196 ( -2.187 -6.432 12.947) 14.621 3.196 ( -2.187 6.432 12.947) 14.621 3.269 ( 0.253 -4.020 4.226) 5.839 3.269 ( 0.253 4.020 4.226) 5.839 3.354 ( 1.153 -2.120 -0.536) 2.472 3.354 ( 1.153 2.120 -0.536) 2.472 3.522 ( 1.442 -2.348 5.319) 5.991 3.522 ( 1.442 2.348 5.319) 5.991 3.665 ( 1.690 -4.936 -0.373) 5.230 3.665 ( 1.690 4.936 -0.373) 5.230 3.853 ( -1.150 -1.310 -2.697) 3.211 3.853 ( -1.150 1.310 -2.697) 3.211 3.983 ( -1.099 -6.353 2.628) 6.962 3.983 ( -1.099 6.353 2.628) 6.962 4.229 ( -3.272 -6.279 4.862) 8.589 4.229 ( -3.272 6.279 4.862) 8.589 4.302 ( -0.801 -5.189 1.134) 5.372 4.302 ( -0.801 5.189 1.134) 5.372 4.508 ( 2.219 -3.182 -2.324) 4.523 4.508 ( 2.219 3.182 -2.324) 4.523 4.705 ( -0.231 -1.779 -4.565) 4.904 4.705 ( -0.231 1.779 -4.565) 4.904 4.906 ( 1.471 -0.937 -4.572) 4.893 4.906 ( 1.471 0.937 -4.572) 4.893 5.149 ( -4.775 -4.990 1.840) 7.147 5.149 ( -4.775 4.990 1.840) 7.147 5.405 ( 1.259 -3.713 5.181) 6.497 5.405 ( 1.259 3.713 5.181) 6.497 5.711 ( 1.778 -3.447 1.922) 4.329 5.711 ( 1.778 3.447 1.922) 4.329 5.918 ( -1.777 -0.757 4.704) 5.085 5.918 ( -1.777 0.757 4.704) 5.085 6.928 ( 1.116 -1.197 1.124) 1.986 6.928 ( 1.116 1.197 1.124) 1.986 7.626 ( 0.386 -6.501 1.770) 6.748 7.626 ( 0.386 6.501 1.770) 6.748 7.873 ( -2.449 -3.774 1.427) 4.720 7.873 ( -2.449 3.774 1.427) 4.720 7.961 ( 1.014 -7.653 -2.878) 8.239 7.961 ( 1.014 7.653 -2.878) 8.239 9.331 ( 0.471 -7.038 -2.191) 7.386 9.331 ( 0.471 7.038 -2.191) 7.386 9.613 ( -0.074 -3.507 -8.260) 8.974 9.613 ( -0.074 3.507 -8.260) 8.974 10.017 ( 3.392 -3.142 -19.333) 19.878 10.017 ( 3.392 3.142 -19.333) 19.878 10.228 ( 4.474 -3.591 -19.853) 20.666 10.228 ( 4.474 3.591 -19.853) 20.666 10.698 ( -0.670 -2.038 1.027) 2.378 10.698 ( -0.670 2.038 1.027) 2.378 10.894 ( -0.312 -1.466 -1.887) 2.410 10.894 ( -0.312 1.466 -1.887) 2.410 11.368 ( 0.208 -4.682 1.997) 5.094 11.368 ( 0.208 4.682 1.997) 5.094 12.057 ( 0.466 -5.686 -0.411) 5.720 12.057 ( 0.466 5.686 -0.411) 5.720 12.822 ( -1.418 -5.056 5.699) 7.749 12.822 ( -1.418 5.056 5.699) 7.749 13.040 ( 0.632 -2.463 -3.755) 4.535 13.040 ( 0.632 2.463 -3.755) 4.535 13.421 ( -1.521 -0.215 3.107) 3.466 13.421 ( -1.521 0.215 3.107) 3.466 13.618 ( 1.215 -0.322 -0.908) 1.551 13.618 ( 1.215 0.322 -0.908) 1.551 14.727 ( 0.239 -0.775 -1.340) 1.566 14.727 ( 0.239 0.775 -1.340) 1.566 14.781 ( 0.714 -0.895 -3.155) 3.356 14.781 ( 0.714 0.895 -3.155) 3.356 15.143 ( -0.463 -0.809 0.943) 1.326 15.143 ( -0.463 0.809 0.943) 1.326 15.328 ( 0.344 -0.939 -1.522) 1.821 15.328 ( 0.344 0.939 -1.522) 1.821 15.541 ( -0.840 -1.294 2.781) 3.181 15.541 ( -0.840 1.294 2.781) 3.181 15.729 ( 0.352 -2.974 -0.912) 3.131 15.729 ( 0.352 2.974 -0.912) 3.131 15.839 ( 0.682 -4.038 0.256) 4.104 15.839 ( 0.682 4.038 0.256) 4.104 15.922 ( 0.372 -4.883 -2.441) 5.471 15.922 ( 0.372 4.883 -2.441) 5.471 17.505 ( -0.531 -2.901 5.425) 6.175 17.505 ( -0.531 2.901 5.425) 6.175 17.669 ( -0.808 -1.678 2.472) 3.095 17.669 ( -0.808 1.678 2.472) 3.095 17.822 ( -1.211 -2.398 1.666) 3.161 17.822 ( -1.211 2.398 1.666) 3.161 17.994 ( 0.850 -1.462 1.511) 2.268 17.994 ( 0.850 1.462 1.511) 2.268 26.564 ( -0.528 -2.264 1.655) 2.854 26.564 ( -0.528 2.264 1.655) 2.854 26.613 ( -0.339 -1.139 -0.865) 1.470 26.613 ( -0.339 1.139 -0.865) 1.470 26.807 ( 0.424 -1.085 -0.242) 1.190 26.807 ( 0.424 1.085 -0.242) 1.190 26.897 ( -0.429 -1.320 -0.146) 1.396 26.897 ( -0.429 1.320 -0.146) 1.396 27.240 ( 0.173 -1.806 -2.064) 2.748 27.240 ( 0.173 1.806 -2.064) 2.748 27.538 ( -2.709 -2.509 1.167) 3.873 27.538 ( -2.709 2.509 1.167) 3.873 27.690 ( 2.642 -2.422 0.984) 3.717 27.690 ( 2.642 2.422 0.984) 3.717 27.959 ( -0.436 -0.226 -0.244) 0.548 27.959 ( -0.436 0.226 -0.244) 0.548 28.137 ( -0.971 -3.767 1.377) 4.127 28.137 ( -0.971 3.767 1.377) 4.127 28.379 ( -0.150 -2.742 1.324) 3.049 28.379 ( -0.150 2.742 1.324) 3.049 28.846 ( -1.743 -1.051 10.831) 11.020 28.846 ( -1.743 1.051 10.831) 11.020 29.244 ( 3.932 -8.381 -8.470) 12.547 29.244 ( 3.932 8.381 -8.470) 12.547 30.704 ( -0.447 -2.161 2.656) 3.453 30.704 ( -0.447 2.161 2.656) 3.453 31.056 ( 0.123 -5.160 -2.964) 5.952 31.056 ( 0.123 5.160 -2.964) 5.952 31.534 ( 0.160 -2.244 -5.097) 5.571 31.534 ( 0.160 2.244 -5.097) 5.571 32.152 ( -1.005 -3.924 1.684) 4.386 32.152 ( -1.005 3.924 1.684) 4.386 ======================= Grid point 87 (51/63) ======================= q-point: ( 0.20 -0.50 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -7.107 -4.645 4.027) 9.397 0.680 ( -7.107 4.645 4.027) 9.397 0.891 ( 2.803 -1.840 0.442) 3.382 0.891 ( 2.803 1.840 0.442) 3.382 1.106 ( -1.401 -4.605 6.458) 8.054 1.106 ( -1.401 4.605 6.458) 8.054 1.220 ( 1.373 -3.231 4.058) 5.365 1.220 ( 1.373 3.231 4.058) 5.365 1.293 ( 1.532 -2.207 0.125) 2.689 1.293 ( 1.532 2.207 0.125) 2.689 1.371 ( -1.204 -1.022 0.592) 1.687 1.371 ( -1.204 1.022 0.592) 1.687 1.414 ( -1.057 -2.110 -1.105) 2.606 1.414 ( -1.057 2.110 -1.105) 2.606 1.501 ( 0.654 -0.217 -3.567) 3.633 1.501 ( 0.654 0.217 -3.567) 3.633 1.730 ( -1.947 -3.103 3.351) 4.965 1.730 ( -1.947 3.103 3.351) 4.965 1.762 ( 0.203 -3.058 1.462) 3.396 1.762 ( 0.203 3.058 1.462) 3.396 1.939 ( -0.557 -1.902 1.028) 2.233 1.939 ( -0.557 1.902 1.028) 2.233 2.060 ( -1.274 -2.506 4.264) 5.107 2.060 ( -1.274 2.506 4.264) 5.107 2.138 ( -1.704 -2.769 -1.671) 3.656 2.138 ( -1.704 2.769 -1.671) 3.656 2.327 ( 2.031 -3.503 -5.240) 6.622 2.327 ( 2.031 3.503 -5.240) 6.622 2.679 ( -0.880 -8.728 5.731) 10.479 2.679 ( -0.880 8.728 5.731) 10.479 2.757 ( 1.107 -5.151 0.517) 5.294 2.757 ( 1.107 5.151 0.517) 5.294 2.872 ( -1.840 -4.311 6.084) 7.680 2.872 ( -1.840 4.311 6.084) 7.680 2.990 ( 0.846 -2.609 -0.574) 2.802 2.990 ( 0.846 2.609 -0.574) 2.802 3.190 ( -2.040 -5.443 11.599) 12.974 3.190 ( -2.040 5.443 11.599) 12.974 3.282 ( 0.233 -5.223 2.482) 5.787 3.282 ( 0.233 5.223 2.482) 5.787 3.431 ( 3.698 -0.566 2.590) 4.551 3.431 ( 3.698 0.566 2.590) 4.551 3.535 ( -0.612 -1.766 3.569) 4.028 3.535 ( -0.612 1.766 3.569) 4.028 3.720 ( 3.900 -5.325 -3.484) 7.464 3.720 ( 3.900 5.325 -3.484) 7.464 3.819 ( -2.259 -4.692 1.080) 5.318 3.819 ( -2.259 4.692 1.080) 5.318 4.030 ( 3.285 -5.961 4.223) 8.010 4.030 ( 3.285 5.961 4.223) 8.010 4.197 ( -0.029 -5.618 2.382) 6.102 4.197 ( -0.029 5.618 2.382) 6.102 4.295 ( -0.391 -2.452 0.705) 2.581 4.295 ( -0.391 2.452 0.705) 2.581 4.551 ( 3.612 -1.687 -3.140) 5.075 4.551 ( 3.612 1.687 -3.140) 5.075 4.700 ( -0.085 -3.780 -3.878) 5.416 4.700 ( -0.085 3.780 -3.878) 5.416 4.933 ( 2.784 -1.855 -1.900) 3.847 4.933 ( 2.784 1.855 -1.900) 3.847 5.077 ( -2.830 -3.854 3.063) 5.678 5.077 ( -2.830 3.854 3.063) 5.678 5.476 ( 3.279 -5.841 2.166) 7.040 5.476 ( 3.279 5.841 2.166) 7.040 5.699 ( -2.271 -5.072 3.509) 6.572 5.699 ( -2.271 5.072 3.509) 6.572 5.924 ( 0.032 -3.786 4.361) 5.775 5.924 ( 0.032 3.786 4.361) 5.775 6.872 ( -6.181 -3.466 -0.730) 7.124 6.872 ( -6.181 3.466 -0.730) 7.124 7.634 ( -0.407 -3.763 1.523) 4.080 7.634 ( -0.407 3.763 1.523) 4.080 7.827 ( -1.968 -4.365 2.451) 5.379 7.827 ( -1.968 4.365 2.451) 5.379 7.967 ( 0.457 -8.154 -2.485) 8.537 7.967 ( 0.457 8.154 -2.485) 8.537 9.325 ( -0.106 -7.661 -2.534) 8.070 9.325 ( -0.106 7.661 -2.534) 8.070 9.615 ( 2.863 -4.593 -7.356) 9.132 9.615 ( 2.863 4.593 -7.356) 9.132 10.018 ( 3.080 -3.230 -18.325) 18.860 10.018 ( 3.080 3.230 -18.325) 18.860 10.229 ( 2.700 -1.954 -21.611) 21.867 10.229 ( 2.700 1.954 -21.611) 21.867 10.701 ( 0.340 -2.424 2.251) 3.325 10.701 ( 0.340 2.424 2.251) 3.326 10.884 ( -0.065 -1.719 -1.430) 2.236 10.884 ( -0.065 1.719 -1.430) 2.236 11.381 ( 0.410 -6.179 1.379) 6.345 11.381 ( 0.410 6.179 1.379) 6.345 12.028 ( -2.787 -6.193 -0.995) 6.864 12.028 ( -2.787 6.193 -0.995) 6.864 12.808 ( -1.728 -4.476 6.234) 7.866 12.808 ( -1.728 4.476 6.234) 7.866 13.058 ( 2.158 -2.092 -3.964) 4.975 13.058 ( 2.158 2.092 -3.964) 4.975 13.388 ( -2.364 -1.276 3.081) 4.087 13.388 ( -2.364 1.276 3.081) 4.087 13.641 ( 1.002 -0.373 -0.607) 1.229 13.641 ( 1.002 0.373 -0.607) 1.229 14.719 ( -0.250 -1.075 -1.426) 1.803 14.719 ( -0.250 1.075 -1.426) 1.803 14.800 ( 1.879 -1.740 -3.409) 4.264 14.800 ( 1.879 1.740 -3.409) 4.264 15.118 ( -2.039 -1.106 1.375) 2.696 15.118 ( -2.039 1.106 1.375) 2.696 15.334 ( 0.594 -1.077 -1.543) 1.973 15.334 ( 0.594 1.077 -1.543) 1.973 15.545 ( 0.223 -1.731 3.007) 3.477 15.545 ( 0.223 1.731 3.007) 3.477 15.726 ( -0.313 -3.809 -0.696) 3.885 15.726 ( -0.313 3.809 -0.696) 3.885 15.839 ( -0.447 -3.314 -0.452) 3.374 15.839 ( -0.447 3.314 -0.452) 3.374 15.935 ( 1.391 -4.015 -2.383) 4.872 15.935 ( 1.391 4.015 -2.383) 4.872 17.522 ( 0.351 -2.830 4.788) 5.573 17.522 ( 0.351 2.830 4.788) 5.573 17.627 ( -3.224 -2.909 2.296) 4.912 17.627 ( -3.224 2.909 2.296) 4.912 17.844 ( 1.808 -1.806 2.667) 3.693 17.844 ( 1.808 1.806 2.667) 3.693 18.016 ( 0.749 -0.953 0.526) 1.322 18.016 ( 0.749 0.953 0.526) 1.322 26.545 ( -0.550 -0.748 0.855) 1.263 26.545 ( -0.550 0.748 0.855) 1.263 26.633 ( 0.965 -3.027 0.269) 3.189 26.633 ( 0.965 3.027 0.269) 3.189 26.789 ( -1.555 -0.632 -0.399) 1.725 26.789 ( -1.555 0.632 -0.399) 1.725 26.907 ( 1.187 -0.587 0.315) 1.361 26.907 ( 1.187 0.587 0.315) 1.361 27.232 ( -0.223 -2.030 -0.992) 2.270 27.232 ( -0.223 2.030 -0.992) 2.270 27.493 ( -1.487 -1.910 0.837) 2.561 27.493 ( -1.487 1.910 0.837) 2.561 27.758 ( 2.600 -3.242 2.074) 4.645 27.758 ( 2.600 3.242 2.074) 4.645 27.976 ( 1.774 -2.872 -2.022) 3.935 27.976 ( 1.774 2.872 -2.022) 3.935 28.092 ( -2.663 -1.686 2.816) 4.227 28.092 ( -2.663 1.686 2.816) 4.227 28.441 ( 4.576 -1.755 1.607) 5.158 28.441 ( 4.576 1.755 1.607) 5.158 28.837 ( -2.654 -2.557 10.445) 11.076 28.837 ( -2.654 2.557 10.445) 11.076 29.259 ( 0.652 -7.553 -11.042) 13.394 29.259 ( 0.652 7.553 -11.042) 13.394 30.663 ( -3.523 -0.389 1.909) 4.026 30.663 ( -3.523 0.389 1.909) 4.026 31.086 ( 2.957 -6.595 -2.914) 7.793 31.086 ( 2.957 6.595 -2.914) 7.793 31.533 ( 1.441 -2.518 -3.286) 4.383 31.533 ( 1.441 2.518 -3.286) 4.383 32.099 ( -4.323 -4.872 2.547) 6.994 32.099 ( -4.323 4.872 2.547) 6.994 ======================= Grid point 89 (52/63) ======================= q-point: ( 0.40 -0.50 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -2.263 -5.675 6.214) 8.714 0.595 ( -2.263 5.675 6.214) 8.714 0.935 ( 2.220 -4.416 -4.197) 6.484 0.935 ( 2.220 4.416 -4.197) 6.484 1.101 ( -1.564 -2.904 