----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] 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 7.300907520219395 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): *1 Y 0.22382124561202 0.59469912171384 0.69582717483952 88.906 *2 Y 0.58456632801826 0.38391696226426 0.91021854363949 88.906 *3 Y 0.09113718411894 0.36770451705447 0.94136307117173 88.906 4 Y 0.58456632801826 0.11608303773574 0.41021854363949 88.906 5 Y 0.22382124561202 0.90530087828616 0.19582717483952 88.906 6 Y 0.77617875438798 0.09469912171384 0.80417282516048 88.906 *7 Y 0.73326843363525 0.61378275575370 0.71504173361308 88.906 8 Y 0.73326843363525 0.88621724424630 0.21504173361308 88.906 9 Y 0.26673156636475 0.11378275575370 0.78495826638692 88.906 10 Y 0.09113718411894 0.13229548294553 0.44136307117173 88.906 11 Y 0.26673156636475 0.38621724424630 0.28495826638692 88.906 12 Y 0.90886281588106 0.86770451705447 0.55863692882827 88.906 13 Y 0.41543367198174 0.88391696226426 0.58978145636051 88.906 14 Y 0.41543367198174 0.61608303773574 0.08978145636051 88.906 15 Y 0.77617875438798 0.40530087828616 0.30417282516048 88.906 16 Y 0.90886281588106 0.63229548294553 0.05863692882827 88.906 *17 Al 0.41264174407743 0.32079779957143 0.61445076568298 26.982 18 Al 0.58735825592257 0.82079779957143 0.88554923431702 26.982 19 Al 0.58735825592257 0.67920220042857 0.38554923431702 26.982 *20 Al 0.95289268058459 0.17376418378659 0.12338843160133 26.982 21 Al 0.04710731941541 0.67376418378658 0.37661156839867 26.982 22 Al 0.04710731941541 0.82623581621342 0.87661156839867 26.982 23 Al 0.95289268058459 0.32623581621342 0.62338843160133 26.982 24 Al 0.41264174407743 0.17920220042857 0.11445076568298 26.982 *25 O 0.53373270426997 0.27091448603142 0.24774292354501 15.999 *26 O 0.97584584638746 0.25750190242031 0.26633946005374 15.999 27 O 0.97584584638746 0.24249809757969 0.76633946005374 15.999 *28 O 0.47556064632812 0.02294691621622 0.17215368381884 15.999 29 O 0.46626729573003 0.77091448603142 0.25225707645499 15.999 *30 O 0.18048520281343 0.76358251632447 0.02385170335981 15.999 31 O 0.52443935367188 0.52294691621622 0.32784631618116 15.999 *32 O 0.81917812616209 0.72439586013291 0.38341040019607 15.999 *33 O 0.06799310931733 0.99212352010388 0.85898157174772 15.999 34 O 0.02415415361254 0.74249809757969 0.73366053994626 15.999 35 O 0.47556064632812 0.47705308378378 0.67215368381884 15.999 36 O 0.06799310931733 0.50787647989612 0.35898157174772 15.999 37 O 0.18048520281343 0.73641748367553 0.52385170335981 15.999 38 O 0.18082187383791 0.27560413986709 0.61658959980393 15.999 39 O 0.93200689068267 0.49212352010388 0.64101842825228 15.999 *40 O 0.83422913803988 0.49986329192348 0.89139014057075 15.999 41 O 0.83422913803988 0.00013670807652 0.39139014057075 15.999 *42 O 0.38612810436844 0.26285593056154 0.46130728355601 15.999 43 O 0.93200689068267 0.00787647989612 0.14101842825228 15.999 44 O 0.53373270426997 0.22908551396858 0.74774292354501 15.999 45 O 0.52443935367188 0.97705308378378 0.82784631618116 15.999 46 O 0.46626729573003 0.72908551396858 0.75225707645499 15.999 47 O 0.02415415361254 0.75750190242031 0.23366053994626 15.999 *48 O 0.31080806398374 0.99605402543724 0.39403078950701 15.999 49 O 0.16577086196012 0.99986329192348 0.60860985942925 15.999 50 O 0.68919193601626 0.00394597456276 0.60596921049299 15.999 51 O 0.38612810436844 0.23714406943846 0.96130728355601 15.999 52 O 0.16577086196012 0.50013670807652 0.10860985942925 15.999 53 O 0.18082187383791 0.22439586013291 0.11658959980393 15.999 54 O 0.81951479718657 0.26358251632447 0.47614829664019 15.999 55 O 0.81917812616209 0.77560413986709 0.88341040019607 15.999 56 O 0.31080806398374 0.50394597456276 0.89403078950701 15.999 57 O 0.61387189563156 0.73714406943846 0.53869271644399 15.999 58 O 0.81951479718657 0.23641748367553 0.97614829664019 15.999 59 O 0.68919193601626 0.49605402543725 0.10596921049299 15.999 60 O 0.61387189563156 0.76285593056154 0.03869271644399 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.300907520219395 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): *1 Y 0.22382124561202 0.59469912171384 0.69582717483952 88.906 > 1 *2 Y 0.58456632801826 0.38391696226426 0.91021854363949 88.906 > 2 *3 Y 0.09113718411894 0.36770451705447 0.94136307117173 88.906 > 3 4 Y 0.58456632801826 0.11608303773574 0.41021854363949 88.906 > 4 5 Y 0.22382124561202 0.90530087828616 0.19582717483952 88.906 > 5 6 Y 0.77617875438798 0.09469912171384 0.80417282516048 88.906 > 6 *7 Y 0.73326843363525 0.61378275575370 0.71504173361308 88.906 > 7 8 Y 0.73326843363525 0.88621724424630 0.21504173361308 88.906 > 8 9 Y 0.26673156636475 0.11378275575370 0.78495826638692 88.906 > 9 10 Y 0.09113718411894 0.13229548294553 0.44136307117173 88.906 > 10 11 Y 0.26673156636475 0.38621724424630 0.28495826638692 88.906 > 11 12 Y 0.90886281588106 0.86770451705447 0.55863692882827 88.906 > 12 13 Y 0.41543367198174 0.88391696226426 0.58978145636051 88.906 > 13 14 Y 0.41543367198174 0.61608303773574 0.08978145636051 88.906 > 14 15 Y 0.77617875438798 0.40530087828616 0.30417282516048 88.906 > 15 16 Y 0.90886281588106 0.63229548294553 0.05863692882827 88.906 > 16 *17 Al 0.41264174407743 0.32079779957143 0.61445076568298 26.982 > 17 18 Al 0.58735825592257 0.82079779957143 0.88554923431702 26.982 > 18 19 Al 0.58735825592257 0.67920220042857 0.38554923431702 26.982 > 19 *20 Al 0.95289268058459 0.17376418378659 0.12338843160133 26.982 > 20 21 Al 0.04710731941541 0.67376418378658 0.37661156839867 26.982 > 21 22 Al 0.04710731941541 0.82623581621342 0.87661156839867 26.982 > 22 23 Al 0.95289268058459 0.32623581621342 0.62338843160133 26.982 > 23 24 Al 0.41264174407743 0.17920220042857 0.11445076568298 26.982 > 24 *25 O 0.53373270426997 0.27091448603142 0.24774292354501 15.999 > 25 *26 O 