9.613) 10.163 1.101 ( -1.564 2.904 9.613) 10.163 1.212 ( -3.435 -3.716 -3.396) 6.094 1.212 ( -3.435 3.716 -3.396) 6.094 1.297 ( -0.778 -3.410 2.207) 4.136 1.297 ( -0.778 3.410 2.207) 4.136 1.376 ( 2.000 -0.702 2.146) 3.016 1.376 ( 2.000 0.702 2.146) 3.016 1.440 ( 3.525 -2.829 1.029) 4.635 1.440 ( 3.525 2.829 1.029) 4.635 1.495 ( -0.293 -2.033 -0.262) 2.070 1.495 ( -0.293 2.033 -0.262) 2.070 1.689 ( -1.854 -4.890 -1.361) 5.404 1.689 ( -1.854 4.890 -1.361) 5.404 1.798 ( 1.486 -1.012 0.144) 1.803 1.798 ( 1.486 1.012 0.144) 1.803 1.878 ( -4.735 -4.841 0.584) 6.796 1.878 ( -4.735 4.841 0.584) 6.796 2.034 ( -3.103 -1.005 5.896) 6.738 2.034 ( -3.103 1.005 5.896) 6.738 2.090 ( -1.241 -3.085 -2.134) 3.951 2.090 ( -1.241 3.085 -2.134) 3.951 2.325 ( -0.644 -4.374 -2.173) 4.927 2.325 ( -0.644 4.374 -2.173) 4.927 2.700 ( 0.134 -6.683 6.942) 9.637 2.700 ( 0.134 6.683 6.942) 9.637 2.786 ( 0.670 -9.168 1.757) 9.359 2.786 ( 0.670 9.168 1.757) 9.359 2.846 ( -1.725 -6.322 4.679) 8.052 2.846 ( -1.725 6.322 4.679) 8.052 3.036 ( 3.661 -2.979 -3.468) 5.857 3.036 ( 3.661 2.979 -3.468) 5.857 3.206 ( -0.411 -0.702 10.816) 10.847 3.206 ( -0.411 0.702 10.816) 10.847 3.287 ( -0.802 -3.618 2.752) 4.616 3.287 ( -0.802 3.618 2.752) 4.616 3.442 ( -3.520 -1.963 8.695) 9.584 3.442 ( -3.520 1.963 8.695) 9.584 3.566 ( 1.810 -1.648 -0.302) 2.467 3.566 ( 1.810 1.648 -0.302) 2.467 3.725 ( -4.147 -8.157 -1.212) 9.230 3.725 ( -4.147 8.157 -1.212) 9.230 3.827 ( 4.056 -1.687 -0.527) 4.424 3.827 ( 4.056 1.687 -0.527) 4.424 4.108 ( 2.514 -1.342 10.100) 10.495 4.108 ( 2.514 1.342 10.100) 10.495 4.221 ( 0.142 -0.803 -2.650) 2.773 4.221 ( 0.142 0.803 -2.650) 2.773 4.313 ( 3.371 -2.080 -2.746) 4.820 4.313 ( 3.371 2.080 -2.746) 4.820 4.614 ( -3.651 -2.721 -5.594) 7.213 4.614 ( -3.651 2.721 -5.594) 7.213 4.660 ( 4.160 -0.798 -1.386) 4.457 4.660 ( 4.160 0.798 -1.386) 4.457 4.975 ( -0.783 -0.234 1.805) 1.982 4.975 ( -0.783 0.234 1.805) 1.982 5.089 ( 4.694 -1.673 -0.506) 5.009 5.089 ( 4.694 1.673 -0.506) 5.009 5.488 ( -2.755 -1.045 3.466) 4.549 5.488 ( -2.755 1.045 3.466) 4.549 5.733 ( 3.436 -3.975 4.953) 7.221 5.733 ( 3.436 3.975 4.953) 7.221 5.908 ( -2.951 -5.546 2.673) 6.827 5.908 ( -2.951 5.546 2.673) 6.827 6.726 ( -5.697 -4.485 -1.664) 7.439 6.726 ( -5.697 4.485 -1.664) 7.439 7.621 ( -1.042 -1.383 1.728) 2.447 7.621 ( -1.042 1.383 1.728) 2.447 7.826 ( 0.723 -5.558 3.068) 6.390 7.826 ( 0.723 5.558 3.068) 6.390 7.962 ( -0.009 -8.001 -2.804) 8.478 7.962 ( -0.009 8.001 -2.804) 8.478 9.315 ( 0.403 -6.309 -4.664) 7.856 9.315 ( 0.403 6.309 -4.664) 7.856 9.665 ( 3.457 -4.166 -3.959) 6.707 9.665 ( 3.457 4.166 -3.959) 6.707 10.010 ( 2.340 -5.272 -18.577) 19.452 10.010 ( 2.340 5.272 -18.577) 19.452 10.201 ( 2.473 -0.524 -22.800) 22.939 10.201 ( 2.473 0.524 -22.800) 22.939 10.720 ( 0.305 -3.228 3.194) 4.551 10.720 ( 0.305 3.228 3.194) 4.551 10.884 ( 0.667 -1.808 -1.561) 2.480 10.884 ( 0.667 1.808 -1.561) 2.480 11.389 ( -0.191 -7.617 0.938) 7.677 11.389 ( -0.191 7.617 0.938) 7.677 11.966 ( -2.024 -7.387 -1.369) 7.780 11.966 ( -2.024 7.387 -1.369) 7.780 12.801 ( -1.121 -3.687 6.903) 7.906 12.801 ( -1.121 3.687 6.903) 7.906 13.085 ( 1.660 -1.028 -4.813) 5.194 13.085 ( 1.660 1.028 -4.813) 5.194 13.363 ( -0.770 -1.267 2.785) 3.155 13.363 ( -0.770 1.267 2.785) 3.155 13.647 ( -0.383 -0.267 0.351) 0.584 13.647 ( -0.383 0.267 0.351) 0.584 14.712 ( 0.100 -1.484 -1.629) 2.206 14.712 ( 0.100 1.484 -1.629) 2.206 14.821 ( 1.129 -1.503 -3.521) 3.991 14.821 ( 1.129 1.503 -3.521) 3.991 15.087 ( -1.100 -1.203 1.558) 2.255 15.087 ( -1.100 1.203 1.558) 2.255 15.338 ( 0.363 -1.246 -1.555) 2.025 15.338 ( 0.363 1.246 -1.555) 2.025 15.563 ( 0.270 -0.978 2.925) 3.096 15.563 ( 0.270 0.978 2.925) 3.096 15.719 ( 0.080 -1.857 -0.693) 1.984 15.719 ( 0.080 1.857 -0.693) 1.984 15.819 ( -1.414 -3.843 0.369) 4.111 15.819 ( -1.414 3.843 0.369) 4.111 15.953 ( 1.117 -4.070 -2.756) 5.041 15.953 ( 1.117 4.070 -2.756) 5.041 17.531 ( -1.179 -1.987 2.160) 3.162 17.531 ( -1.179 1.987 2.160) 3.162 17.592 ( -0.512 -4.581 3.841) 6.000 17.592 ( -0.512 4.581 3.841) 6.000 17.891 ( 1.604 -3.470 3.365) 5.093 17.891 ( 1.604 3.470 3.365) 5.093 18.018 ( -0.801 -1.615 -0.180) 1.812 18.018 ( -0.801 1.615 -0.180) 1.812 26.559 ( 1.230 -1.054 1.054) 1.932 26.559 ( 1.230 1.054 1.054) 1.932 26.634 ( -0.402 -1.705 -0.757) 1.909 26.634 ( -0.402 1.705 -0.757) 1.909 26.761 ( -1.004 -0.256 0.146) 1.047 26.761 ( -1.004 0.256 0.146) 1.047 26.930 ( 0.552 -1.377 0.631) 1.612 26.930 ( 0.552 1.377 0.631) 1.612 27.231 ( 0.182 -2.386 0.409) 2.427 27.231 ( 0.182 2.386 0.409) 2.427 27.494 ( 1.409 -2.245 0.458) 2.690 27.494 ( 1.409 2.245 0.458) 2.690 27.786 ( -1.098 -2.126 3.604) 4.326 27.786 ( -1.098 2.126 3.604) 4.326 27.974 ( -0.016 -1.809 -6.146) 6.407 27.974 ( -0.016 1.809 -6.146) 6.407 28.090 ( 0.328 -0.806 5.444) 5.513 28.090 ( 0.328 0.806 5.444) 5.513 28.546 ( 4.516 -1.568 1.948) 5.162 28.546 ( 4.516 1.568 1.948) 5.162 28.811 ( -3.065 -3.236 9.023) 10.064 28.811 ( -3.065 3.236 9.023) 10.064 29.200 ( -2.284 -3.800 -10.247) 11.165 29.200 ( -2.284 3.800 -10.247) 11.165 30.609 ( -1.630 -0.929 0.635) 1.981 30.609 ( -1.630 0.929 0.635) 1.981 31.128 ( 2.148 -4.389 -4.434) 6.598 31.128 ( 2.148 4.389 -4.434) 6.598 31.567 ( 1.905 -3.062 -0.506) 3.641 31.567 ( 1.905 3.062 -0.506) 3.641 32.027 ( -2.610 -3.775 2.495) 5.224 32.027 ( -2.610 3.775 2.495) 5.224 ======================= Grid point 91 (53/63) ======================= q-point: (-0.40 -0.50 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.021 -10.754 6.784) 12.756 0.616 ( 1.021 10.754 6.784) 12.756 0.952 ( 0.171 -4.172 -1.351) 4.388 0.952 ( 0.171 4.172 -1.351) 4.388 1.069 ( -3.874 -6.550 2.196) 7.920 1.069 ( -3.874 6.550 2.196) 7.920 1.151 ( -0.103 -0.927 2.089) 2.288 1.151 ( -0.103 0.927 2.089) 2.288 1.288 ( -1.142 -2.447 2.125) 3.436 1.288 ( -1.142 2.447 2.125) 3.436 1.425 ( 0.527 -1.371 -1.263) 1.937 1.425 ( 0.527 1.371 -1.263) 1.937 1.480 ( 1.834 -1.689 -0.774) 2.611 1.480 ( 1.834 1.689 -0.774) 2.611 1.544 ( 1.369 -5.504 4.094) 6.995 1.544 ( 1.369 5.504 4.094) 6.995 1.666 ( 1.269 -6.728 -0.669) 6.879 1.666 ( 1.269 6.728 -0.669) 6.879 1.747 ( -1.574 -3.172 -3.376) 4.892 1.747 ( -1.574 3.172 -3.376) 4.892 1.872 ( 0.857 -2.581 2.867) 3.952 1.872 ( 0.857 2.581 2.867) 3.952 1.990 ( -1.769 -2.081 5.169) 5.846 1.990 ( -1.769 2.081 5.169) 5.846 2.078 ( -0.325 -1.853 1.927) 2.694 2.078 ( -0.325 1.853 1.927) 2.694 2.297 ( -1.331 -3.926 -1.467) 4.398 2.297 ( -1.331 3.926 -1.467) 4.398 2.683 ( -3.584 -4.665 7.587) 9.601 2.683 ( -3.584 4.665 7.587) 9.601 2.825 ( 2.027 -8.758 2.328) 9.286 2.825 ( 2.027 8.758 2.328) 9.286 2.831 ( -1.050 -1.724 0.881) 2.202 2.831 ( -1.050 1.724 0.881) 2.202 3.098 ( 3.333 -2.733 -3.866) 5.789 3.098 ( 3.333 2.733 -3.866) 5.789 3.226 ( -1.736 -5.390 11.088) 12.450 3.226 ( -1.736 5.390 11.088) 12.450 3.268 ( -2.423 -1.862 5.148) 5.986 3.268 ( -2.423 1.862 5.148) 5.986 3.403 ( -2.406 -1.681 7.355) 7.919 3.403 ( -2.406 1.681 7.355) 7.919 3.537 ( -4.339 -4.087 -3.020) 6.682 3.537 ( -4.339 4.087 -3.020) 6.682 3.657 ( -1.932 -2.940 6.813) 7.668 3.657 ( -1.932 2.940 6.813) 7.668 3.902 ( 3.292 -2.563 -3.936) 5.736 3.902 ( 3.292 2.563 -3.936) 5.736 4.146 ( -4.954 -6.631 2.679) 8.700 4.146 ( -4.954 6.631 2.679) 8.700 4.211 ( 2.124 -2.481 4.201) 5.321 4.211 ( 2.124 2.481 4.201) 5.321 4.390 ( 4.370 -3.564 -4.154) 7.004 4.390 ( 4.370 3.564 -4.154) 7.004 4.462 ( -6.764 -3.244 -2.231) 7.826 4.462 ( -6.764 3.244 -2.231) 7.826 4.757 ( 3.769 -1.408 -4.632) 6.136 4.757 ( 3.769 1.408 -4.632) 6.136 4.929 ( -3.054 -2.118 -0.064) 3.717 4.929 ( -3.054 2.118 -0.064) 3.717 5.199 ( 4.730 -3.972 -2.356) 6.611 5.199 ( 4.730 3.972 -2.356) 6.611 5.454 ( -1.795 -2.986 7.201) 8.000 5.454 ( -1.795 2.986 7.201) 8.000 5.703 ( -7.862 -7.383 4.513) 11.691 5.703 ( -7.862 7.383 4.513) 11.691 5.914 ( 2.660 -5.071 2.032) 6.076 5.914 ( 2.660 5.071 2.032) 6.076 6.701 ( 3.868 -0.649 -0.190) 3.926 6.701 ( 3.868 0.649 -0.190) 3.926 7.611 ( -0.499 -4.970 1.931) 5.355 7.611 ( -0.499 4.970 1.931) 5.355 7.863 ( 1.636 -5.429 2.711) 6.286 7.863 ( 1.636 5.429 2.711) 6.286 7.952 ( 0.195 -7.534 -3.395) 8.266 7.952 ( 0.195 7.534 -3.395) 8.266 9.313 ( 1.160 -4.913 -5.505) 7.469 9.313 ( 1.160 4.913 -5.505) 7.469 9.700 ( 0.346 -3.017 -2.327) 3.826 9.700 ( 0.346 3.017 -2.327) 3.826 9.998 ( 3.452 -2.976 -20.330) 20.835 9.998 ( 3.452 2.976 -20.330) 20.835 10.184 ( 3.530 -0.312 -21.868) 22.154 10.184 ( 3.530 0.312 -21.868) 22.154 10.727 ( -0.651 -3.107 2.684) 4.157 10.727 ( -0.651 3.107 2.684) 4.157 10.898 ( 1.053 -1.417 -2.057) 2.710 10.898 ( 1.053 1.417 -2.057) 2.710 11.378 ( -1.087 -7.000 1.239) 7.191 11.378 ( -1.087 7.000 1.239) 7.191 11.960 ( 1.870 -7.893 -1.056) 8.180 11.960 ( 1.870 7.893 -1.056) 8.180 12.808 ( -0.587 -3.801 6.800) 7.812 12.808 ( -0.587 3.801 6.800) 7.812 13.085 ( -0.055 -0.586 -4.882) 4.918 13.085 ( -0.055 0.586 -4.882) 4.918 13.379 ( 1.358 -1.062 2.128) 2.739 13.379 ( 1.358 1.062 2.128) 2.739 13.631 ( -1.283 -0.572 0.973) 1.708 13.631 ( -1.283 0.572 0.973) 1.708 14.712 ( 0.422 -1.863 -1.786) 2.615 14.712 ( 0.422 1.863 -1.786) 2.615 14.818 ( -0.262 -0.800 -3.144) 3.254 14.818 ( -0.262 0.800 -3.144) 3.254 15.092 ( 1.119 -0.946 1.132) 1.852 15.092 ( 1.119 0.946 1.132) 1.852 15.338 ( 0.063 -1.160 -1.505) 1.901 15.338 ( 0.063 1.160 -1.505) 1.901 15.568 ( -0.686 -1.418 2.469) 2.929 15.568 ( -0.686 1.418 2.469) 2.929 15.724 ( 0.363 -2.653 -0.603) 2.745 15.724 ( 0.363 2.653 -0.603) 2.745 15.797 ( -0.589 -5.232 1.185) 5.397 15.797 ( -0.589 5.232 1.185) 5.397 15.956 ( 0.032 -4.269 -2.790) 5.100 15.956 ( 0.032 4.269 -2.790) 5.100 17.511 ( -1.142 -0.669 2.587) 2.906 17.511 ( -1.142 0.669 2.587) 2.906 17.613 ( 0.825 -1.436 3.420) 3.800 17.613 ( 0.825 1.436 3.420) 3.800 17.922 ( -0.132 -2.542 2.854) 3.825 17.922 ( -0.132 2.542 2.854) 3.825 17.984 ( -2.060 -1.069 0.389) 2.353 17.984 ( -2.060 1.069 0.389) 2.353 26.567 ( -0.972 -1.865 0.882) 2.281 26.567 ( -0.972 1.865 0.882) 2.281 26.647 ( 1.915 -0.540 -1.521) 2.504 26.647 ( 1.915 0.540 -1.521) 2.504 26.750 ( -0.019 -0.761 0.647) 0.999 26.750 ( -0.019 0.761 0.647) 0.999 26.930 ( -0.620 -2.836 0.695) 2.985 26.930 ( -0.620 2.836 0.695) 2.985 27.236 ( 0.110 -2.064 0.052) 2.067 27.236 ( 0.110 2.064 