0.97584584638746 0.25750190242031 0.26633946005374 15.999 > 26 27 O 0.97584584638746 0.24249809757969 0.76633946005374 15.999 > 27 *28 O 0.47556064632812 0.02294691621622 0.17215368381884 15.999 > 28 29 O 0.46626729573003 0.77091448603142 0.25225707645499 15.999 > 29 *30 O 0.18048520281343 0.76358251632447 0.02385170335981 15.999 > 30 31 O 0.52443935367188 0.52294691621622 0.32784631618116 15.999 > 31 *32 O 0.81917812616209 0.72439586013291 0.38341040019607 15.999 > 32 *33 O 0.06799310931733 0.99212352010388 0.85898157174772 15.999 > 33 34 O 0.02415415361254 0.74249809757969 0.73366053994626 15.999 > 34 35 O 0.47556064632812 0.47705308378378 0.67215368381884 15.999 > 35 36 O 0.06799310931733 0.50787647989612 0.35898157174772 15.999 > 36 37 O 0.18048520281343 0.73641748367553 0.52385170335981 15.999 > 37 38 O 0.18082187383791 0.27560413986709 0.61658959980393 15.999 > 38 39 O 0.93200689068267 0.49212352010388 0.64101842825228 15.999 > 39 *40 O 0.83422913803988 0.49986329192348 0.89139014057075 15.999 > 40 41 O 0.83422913803988 0.00013670807652 0.39139014057075 15.999 > 41 *42 O 0.38612810436844 0.26285593056154 0.46130728355601 15.999 > 42 43 O 0.93200689068267 0.00787647989612 0.14101842825228 15.999 > 43 44 O 0.53373270426997 0.22908551396858 0.74774292354501 15.999 > 44 45 O 0.52443935367188 0.97705308378378 0.82784631618116 15.999 > 45 46 O 0.46626729573003 0.72908551396858 0.75225707645499 15.999 > 46 47 O 0.02415415361254 0.75750190242031 0.23366053994626 15.999 > 47 *48 O 0.31080806398374 0.99605402543724 0.39403078950701 15.999 > 48 49 O 0.16577086196012 0.99986329192348 0.60860985942925 15.999 > 49 50 O 0.68919193601626 0.00394597456276 0.60596921049299 15.999 > 50 51 O 0.38612810436844 0.23714406943846 0.96130728355601 15.999 > 51 52 O 0.16577086196012 0.50013670807652 0.10860985942925 15.999 > 52 53 O 0.18082187383791 0.22439586013291 0.11658959980393 15.999 > 53 54 O 0.81951479718657 0.26358251632447 0.47614829664019 15.999 > 54 55 O 0.81917812616209 0.77560413986709 0.88341040019607 15.999 > 55 56 O 0.31080806398374 0.50394597456276 0.89403078950701 15.999 > 56 57 O 0.61387189563156 0.73714406943846 0.53869271644399 15.999 > 57 58 O 0.81951479718657 0.23641748367553 0.97614829664019 15.999 > 58 59 O 0.68919193601626 0.49605402543725 0.10596921049299 15.999 > 59 60 O 0.61387189563156 0.76285593056154 0.03869271644399 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.601815040438790 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): *1 Y 0.11191062280601 0.59469912171384 0.69582717483952 88.906 > 1 2 Y 0.61191062280601 0.59469912171384 0.69582717483952 88.906 > 1 *3 Y 0.29228316400913 0.38391696226426 0.91021854363949 88.906 > 2 4 Y 0.79228316400913 0.38391696226426 0.91021854363949 88.906 > 2 *5 Y 0.04556859205947 0.36770451705447 0.94136307117173 88.906 > 3 6 Y 0.54556859205947 0.36770451705447 0.94136307117173 88.906 > 3 7 Y 0.29228316400913 0.11608303773574 0.41021854363949 88.906 > 4 8 Y 0.79228316400913 0.11608303773574 0.41021854363949 88.906 > 4 9 Y 0.11191062280601 0.90530087828616 0.19582717483952 88.906 > 5 10 Y 0.61191062280601 0.90530087828616 0.19582717483952 88.906 > 5 11 Y 0.38808937719399 0.09469912171384 0.80417282516048 88.906 > 6 12 Y 0.88808937719399 0.09469912171384 0.80417282516048 88.906 > 6 *13 Y 0.36663421681762 0.61378275575370 0.71504173361308 88.906 > 7 14 Y 0.86663421681762 0.61378275575370 0.71504173361308 88.906 > 7 15 Y 0.36663421681762 0.88621724424630 0.21504173361308 88.906 > 8 16 Y 0.86663421681762 0.88621724424630 0.21504173361308 88.906 > 8 17 Y 0.13336578318238 0.11378275575370 0.78495826638692 88.906 > 9 18 Y 0.63336578318238 0.11378275575370 0.78495826638692 88.906 > 9 19 Y 0.04556859205947 0.13229548294553 0.44136307117173 88.906 > 10 20 Y 0.54556859205947 0.13229548294553 0.44136307117173 88.906 > 10 21 Y 0.13336578318238 0.38621724424630 0.28495826638692 88.906 > 11 22 Y 0.63336578318238 0.38621724424630 0.28495826638692 88.906 > 11 23 Y 0.45443140794053 0.86770451705447 0.55863692882827 88.906 > 12 24 Y 0.95443140794053 0.86770451705447 0.55863692882827 88.906 > 12 25 Y 0.20771683599087 0.88391696226426 0.58978145636051 88.906 > 13 26 Y 0.70771683599087 0.88391696226426 0.58978145636051 88.906 > 13 27 Y 0.20771683599087 0.61608303773574 0.08978145636051 88.906 > 14 28 Y 0.70771683599087 0.61608303773574 0.08978145636051 88.906 > 14 29 Y 0.38808937719399 0.40530087828616 0.30417282516048 88.906 > 15 30 Y 0.88808937719399 0.40530087828616 0.30417282516048 88.906 > 15 31 Y 0.45443140794053 0.63229548294553 0.05863692882827 88.906 > 16 32 Y 0.95443140794053 0.63229548294553 0.05863692882827 88.906 > 16 *33 Al 0.20632087203871 0.32079779957143 0.61445076568298 26.982 > 17 34 Al 0.70632087203871 0.32079779957143 0.61445076568298 26.982 > 17 35 Al 0.29367912796129 0.82079779957143 0.88554923431702 26.982 > 18 36 Al 0.79367912796129 0.82079779957143 0.88554923431702 26.982 > 18 37 Al 0.29367912796129 0.67920220042857 0.38554923431702 26.982 > 19 38 Al 0.79367912796129 0.67920220042857 0.38554923431702 26.982 > 19 *39 Al 0.47644634029229 0.17376418378659 0.12338843160133 26.982 > 20 40 Al 0.97644634029229 0.17376418378659 0.12338843160133 26.982 > 20 41 Al 0.02355365970771 0.67376418378658 0.37661156839867 26.982 > 21 42 Al 0.52355365970771 0.67376418378658 0.37661156839867 26.982 > 21 43 Al 0.02355365970771 0.82623581621342 0.87661156839867 26.982 > 22 44 Al 0.52355365970771 0.82623581621342 0.87661156839867 26.982 > 22 45 Al 0.47644634029229 0.32623581621342 0.62338843160133 26.982 > 23 46 Al 0.97644634029229 0.32623581621342 0.62338843160133 26.982 > 23 47 Al 0.20632087203871 0.17920220042857 0.11445076568298 26.982 > 24 48 Al 0.70632087203871 0.17920220042857 0.11445076568298 26.982 > 24 *49 O 0.26686635213499 0.27091448603142 0.24774292354501 15.999 > 25 50 O 0.76686635213499 0.27091448603142 0.24774292354501 15.999 > 25 *51 O 0.48792292319373 0.25750190242031 0.26633946005374 15.999 > 26 52 O 0.98792292319373 0.25750190242031 0.26633946005374 15.999 > 26 53 O 0.48792292319373 0.24249809757969 0.76633946005374 15.999 > 27 54 O 0.98792292319373 0.24249809757969 0.76633946005374 15.999 > 27 *55 O 0.23778032316406 0.02294691621622 0.17215368381884 15.999 > 28 56 O 0.73778032316406 0.02294691621622 0.17215368381884 15.999 > 28 57 O 0.23313364786501 0.77091448603142 0.25225707645499 15.999 > 29 58 O 0.73313364786501 0.77091448603142 0.25225707645499 15.999 > 29 *59 O 0.09024260140671 0.76358251632447 0.02385170335981 15.999 > 30 60 O 0.59024260140671 0.76358251632447 0.02385170335981 15.999 > 30 61 O 0.26221967683594 0.52294691621622 0.32784631618116 15.999 > 31 62 O 0.76221967683594 0.52294691621622 0.32784631618116 15.999 > 31 *63 O 0.40958906308105 0.72439586013291 0.38341040019607 15.999 > 32 64 O 0.90958906308105 0.72439586013291 0.38341040019607 15.999 > 32 *65 O 0.03399655465867 0.99212352010388 0.85898157174772 15.999 > 33 66 O 0.53399655465867 0.99212352010388 0.85898157174772 15.999 > 33 67 O 0.01207707680627 0.74249809757969 0.73366053994626 15.999 > 34 68 O 0.51207707680627 0.74249809757969 0.73366053994626 15.999 > 34 69 O 0.23778032316406 0.47705308378378 0.67215368381884 15.999 > 35 70 O 0.73778032316406 0.47705308378378 0.67215368381884 15.999 > 35 71 O 0.03399655465867 0.50787647989612 0.35898157174772 15.999 > 36 72 O 0.53399655465867 0.50787647989612 0.35898157174772 15.999 > 36 73 O 0.09024260140671 0.73641748367553 0.52385170335981 15.999 > 37 74 O 0.59024260140671 0.73641748367553 0.52385170335981 15.999 > 37 75 O 0.09041093691895 0.27560413986709 0.61658959980393 15.999 > 38 76 O 0.59041093691895 0.27560413986709 0.61658959980393 15.999 > 38 77 O 0.46600344534133 0.49212352010388 0.64101842825228 15.999 > 39 78 O 0.96600344534133 0.49212352010388 0.64101842825228 15.999 > 39 *79 O 0.41711456901994 0.49986329192348 0.89139014057075 15.999 > 40 80 O 0.91711456901994 0.49986329192348 0.89139014057075 15.999 > 40 81 O 0.41711456901994 0.00013670807652 0.39139014057075 15.999 > 41 82 O 0.91711456901994 0.00013670807652 0.39139014057075 15.999 > 41 *83 O 0.19306405218422 0.26285593056154 0.46130728355601 15.999 > 42 84 O 0.69306405218422 0.26285593056154 0.46130728355601 15.999 > 42 85 O 0.46600344534133 0.00787647989612 0.14101842825228 15.999 > 43 86 O 0.96600344534133 0.00787647989612 0.14101842825228 15.999 > 43 87 O 0.26686635213499 0.22908551396858 0.74774292354501 15.999 > 44 88 O 0.76686635213499 0.22908551396858 0.74774292354501 15.999 > 44 89 O 0.26221967683594 0.97705308378378 0.82784631618116 15.999 > 45 90 O 0.76221967683594 0.97705308378378 0.82784631618116 15.999 > 45 91 O 0.23313364786501 0.72908551396858 0.75225707645499 15.999 > 46 92 O 0.73313364786501 0.72908551396858 0.75225707645499 15.999 > 46 93 O 0.01207707680627 0.75750190242031 0.23366053994626 15.999 > 47 94 O 0.51207707680627 0.75750190242031 0.23366053994626 15.999 > 47 *95 O 0.15540403199187 0.99605402543724 0.39403078950701 15.999 > 48 96 O 0.65540403199187 0.99605402543724 0.39403078950701 15.999 > 48 97 O 0.08288543098006 0.99986329192348 0.60860985942925 15.999 > 49 98 O 0.58288543098006 0.99986329192348 0.60860985942925 15.999 > 49 99 O 0.34459596800813 0.00394597456276 0.60596921049299 15.999 > 50 100 O 0.84459596800813 0.00394597456276 0.60596921049299 15.999 > 50 101 O 0.19306405218422 0.23714406943846 0.96130728355601 15.999 > 51 102 O 0.69306405218422 0.23714406943846 0.96130728355601 15.999 > 51 103 O 0.08288543098006 0.50013670807652 0.10860985942925 15.999 > 52 104 O 0.58288543098006 0.50013670807652 0.10860985942925 15.999 > 52 105 O 0.09041093691895 0.22439586013291 0.11658959980393 15.999 > 53 106 O 0.59041093691895 0.22439586013291 0.11658959980393 15.999 > 53 107 O 0.40975739859329 0.26358251632447 0.47614829664019 15.999 > 54 108 O 0.90975739859329 0.26358251632447 0.47614829664019 15.999 > 54 109 O 0.40958906308105 0.77560413986709 0.88341040019607 15.999 > 55 110 O 0.90958906308105 0.77560413986709 0.88341040019607 15.999 > 55 111 O 0.15540403199187 0.50394597456276 0.89403078950701 15.999 > 56 112 O 0.65540403199187 0.50394597456276 0.89403078950701 15.999 > 56 113 O 0.30693594781578 0.73714406943846 0.53869271644399 15.999 > 57 114 O 0.80693594781578 0.73714406943846 0.53869271644399 15.999 > 57 115 O 0.40975739859329 0.23641748367553 0.97614829664019 15.999 > 58 116 O 0.90975739859329 0.23641748367553 0.97614829664019 15.999 > 58 117 O 0.34459596800813 0.49605402543725 0.10596921049299 15.999 > 59 118 O 0.84459596800813 0.49605402543725 0.10596921049299 15.999 > 59 119 O 0.30693594781578 0.76285593056154 0.03869271644399 15.999 > 60 120 O 0.80693594781578 0.76285593056154 0.03869271644399 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7933801 0.0000000 0.0249298 0.0000000 3.7708946 0.0000000 0.0249300 0.0000000 3.6804303 -------------------------- Born effective charges -------------------------- 1 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 2 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 3 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 4 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 5 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 6 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 7 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 8 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 9 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 10 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 11 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 12 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 13 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 