0.052) 2.067 27.538 ( 2.224 -3.448 -0.112) 4.104 27.538 ( 2.224 3.448 -0.112) 4.104 27.741 ( -3.891 -2.519 3.188) 5.625 27.741 ( -3.891 2.519 3.188) 5.625 27.974 ( 1.994 -1.116 -5.070) 5.561 27.974 ( 1.994 1.116 -5.070) 5.561 28.101 ( -1.126 -0.825 5.050) 5.239 28.101 ( -1.126 0.825 5.050) 5.239 28.582 ( -2.979 -1.282 0.052) 3.244 28.582 ( -2.979 1.282 0.052) 3.244 28.797 ( -0.443 -1.713 8.796) 8.972 28.797 ( -0.443 1.713 8.796) 8.972 29.137 ( 0.067 -3.224 -6.026) 6.835 29.137 ( 0.067 3.224 -6.026) 6.835 30.611 ( 1.625 -2.459 0.229) 2.956 30.611 ( 1.625 2.459 0.229) 2.956 31.137 ( 0.160 -1.864 -4.909) 5.253 31.137 ( 0.160 1.864 -4.909) 5.253 31.577 ( -0.727 -5.400 -0.872) 5.518 31.577 ( -0.727 5.400 -0.872) 5.518 32.041 ( 3.035 -1.099 1.772) 3.682 32.041 ( 3.035 1.099 1.772) 3.682 ======================= Grid point 93 (54/63) ======================= q-point: (-0.20 -0.50 0.38) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 3.561 -11.726 3.716) 12.805 0.673 ( 3.561 11.726 3.716) 12.805 0.913 ( -4.012 -5.312 5.514) 8.644 0.913 ( -4.012 5.312 5.514) 8.644 1.060 ( 1.929 -2.551 -0.016) 3.198 1.060 ( 1.929 2.551 -0.016) 3.198 1.181 ( 1.326 -3.886 5.034) 6.497 1.181 ( 1.326 3.886 5.034) 6.497 1.253 ( -2.773 -2.800 1.760) 4.316 1.253 ( -2.773 2.800 1.760) 4.316 1.390 ( -1.968 -4.488 -1.507) 5.128 1.390 ( -1.968 4.488 -1.507) 5.128 1.501 ( -1.845 -3.536 0.463) 4.015 1.501 ( -1.845 3.536 0.463) 4.015 1.522 ( -0.010 -0.268 -4.292) 4.300 1.522 ( -0.010 0.268 -4.292) 4.300 1.730 ( 1.382 -1.385 2.800) 3.416 1.730 ( 1.382 1.385 2.800) 3.416 1.776 ( 3.658 -5.779 0.695) 6.875 1.776 ( 3.658 5.779 0.695) 6.875 1.874 ( -0.868 -1.426 3.400) 3.788 1.874 ( -0.868 1.426 3.400) 3.788 2.031 ( 2.651 -0.849 5.523) 6.185 2.031 ( 2.651 0.849 5.523) 6.185 2.084 ( 0.680 -1.467 1.064) 1.936 2.084 ( 0.680 1.467 1.064) 1.936 2.275 ( 0.272 -3.226 -2.717) 4.226 2.275 ( 0.272 3.226 -2.717) 4.226 2.654 ( -0.951 -5.375 5.372) 7.659 2.654 ( -0.951 5.375 5.372) 7.659 2.787 ( -2.895 -3.485 2.391) 5.123 2.787 ( -2.895 3.485 2.391) 5.123 2.871 ( 1.249 -10.715 0.412) 10.795 2.871 ( 1.249 10.715 0.412) 10.795 3.120 ( -1.515 -4.085 -2.981) 5.279 3.120 ( -1.515 4.085 -2.981) 5.279 3.201 ( -3.979 -1.968 13.758) 14.457 3.201 ( -3.979 1.968 13.758) 14.457 3.248 ( -0.595 -5.456 6.127) 8.226 3.248 ( -0.595 5.456 6.127) 8.226 3.383 ( -2.522 -3.035 2.860) 4.873 3.383 ( -2.522 3.035 2.860) 4.873 3.467 ( 0.630 -5.134 -0.378) 5.186 3.467 ( 0.630 5.134 -0.378) 5.186 3.657 ( -1.002 -2.865 6.090) 6.805 3.657 ( -1.002 2.865 6.090) 6.805 3.903 ( -1.704 -2.274 -5.435) 6.133 3.903 ( -1.704 2.274 -5.435) 6.133 4.036 ( -4.709 -9.490 3.096) 11.038 4.036 ( -4.709 9.490 3.096) 11.038 4.251 ( 0.185 -5.040 2.112) 5.468 4.251 ( 0.185 5.040 2.112) 5.468 4.345 ( -3.861 -2.899 1.201) 4.976 4.345 ( -3.861 2.899 1.201) 4.976 4.464 ( 3.040 -5.581 -2.380) 6.786 4.464 ( 3.040 5.581 -2.380) 6.786 4.751 ( -2.108 -1.414 -4.154) 4.868 4.751 ( -2.108 1.414 -4.154) 4.868 4.896 ( 0.794 -2.890 -4.219) 5.175 4.896 ( 0.794 2.890 -4.219) 5.175 5.226 ( -1.469 -3.664 -2.056) 4.451 5.226 ( -1.469 3.664 -2.056) 4.451 5.418 ( -4.683 -4.902 8.755) 11.073 5.418 ( -4.683 4.902 8.755) 11.073 5.640 ( 2.134 -3.722 3.030) 5.253 5.640 ( 2.134 3.722 3.030) 5.253 5.942 ( -0.939 -2.257 3.049) 3.908 5.942 ( -0.939 2.257 3.049) 3.908 6.832 ( 6.886 -3.313 1.506) 7.789 6.832 ( 6.886 3.313 1.506) 7.789 7.614 ( 0.066 -6.889 1.898) 7.146 7.614 ( 0.066 6.889 1.898) 7.146 7.893 ( 0.095 -4.851 1.924) 5.219 7.893 ( 0.095 4.851 1.924) 5.219 7.951 ( 0.906 -7.517 -3.580) 8.375 7.951 ( 0.906 7.517 -3.580) 8.375 9.322 ( 1.317 -5.135 -4.286) 6.818 9.322 ( 1.317 5.135 -4.286) 6.818 9.663 ( -1.970 -1.788 -5.430) 6.046 9.663 ( -1.970 1.788 -5.430) 6.046 10.010 ( 4.079 -2.436 -20.079) 20.634 10.010 ( 4.079 2.436 -20.079) 20.634 10.197 ( 4.777 -2.890 -20.023) 20.786 10.197 ( 4.777 2.890 -20.023) 20.786 10.714 ( -1.104 -3.056 1.372) 3.527 10.714 ( -1.104 3.056 1.372) 3.527 10.904 ( 0.232 -1.207 -2.375) 2.674 10.904 ( 0.232 1.207 -2.375) 2.674 11.364 ( -0.609 -5.126 1.949) 5.518 11.364 ( -0.609 5.126 1.949) 5.518 12.016 ( 3.206 -7.662 -0.487) 8.319 12.016 ( 3.206 7.662 -0.487) 8.319 12.820 ( -0.527 -4.310 6.177) 7.550 12.820 ( -0.527 4.310 6.177) 7.550 13.058 ( -0.714 -1.113 -4.349) 4.545 13.058 ( -0.714 1.113 -4.349) 4.545 13.416 ( 1.037 -1.643 2.266) 2.985 13.416 ( 1.037 1.643 2.266) 2.985 13.611 ( -0.569 -0.769 0.293) 1.000 13.611 ( -0.569 0.769 0.293) 1.000 14.718 ( 0.831 -1.908 -1.781) 2.739 14.718 ( 0.831 1.908 -1.781) 2.739 14.795 ( -0.753 -0.156 -2.747) 2.853 14.795 ( -0.753 0.156 -2.747) 2.853 15.127 ( 1.515 -0.691 0.712) 1.811 15.127 ( 1.515 0.691 0.712) 1.811 15.332 ( -0.085 -0.968 -1.439) 1.736 15.332 ( -0.085 0.968 -1.439) 1.736 15.556 ( -1.260 -1.895 2.380) 3.293 15.556 ( -1.260 1.895 2.380) 3.293 15.725 ( 0.115 -2.704 -0.551) 2.762 15.725 ( 0.115 2.704 -0.551) 2.762 15.812 ( 1.371 -4.582 0.900) 4.867 15.812 ( 1.371 4.582 0.900) 4.867 15.938 ( -0.728 -4.697 -2.536) 5.388 15.938 ( -0.728 4.697 -2.536) 5.388 17.504 ( -0.865 -2.136 4.359) 4.931 17.504 ( -0.865 2.136 4.359) 4.931 17.646 ( 1.334 -1.581 2.722) 3.419 17.646 ( 1.334 1.581 2.722) 3.419 17.878 ( -3.862 -3.299 1.057) 5.188 17.878 ( -3.862 3.299 1.057) 5.188 17.975 ( 0.321 -2.791 2.254) 3.602 17.975 ( 0.321 2.791 2.254) 3.602 26.555 ( -0.002 -2.262 0.581) 2.335 26.555 ( -0.002 2.262 0.581) 2.335 26.650 ( -1.593 -1.465 -0.388) 2.199 26.650 ( -1.593 1.465 -0.388) 2.199 26.776 ( 2.140 -1.802 -0.101) 2.799 26.776 ( 2.140 1.802 -0.101) 2.799 26.915 ( -0.987 -2.898 0.177) 3.066 26.915 ( -0.987 2.898 0.177) 3.066 27.238 ( 0.442 -1.784 -1.453) 2.343 27.238 ( 0.442 1.784 -1.453) 2.343 27.565 ( 0.215 -3.219 -0.140) 3.229 27.565 ( 0.215 3.219 -0.140) 3.229 27.679 ( -2.314 -2.096 2.207) 3.823 27.679 ( -2.314 2.096 2.207) 3.823 27.985 ( -0.717 -1.741 -1.838) 2.631 27.985 ( -0.717 1.741 -1.838) 2.631 28.110 ( 1.435 -4.141 2.735) 5.166 28.110 ( 1.435 4.141 2.735) 5.166 28.459 ( -6.831 -0.447 -0.135) 6.846 28.459 ( -6.831 0.447 -0.135) 6.846 28.831 ( -0.333 -0.561 10.168) 10.188 28.831 ( -0.333 0.561 10.168) 10.188 29.173 ( 4.594 -6.681 -5.368) 9.724 29.173 ( 4.594 6.681 -5.368) 9.724 30.664 ( 2.844 -3.436 1.271) 4.638 30.664 ( 2.844 3.436 1.271) 4.638 31.098 ( -2.200 -5.110 -3.634) 6.645 31.098 ( -2.200 5.110 -3.634) 6.645 31.553 ( -0.463 -6.378 -3.924) 7.503 31.553 ( -0.463 6.378 -3.924) 7.503 32.121 ( 3.242 -1.859 1.320) 3.963 32.121 ( 3.242 1.859 1.320) 3.963 ======================= Grid point 100 (55/63) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -4.188 0.000 -7.213) 8.340 0.989 ( 4.188 0.000 7.213) 8.340 1.007 ( 0.327 0.000 -0.360) 0.486 1.007 ( -0.327 0.000 0.360) 0.486 1.124 ( 3.124 0.000 -5.189) 6.057 1.124 ( -3.124 0.000 5.189) 6.057 1.277 ( 0.096 0.000 -1.306) 1.309 1.277 ( -0.096 0.000 1.306) 1.309 1.347 ( -3.239 0.000 -2.812) 4.289 1.347 ( 3.239 0.000 2.812) 4.289 1.447 ( -2.471 0.000 -2.598) 3.585 1.447 ( 2.471 0.000 2.598) 3.585 1.518 ( 0.032 0.000 -4.522) 4.522 1.518 ( -0.032 0.000 4.522) 4.522 1.533 ( -6.753 0.000 -0.126) 6.754 1.533 ( 6.753 0.000 0.126) 6.754 1.775 ( -3.800 0.000 -2.124) 4.353 1.775 ( 3.800 0.000 2.124) 4.353 1.845 ( -1.542 0.000 -2.939) 3.319 1.845 ( 1.542 0.000 2.939) 3.319 1.920 ( -1.046 0.000 -1.034) 1.471 1.920 ( 1.046 0.000 1.034) 1.471 2.000 ( -1.549 0.000 -1.987) 2.519 2.000 ( 1.549 0.000 1.987) 2.519 2.087 ( 5.685 0.000 -4.450) 7.220 2.087 ( -5.685 0.000 4.450) 7.220 2.224 ( 0.184 0.000 -1.340) 1.353 2.224 ( -0.184 0.000 1.340) 1.353 2.493 ( 1.787 0.000 -6.871) 7.099 2.493 ( -1.787 0.000 6.871) 7.099 2.588 ( -3.790 0.000 -0.699) 3.854 2.588 ( 3.790 0.000 0.699) 3.854 2.879 ( -1.970 0.000 -3.847) 4.322 2.879 ( 1.970 0.000 3.847) 4.322 3.015 ( -2.392 0.000 -3.479) 4.223 3.015 ( 2.392 0.000 3.479) 4.223 3.278 ( -7.908 0.000 0.572) 7.929 3.278 ( 7.908 0.000 -0.572) 7.929 3.373 ( 5.676 0.000 -2.427) 6.173 3.373 ( -5.676 0.000 2.427) 6.173 3.434 ( 2.116 0.000 -3.524) 4.111 3.434 ( -2.116 0.000 3.524) 4.111 3.569 ( 0.100 0.000 -0.574) 0.583 3.569 ( -0.100 0.000 0.574) 0.583 3.688 ( -0.746 0.000 -2.142) 2.268 3.688 ( 0.746 0.000 2.142) 2.268 3.826 ( -0.772 0.000 -1.117) 1.358 3.826 ( 0.772 0.000 1.117) 1.358 4.066 ( 2.883 0.000 -4.516) 5.358 4.066 ( -2.883 0.000 4.516) 5.358 4.309 ( -4.160 0.000 -12.080) 12.776 4.309 ( 4.160 0.000 12.080) 12.776 4.505 ( 0.596 0.000 -3.809) 3.856 4.505 ( -0.596 0.000 3.809) 3.856 4.539 ( 1.103 0.000 -0.394) 1.172 4.539 ( -1.103 0.000 0.394) 1.172 4.573 ( 3.573 0.000 -1.308) 3.805 4.573 ( -3.573 0.000 1.308) 3.805 4.834 ( -2.413 0.000 -1.515) 2.850 4.834 ( 2.413 0.000 1.515) 2.850 5.050 ( 0.214 0.000 -2.917) 2.924 5.050 ( -0.214 0.000 2.917) 2.924 5.682 ( -1.112 0.000 -1.659) 1.997 5.682 ( 1.112 0.000 1.659) 1.997 5.787 ( -0.999 0.000 -7.923) 7.986 5.787 ( 0.999 0.000 7.923) 7.986 5.995 ( 2.705 0.000 -2.456) 3.654 5.995 ( -2.705 0.000 2.456) 3.654 6.734 ( 0.588 0.000 -0.422) 0.723 6.734 ( -0.588 0.000 0.422) 0.723 7.518 ( -1.453 0.000 -3.998) 4.254 7.518 ( 1.453 0.000 3.998) 4.254 7.794 ( -0.421 0.000 -0.684) 0.803 7.794 ( 0.421 0.000 0.684) 0.803 8.126 ( 0.952 0.000 -2.009) 2.223 8.126 ( -0.952 0.000 2.009) 2.223 9.120 ( 0.150 0.000 -5.442) 5.444 9.120 ( -0.150 0.000 5.442) 5.444 9.536 ( -0.866 0.000 -1.993) 2.173 9.536 ( 0.866 0.000 1.993) 2.173 9.824 ( -2.919 0.000 -2.523) 3.858 9.824 ( 2.919 0.000 2.523) 3.858 10.165 ( -1.150 0.000 -4.034) 4.195 10.165 ( 1.150 0.000 4.034) 4.195 10.751 ( -1.711 0.000 -4.965) 5.251 10.751 ( 1.711 0.000 4.965) 5.251 10.892 ( 0.089 0.000 -2.366) 2.368 10.892 ( -0.089 0.000 2.366) 2.368 11.321 ( 4.076 0.000 -9.403) 10.248 11.321 ( -4.076 0.000 9.403) 10.248 11.989 ( 0.771 0.000 -8.436) 8.471 11.989 ( -0.771 0.000 8.436) 8.471 12.872 ( 0.418 0.000 -9.190) 9.200 12.872 ( -0.418 0.000 9.190) 9.200 13.036 ( 1.038 0.000 -4.863) 4.973 13.036 ( -1.038 0.000 4.863) 4.973 13.468 ( -1.749 0.000 -0.662) 1.870 13.468 ( 1.749 0.000 0.662) 1.870 13.597 ( -0.942 0.000 -0.489) 1.061 13.597 ( 0.942 0.000 0.489) 1.061 14.709 ( -1.249 0.000 -1.647) 2.067 14.709 ( 1.249 0.000 1.647) 2.067 14.764 ( 1.846 0.000 -2.047) 2.756 14.764 ( -1.846 0.000 2.047) 2.756 15.149 ( 0.473 0.000 -0.865) 0.986 15.149 ( -0.473 