14 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 15 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 16 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 17 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 18 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 19 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 20 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 21 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 22 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 23 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 24 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 25 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 26 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 27 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 28 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 29 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 30 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 31 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 32 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 33 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 34 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 35 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 36 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 37 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 38 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 39 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 40 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 41 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 42 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 43 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 44 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 45 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 46 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 47 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 48 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 49 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 50 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 51 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 52 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 53 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 54 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 55 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 56 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 57 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 58 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 59 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 60 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 273), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 273), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.380 Solver_block: 200 / 1840 - Time: 2.048 Solver_block: 300 / 1840 - Time: 2.047 Solver_block: 400 / 1840 - Time: 2.050 Solver_block: 500 / 1840 - Time: 2.053 Solver_block: 600 / 1840 - Time: 2.060 Solver_block: 700 / 1840 - Time: 2.062 Solver_block: 800 / 1840 - Time: 2.050 Solver_block: 900 / 1840 - Time: 2.065 Solver_block: 1000 / 1840 - Time: 2.054 Solver_block: 1100 / 1840 - Time: 2.058 Solver_block: 1200 / 1840 - Time: 2.059 Solver_block: 1300 / 1840 - Time: 2.057 Solver_block: 1400 / 1840 - Time: 2.058 Solver_block: 1500 / 1840 - Time: 2.051 Solver_block: 1600 / 1840 - Time: 2.053 Solver_block: 1700 / 1840 - Time: 2.054 Solver_block: 1800 / 1840 - Time: 2.049 Solver_block: 1840 / 1840 - Time: 1.021 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.375 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (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: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 273), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 273), data: True |-- (500, 470), data: False |-- (500, 22), data: (500, 52) @ (52, 22) |-- (250, 228), data: True |-- (250, 220), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), 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 16:39:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:39:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.300907520219395 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): 1 Y 0.22382124561202 0.59469912171384 0.69582717483952 88.906 2 Y 0.58456632801826 0.38391696226426 0.91021854363949 88.906 3 Y 0.09113718411894 0.36770451705447 0.94136307117173 88.906 4 Y 0.58456632801826 0.11608303773574 0.41021854363949 88.906 5 Y 0.22382124561202 0.90530087828616 0.19582717483952 88.906 6 Y 0.77617875438798 0.09469912171384 0.80417282516048 88.906 7 Y 0.73326843363525 0.61378275575370 0.71504173361308 88.906 8 Y 0.73326843363525 0.88621724424630 0.21504173361308 88.906 9 Y 0.26673156636475 0.11378275575370 0.78495826638692 88.906 10 Y 0.09113718411894 0.13229548294553 0.44136307117173 88.906 11 Y 0.26673156636475 0.38621724424630 0.28495826638692 88.906 12 Y 0.90886281588106 0.86770451705447 0.55863692882827 88.906 13 Y 0.41543367198174 0.88391696226426 0.58978145636051 88.906 14 Y 0.41543367198174 0.61608303773574 0.08978145636051 88.906 15 Y 0.77617875438798 0.40530087828616 0.30417282516048 88.906 16 Y 0.90886281588106 0.63229548294553 0.05863692882827 88.906 17 Al 0.41264174407743 0.32079779957143 0.61445076568298 26.982 18 Al 0.58735825592257 0.82079779957143 0.88554923431702 26.982 19 Al 0.58735825592257 0.67920220042857 0.38554923431702 26.982 20 Al 0.95289268058459 0.17376418378659 0.12338843160133 26.982 21 Al 0.04710731941541 0.67376418378658 0.37661156839867 26.982 22 Al 0.04710731941541 0.82623581621342 0.87661156839867 26.982 23 Al 0.95289268058459 0.32623581621342 0.62338843160133 26.982 24 Al 0.41264174407743 0.17920220042857 0.11445076568298 26.982 25 O 0.53373270426997 0.27091448603142 0.24774292354501 15.999 26 O 0.97584584638746 0.25750190242031 0.26633946005374 15.999 27 O 0.97584584638746 0.24249809757969 0.76633946005374 15.999 28 O 0.47556064632812 0.02294691621622 0.17215368381884 15.999 29 O 0.46626729573003 0.77091448603142 0.25225707645499 15.999 30 O 0.18048520281343 0.76358251632447 0.02385170335981 15.999 31 O 0.52443935367188 0.52294691621622 0.32784631618116 15.999 32 O 0.81917812616209 0.72439586013291 0.38341040019607 15.999 33 O 0.06799310931733 0.99212352010388 0.85898157174772 15.999 34 O 0.02415415361254 0.74249809757969 0.73366053994626 15.999 35 O 0.47556064632812 0.47705308378378 0.67215368381884 15.999 36 O 0.06799310931733 0.50787647989612 0.35898157174772 15.999 37 O 0.18048520281343 0.73641748367553 0.52385170335981 15.999 38 O 0.18082187383791 0.27560413986709 0.61658959980393 15.999 39 O 0.93200689068267 0.49212352010388 0.64101842825228 15.999 40 O 0.83422913803988 0.49986329192348 0.89139014057075 15.999 41 O 0.83422913803988 0.00013670807652 0.39139014057075 15.999 42 O 0.38612810436844 0.26285593056154 0.46130728355601 15.999 43 O 0.93200689068267 0.00787647989612 0.14101842825228 15.999 44 O 0.53373270426997 0.22908551396858 0.74774292354501 15.999 45 O 0.52443935367188 0.97705308378378 0.82784631618116 15.999 46 O 0.46626729573003 0.72908551396858 0.75225707645499 15.999 47 O 0.02415415361254 0.75750190242031 0.23366053994626 15.999 48 O 0.31080806398374 0.99605402543724 0.39403078950701 15.999 49 O 0.16577086196012 0.99986329192348 0.60860985942925 15.999 50 O 0.68919193601626 0.00394597456276 0.60596921049299 15.999 51 O 0.38612810436844 0.23714406943846 0.96130728355601 15.999 52 O 0.16577086196012 0.50013670807652 0.10860985942925 15.999 53 O 0.18082187383791 0.22439586013291 0.11658959980393 15.999 54 O 0.81951479718657 0.26358251632447 0.47614829664019 15.999 55 O 0.81917812616209 0.77560413986709 0.88341040019607 15.999 56 O 0.31080806398374 0.50394597456276 0.89403078950701 15.999 57 O 0.61387189563156 0.73714406943846 0.53869271644399 15.999 58 O 0.81951479718657 0.23641748367553 0.97614829664019 15.999 59 O 0.68919193601626 0.49605402543725 0.10596921049299 15.999 60 O 0.61387189563156 0.76285593056154 0.03869271644399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.601815040438790 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): 1 Y 0.11191062280601 0.59469912171384 0.69582717483952 88.906 > 1 2 Y 0.61191062280601 0.59469912171384 0.69582717483952 88.906 > 1 3 Y 0.29228316400913 0.38391696226426 0.91021854363949 88.906 > 3 4 Y 0.79228316400913 0.38391696226426 0.91021854363949 88.906 > 3 5 Y 0.04556859205947 0.36770451705447 0.94136307117173 88.906 > 5 6 Y 0.54556859205947 0.36770451705447 0.94136307117173 88.906 > 5 7 Y 0.29228316400913 0.11608303773574 0.41021854363949 88.906 > 7 8 Y 0.79228316400913 0.11608303773574 0.41021854363949 88.906 > 7 9 Y 0.11191062280601 0.90530087828616 0.19582717483952 88.906 > 9 10 Y 0.61191062280601 0.90530087828616 0.19582717483952 88.906 > 9 11 Y 0.38808937719399 0.09469912171384 0.80417282516048 88.906 > 11 12 Y 0.88808937719399 0.09469912171384 0.80417282516048 88.906 > 11 13 Y 0.36663421681762 0.61378275575370 0.71504173361308 88.906 > 13 14 Y 0.86663421681762 0.61378275575370 0.71504173361308 88.906 > 13 15 Y 0.36663421681762 0.88621724424630 0.21504173361308 88.906 > 15 16 Y 0.86663421681762 0.88621724424630 0.21504173361308 88.906 > 15 17 Y 0.13336578318238 0.11378275575370 0.78495826638692 88.906 > 17 18 Y 0.63336578318238 0.11378275575370 0.78495826638692 88.906 > 17 19 Y 0.04556859205947 0.13229548294553 0.44136307117173 88.906 > 19 20 Y 0.54556859205947 0.13229548294553 0.44136307117173 88.906 > 19 21 Y 0.13336578318238 0.38621724424630 0.28495826638692 88.906 > 21 22 Y 0.63336578318238 0.38621724424630 0.28495826638692 88.906 > 21 23 Y 0.45443140794053 0.86770451705447 0.55863692882827 88.906 > 23 24 Y 0.95443140794053 0.86770451705447 0.55863692882827 88.906 > 23 25 Y 0.20771683599087 0.88391696226426 0.58978145636051 88.906 > 25 26 Y 0.70771683599087 0.88391696226426 0.58978145636051 88.906 > 25 27 Y 0.20771683599087 0.61608303773574 0.08978145636051 88.906 > 27 28 Y 0.70771683599087 0.61608303773574 0.08978145636051 88.906 > 27 29 Y 0.38808937719399 0.40530087828616 0.30417282516048 88.906 > 29 30 Y 0.88808937719399 0.40530087828616 0.30417282516048 88.906 > 29 31 Y 0.45443140794053 0.63229548294553 0.05863692882827 88.906 > 31 32 Y 0.95443140794053 0.63229548294553 0.05863692882827 88.906 > 31 33 Al 0.20632087203871 0.32079779957143 0.61445076568298 26.982 > 33 34 Al 0.70632087203871 0.32079779957143 0.61445076568298 26.982 > 33 35 Al 0.29367912796129 0.82079779957143 0.88554923431702 26.982 > 35 36 Al 0.79367912796129 0.82079779957143 0.88554923431702 26.982 > 35 37 Al 0.29367912796129 0.67920220042857 0.38554923431702 26.982 > 37 38 Al 0.79367912796129 0.67920220042857 0.38554923431702 26.982 > 37 39 Al 0.47644634029229 0.17376418378659 0.12338843160133 26.982 > 39 40 Al 0.97644634029229 0.17376418378659 0.12338843160133 26.982 > 39 41 Al 0.02355365970771 0.67376418378658 0.37661156839867 26.982 > 41 42 Al 0.52355365970771 0.67376418378658 0.37661156839867 26.982 > 41 43 Al 0.02355365970771 0.82623581621342 0.87661156839867 26.982 > 43 44 Al 0.52355365970771 0.82623581621342 0.87661156839867 26.982 > 43 45 Al 0.47644634029229 0.32623581621342 0.62338843160133 26.982 > 45 46 Al 0.97644634029229 0.32623581621342 0.62338843160133 26.982 > 45 47 Al 0.20632087203871 0.17920220042857 0.11445076568298 26.982 > 47 48 Al 0.70632087203871 0.17920220042857 0.11445076568298 26.982 > 47 49 O 0.26686635213499 0.27091448603142 0.24774292354501 15.999 > 49 50 O 0.76686635213499 0.27091448603142 0.24774292354501 15.999 > 49 51 O 0.48792292319373 0.25750190242031 0.26633946005374 15.999 > 51 52 O 