0.000 0.865) 0.986 15.314 ( 0.543 0.000 -1.753) 1.835 15.314 ( -0.543 0.000 1.753) 1.835 15.607 ( 1.721 0.000 -1.398) 2.217 15.607 ( -1.721 0.000 1.398) 2.217 15.639 ( 3.346 0.000 -3.316) 4.711 15.639 ( -3.346 0.000 3.316) 4.711 15.801 ( -1.738 0.000 -1.169) 2.095 15.801 ( 1.738 0.000 1.169) 2.095 16.136 ( -0.188 0.000 -1.718) 1.729 16.136 ( 0.188 0.000 1.718) 1.729 17.509 ( 1.506 0.000 -4.473) 4.719 17.509 ( -1.506 0.000 4.473) 4.719 17.664 ( 2.410 0.000 -2.724) 3.637 17.664 ( -2.410 0.000 2.724) 3.637 17.817 ( -1.368 0.000 -1.938) 2.373 17.817 ( 1.368 0.000 1.938) 2.373 18.006 ( -0.298 0.000 -0.663) 0.727 18.006 ( 0.298 0.000 0.663) 0.727 26.536 ( -0.195 0.000 -2.242) 2.250 26.536 ( 0.195 0.000 2.242) 2.250 26.632 ( 5.292 0.000 -2.835) 6.004 26.632 ( -5.292 0.000 2.835) 6.004 26.805 ( -2.197 0.000 -1.524) 2.674 26.805 ( 2.197 0.000 1.524) 2.674 26.932 ( -2.233 0.000 -2.212) 3.143 26.932 ( 2.233 0.000 2.212) 3.143 27.219 ( 0.132 0.000 -1.802) 1.807 27.219 ( -0.132 0.000 1.802) 1.807 27.518 ( 0.654 0.000 -3.665) 3.723 27.518 ( -0.654 0.000 3.665) 3.723 27.717 ( 3.057 0.000 -3.718) 4.813 27.717 ( -3.057 0.000 3.718) 4.813 27.923 ( -4.691 0.000 0.060) 4.692 27.923 ( 4.691 0.000 -0.060) 4.692 28.155 ( -5.588 0.000 -5.006) 7.503 28.155 ( 5.588 0.000 5.006) 7.503 28.405 ( -1.711 0.000 -2.975) 3.432 28.405 ( 1.711 0.000 2.975) 3.432 28.896 ( 1.516 0.000 -1.845) 2.388 28.896 ( -1.516 0.000 1.845) 2.388 29.211 ( 1.119 0.000 -14.422) 14.465 29.211 ( -1.119 0.000 14.422) 14.465 30.729 ( -1.025 0.000 -2.508) 2.710 30.729 ( 1.025 0.000 2.508) 2.710 31.044 ( 4.374 0.000 -9.841) 10.769 31.044 ( -4.374 0.000 9.841) 10.769 31.415 ( -4.641 0.000 -4.141) 6.220 31.415 ( 4.641 0.000 4.141) 6.220 32.213 ( 2.787 0.000 -5.293) 5.982 32.213 ( -2.787 0.000 5.293) 5.982 ======================= Grid point 102 (56/63) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -8.425 0.000 -13.653) 16.043 0.908 ( -8.167 0.000 0.954) 8.223 1.040 ( 0.407 0.000 2.268) 2.304 1.067 ( -2.282 0.000 3.283) 3.998 1.072 ( 0.936 0.000 -4.982) 5.069 1.177 ( 3.142 0.000 -0.741) 3.229 1.237 ( -5.579 0.000 0.024) 5.579 1.294 ( -0.128 0.000 -0.015) 0.129 1.299 ( 2.492 0.000 -0.242) 2.504 1.360 ( -4.879 0.000 -2.181) 5.344 1.385 ( -1.183 0.000 -0.284) 1.217 1.405 ( -1.190 0.000 4.564) 4.717 1.489 ( -2.869 0.000 4.574) 5.399 1.496 ( -0.684 0.000 -2.874) 2.954 1.502 ( 0.616 0.000 2.263) 2.345 1.669 ( 3.690 0.000 1.257) 3.898 1.703 ( -2.604 0.000 -0.312) 2.623 1.773 ( -2.285 0.000 -1.313) 2.635 1.871 ( -3.643 0.000 -0.646) 3.700 1.873 ( -0.328 0.000 0.823) 0.886 1.904 ( 5.171 0.000 0.316) 5.180 1.935 ( 0.026 0.000 5.236) 5.236 1.957 ( 0.027 0.000 0.040) 0.048 2.038 ( 2.435 0.000 -2.188) 3.273 2.069 ( 3.083 0.000 -2.457) 3.942 2.146 ( -3.069 0.000 -2.651) 4.055 2.208 ( -1.674 0.000 2.511) 3.018 2.234 ( 5.420 0.000 -6.933) 8.800 2.482 ( 0.652 0.000 -5.513) 5.552 2.486 ( -0.368 0.000 2.406) 2.434 2.626 ( 5.184 0.000 -2.396) 5.711 2.698 ( 3.964 0.000 4.821) 6.241 2.877 ( 3.118 0.000 -0.332) 3.136 2.938 ( 1.717 0.000 3.951) 4.308 3.006 ( 2.268 0.000 -2.844) 3.638 3.114 ( 1.663 0.000 4.135) 4.457 3.180 ( 1.775 0.000 1.094) 2.085 3.293 ( -3.000 0.000 -3.735) 4.791 3.395 ( 1.885 0.000 2.171) 2.876 3.436 ( -1.566 0.000 -2.200) 2.701 3.480 ( 3.139 0.000 -6.124) 6.882 3.496 ( 6.920 0.000 9.227) 11.534 3.560 ( -1.351 0.000 3.482) 3.734 3.612 ( 4.045 0.000 -2.239) 4.623 3.655 ( -0.699 0.000 0.994) 1.215 3.688 ( -1.281 0.000 1.023) 1.639 3.811 ( -2.726 0.000 -0.615) 2.795 3.836 ( 4.488 0.000 -1.003) 4.598 4.030 ( -1.188 0.000 3.244) 3.455 4.044 ( -5.571 0.000 -5.455) 7.797 4.190 ( 0.684 0.000 -10.054) 10.077 4.355 ( -1.256 0.000 7.253) 7.361 4.457 ( -4.930 0.000 -0.686) 4.978 4.498 ( -2.719 0.000 2.792) 3.897 4.547 ( 2.762 0.000 -0.946) 2.920 4.565 ( 3.457 0.000 3.273) 4.761 4.634 ( 6.366 0.000 -2.808) 6.958 4.658 ( 2.569 0.000 1.529) 2.990 4.785 ( -1.672 0.000 -2.455) 2.970 4.882 ( 2.048 0.000 -2.336) 3.107 5.054 ( 0.759 0.000 -0.495) 0.906 5.065 ( 0.179 0.000 5.700) 5.703 5.553 ( -5.993 0.000 -0.259) 5.999 5.607 ( -5.017 0.000 2.530) 5.619 5.818 ( 0.444 0.000 -6.914) 6.928 5.900 ( -6.277 0.000 2.735) 6.847 5.935 ( 6.307 0.000 4.378) 7.678 6.026 ( 3.034 0.000 -3.927) 4.962 6.731 ( -0.180 0.000 2.081) 2.089 6.747 ( 0.236 0.000 1.287) 1.309 7.506 ( 2.110 0.000 -4.289) 4.780 7.577 ( 2.833 0.000 3.288) 4.340 7.769 ( -1.692 0.000 -0.885) 1.909 7.783 ( -2.118 0.000 1.460) 2.572 8.104 ( -1.711 0.000 2.444) 2.983 8.124 ( -0.370 0.000 -2.479) 2.507 9.096 ( -0.289 0.000 -5.252) 5.260 9.119 ( -1.539 0.000 4.468) 4.726 9.544 ( 1.524 0.000 0.717) 1.684 9.597 ( 3.536 0.000 5.317) 6.386 9.757 ( -2.422 0.000 -3.185) 4.001 9.882 ( 1.816 0.000 -0.035) 1.816 10.111 ( -2.259 0.000 -4.065) 4.651 10.173 ( -1.514 0.000 2.008) 2.515 10.690 ( -1.751 0.000 -4.717) 5.031 10.765 ( -2.006 0.000 4.046) 4.516 10.885 ( 0.082 0.000 -2.300) 2.301 10.894 ( -0.579 0.000 1.932) 2.017 11.264 ( -3.689 0.000 9.696) 10.374 11.334 ( 0.454 0.000 -9.353) 9.364 12.017 ( 4.120 0.000 -7.710) 8.742 12.035 ( 1.430 0.000 9.377) 9.486 12.868 ( 2.425 0.000 -9.612) 9.913 12.910 ( 0.868 0.000 8.894) 8.936 13.022 ( -1.937 0.000 4.923) 5.291 13.033 ( 0.447 0.000 -4.841) 4.861 13.389 ( -4.737 0.000 -0.014) 4.737 13.436 ( -4.283 0.000 1.138) 4.432 13.612 ( 2.012 0.000 -1.402) 2.453 13.631 ( 1.658 0.000 -0.257) 1.678 14.684 ( -0.491 0.000 -1.971) 2.032 14.718 ( -1.603 0.000 2.499) 2.969 14.759 ( 1.455 0.000 0.493) 1.536 14.794 ( 1.628 0.000 -2.195) 2.733 15.121 ( -2.229 0.000 1.543) 2.711 15.130 ( -1.692 0.000 -0.475) 1.757 15.322 ( 0.462 0.000 1.699) 1.760 15.328 ( 1.177 0.000 -2.080) 2.390 15.563 ( -2.222 0.000 0.261) 2.237 15.569 ( -2.742 0.000 1.351) 3.057 15.661 ( 2.292 0.000 0.055) 2.293 15.714 ( 4.344 0.000 -3.045) 5.305 15.768 ( -1.220 0.000 -0.171) 1.231 15.834 ( 0.538 0.000 2.061) 2.130 16.129 ( 0.387 0.000 -2.520) 2.550 16.144 ( 0.111 0.000 1.148) 1.154 17.487 ( -1.607 0.000 4.080) 4.385 17.503 ( -0.692 0.000 -2.612) 2.702 17.651 ( -0.009 0.000 2.336) 2.336 17.705 ( 1.102 0.000 -1.936) 2.228 17.782 ( -0.326 0.000 -1.696) 1.727 17.836 ( 0.005 0.000 1.386) 1.386 18.012 ( 1.083 0.000 -1.237) 1.644 18.025 ( 1.077 0.000 0.339) 1.129 26.534 ( 0.830 0.000 -2.228) 2.378 26.550 ( 0.069 0.000 2.211) 2.212 26.566 ( -1.623 0.000 3.069) 3.472 26.708 ( -1.134 0.000 -0.745) 1.357 26.769 ( 2.971 0.000 -3.454) 4.556 26.827 ( -0.446 0.000 0.657) 0.794 26.880 ( -1.843 0.000 -1.207) 2.203 26.969 ( 0.156 0.000 3.086) 3.090 27.229 ( 1.316 0.000 -1.815) 2.242 27.235 ( 0.827 0.000 2.230) 2.379 27.525 ( 0.266 0.000 3.682) 3.691 27.536 ( 2.488 0.000 -3.218) 4.068 27.711 ( 1.195 0.000 4.483) 4.640 27.776 ( 3.319 0.000 -4.955) 5.964 27.870 ( -1.230 0.000 2.074) 2.412 27.980 ( -5.775 0.000 -2.943) 6.482 28.063 ( 4.735 0.000 -0.219) 4.740 28.184 ( -3.113 0.000 2.733) 4.143 28.475 ( 8.349 0.000 -0.303) 8.354 28.488 ( 4.793 0.000 0.564) 4.826 28.865 ( -2.217 0.000 2.057) 3.025 28.927 ( 2.707 0.000 -2.349) 3.584 29.140 ( -3.041 0.000 -14.917) 15.224 29.195 ( -4.687 0.000 11.482) 12.402 30.692 ( -0.917 0.000 -3.883) 3.990 30.742 ( -0.559 0.000 3.238) 3.286 30.951 ( -6.713 0.000 8.513) 10.841 31.015 ( -3.180 0.000 -10.282) 10.762 31.422 ( 5.953 0.000 -1.643) 6.176 31.576 ( 7.882 0.000 5.251) 9.471 32.124 ( -7.093 0.000 4.757) 8.540 32.196 ( -2.635 0.000 -4.367) 5.100 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -0.661 0.000 -13.776) 13.792 0.707 ( -10.465 0.000 6.635) 12.391 1.043 ( 1.215 0.000 1.347) 1.814 1.066 ( 1.135 0.000 -7.793) 7.875 1.073 ( -0.414 0.000 5.366) 5.382 1.123 ( -5.278 0.000 1.095) 5.391 1.208 ( 0.755 0.000 -0.790) 1.093 1.249 ( -3.754 0.000 -1.213) 3.945 1.303 ( 2.632 0.000 -2.043) 3.332 1.348 ( 0.174 0.000 -0.168) 0.242 1.411 ( -0.501 0.000 0.537) 0.734 1.417 ( 0.928 0.000 3.268) 3.397 1.455 ( -0.633 0.000 3.603) 3.658 1.478 ( 1.036 0.000 -2.070) 2.314 1.539 ( 3.267 0.000 -0.245) 3.276 1.650 ( -4.896 0.000 0.126) 4.898 1.668 ( -0.724 0.000 2.360) 2.469 1.702 ( -3.694 0.000 0.011) 3.694 1.840 ( 1.129 0.000 -3.573) 3.747 1.854 ( -1.040 0.000 0.991) 1.437 1.971 ( 0.843 0.000 6.707) 6.760 1.980 ( 1.926 0.000 -2.907) 3.487 1.994 ( 2.727 0.000 -0.052) 2.727 2.043 ( -2.625 0.000 0.773) 2.736 2.093 ( 1.305 0.000 -4.751) 4.927 2.112 ( -0.309 0.000 -1.834) 1.859 2.225 ( 2.946 0.000 7.788) 8.327 2.290 ( 1.254 0.000 -8.961) 9.048 2.481 ( 0.369 0.000 -2.300) 2.329 2.485 ( -0.471 0.000 1.473) 1.547 2.705 ( 4.138 0.000 -5.353) 6.765 2.749 ( -1.342 0.000 7.069) 7.195 2.945 ( 1.586 0.000 1.331) 2.070 2.960 ( -0.196 0.000 0.824) 0.847 3.099 ( 6.983 0.000 -6.390) 9.466 3.108 ( 0.217 0.000 3.954) 3.960 3.215 ( -2.331 0.000 0.998) 2.536 3.281 ( -0.109 0.000 -1.837) 1.840 3.377 ( 0.256 0.000 0.741) 0.784 3.430 ( -0.971 0.000 3.288) 3.428 3.497 ( 1.653 0.000 -5.930) 6.156 3.520 ( -2.768 0.000 7.975) 8.441 3.612 ( 0.855 0.000 -2.306) 2.459 3.633 ( -0.391 0.000 -0.658) 0.765 3.688 ( 1.762 0.000 5.603) 5.874 3.694 ( 0.495 0.000 1.061) 1.171 3.762 ( 1.982 0.000 -1.712) 2.619 3.882 ( -5.919 0.000 -5.617) 8.160 3.988 ( 6.296 0.000 -5.067) 8.082 4.030 ( -0.559 0.000 3.152) 3.201 4.240 ( 5.725 0.000 -6.236) 8.465 4.330 ( -3.879 0.000 5.446) 6.686 4.395 ( 0.196 0.000 -0.991) 1.010 4.444 ( -4.053 0.000 5.351) 6.713 4.596 ( 2.431 0.000 -0.380) 2.461 4.646 ( 2.907 0.000 1.473) 3.259 4.651 ( -1.808 0.000 -0.305) 1.833 4.712 ( -1.344 0.000 -1.541) 2.045 4.800 ( 6.131 0.000 -2.548) 6.639 4.887 ( -1.547 0.000 -1.136) 1.919 5.074 ( 1.401 0.000 -1.871) 2.337 5.084 ( -0.631 0.000 5.770) 5.804 5.496 ( -0.047 0.000 1.287) 1.288 5.530 ( -2.809 0.000 -0.239) 2.819 5.751 ( -2.267 0.000 -5.138) 5.616 5.771 ( -5.643 0.000 3.668) 6.730 6.056 ( 3.191 0.000 4.322) 5.373 6.081 ( 2.307 0.000 -4.847) 5.368 6.737 ( 0.130 0.000 1.408) 1.414 6.746 ( -0.538 0.000 0.641) 0.837 7.580 ( 6.080 0.000 -3.430) 6.981 7.645 ( 2.517 0.000 1.649) 3.009 7.711 ( -5.358 0.000 3.678) 6.499 7.721 ( -2.431 0.000 -2.181) 3.266 8.088 ( -0.578 0.000 3.122) 3.175 8.101 ( -0.638 0.000 -3.147) 3.211 9.084 ( 0.822 0.000 -4.340) 4.417 9.097 ( -1.736 0.000 3.898) 4.267 9.593 ( 2.586 0.000 1.975) 3.254 9.648 ( -1.591 0.000 -0.157) 1.598 9.759 ( 4.141 0.000 4.225) 5.916 9.866 ( -2.956 0.000 -5.222) 6.001 10.080 ( 0.752 0.000 -0.531) 0.920 