0.98792292319373 0.25750190242031 0.26633946005374 15.999 > 51 53 O 0.48792292319373 0.24249809757969 0.76633946005374 15.999 > 53 54 O 0.98792292319373 0.24249809757969 0.76633946005374 15.999 > 53 55 O 0.23778032316406 0.02294691621622 0.17215368381884 15.999 > 55 56 O 0.73778032316406 0.02294691621622 0.17215368381884 15.999 > 55 57 O 0.23313364786501 0.77091448603142 0.25225707645499 15.999 > 57 58 O 0.73313364786501 0.77091448603142 0.25225707645499 15.999 > 57 59 O 0.09024260140671 0.76358251632447 0.02385170335981 15.999 > 59 60 O 0.59024260140671 0.76358251632447 0.02385170335981 15.999 > 59 61 O 0.26221967683594 0.52294691621622 0.32784631618116 15.999 > 61 62 O 0.76221967683594 0.52294691621622 0.32784631618116 15.999 > 61 63 O 0.40958906308105 0.72439586013291 0.38341040019607 15.999 > 63 64 O 0.90958906308105 0.72439586013291 0.38341040019607 15.999 > 63 65 O 0.03399655465867 0.99212352010388 0.85898157174772 15.999 > 65 66 O 0.53399655465867 0.99212352010388 0.85898157174772 15.999 > 65 67 O 0.01207707680627 0.74249809757969 0.73366053994626 15.999 > 67 68 O 0.51207707680627 0.74249809757969 0.73366053994626 15.999 > 67 69 O 0.23778032316406 0.47705308378378 0.67215368381884 15.999 > 69 70 O 0.73778032316406 0.47705308378378 0.67215368381884 15.999 > 69 71 O 0.03399655465867 0.50787647989612 0.35898157174772 15.999 > 71 72 O 0.53399655465867 0.50787647989612 0.35898157174772 15.999 > 71 73 O 0.09024260140671 0.73641748367553 0.52385170335981 15.999 > 73 74 O 0.59024260140671 0.73641748367553 0.52385170335981 15.999 > 73 75 O 0.09041093691895 0.27560413986709 0.61658959980393 15.999 > 75 76 O 0.59041093691895 0.27560413986709 0.61658959980393 15.999 > 75 77 O 0.46600344534133 0.49212352010388 0.64101842825228 15.999 > 77 78 O 0.96600344534133 0.49212352010388 0.64101842825228 15.999 > 77 79 O 0.41711456901994 0.49986329192348 0.89139014057075 15.999 > 79 80 O 0.91711456901994 0.49986329192348 0.89139014057075 15.999 > 79 81 O 0.41711456901994 0.00013670807652 0.39139014057075 15.999 > 81 82 O 0.91711456901994 0.00013670807652 0.39139014057075 15.999 > 81 83 O 0.19306405218422 0.26285593056154 0.46130728355601 15.999 > 83 84 O 0.69306405218422 0.26285593056154 0.46130728355601 15.999 > 83 85 O 0.46600344534133 0.00787647989612 0.14101842825228 15.999 > 85 86 O 0.96600344534133 0.00787647989612 0.14101842825228 15.999 > 85 87 O 0.26686635213499 0.22908551396858 0.74774292354501 15.999 > 87 88 O 0.76686635213499 0.22908551396858 0.74774292354501 15.999 > 87 89 O 0.26221967683594 0.97705308378378 0.82784631618116 15.999 > 89 90 O 0.76221967683594 0.97705308378378 0.82784631618116 15.999 > 89 91 O 0.23313364786501 0.72908551396858 0.75225707645499 15.999 > 91 92 O 0.73313364786501 0.72908551396858 0.75225707645499 15.999 > 91 93 O 0.01207707680627 0.75750190242031 0.23366053994626 15.999 > 93 94 O 0.51207707680627 0.75750190242031 0.23366053994626 15.999 > 93 95 O 0.15540403199187 0.99605402543724 0.39403078950701 15.999 > 95 96 O 0.65540403199187 0.99605402543724 0.39403078950701 15.999 > 95 97 O 0.08288543098006 0.99986329192348 0.60860985942925 15.999 > 97 98 O 0.58288543098006 0.99986329192348 0.60860985942925 15.999 > 97 99 O 0.34459596800813 0.00394597456276 0.60596921049299 15.999 > 99 100 O 0.84459596800813 0.00394597456276 0.60596921049299 15.999 > 99 101 O 0.19306405218422 0.23714406943846 0.96130728355601 15.999 > 101 102 O 0.69306405218422 0.23714406943846 0.96130728355601 15.999 > 101 103 O 0.08288543098006 0.50013670807652 0.10860985942925 15.999 > 103 104 O 0.58288543098006 0.50013670807652 0.10860985942925 15.999 > 103 105 O 0.09041093691895 0.22439586013291 0.11658959980393 15.999 > 105 106 O 0.59041093691895 0.22439586013291 0.11658959980393 15.999 > 105 107 O 0.40975739859329 0.26358251632447 0.47614829664019 15.999 > 107 108 O 0.90975739859329 0.26358251632447 0.47614829664019 15.999 > 107 109 O 0.40958906308105 0.77560413986709 0.88341040019607 15.999 > 109 110 O 0.90958906308105 0.77560413986709 0.88341040019607 15.999 > 109 111 O 0.15540403199187 0.50394597456276 0.89403078950701 15.999 > 111 112 O 0.65540403199187 0.50394597456276 0.89403078950701 15.999 > 111 113 O 0.30693594781578 0.73714406943846 0.53869271644399 15.999 > 113 114 O 0.80693594781578 0.73714406943846 0.53869271644399 15.999 > 113 115 O 0.40975739859329 0.23641748367553 0.97614829664019 15.999 > 115 116 O 0.90975739859329 0.23641748367553 0.97614829664019 15.999 > 115 117 O 0.34459596800813 0.49605402543725 0.10596921049299 15.999 > 117 118 O 0.84459596800813 0.49605402543725 0.10596921049299 15.999 > 117 119 O 0.30693594781578 0.76285593056154 0.03869271644399 15.999 > 119 120 O 0.80693594781578 0.76285593056154 0.03869271644399 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7933801 0.0000000 0.0249298 0.0000000 3.7708946 0.0000000 0.0249300 0.0000000 3.6804303 -------------------------- Born effective charges -------------------------- 1 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 2 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 3 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 4 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 5 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 6 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 7 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 8 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 9 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 10 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 11 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 12 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 13 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 14 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 15 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 16 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 17 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 18 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 19 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 20 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 21 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 22 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 23 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 24 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 25 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 26 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 27 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 28 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 29 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 30 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 31 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 32 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 33 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 34 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 35 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 36 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 37 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 38 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 39 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 40 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 41 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 42 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 43 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 44 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 45 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 46 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 47 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 48 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 49 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 50 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 51 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 52 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 53 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 54 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 55 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 56 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 57 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 58 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 59 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 60 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 95, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 16:40:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:40:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.300907520219395 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): 1 Y 0.22382124561202 0.59469912171384 0.69582717483952 88.906 2 Y 0.58456632801826 0.38391696226426 0.91021854363949 88.906 3 Y 0.09113718411894 0.36770451705447 0.94136307117173 88.906 4 Y 0.58456632801826 0.11608303773574 0.41021854363949 88.906 5 Y 0.22382124561202 0.90530087828616 0.19582717483952 88.906 6 Y 0.77617875438798 0.09469912171384 0.80417282516048 88.906 7 Y 0.73326843363525 0.61378275575370 0.71504173361308 88.906 8 Y 0.73326843363525 0.88621724424630 0.21504173361308 88.906 9 Y 0.26673156636475 0.11378275575370 0.78495826638692 88.906 10 Y 0.09113718411894 0.13229548294553 0.44136307117173 88.906 11 Y 0.26673156636475 0.38621724424630 0.28495826638692 88.906 12 Y 0.90886281588106 0.86770451705447 0.55863692882827 88.906 13 Y 0.41543367198174 0.88391696226426 0.58978145636051 88.906 14 Y 0.41543367198174 0.61608303773574 0.08978145636051 88.906 15 Y 0.77617875438798 0.40530087828616 0.30417282516048 88.906 16 Y 0.90886281588106 0.63229548294553 0.05863692882827 88.906 17 Al 0.41264174407743 0.32079779957143 0.61445076568298 26.982 18 Al 0.58735825592257 0.82079779957143 0.88554923431702 26.982 19 Al 0.58735825592257 0.67920220042857 0.38554923431702 26.982 20 Al 0.95289268058459 0.17376418378659 0.12338843160133 26.982 21 Al 0.04710731941541 0.67376418378658 0.37661156839867 26.982 22 Al 0.04710731941541 0.82623581621342 0.87661156839867 26.982 23 Al 0.95289268058459 0.32623581621342 0.62338843160133 26.982 24 Al 0.41264174407743 0.17920220042857 0.11445076568298 26.982 25 O 0.53373270426997 0.27091448603142 0.24774292354501 15.999 26 O 0.97584584638746 0.25750190242031 0.26633946005374 15.999 27 O 0.97584584638746 0.24249809757969 0.76633946005374 15.999 28 O 0.47556064632812 0.02294691621622 0.17215368381884 15.999 29 O 0.46626729573003 0.77091448603142 0.25225707645499 15.999 30 O 0.18048520281343 0.76358251632447 0.02385170335981 15.999 31 O 0.52443935367188 0.52294691621622 0.32784631618116 15.999 32 O 0.81917812616209 0.72439586013291 0.38341040019607 15.999 33 O 0.06799310931733 0.99212352010388 0.85898157174772 15.999 34 O 0.02415415361254 0.74249809757969 0.73366053994626 15.999 35 O 0.47556064632812 0.47705308378378 0.67215368381884 15.999 36 O 0.06799310931733 0.50787647989612 0.35898157174772 15.999 37 O 0.18048520281343 0.73641748367553 0.52385170335981 15.999 38 O 0.18082187383791 0.27560413986709 0.61658959980393 15.999 39 O 0.93200689068267 0.49212352010388 0.64101842825228 15.999 40 O 0.83422913803988 0.49986329192348 0.89139014057075 15.999 41 O 0.83422913803988 0.00013670807652 0.39139014057075 15.999 42 O 0.38612810436844 0.26285593056154 0.46130728355601 15.999 43 O 0.93200689068267 0.00787647989612 0.14101842825228 15.999 44 O 0.53373270426997 0.22908551396858 0.74774292354501 15.999 45 O 0.52443935367188 0.97705308378378 0.82784631618116 15.999 46 O 0.46626729573003 0.72908551396858 0.75225707645499 15.999 47 O 0.02415415361254 0.75750190242031 0.23366053994626 15.999 48 O 0.31080806398374 0.99605402543724 0.39403078950701 15.999 