10.125 ( -2.977 0.000 -0.017) 2.977 10.671 ( 1.404 0.000 -3.493) 3.764 10.714 ( -3.524 0.000 3.337) 4.853 10.881 ( 0.265 0.000 -2.001) 2.018 10.885 ( -0.731 0.000 1.694) 1.845 11.256 ( -0.577 0.000 9.669) 9.686 11.294 ( -0.761 0.000 -9.380) 9.411 12.072 ( 3.349 0.000 -8.263) 8.916 12.081 ( -0.457 0.000 9.183) 9.194 12.902 ( 3.899 0.000 -9.380) 10.158 12.940 ( -2.066 0.000 9.209) 9.438 13.010 ( -0.251 0.000 5.207) 5.213 13.025 ( 0.454 0.000 -5.280) 5.300 13.316 ( -1.423 0.000 -0.525) 1.516 13.345 ( -4.044 0.000 0.799) 4.122 13.643 ( 1.194 0.000 -0.993) 1.553 13.651 ( 0.224 0.000 0.250) 0.336 14.678 ( 0.621 0.000 -2.236) 2.321 14.692 ( -1.499 0.000 2.342) 2.781 14.793 ( 1.321 0.000 0.621) 1.460 14.809 ( 0.294 0.000 -1.531) 1.559 15.089 ( -1.058 0.000 1.535) 1.864 15.095 ( -1.177 0.000 -0.836) 1.444 15.336 ( 0.172 0.000 2.040) 2.048 15.340 ( 0.577 0.000 -2.248) 2.320 15.530 ( -0.741 0.000 -0.658) 0.991 15.532 ( -1.214 0.000 1.244) 1.738 15.707 ( 2.202 0.000 -0.642) 2.294 15.743 ( -1.501 0.000 0.895) 1.748 15.786 ( 3.535 0.000 -3.648) 5.080 15.830 ( -1.815 0.000 3.165) 3.649 16.135 ( 0.948 0.000 -2.303) 2.491 16.145 ( -0.512 0.000 1.462) 1.549 17.478 ( -0.461 0.000 2.324) 2.369 17.483 ( -0.374 0.000 -1.275) 1.328 17.662 ( 0.405 0.000 1.303) 1.364 17.683 ( -1.374 0.000 -1.347) 1.924 17.805 ( 1.916 0.000 -1.166) 2.243 17.830 ( -0.906 0.000 1.048) 1.385 18.033 ( 1.078 0.000 -1.164) 1.586 18.040 ( 0.101 0.000 0.647) 0.655 26.551 ( 1.429 0.000 -2.465) 2.849 26.561 ( 0.073 0.000 2.990) 2.990 26.573 ( 1.095 0.000 2.061) 2.334 26.635 ( -3.709 0.000 -1.625) 4.049 26.808 ( -0.228 0.000 -0.044) 0.232 26.809 ( -0.717 0.000 -0.280) 0.770 26.892 ( 3.773 0.000 -3.114) 4.893 26.953 ( -2.723 0.000 3.138) 4.155 27.251 ( 1.234 0.000 -2.147) 2.477 27.255 ( 0.076 0.000 2.533) 2.534 27.564 ( 2.041 0.000 2.996) 3.625 27.583 ( 2.077 0.000 -3.293) 3.893 27.769 ( 1.578 0.000 7.348) 7.515 27.799 ( 0.699 0.000 -5.333) 5.379 27.851 ( -1.940 0.000 2.461) 3.134 27.860 ( -2.995 0.000 -3.857) 4.884 28.141 ( 1.571 0.000 -0.935) 1.828 28.144 ( -0.552 0.000 1.220) 1.339 28.591 ( 4.912 0.000 0.177) 4.915 28.631 ( 3.525 0.000 1.154) 3.709 28.849 ( 1.593 0.000 5.790) 6.005 28.982 ( -3.342 0.000 -7.881) 8.560 29.010 ( 2.442 0.000 -8.692) 9.029 29.110 ( -6.488 0.000 7.790) 10.138 30.688 ( 2.335 0.000 -5.732) 6.190 30.729 ( -2.624 0.000 5.852) 6.414 30.870 ( -2.644 0.000 6.918) 7.406 30.908 ( -3.126 0.000 -8.002) 8.591 31.584 ( 9.109 0.000 -2.073) 9.342 31.698 ( -0.251 0.000 4.140) 4.148 32.018 ( -1.822 0.000 3.239) 3.716 32.093 ( -5.429 0.000 -3.378) 6.394 ======================= Grid point 106 (58/63) ======================= q-point: ( 0.00 0.25 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -6.466 -6.389 -7.065) 11.513 0.903 ( 6.466 -6.389 7.065) 11.513 0.970 ( -0.348 -3.708 -3.731) 5.272 0.970 ( 0.348 -3.708 3.731) 5.272 1.147 ( -0.051 2.545 -0.521) 2.598 1.147 ( 0.051 2.545 0.521) 2.598 1.234 ( 0.311 -4.757 -2.769) 5.513 1.234 ( -0.311 -4.757 2.769) 5.513 1.338 ( -4.259 -1.308 -2.614) 5.165 1.338 ( 4.259 -1.308 2.614) 5.165 1.383 ( -1.420 -2.080 -4.161) 4.863 1.383 ( 1.420 -2.080 4.161) 4.863 1.441 ( -1.905 -3.187 -3.109) 4.843 1.441 ( 1.905 -3.187 3.109) 4.843 1.516 ( 0.283 -3.185 -2.695) 4.182 1.516 ( -0.283 -3.185 2.695) 4.182 1.753 ( -0.728 0.564 -2.550) 2.711 1.753 ( 0.728 0.564 2.550) 2.711 1.853 ( -1.873 0.385 -1.738) 2.584 1.853 ( 1.873 0.385 1.738) 2.584 1.915 ( 2.333 -1.342 -2.510) 3.680 1.915 ( -2.333 -1.342 2.510) 3.680 2.096 ( -1.219 3.542 -2.143) 4.315 2.096 ( 1.219 3.542 2.143) 4.315 2.118 ( 2.105 3.155 -3.386) 5.085 2.118 ( -2.105 3.155 3.386) 5.085 2.209 ( 0.437 -1.220 -2.771) 3.059 2.209 ( -0.437 -1.220 2.771) 3.059 2.550 ( -0.807 7.506 -5.631) 9.418 2.550 ( 0.807 7.506 5.631) 9.418 2.738 ( 0.623 8.323 -0.808) 8.385 2.738 ( -0.623 8.323 0.808) 8.385 2.867 ( -2.265 -0.228 -4.157) 4.739 2.867 ( 2.265 -0.228 4.157) 4.739 3.031 ( 0.132 0.616 -2.684) 2.757 3.031 ( -0.132 0.616 2.684) 2.757 3.249 ( -3.797 -2.259 -3.984) 5.949 3.249 ( 3.797 -2.259 3.984) 5.949 3.325 ( 0.579 -1.080 -2.657) 2.926 3.325 ( -0.579 -1.080 2.657) 2.926 3.488 ( -3.472 2.168 -5.026) 6.482 3.488 ( 3.472 2.168 5.026) 6.482 3.547 ( -0.711 -3.815 -1.393) 4.123 3.547 ( 0.711 -3.815 1.393) 4.123 3.661 ( -0.159 0.083 -3.166) 3.171 3.661 ( 0.159 0.083 3.166) 3.171 3.829 ( 0.465 0.223 -0.937) 1.070 3.829 ( -0.465 0.223 0.937) 1.070 4.069 ( -1.410 -2.269 -3.625) 4.503 4.069 ( 1.410 -2.269 3.625) 4.503 4.219 ( 0.877 -2.465 -5.905) 6.458 4.219 ( -0.877 -2.465 5.905) 6.458 4.406 ( 0.289 -5.177 -0.681) 5.230 4.406 ( -0.289 -5.177 0.681) 5.230 4.574 ( -0.728 -0.017 -1.118) 1.334 4.574 ( 0.728 -0.017 1.118) 1.334 4.648 ( -0.962 2.981 -1.152) 3.337 4.648 ( 0.962 2.981 1.152) 3.337 4.824 ( -1.748 -0.478 -1.659) 2.457 4.824 ( 1.748 -0.478 1.659) 2.457 5.095 ( 0.855 4.007 -3.040) 5.102 5.095 ( -0.855 4.007 3.040) 5.102 5.576 ( -5.785 -7.309 1.665) 9.469 5.576 ( 5.785 -7.309 -1.665) 9.469 5.762 ( 2.246 -1.638 -3.234) 4.265 5.762 ( -2.246 -1.638 3.234) 4.265 5.987 ( -0.959 -0.856 -0.723) 1.475 5.987 ( 0.959 -0.856 0.723) 1.475 6.842 ( -3.425 7.320 -0.909) 8.133 6.842 ( 3.425 7.320 0.909) 8.133 7.575 ( -1.469 4.506 -4.718) 6.687 7.575 ( 1.469 4.506 4.718) 6.687 7.818 ( -1.497 2.231 0.019) 2.687 7.818 ( 1.497 2.231 -0.019) 2.687 8.054 ( 1.552 -6.006 -2.924) 6.858 8.054 ( -1.552 -6.006 2.924) 6.858 9.196 ( 0.659 6.106 -4.513) 7.622 9.196 ( -0.659 6.106 4.513) 7.622 9.519 ( -1.553 -1.766 -1.697) 2.900 9.519 ( 1.553 -1.766 1.697) 2.900 9.837 ( -2.959 1.035 -3.533) 4.723 9.837 ( 2.959 1.035 3.533) 4.723 10.095 ( -0.954 -5.329 -3.937) 6.693 10.095 ( 0.954 -5.329 3.937) 6.693 10.730 ( -1.683 -1.235 -2.857) 3.539 10.730 ( 1.683 -1.235 2.857) 3.539 10.884 ( 0.142 -0.530 -1.796) 1.877 10.884 ( -0.142 -0.530 1.796) 1.877 11.361 ( 2.490 2.448 -5.893) 6.850 11.361 ( -2.490 2.448 5.893) 6.850 12.019 ( -0.539 2.260 -6.010) 6.444 12.019 ( 0.539 2.260 6.010) 6.444 12.881 ( 0.807 1.203 -7.659) 7.795 12.881 ( -0.807 1.203 7.659) 7.795 13.013 ( 1.268 -2.155 -4.710) 5.333 13.013 ( -1.268 -2.155 4.710) 5.333 13.461 ( -1.668 -0.477 -0.344) 1.769 13.461 ( 1.668 -0.477 0.344) 1.769 13.602 ( -0.510 0.356 -0.378) 0.728 13.602 ( 0.510 0.356 0.378) 0.728 14.715 ( -1.194 0.430 -1.298) 1.815 14.715 ( 1.194 0.430 1.298) 1.815 14.753 ( 1.312 -0.831 -1.555) 2.198 14.753 ( -1.312 -0.831 1.555) 2.198 15.152 ( 0.334 0.225 -0.826) 0.918 15.152 ( -0.334 0.225 0.826) 0.918 15.313 ( 0.309 -0.070 -1.167) 1.209 15.313 ( -0.309 -0.070 1.167) 1.209 15.584 ( -0.036 -0.944 -1.403) 1.691 15.584 ( 0.036 -0.944 1.403) 1.691 15.682 ( 1.341 2.556 -2.323) 3.705 15.682 ( -1.341 2.556 2.323) 3.705 15.807 ( -1.502 0.719 -1.073) 1.981 15.807 ( 1.502 0.719 1.073) 1.981 16.031 ( -0.364 -7.832 -1.604) 8.003 16.031 ( 0.364 -7.832 1.604) 8.003 17.547 ( -0.113 1.918 -3.926) 4.371 17.547 ( 0.113 1.918 3.926) 4.371 17.669 ( -3.325 0.889 -2.356) 4.171 17.669 ( 3.325 0.889 2.356) 4.171 17.824 ( -2.799 0.711 -1.893) 3.453 17.824 ( 2.799 0.711 1.893) 3.453 18.009 ( -0.823 0.141 -0.853) 1.194 18.009 ( 0.823 0.141 0.853) 1.194 26.554 ( -0.624 1.516 -1.899) 2.509 26.554 ( 0.624 1.516 1.899) 2.509 26.624 ( 3.661 -0.846 -1.640) 4.100 26.624 ( -3.661 -0.846 1.640) 4.100 26.804 ( -1.568 -0.024 -1.128) 1.932 26.804 ( 1.568 -0.024 1.128) 1.932 26.914 ( -1.849 -1.349 -1.483) 2.727 26.914 ( 1.849 -1.349 1.483) 2.727 27.219 ( 0.115 -0.041 -1.492) 1.497 27.219 ( -0.115 -0.041 1.492) 1.497 27.534 ( 1.105 1.203 -2.733) 3.184 27.534 ( -1.105 1.203 2.733) 3.184 27.710 ( 2.869 -0.561 -2.862) 4.091 27.710 ( -2.869 -0.561 2.862) 4.091 27.932 ( -3.082 0.813 -0.310) 3.203 27.932 ( 3.082 0.813 0.310) 3.203 28.158 ( -3.937 0.010 -3.524) 5.284 28.158 ( 3.937 0.010 3.524) 5.284 28.400 ( -0.951 -0.304 -2.325) 2.531 28.400 ( 0.951 -0.304 2.325) 2.531 28.942 ( 1.911 3.800 -4.444) 6.152 28.942 ( -1.911 3.800 4.444) 6.152 29.167 ( 1.469 -3.578 -12.669) 13.246 29.167 ( -1.469 -3.578 12.669) 13.246 30.733 ( -2.255 0.361 -2.388) 3.304 30.733 ( 2.255 0.361 2.388) 3.304 31.031 ( 1.123 -0.876 -6.329) 6.487 31.031 ( -1.123 -0.876 6.329) 6.487 31.449 ( -3.867 2.402 -2.672) 5.279 31.449 ( 3.867 2.402 2.672) 5.279 32.192 ( 2.107 -1.571 -3.759) 4.587 32.192 ( -2.107 -1.571 3.759) 4.587 ======================= Grid point 108 (59/63) ======================= q-point: ( 0.20 0.25 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -6.680 -3.855 -10.860) 13.320 0.836 ( -7.628 -5.330 3.839) 10.066 0.987 ( -0.904 -5.050 -0.919) 5.212 1.019 ( 1.753 -5.478 2.080) 6.116 1.122 ( 0.165 3.239 -0.064) 3.243 1.174 ( -2.227 -1.196 -4.851) 5.470 1.211 ( 0.922 1.690 2.183) 2.911 1.254 ( 0.324 -3.938 0.469) 3.979 1.289 ( 2.088 -1.735 -0.405) 2.744 1.305 ( -4.096 -0.745 -2.098) 4.662 1.383 ( -2.075 -0.025 -2.866) 3.538 1.400 ( -0.097 -1.759 4.437) 4.774 1.435 ( 2.091 -2.133 2.219) 3.721 1.458 ( -2.401 -1.618 1.163) 3.120 1.521 ( 1.171 -2.676 3.340) 4.437 1.591 ( 6.286 -5.785 0.551) 8.561 1.674 ( -4.936 1.889 -1.832) 5.594 1.782 ( -0.790 -2.166 -0.601) 2.383 1.800 ( 0.337 -0.480 -0.839) 1.024 1.855 ( -4.244 -0.960 2.470) 5.003 1.909 ( 0.398 0.279 -1.621) 1.692 1.950 ( 1.515 0.195 0.052) 1.529 2.000 ( -3.135 1.950 -1.362) 3.935 2.104 ( -0.075 0.735 -1.872) 2.013 2.117 ( -0.135 3.901 0.534) 3.940 2.168 ( -0.151 1.844 -3.093) 3.604 2.205 ( -1.016 -0.750 4.336) 4.516 2.232 ( 4.853 -0.305 -6.947) 8.480 2.517 ( 0.893 7.187 -2.917) 7.807 2.592 ( 0.792 7.595 1.811) 7.848 2.738 ( 1.908 7.757 -1.873) 8.205 2.804 ( 2.980 5.927 1.357) 6.772 2.848 ( 1.926 -4.071 -0.889) 4.591 2.934 ( 1.984 3.180 4.041) 5.512 3.042 ( 0.874 0.798 2.427) 2.700 3.103 ( 3.169 -6.206 1.135) 7.060 3.170 ( -1.735 2.748 1.770) 3.701 3.270 ( -0.301 -1.240 5.480) 5.626 3.349 ( -0.979 -0.551 -0.172) 1.136 3.413 ( 2.589 -0.856 -8.636) 9.056 3.419 ( 4.836 -3.054 -2.963) 6.442 3.488 ( -1.020 -2.548 -1.584) 3.169 3.565 ( 1.117 -2.532 2.970) 4.059 3.598 ( -0.896 -2.904 -0.906) 3.171 3.655 ( -1.041 -0.331 2.712) 2.924 3.708 ( 6.221 3.912 2.329) 7.709 3.821 ( -1.039 3.490 -0.863) 3.743 3.852 ( 3.748 -0.887 -1.348) 4.081 3.965 ( -4.261 -2.690 -2.829) 5.779 4.116 ( 0.920 4.151 0.220) 4.257 4.228 ( 1.055 2.982 -4.370) 5.395 4.261 ( 1.940 -7.960 3.244) 8.812 4.385 ( -1.372 -4.315 2.320) 5.087 4.410 ( -0.725 -5.062 2.855) 5.856 4.487 ( -1.944 -0.934 0.332) 2.182 4.611 ( 1.138 0.514 -1.881) 2.258 4.656 ( 1.183 2.747 1.800) 3.491 4.735 ( 2.167 -2.256 0.509) 3.169 4.813 ( 3.094 3.971 -3.699) 6.247 4.874 ( 2.895 -0.369 -1.897) 3.481 5.067 ( -1.564 3.769 4.163) 5.829 5.123 ( 0.413 3.381 2.922) 4.488 5.502 ( -1.442 -2.555 0.497) 2.976 5.629 ( -6.254 0.321 1.539) 6.449 5.713 ( 6.177 -8.145 -3.701) 10.871 5.831 ( 1.709 -5.849 -1.538) 6.285 5.933 ( -3.036 2.118 1.570) 4.021 6.026 ( 1.833 -1.382 -0.779) 2.424 6.739 ( -5.258 4.546 0.198) 6.953 6.855 ( -2.537 3.944 0.212) 4.694 7.554 ( 1.180 3.709 -3.912) 5.518 7.640 ( 2.868 3.858 3.533) 5.966 7.771 ( -3.172 1.958 0.734) 3.799 7.828 ( -0.717 3.073 -0.248) 3.165 8.023 ( -1.808 -6.374 3.271) 7.389 8.061 ( -0.037 -5.149 -2.690) 5.810 9.170 ( -1.219 5.453 -0.427) 5.603 9.193 ( -0.893 5.813 -0.959) 5.958 9.529 ( 2.356 -1.029 1.857) 3.172 9.601 ( 4.847 -0.937 4.758) 6.856 9.759 ( -3.145 1.319 -3.598) 4.957 9.905 ( 2.152 1.597 1.340) 2.997 10.034 ( -3.039 -6.001 -4.707) 8.209 10.095 ( -1.764 -5.578 1.717) 6.097 10.691 ( -0.443 1.034 -1.292) 1.713 10.771 ( 0.539 -0.603 1.487) 1.692 10.877 ( -0.155 -0.485 -0.840) 0.982 10.886 ( -0.327 -0.611 1.359) 1.526 11.324 ( -2.379 4.040 5.580) 7.288 11.375 ( 0.543 2.642 -6.229) 6.788 11.967 ( -0.812 -0.599 -1.163) 1.540 12.067 ( 0.477 -0.368 1.669) 1.774 12.882 ( 1.381 1.115 -4.345) 4.693 12.912 ( 1.234 0.571 3.831) 4.065 12.996 ( -1.456 -2.083 4.055) 4.786 13.021 ( 0.671 -1.264 -3.370) 3.662 13.396 ( -3.672 1.009 0.443) 3.834 13.446 ( -2.965 0.227 0.973) 3.128 13.615 ( 1.763 0.317 -1.256) 2.187 13.630 ( 1.548 -0.124 -0.528) 1.640 14.690 ( -0.544 0.604 -1.460) 1.671 14.716 ( -1.427 -0.249 1.701) 2.234 14.759 ( 1.549 0.027 0.653) 1.681 14.780 ( 1.513 -1.036 -1.641) 2.461 15.128 ( -2.009 0.446 1.193) 2.379 15.133 ( -1.654 0.247 -0.477) 1.739 15.319 ( 0.369 -0.170 1.052) 1.128 15.323 ( 0.803 -0.370 -1.321) 1.589 15.551 ( -1.085 0.570 0.499) 1.323 15.608 ( -0.880 0.553 0.485) 1.147 15.657 ( 0.925 1.267 0.269) 1.592 15.736 ( 3.274 1.190 -2.651) 4.377 15.770 ( -1.546 0.624 0.205) 1.680 15.838 ( 0.470 0.438 1.780) 1.893 16.022 ( 0.318 -7.955 -2.566) 8.365 16.042 ( 0.128 -7.645 1.189) 7.738 17.524 ( -0.790 1.629 -1.583) 2.404 17.558 ( -1.615 4.885 2.684) 5.803 17.606 ( -0.414 -2.473 -0.220) 2.518 17.735 ( -0.868 -3.102 -0.094) 3.223 17.780 ( 1.799 5.048 0.027) 5.359 17.876 ( 1.498 2.349 0.890) 2.925 18.001 ( 0.549 -0.616 -1.440) 1.659 18.031 ( 0.945 -0.076 -0.140) 0.959 26.542 ( 0.344 0.694 -1.182) 1.413 26.560 ( -1.171 0.327 1.792) 2.165 26.585 ( 0.451 1.976 1.793) 2.706 26.692 ( 0.245 -1.599 -0.444) 1.677 26.769 ( 0.529 0.106 -2.163) 2.230 26.811 ( -1.059 -1.340 0.277) 1.730 26.884 ( -0.263 0.660 -0.892) 1.140 26.953 ( 0.873 -1.471 2.200) 2.787 27.222 ( 0.757 -0.386 -0.772) 1.148 27.230 ( 0.703 -0.325 0.975) 1.245 27.518 ( -0.812 -0.059 2.189) 2.335 27.547 ( 0.633 -0.104 1.067) 1.245 27.711 ( 2.304 0.858 0.293) 2.476 27.773 ( 3.751 -0.457 -4.486) 5.865 27.892 ( -1.137 2.015 1.710) 2.877 27.985 ( -2.567 -0.535 -0.782) 2.737 28.080 ( 1.651 1.976 -0.587) 2.641 28.178 ( -2.115 -0.901 2.048) 3.079 28.461 ( 6.107 -0.807 -0.004) 6.160 28.480 ( 5.800 -0.828 0.390) 5.872 28.901 ( -2.833 3.196 2.624) 5.012 28.975 ( 2.437 3.503 -3.839) 5.740 29.102 ( -3.914 -3.158 -7.412) 8.957 29.158 ( -2.752 -2.952 4.674) 6.176 30.664 ( -2.823 -0.597 -2.070) 3.551 30.746 ( -2.521 -2.222 2.367) 4.110 30.950 ( -2.073 3.490 0.949) 4.169 31.082 ( -0.322 2.033 -2.381) 3.147 31.434 ( 3.729 1.817 -0.937) 4.253 31.568 ( 5.775 -1.261 3.480) 6.860 32.118 ( -5.856 -0.225 3.579) 6.866 32.173 ( -2.676 -1.900 -2.868) 4.359 ======================= Grid point 109 (60/63) ======================= q-point: ( 0.40 0.25 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.979 1.496 -9.109) 9.441 0.711 ( -6.775 0.956 6.011) 9.108 0.964 ( 0.762 -6.800 0.708) 6.879 1.024 ( -2.682 -8.214 0.943) 8.692 1.086 ( -1.229 1.816 -3.110) 3.805 1.118 ( -1.850 2.727 -1.667) 3.693 1.230 ( -0.088 1.326 2.587) 2.909 1.244 ( -0.538 0.011 -4.268) 4.302 1.308 ( 3.268 -3.394 4.624) 6.601 1.336 ( 2.522 -2.140 -3.564) 4.862 1.357 ( -0.047 1.918 0.280) 1.938 1.394 ( -3.440 -1.548 1.066) 3.920 1.420 ( 1.113 -0.442 3.575) 3.771 1.488 ( -1.049 0.204 -0.576) 1.214 1.530 ( 2.035 0.413 0.221) 2.088 1.597 ( -1.457 -3.378 0.207) 3.685 1.670 ( -0.528 -0.194 0.947) 1.102 1.713 ( -4.791 -0.450 -1.259) 4.974 1.809 ( 3.265 -7.807 1.881) 8.669 1.849 ( 1.859 0.975 2.080) 2.955 1.883 ( -1.794 -2.154 -1.029) 2.986 1.915 ( -3.630 -2.552 -3.459) 5.626 2.006 ( 2.484 -0.229 -0.172) 2.501 2.059 ( -2.563 -0.746 -1.806) 3.223 2.125 ( 0.806 2.078 -0.357) 2.257 2.150 ( -1.162 2.109 -2.283) 3.318 2.239 ( 1.938 0.364 7.668) 7.917 2.277 ( 1.407 -0.830 -7.728) 7.899 2.556 ( 3.062 7.930 -2.014) 8.736 2.598 ( -1.190 8.438 1.789) 8.707 2.777 ( 3.501 5.489 -4.951) 8.179 2.831 ( -2.353 5.635 5.852) 8.458 2.914 ( 3.832 -3.851 -3.117) 6.263 2.952 ( -1.170 0.190 3.240) 3.450 3.061 ( 1.385 -4.367 1.995) 4.997 3.112 ( -1.988 -9.952 0.285) 10.152 3.194 ( 2.337 5.167 2.704) 6.282 3.262 ( -3.155 2.810 -1.852) 4.613 3.359 ( 3.445 -0.484 2.473) 4.268 3.423 ( -0.764 -0.931 -3.713) 3.903 3.444 ( 2.339 -3.971 -2.194) 5.104 3.520 ( -3.936 -2.349 -0.217) 4.589 3.555 ( 4.047 -1.337 -2.294) 4.841 3.617 ( -3.519 1.129 4.869) 6.113 3.660 ( 5.381 -3.063 3.079) 6.915 3.774 ( -2.584 2.151 -2.308) 4.078 3.810 ( 1.585 2.394 -2.226) 3.633 3.842 ( -2.277 -1.484 0.135) 2.721 4.036 ( 8.349 4.779 -3.763) 10.330 4.117 ( -1.369 6.390 1.818) 6.783 4.228 ( 0.759 -0.198 -1.281) 1.502 4.265 ( -2.194 -2.559 2.333) 4.100 4.384 ( 0.901 -2.822 0.271) 2.974 4.410 ( -1.577 -4.062 4.173) 6.033 4.525 ( 5.959 -5.531 -1.830) 8.333 4.632 ( 0.278 -3.290 -3.883) 5.097 4.656 ( -1.277 3.029 1.186) 3.495 4.700 ( -3.858 -0.147 2.716) 4.720 4.897 ( 3.700 3.672 -2.402) 5.739 4.920 ( 1.527 4.867 -1.382) 5.285 5.076 ( 2.076 1.247 0.345) 2.446 5.123 ( -2.167 1.911 5.275) 6.014 5.508 ( 1.226 0.303 0.265) 1.291 5.543 ( -2.463 0.557 0.101) 2.527 5.730 ( 1.097 -0.731 -3.965) 4.178 5.814 ( -6.411 3.497 1.965) 7.563 5.960 ( 6.203 -6.577 0.360) 9.048 6.041 ( -1.058 -3.905 -0.826) 4.130 6.686 ( 0.567 -1.462 1.537) 2.195 6.762 ( -5.286 -1.173 -1.196) 5.545 7.595 ( 3.923 1.390 -3.280) 5.299 7.671 ( -3.200 -1.874 2.201) 4.313 7.733 ( 1.482 6.760 2.316) 7.298 7.789 ( -2.533 4.416 -1.114) 5.211 8.017 ( 0.015 -5.429 3.544) 6.483 8.040 ( -0.829 -4.873 -3.234) 5.907 9.155 ( -0.112 5.005 0.389) 5.021 9.167 ( -0.944 5.054 -1.085) 5.255 9.604 ( 3.580 1.037 3.133) 4.869 9.684 ( -3.134 2.251 -3.300) 5.077 9.736 ( 6.094 -1.332 6.372) 8.917 9.876 ( -4.716 0.315 -6.003) 7.640 10.002 ( 1.409 -5.461 0.638) 5.675 10.049 ( -2.578 -5.077 -0.182) 5.697 10.708 ( 2.106 2.857 -0.496) 3.583 10.755 ( -2.190 2.075 0.691) 3.095 10.874 ( 0.252 -0.491 -1.166) 1.290 10.880 ( -0.659 -0.474 1.340) 1.567 11.316 ( -0.401 4.626 6.503) 7.990 11.346 ( -0.754 4.041 -6.806) 7.951 11.987 ( 2.676 -4.779 -0.682) 5.519 12.046 ( -2.695 -4.336 0.964) 5.195 12.902 ( 1.850 -0.047 -3.712) 4.148 12.926 ( -1.339 -1.070 3.338) 3.752 13.003 ( 0.635 -0.363 4.069) 4.135 13.020 ( 0.362 -0.576 -3.558) 3.623 13.348 ( -0.582 2.637 0.281) 2.716 13.379 ( -3.158 2.119 0.339) 3.819 13.643 ( 1.083 0.048 -0.836) 1.369 13.650 ( 0.337 -0.125 -0.012) 0.359 14.684 ( 0.431 0.597 -1.622) 1.781 14.695 ( -1.111 0.262 1.656) 2.011 14.789 ( 0.936 -0.402 0.802) 1.296 14.797 ( 0.531 -0.924 -1.332) 1.706 15.096 ( -1.093 0.555 1.160) 1.688 15.100 ( -1.051 0.397 -0.701) 1.324 15.329 ( 0.075 -0.476 1.341) 1.425 15.331 ( 0.388 -0.587 -1.475) 1.634 15.548 ( 0.641 2.072 -0.052) 2.169 15.574 ( -1.872 2.631 0.531) 3.272 15.698 ( 2.314 -0.583 -0.586) 2.457 15.738 ( -1.816 -0.445 0.863) 2.059 15.794 ( 3.051 0.726 -3.253) 4.518 15.833 ( -1.664 0.290 2.892) 3.349 16.029 ( 1.111 -7.836 -2.599) 8.330 16.042 ( -0.702 -7.667 1.730) 7.891 17.509 ( -0.048 1.765 -0.799) 1.938 17.522 ( -1.564 2.712 0.550) 3.178 17.633 ( 1.716 -1.259 2.398) 3.206 17.683 ( -2.349 -1.423 -2.221) 3.532 17.844 ( 2.560 4.214 1.889) 5.280 17.884 ( -0.717 4.021 -0.982) 4.201 18.020 ( 1.320 -1.215 -0.390) 1.836 18.038 ( -0.265 -0.665 -0.388) 0.814 26.560 ( 1.610 0.744 -0.681) 1.900 26.572 ( 1.524 0.498 1.134) 1.964 26.590 ( -0.639 1.646 1.543) 2.345 26.637 ( -3.481 0.037 -0.974) 3.615 26.785 ( 0.128 -1.716 -0.459) 1.781 26.788 ( -0.701 -1.646 -0.054) 1.790 26.909 ( 2.800 1.308 -2.090) 3.731 26.952 ( -1.719 -0.208 2.238) 2.830 27.241 ( 1.053 -0.628 -0.869) 1.503 27.247 ( 0.269 -0.598 1.095) 1.277 27.531 ( 1.644 -1.745 -0.010) 2.398 27.559 ( -0.776 -2.399 2.509) 3.557 27.780 ( 4.295 1.736 -1.340) 4.823 27.824 ( 2.870 0.655 -3.061) 4.247 27.861 ( -3.409 1.521 2.655) 4.581 27.888 ( -4.269 1.475 -0.567) 4.552 28.139 ( 1.684 0.216 0.100) 1.701 28.153 ( -0.282 0.330 0.315) 0.537 28.579 ( 4.922 -0.934 0.718) 5.061 28.606 ( 3.754 -1.822 0.878) 4.264 28.868 ( 0.123 1.694 3.822) 4.182 28.968 ( -6.062 -1.866 -7.326) 9.690 29.025 ( 3.826 1.758 -3.704) 5.608 29.098 ( -4.263 -1.011 3.766) 5.777 30.630 ( 0.581 -2.368 -2.067) 3.197 30.674 ( -4.034 -3.844 2.141) 5.970 30.959 ( 1.958 7.143 1.425) 7.543 31.024 ( -3.497 6.200 -1.892) 7.366 31.561 ( 7.464 -1.504 -1.221) 7.711 31.653 ( -0.321 -3.822 2.664) 4.670 32.030 ( -1.802 1.004 2.471) 3.219 32.082 ( -4.544 -0.926 -2.188) 5.128 ======================= Grid point 112 (61/63) ======================= q-point: ( 0.00 -0.50 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.000 0.000 0.000) 0.000 0.829 ( -0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 1.137 ( -0.000 0.000 0.000) 0.000 1.137 ( -0.000 0.000 0.000) 0.000 1.232 ( -0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.291 ( -0.000 -0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.422 ( -0.000 0.000 -0.000) 0.000 1.422 ( 0.000 0.000 -0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 -0.000 0.000) 0.000 1.891 ( -0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 -0.000 -0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 0.000) 0.000 2.734 ( -0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.753 ( -0.000 -0.000 -0.000) 0.000 2.753 ( 0.000 -0.000 0.000) 0.000 2.924 ( 0.000 -0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.987 ( -0.000 0.000 0.000) 0.000 2.987 ( -0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.276 ( -0.000 0.000 0.000) 0.000 3.341 ( 0.000 -0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.383 ( -0.000 -0.000 0.000) 0.000 3.383 ( -0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.572 ( -0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.848 ( -0.000 0.000 0.000) 0.000 3.848 ( -0.000 0.000 0.000) 0.000 3.989 ( 0.000 -0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 -0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.299 ( -0.000 -0.000 0.000) 0.000 4.299 ( -0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.819 ( -0.000 -0.000 0.000) 0.000 4.819 ( -0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.476 ( -0.000 -0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.739 ( -0.000 -0.000 0.000) 0.000 5.739 ( -0.000 0.000 0.000) 0.000 5.973 ( -0.000 0.000 0.000) 0.000 5.973 ( -0.000 0.000 0.000) 0.000 6.939 ( -0.000 0.000 0.000) 0.000 6.939 ( -0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 -0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.927 ( -0.000 -0.000 0.000) 0.000 7.927 ( -0.000 0.000 0.000) 0.000 9.300 ( -0.000 0.000 0.000) 0.000 9.300 ( -0.000 0.000 0.000) 0.000 9.476 ( -0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.855 ( -0.000 -0.000 0.000) 0.000 9.855 ( -0.000 0.000 0.000) 0.000 10.016 ( -0.000 0.000 0.000) 0.000 10.016 ( -0.000 0.000 0.000) 0.000 10.716 ( -0.000 0.000 0.000) 0.000 10.716 ( -0.000 0.000 0.000) 0.000 10.877 ( -0.000 -0.000 0.000) 0.000 10.877 ( -0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.919 ( -0.000 -0.000 0.000) 0.000 12.919 ( -0.000 0.000 0.000) 0.000 12.963 ( 0.000 -0.000 -0.000) 0.000 12.963 ( 0.000 0.000 -0.000) 0.000 13.455 ( 0.000 0.000 0.000) 0.000 13.455 ( -0.000 0.000 0.000) 0.000 13.606 ( -0.000 0.000 0.000) 0.000 13.606 ( -0.000 0.000 0.000) 0.000 14.722 ( -0.000 -0.000 -0.000) 0.000 14.722 ( -0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 15.155 ( -0.000 0.000 0.000) 0.000 15.155 ( -0.000 0.000 0.000) 0.000 15.312 ( 0.000 0.000 0.000) 0.000 15.312 ( -0.000 0.000 0.000) 0.000 15.575 ( -0.000 -0.000 0.000) 0.000 15.575 ( -0.000 0.000 0.000) 0.000 15.718 ( -0.000 -0.000 0.000) 0.000 15.718 ( -0.000 0.000 0.000) 0.000 15.838 ( -0.000 -0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 15.900 ( -0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 17.687 ( -0.000 0.000 0.000) 0.000 17.687 ( -0.000 0.000 0.000) 0.000 17.838 ( 0.000 0.000 0.000) 0.000 17.838 ( 0.000 0.000 0.000) 0.000 18.010 ( -0.000 0.000 0.000) 0.000 18.010 ( -0.000 0.000 0.000) 0.000 26.587 ( -0.000 0.000 0.000) 0.000 26.587 ( 0.000 0.000 0.000) 0.000 26.599 ( -0.000 -0.000 0.000) 0.000 26.599 ( 0.000 0.000 0.000) 0.000 26.805 ( 0.000 0.000 0.000) 0.000 26.805 ( -0.000 0.000 0.000) 0.000 26.894 ( -0.000 -0.000 0.000) 0.000 26.894 ( -0.000 0.000 0.000) 0.000 27.218 ( 0.000 0.000 0.000) 0.000 27.218 ( -0.000 0.000 0.000) 0.000 27.551 ( -0.000 0.000 0.000) 0.000 27.551 ( 0.000 0.000 0.000) 0.000 27.701 ( -0.000 -0.000 0.000) 0.000 27.701 ( -0.000 0.000 0.000) 0.000 27.946 ( -0.000 0.000 0.000) 0.000 27.946 ( -0.000 0.000 0.000) 0.000 28.156 ( -0.000 0.000 0.000) 0.000 28.156 ( 0.000 0.000 0.000) 0.000 28.396 ( -0.000 0.000 0.000) 0.000 28.396 ( 0.000 0.000 0.000) 0.000 29.014 ( 0.000 0.000 -0.000) 0.000 29.014 ( -0.000 0.000 0.000) 0.000 29.099 ( -0.000 0.000 0.000) 0.000 29.099 ( -0.000 0.000 0.000) 0.000 30.739 ( 0.000 0.000 0.000) 0.000 30.739 ( 0.000 0.000 0.000) 0.000 31.019 ( 0.000 -0.000 0.000) 0.000 31.019 ( 0.000 0.000 0.000) 0.000 31.482 ( 0.000 0.000 0.000) 0.000 31.482 ( -0.000 0.000 0.000) 0.000 32.169 ( 0.000 0.000 0.000) 0.000 32.169 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 116 (62/63) ======================= q-point: ( 0.20 -0.50 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -4.057 -4.574 -0.715) 6.156 0.734 ( -4.057 4.574 -0.715) 6.156 0.900 ( -1.945 -2.573 2.487) 4.073 0.900 ( -1.945 2.573 2.487) 4.073 1.149 ( 1.330 -2.592 -4.787) 5.604 1.149 ( 1.330 2.592 -4.787) 5.604 1.248 ( -0.476 -3.872 -0.907) 4.006 1.248 ( -0.476 3.872 -0.907) 4.006 1.307 ( 2.419 -5.192 0.774) 5.780 1.307 ( 2.419 5.192 0.774) 5.780 1.331 ( -0.993 -2.829 -0.893) 3.129 1.331 ( -0.993 2.829 -0.893) 3.129 1.442 ( -0.001 -0.502 3.144) 3.184 1.442 ( -0.001 0.502 3.144) 3.184 1.492 ( 2.580 -3.731 1.371) 4.739 1.492 ( 2.580 3.731 1.371) 4.739 1.755 ( -3.034 -3.229 0.319) 4.442 1.755 ( -3.034 3.229 0.319) 4.442 1.798 ( -2.231 -2.826 -0.224) 3.608 1.798 ( -2.231 2.826 -0.224) 3.608 1.928 ( 0.797 -1.396 -1.665) 2.314 1.928 ( 0.797 1.396 -1.665) 2.314 2.069 ( -3.842 -3.281 -2.026) 5.443 2.069 ( -3.842 3.281 -2.026) 5.443 2.169 ( 0.049 -1.883 1.862) 2.649 2.169 ( 0.049 1.883 1.862) 2.649 2.214 ( 2.580 -1.538 -3.448) 4.572 2.214 ( 2.580 1.538 -3.448) 4.572 2.714 ( 0.702 -7.838 -1.622) 8.035 2.714 ( 0.702 7.838 -1.622) 8.035 2.793 ( 1.483 -7.742 2.940) 8.413 2.793 ( 1.483 7.742 2.940) 8.413 2.902 ( 0.074 -7.599 -3.587) 8.403 2.902 ( 0.074 7.599 -3.587) 8.403 3.017 ( -0.784 -2.210 5.905) 6.353 3.017 ( -0.784 2.210 5.905) 6.353 3.288 ( 0.671 -3.487 0.588) 3.599 3.288 ( 0.671 3.487 0.588) 3.599 3.330 ( 1.023 -1.313 0.185) 1.675 3.330 ( 1.023 1.313 0.185) 1.675 3.430 ( 2.806 -4.436 -1.896) 5.581 3.430 ( 2.806 4.436 -1.896) 5.581 3.524 ( -1.174 -3.841 -4.385) 5.946 3.524 ( -1.174 3.841 -4.385) 5.946 3.717 ( 3.918 -3.283 1.300) 5.275 3.717 ( 3.918 3.283 1.300) 5.275 3.835 ( -1.478 -2.106 0.640) 2.651 3.835 ( -1.478 2.106 0.640) 2.651 4.047 ( 5.367 -8.638 0.532) 10.183 4.047 ( 5.367 8.638 0.532) 10.183 4.257 ( -0.827 -6.402 1.429) 6.611 4.257 ( -0.827 6.402 1.429) 6.611 4.308 ( 0.144 -4.023 1.322) 4.237 4.308 ( 0.144 4.023 1.322) 4.237 4.549 ( -1.410 -5.011 -2.191) 5.648 4.549 ( -1.410 5.011 -2.191) 5.648 4.694 ( 1.405 -0.977 2.385) 2.935 4.694 ( 1.405 0.977 2.385) 2.935 4.861 ( 4.419 -1.035 -2.642) 5.251 4.861 ( 4.419 1.035 -2.642) 5.251 5.158 ( -1.459 -1.880 4.475) 5.068 5.158 ( -1.459 1.880 4.475) 5.068 5.510 ( 2.449 -4.788 -0.243) 5.383 5.510 ( 2.449 4.788 -0.243) 5.383 5.714 ( -0.282 -4.491 -2.701) 5.248 5.714 ( -0.282 4.491 -2.701) 5.248 5.980 ( -0.136 -2.293 0.398) 2.331 5.980 ( -0.136 2.293 0.398) 2.331 6.856 ( -7.138 -3.903 -0.947) 8.190 6.856 ( -7.138 3.903 -0.947) 8.190 7.638 ( -0.374 -3.285 -0.756) 3.391 7.638 ( -0.374 3.285 -0.756) 3.391 7.879 ( -0.780 -5.899 3.069) 6.696 7.879 ( -0.780 5.899 3.069) 6.696 7.929 ( 0.017 -5.936 -1.490) 6.120 7.929 ( 0.017 5.936 -1.490) 6.120 9.266 ( -2.151 -1.412 -0.816) 2.699 9.266 ( -2.151 1.412 -0.816) 2.699 9.539 ( 4.550 -2.989 2.831) 6.136 9.539 ( 4.550 2.989 2.831) 6.136 9.850 ( -0.627 -6.260 -1.191) 6.403 9.850 ( -0.627 6.260 -1.191) 6.403 9.994 ( -1.692 -3.154 -0.671) 3.642 9.994 ( -1.692 3.154 -0.671) 3.642 10.733 ( 1.430 -2.367 0.321) 2.784 10.733 ( 1.430 2.367 0.321) 2.784 10.875 ( -0.289 -0.310 0.530) 0.679 10.875 ( -0.289 0.310 0.530) 0.679 11.391 ( 0.227 -1.568 -0.521) 1.668 11.391 ( 0.227 1.568 -0.521) 1.668 12.013 ( -3.235 -3.720 -0.299) 4.939 12.013 ( -3.235 3.720 -0.299) 4.939 12.912 ( -0.600 -1.544 0.955) 1.912 12.912 ( -0.600 1.544 0.955) 1.912 12.981 ( 1.473 -1.738 -0.592) 2.354 12.981 ( 1.473 1.738 -0.592) 2.354 13.430 ( -2.103 -1.601 0.915) 2.797 13.430 ( -2.103 1.601 0.915) 2.797 13.624 ( 1.475 -0.411 -0.940) 1.797 13.624 ( 1.475 0.411 -0.940) 1.797 14.706 ( -0.712 -0.685 -0.186) 1.006 14.706 ( -0.712 0.685 -0.186) 1.006 14.762 ( 1.294 -0.412 0.041) 1.359 14.762 ( 1.294 0.412 0.041) 1.359 15.135 ( -1.664 -0.181 0.180) 1.684 15.135 ( -1.664 0.181 0.180) 1.684 15.318 ( 0.372 -0.079 -0.060) 0.385 15.318 ( 0.372 0.079 -0.060) 0.385 15.582 ( 0.645 -1.854 0.228) 1.976 15.582 ( 0.645 1.854 0.228) 1.976 15.718 ( -0.077 -2.723 -0.059) 2.725 15.718 ( -0.077 2.723 -0.059) 2.725 15.828 ( -0.482 -3.523 -0.592) 3.605 15.828 ( -0.482 3.523 -0.592) 3.605 15.911 ( 0.731 -1.882 0.005) 2.019 15.911 ( 0.731 1.882 0.005) 2.019 17.559 ( -0.399 -1.789 -0.951) 2.065 17.559 ( -0.399 1.789 -0.951) 2.065 17.659 ( -1.892 -3.990 0.976) 4.522 17.659 ( -1.892 3.990 0.976) 4.522 17.878 ( 2.947 -2.959 0.928) 4.278 17.878 ( 2.947 2.959 0.928) 4.278 18.010 ( 0.124 -1.535 -1.127) 1.909 18.010 ( 0.124 1.535 -1.127) 1.909 26.557 ( -0.537 -0.516 0.317) 0.809 26.557 ( -0.537 0.516 0.317) 0.809 26.641 ( 1.159 -2.808 0.486) 3.076 26.641 ( 1.159 2.808 0.486) 3.076 26.781 ( -1.565 -1.113 -0.436) 1.969 26.781 ( -1.565 1.113 -0.436) 1.969 26.913 ( 1.379 -1.900 0.280) 2.365 26.913 ( 1.379 1.900 0.280) 2.365 27.222 ( 0.451 -0.313 0.122) 0.562 27.222 ( 0.451 0.313 0.122) 0.562 27.529 ( -1.630 -1.028 2.469) 3.132 27.529 ( -1.630 1.028 2.469) 3.132 27.748 ( 3.942 -1.850 -3.213) 5.411 27.748 ( 3.942 1.850 -3.213) 5.411 27.947 ( -0.919 -2.615 0.776) 2.878 27.947 ( -0.919 2.615 0.776) 2.878 28.137 ( -0.651 -2.691 0.553) 2.823 28.137 ( -0.651 2.691 0.553) 2.823 28.459 ( 5.317 -0.732 0.221) 5.371 28.459 ( 5.317 0.732 0.221) 5.371 28.987 ( -2.711 -3.898 -0.042) 4.748 28.987 ( -2.711 3.898 -0.042) 4.748 29.085 ( -0.717 -3.209 -2.029) 3.863 29.085 ( -0.717 3.209 -2.029) 3.863 30.684 ( -4.059 -2.336 -0.128) 4.685 30.684 ( -4.059 2.336 -0.128) 4.685 31.053 ( 2.101 -4.211 0.281) 4.715 31.053 ( 2.101 4.211 0.281) 4.715 31.508 ( 2.377 -3.996 0.629) 4.692 31.508 ( 2.377 3.996 0.629) 4.692 32.131 ( -3.561 -1.523 0.520) 3.908 32.131 ( -3.561 1.523 0.520) 3.908 ======================= Grid point 118 (63/63) ======================= q-point: ( 0.40 -0.50 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 2.758 -5.015 1.217) 5.852 0.730 ( 2.758 5.015 1.217) 5.852 0.845 ( -3.296 -3.727 0.750) 5.032 0.845 ( -3.296 3.727 0.750) 5.032 1.132 ( -0.924 -1.498 -3.651) 4.053 1.132 ( -0.924 1.498 -3.651) 4.053 1.239 ( 0.562 -0.609 -1.180) 1.441 1.239 ( 0.562 0.609 -1.180) 1.441 1.319 ( -0.834 -2.810 2.220) 3.677 1.319 ( -0.834 2.810 2.220) 3.677 1.349 ( 0.876 -2.203 -0.838) 2.515 1.349 ( 0.876 2.203 -0.838) 2.515 1.470 ( 1.491 -0.648 1.831) 2.449 1.470 ( 1.491 0.648 1.831) 2.449 1.563 ( 3.664 -5.890 3.045) 7.576 1.563 ( 3.664 5.890 3.045) 7.576 1.672 ( -3.373 -5.693 0.743) 6.659 1.672 ( -3.373 5.693 0.743) 6.659 1.738 ( -4.027 -4.397 -4.819) 7.666 1.738 ( -4.027 4.397 -4.819) 7.666 1.906 ( -0.988 -1.725 0.784) 2.137 1.906 ( -0.988 1.725 0.784) 2.137 2.018 ( -0.677 -1.980 -1.879) 2.813 2.018 ( -0.677 1.980 -1.879) 2.813 2.167 ( -0.302 -1.144 1.209) 1.692 2.167 ( -0.302 1.144 1.209) 1.692 2.252 ( 1.496 -1.297 -1.828) 2.695 2.252 ( 1.496 1.297 -1.828) 2.695 2.758 ( 3.398 -8.926 -0.831) 9.587 2.758 ( 3.398 8.926 -0.831) 9.587 2.813 ( -1.189 -8.890 2.005) 9.191 2.813 ( -1.189 8.890 2.005) 9.191 2.910 ( 2.160 -4.053 -4.712) 6.580 2.910 ( 2.160 4.053 -4.712) 6.580 2.980 ( -3.697 -2.530 5.490) 7.086 2.980 ( -3.697 2.530 5.490) 7.086 3.311 ( 1.400 -4.552 0.263) 4.769 3.311 ( 1.400 4.552 0.263) 4.769 3.343 ( -0.971 -3.546 1.481) 3.963 3.343 ( -0.971 3.546 1.481) 3.963 3.458 ( 1.199 -2.435 -3.865) 4.723 3.458 ( 1.199 2.435 -3.865) 4.723 3.564 ( 5.276 -2.916 -0.906) 6.096 3.564 ( 5.276 2.916 -0.906) 6.096 3.705 ( -4.810 -4.953 -0.281) 6.910 3.705 ( -4.810 4.953 -0.281) 6.910 3.849 ( 1.603 -1.118 1.824) 2.673 3.849 ( 1.603 1.118 1.824) 2.673 4.169 ( 4.466 -5.777 -1.177) 7.396 4.169 ( 4.466 5.777 -1.177) 7.396 4.259 ( 1.062 -4.322 2.088) 4.916 4.259 ( 1.062 4.322 2.088) 4.916 4.307 ( -1.148 -3.478 2.127) 4.235 4.307 ( -1.148 3.478 2.127) 4.235 4.516 ( -0.446 -4.567 -3.889) 6.015 4.516 ( -0.446 4.567 -3.889) 6.015 4.702 ( -1.138 -0.749 2.417) 2.775 4.702 ( -1.138 0.749 2.417) 2.775 4.960 ( 4.853 -1.416 -2.907) 5.831 4.960 ( 4.853 1.416 -2.907) 5.831 5.130 ( -2.472 -1.938 4.215) 5.257 5.130 ( -2.472 1.938 4.215) 5.257 5.521 ( -0.807 -1.663 -0.205) 1.859 5.521 ( -0.807 1.663 -0.205) 1.859 5.783 ( 6.854 -5.411 -1.560) 8.870 5.783 ( 6.854 5.411 -1.560) 8.870 5.942 ( -3.918 -4.549 0.171) 6.006 5.942 ( -3.918 4.549 0.171) 6.006 6.706 ( -5.259 -2.922 -0.567) 6.043 6.706 ( -5.259 2.922 -0.567) 6.043 7.629 ( -0.213 -1.782 -0.360) 1.831 7.629 ( -0.213 1.782 -0.360) 1.831 7.884 ( 0.226 -5.844 2.835) 6.499 7.884 ( 0.226 5.844 2.835) 6.499 7.914 ( -0.659 -5.792 -1.980) 6.156 7.914 ( -0.659 5.792 -1.980) 6.156 9.231 ( -0.904 -0.592 -0.326) 1.129 9.231 ( -0.904 0.592 -0.326) 1.129 9.645 ( 3.991 -2.996 2.788) 5.717 9.645 ( 3.991 2.996 2.788) 5.717 9.809 ( -2.395 -5.665 -2.222) 6.539 9.809 ( -2.395 5.665 -2.222) 6.539 9.966 ( -0.636 -2.184 -0.147) 2.279 9.966 ( -0.636 2.184 -0.147) 2.279 10.762 ( 0.962 -1.521 0.133) 1.805 10.762 ( 0.962 1.521 0.133) 1.805 10.870 ( -0.307 -0.245 0.402) 0.562 10.870 ( -0.307 0.245 0.402) 0.562 11.395 ( 0.250 -1.131 -0.347) 1.210 11.395 ( 0.250 1.131 -0.347) 1.210 11.950 ( -2.071 -2.440 -0.157) 3.205 11.950 ( -2.071 2.440 -0.157) 3.205 12.906 ( -0.202 -0.570 0.388) 0.719 12.906 ( -0.202 0.570 0.388) 0.719 13.005 ( 0.726 -0.561 -0.202) 0.939 13.005 ( 0.726 0.561 -0.202) 0.939 13.396 ( -1.067 -0.986 0.471) 1.527 13.396 ( -1.067 0.986 0.471) 1.527 13.646 ( 0.676 -0.196 -0.471) 0.847 13.646 ( 0.676 0.196 -0.471) 0.847 14.697 ( -0.153 -0.298 -0.087) 0.347 14.697 ( -0.153 0.298 -0.087) 0.347 14.782 ( 0.539 -0.105 0.000) 0.550 14.782 ( 0.539 0.105 0.000) 0.550 15.105 ( -0.979 -0.095 0.106) 0.989 15.105 ( -0.979 0.095 0.106) 0.989 15.323 ( 0.134 -0.041 -0.025) 0.143 15.323 ( 0.134 0.041 -0.025) 0.143 15.597 ( 0.538 -1.418 0.055) 1.518 15.597 ( 0.538 1.418 0.055) 1.518 15.712 ( -0.361 -1.993 0.197) 2.035 15.712 ( -0.361 1.993 0.197) 2.035 15.824 ( 0.184 -1.895 -0.622) 2.003 15.824 ( 0.184 1.895 -0.622) 2.003 15.921 ( 0.185 -0.949 0.113) 0.974 15.921 ( 0.185 0.949 0.113) 0.974 17.542 ( -0.623 -0.958 -0.663) 1.321 17.542 ( -0.623 0.958 -0.663) 1.321 17.640 ( -0.402 -1.866 0.667) 2.022 17.640 ( -0.402 1.866 0.667) 2.022 17.937 ( 1.926 -2.276 1.183) 3.208 17.937 ( 1.926 2.276 1.183) 3.208 18.002 ( -0.437 -1.785 -1.297) 2.250 18.002 ( -0.437 1.785 -1.297) 2.250 26.574 ( 1.898 -0.366 0.254) 1.950 26.574 ( 1.898 0.366 0.254) 1.950 26.627 ( -2.297 -1.229 0.291) 2.621 26.627 ( -2.297 1.229 0.291) 2.621 26.761 ( -0.241 -0.168 -0.272) 0.400 26.761 ( -0.241 0.168 -0.272) 0.400 26.938 ( 0.714 -1.131 0.038) 1.339 26.938 ( 0.714 1.131 0.038) 1.339 27.236 ( 0.636 -0.243 0.080) 0.686 27.236 ( 0.636 0.243 0.080) 0.686 27.517 ( -0.400 -0.773 1.558) 1.785 27.517 ( -0.400 0.773 1.558) 1.785 27.817 ( 3.897 -1.187 -3.085) 5.110 27.817 ( 3.897 1.187 -3.085) 5.110 27.896 ( -3.872 -0.923 1.553) 4.273 27.896 ( -3.872 0.923 1.553) 4.273 28.150 ( 0.932 -0.587 0.285) 1.138 28.150 ( 0.932 0.587 0.285) 1.138 28.573 ( 4.249 -0.783 0.855) 4.404 28.573 ( 4.249 0.783 0.855) 4.404 28.916 ( -3.016 -2.532 -0.833) 4.026 28.916 ( -3.016 2.532 -0.833) 4.026 29.068 ( -0.308 -1.804 -1.059) 2.115 29.068 ( -0.308 1.804 -1.059) 2.115 30.616 ( -1.979 -1.120 -0.035) 2.274 30.616 ( -1.979 1.120 -0.035) 2.274 31.080 ( 0.504 -2.229 0.230) 2.297 31.080 ( 0.504 2.229 0.230) 2.297 31.566 ( 2.282 -2.812 0.306) 3.634 31.566 ( 2.282 2.812 0.306) 3.634 32.057 ( -2.777 -1.322 0.329) 3.093 32.057 ( -2.777 1.322 0.329) 3.093 =================== 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 3/24960 10.0 3.665 4.365 4.737 0.000 0.949 0.000 3/24960 20.0 1.482 1.729 2.614 0.000 0.087 0.000 3/24960 30.0 0.966 1.161 2.009 0.000 -0.052 0.000 3/24960 40.0 0.732 0.895 1.652 0.000 -0.087 0.000 3/24960 50.0 0.597 0.735 1.398 0.000 -0.095 0.000 3/24960 60.0 0.507 0.628 1.210 0.000 -0.094 0.000 3/24960 70.0 0.442 0.552 1.068 0.000 -0.090 0.000 3/24960 80.0 0.393 0.495 0.958 0.000 -0.086 0.000 3/24960 90.0 0.354 0.451 0.872 0.000 -0.082 0.000 3/24960 100.0 0.322 0.416 0.803 0.000 -0.078 0.000 3/24960 110.0 0.296 0.387 0.746 0.000 -0.074 0.000 3/24960 120.0 0.273 0.362 0.698 0.000 -0.071 0.000 3/24960 130.0 0.254 0.341 0.657 0.000 -0.068 0.000 3/24960 140.0 0.238 0.323 0.621 0.000 -0.066 0.000 3/24960 150.0 0.224 0.307 0.590 0.000 -0.063 0.000 3/24960 160.0 0.211 0.293 0.562 0.000 -0.061 0.000 3/24960 170.0 0.200 0.280 0.536 0.000 -0.059 0.000 3/24960 180.0 0.190 0.268 0.514 0.000 -0.057 0.000 3/24960 190.0 0.181 0.258 0.493 0.000 -0.055 0.000 3/24960 200.0 0.173 0.248 0.474 0.000 -0.053 0.000 3/24960 210.0 0.166 0.239 0.456 0.000 -0.051 0.000 3/24960 220.0 0.159 0.231 0.440 0.000 -0.049 0.000 3/24960 230.0 0.153 0.223 0.425 0.000 -0.048 0.000 3/24960 240.0 0.147 0.216 0.411 0.000 -0.046 0.000 3/24960 250.0 0.142 0.209 0.398 0.000 -0.045 0.000 3/24960 260.0 0.137 0.203 0.386 0.000 -0.044 0.000 3/24960 270.0 0.133 0.197 0.374 0.000 -0.043 0.000 3/24960 280.0 0.129 0.192 0.364 0.000 -0.041 0.000 3/24960 290.0 0.125 0.187 0.353 0.000 -0.040 0.000 3/24960 300.0 0.122 0.182 0.344 0.000 -0.039 0.000 3/24960 310.0 0.118 0.177 0.335 0.000 -0.038 0.000 3/24960 320.0 0.115 0.173 0.326 0.000 -0.037 0.000 3/24960 330.0 0.112 0.169 0.318 0.000 -0.036 0.000 3/24960 340.0 0.110 0.165 0.310 0.000 -0.035 0.000 3/24960 350.0 0.107 0.161 0.303 0.000 -0.035 0.000 3/24960 360.0 0.104 0.158 0.296 0.000 -0.034 0.000 3/24960 370.0 0.102 0.154 0.289 0.000 -0.033 0.000 3/24960 380.0 0.100 0.151 0.283 0.000 -0.032 0.000 3/24960 390.0 0.098 0.148 0.277 0.000 -0.032 0.000 3/24960 400.0 0.096 0.145 0.271 0.000 -0.031 0.000 3/24960 410.0 0.094 0.142 0.265 0.000 -0.030 0.000 3/24960 420.0 0.092 0.139 0.260 0.000 -0.030 0.000 3/24960 430.0 0.090 0.136 0.255 0.000 -0.029 0.000 3/24960 440.0 0.088 0.134 0.250 0.000 -0.028 0.000 3/24960 450.0 0.087 0.131 0.245 0.000 -0.028 0.000 3/24960 460.0 0.085 0.129 0.240 0.000 -0.027 0.000 3/24960 470.0 0.083 0.127 0.236 0.000 -0.027 0.000 3/24960 480.0 0.082 0.125 0.232 0.000 -0.026 0.000 3/24960 490.0 0.080 0.122 0.228 0.000 -0.026 0.000 3/24960 500.0 0.079 0.120 0.224 0.000 -0.025 0.000 3/24960 510.0 0.078 0.118 0.220 0.000 -0.025 0.000 3/24960 520.0 0.076 0.116 0.216 0.000 -0.024 0.000 3/24960 530.0 0.075 0.114 0.212 0.000 -0.024 0.000 3/24960 540.0 0.074 0.113 0.209 0.000 -0.024 0.000 3/24960 550.0 0.073 0.111 0.205 0.000 -0.023 0.000 3/24960 560.0 0.072 0.109 0.202 0.000 -0.023 0.000 3/24960 570.0 0.071 0.107 0.199 0.000 -0.022 0.000 3/24960 580.0 0.070 0.106 0.196 0.000 -0.022 0.000 3/24960 590.0 0.068 0.104 0.193 0.000 -0.022 0.000 3/24960 600.0 0.067 0.103 0.190 0.000 -0.021 0.000 3/24960 610.0 0.066 0.101 0.187 0.000 -0.021 0.000 3/24960 620.0 0.066 0.100 0.185 0.000 -0.021 0.000 3/24960 630.0 0.065 0.098 0.182 0.000 -0.020 0.000 3/24960 640.0 0.064 0.097 0.179 0.000 -0.020 0.000 3/24960 650.0 0.063 0.096 0.177 0.000 -0.020 0.000 3/24960 660.0 0.062 0.094 0.174 0.000 -0.020 0.000 3/24960 670.0 0.061 0.093 0.172 0.000 -0.019 0.000 3/24960 680.0 0.060 0.092 0.170 0.000 -0.019 0.000 3/24960 690.0 0.060 0.091 0.167 0.000 -0.019 0.000 3/24960 700.0 0.059 0.090 0.165 0.000 -0.019 0.000 3/24960 710.0 0.058 0.088 0.163 0.000 -0.018 0.000 3/24960 720.0 0.057 0.087 0.161 0.000 -0.018 0.000 3/24960 730.0 0.057 0.086 0.159 0.000 -0.018 0.000 3/24960 740.0 0.056 0.085 0.157 0.000 -0.018 0.000 3/24960 750.0 0.055 0.084 0.155 0.000 -0.017 0.000 3/24960 760.0 0.055 0.083 0.153 0.000 -0.017 0.000 3/24960 770.0 0.054 0.082 0.151 0.000 -0.017 0.000 3/24960 780.0 0.053 0.081 0.149 0.000 -0.017 0.000 3/24960 790.0 0.053 0.080 0.148 0.000 -0.016 0.000 3/24960 800.0 0.052 0.079 0.146 0.000 -0.016 0.000 3/24960 810.0 0.051 0.078 0.144 0.000 -0.016 0.000 3/24960 820.0 0.051 0.078 0.143 0.000 -0.016 0.000 3/24960 830.0 0.050 0.077 0.141 0.000 -0.016 0.000 3/24960 840.0 0.050 0.076 0.139 0.000 -0.016 0.000 3/24960 850.0 0.049 0.075 0.138 0.000 -0.015 0.000 3/24960 860.0 0.049 0.074 0.136 0.000 -0.015 0.000 3/24960 870.0 0.048 0.073 0.135 0.000 -0.015 0.000 3/24960 880.0 0.048 0.073 0.133 0.000 -0.015 0.000 3/24960 890.0 0.047 0.072 0.132 0.000 -0.015 0.000 3/24960 900.0 0.047 0.071 0.131 0.000 -0.015 0.000 3/24960 910.0 0.046 0.070 0.129 0.000 -0.014 0.000 3/24960 920.0 0.046 0.070 0.128 0.000 -0.014 0.000 3/24960 930.0 0.045 0.069 0.127 0.000 -0.014 0.000 3/24960 940.0 0.045 0.068 0.125 0.000 -0.014 0.000 3/24960 950.0 0.044 0.068 0.124 0.000 -0.014 0.000 3/24960 960.0 0.044 0.067 0.123 0.000 -0.014 0.000 3/24960 970.0 0.044 0.066 0.122 0.000 -0.014 0.000 3/24960 980.0 0.043 0.066 0.120 0.000 -0.013 0.000 3/24960 990.0 0.043 0.065 0.119 0.000 -0.013 0.000 3/24960 1000.0 0.042 0.064 0.118 0.000 -0.013 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m548.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:42:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|