49 O 0.16577086196012 0.99986329192348 0.60860985942925 15.999 50 O 0.68919193601626 0.00394597456276 0.60596921049299 15.999 51 O 0.38612810436844 0.23714406943846 0.96130728355601 15.999 52 O 0.16577086196012 0.50013670807652 0.10860985942925 15.999 53 O 0.18082187383791 0.22439586013291 0.11658959980393 15.999 54 O 0.81951479718657 0.26358251632447 0.47614829664019 15.999 55 O 0.81917812616209 0.77560413986709 0.88341040019607 15.999 56 O 0.31080806398374 0.50394597456276 0.89403078950701 15.999 57 O 0.61387189563156 0.73714406943846 0.53869271644399 15.999 58 O 0.81951479718657 0.23641748367553 0.97614829664019 15.999 59 O 0.68919193601626 0.49605402543725 0.10596921049299 15.999 60 O 0.61387189563156 0.76285593056154 0.03869271644399 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.601815040438790 0.000000000000000 0.000000000000000 b 0.000000000000000 10.370719840000000 0.000000000000000 c -3.469571042496967 0.000000000000000 10.547927152603160 Atomic positions (fractional): 1 Y 0.11191062280601 0.59469912171384 0.69582717483952 88.906 > 1 2 Y 0.61191062280601 0.59469912171384 0.69582717483952 88.906 > 1 3 Y 0.29228316400913 0.38391696226426 0.91021854363949 88.906 > 3 4 Y 0.79228316400913 0.38391696226426 0.91021854363949 88.906 > 3 5 Y 0.04556859205947 0.36770451705447 0.94136307117173 88.906 > 5 6 Y 0.54556859205947 0.36770451705447 0.94136307117173 88.906 > 5 7 Y 0.29228316400913 0.11608303773574 0.41021854363949 88.906 > 7 8 Y 0.79228316400913 0.11608303773574 0.41021854363949 88.906 > 7 9 Y 0.11191062280601 0.90530087828616 0.19582717483952 88.906 > 9 10 Y 0.61191062280601 0.90530087828616 0.19582717483952 88.906 > 9 11 Y 0.38808937719399 0.09469912171384 0.80417282516048 88.906 > 11 12 Y 0.88808937719399 0.09469912171384 0.80417282516048 88.906 > 11 13 Y 0.36663421681762 0.61378275575370 0.71504173361308 88.906 > 13 14 Y 0.86663421681762 0.61378275575370 0.71504173361308 88.906 > 13 15 Y 0.36663421681762 0.88621724424630 0.21504173361308 88.906 > 15 16 Y 0.86663421681762 0.88621724424630 0.21504173361308 88.906 > 15 17 Y 0.13336578318238 0.11378275575370 0.78495826638692 88.906 > 17 18 Y 0.63336578318238 0.11378275575370 0.78495826638692 88.906 > 17 19 Y 0.04556859205947 0.13229548294553 0.44136307117173 88.906 > 19 20 Y 0.54556859205947 0.13229548294553 0.44136307117173 88.906 > 19 21 Y 0.13336578318238 0.38621724424630 0.28495826638692 88.906 > 21 22 Y 0.63336578318238 0.38621724424630 0.28495826638692 88.906 > 21 23 Y 0.45443140794053 0.86770451705447 0.55863692882827 88.906 > 23 24 Y 0.95443140794053 0.86770451705447 0.55863692882827 88.906 > 23 25 Y 0.20771683599087 0.88391696226426 0.58978145636051 88.906 > 25 26 Y 0.70771683599087 0.88391696226426 0.58978145636051 88.906 > 25 27 Y 0.20771683599087 0.61608303773574 0.08978145636051 88.906 > 27 28 Y 0.70771683599087 0.61608303773574 0.08978145636051 88.906 > 27 29 Y 0.38808937719399 0.40530087828616 0.30417282516048 88.906 > 29 30 Y 0.88808937719399 0.40530087828616 0.30417282516048 88.906 > 29 31 Y 0.45443140794053 0.63229548294553 0.05863692882827 88.906 > 31 32 Y 0.95443140794053 0.63229548294553 0.05863692882827 88.906 > 31 33 Al 0.20632087203871 0.32079779957143 0.61445076568298 26.982 > 33 34 Al 0.70632087203871 0.32079779957143 0.61445076568298 26.982 > 33 35 Al 0.29367912796129 0.82079779957143 0.88554923431702 26.982 > 35 36 Al 0.79367912796129 0.82079779957143 0.88554923431702 26.982 > 35 37 Al 0.29367912796129 0.67920220042857 0.38554923431702 26.982 > 37 38 Al 0.79367912796129 0.67920220042857 0.38554923431702 26.982 > 37 39 Al 0.47644634029229 0.17376418378659 0.12338843160133 26.982 > 39 40 Al 0.97644634029229 0.17376418378659 0.12338843160133 26.982 > 39 41 Al 0.02355365970771 0.67376418378658 0.37661156839867 26.982 > 41 42 Al 0.52355365970771 0.67376418378658 0.37661156839867 26.982 > 41 43 Al 0.02355365970771 0.82623581621342 0.87661156839867 26.982 > 43 44 Al 0.52355365970771 0.82623581621342 0.87661156839867 26.982 > 43 45 Al 0.47644634029229 0.32623581621342 0.62338843160133 26.982 > 45 46 Al 0.97644634029229 0.32623581621342 0.62338843160133 26.982 > 45 47 Al 0.20632087203871 0.17920220042857 0.11445076568298 26.982 > 47 48 Al 0.70632087203871 0.17920220042857 0.11445076568298 26.982 > 47 49 O 0.26686635213499 0.27091448603142 0.24774292354501 15.999 > 49 50 O 0.76686635213499 0.27091448603142 0.24774292354501 15.999 > 49 51 O 0.48792292319373 0.25750190242031 0.26633946005374 15.999 > 51 52 O 0.98792292319373 0.25750190242031 0.26633946005374 15.999 > 51 53 O 0.48792292319373 0.24249809757969 0.76633946005374 15.999 > 53 54 O 0.98792292319373 0.24249809757969 0.76633946005374 15.999 > 53 55 O 0.23778032316406 0.02294691621622 0.17215368381884 15.999 > 55 56 O 0.73778032316406 0.02294691621622 0.17215368381884 15.999 > 55 57 O 0.23313364786501 0.77091448603142 0.25225707645499 15.999 > 57 58 O 0.73313364786501 0.77091448603142 0.25225707645499 15.999 > 57 59 O 0.09024260140671 0.76358251632447 0.02385170335981 15.999 > 59 60 O 0.59024260140671 0.76358251632447 0.02385170335981 15.999 > 59 61 O 0.26221967683594 0.52294691621622 0.32784631618116 15.999 > 61 62 O 0.76221967683594 0.52294691621622 0.32784631618116 15.999 > 61 63 O 0.40958906308105 0.72439586013291 0.38341040019607 15.999 > 63 64 O 0.90958906308105 0.72439586013291 0.38341040019607 15.999 > 63 65 O 0.03399655465867 0.99212352010388 0.85898157174772 15.999 > 65 66 O 0.53399655465867 0.99212352010388 0.85898157174772 15.999 > 65 67 O 0.01207707680627 0.74249809757969 0.73366053994626 15.999 > 67 68 O 0.51207707680627 0.74249809757969 0.73366053994626 15.999 > 67 69 O 0.23778032316406 0.47705308378378 0.67215368381884 15.999 > 69 70 O 0.73778032316406 0.47705308378378 0.67215368381884 15.999 > 69 71 O 0.03399655465867 0.50787647989612 0.35898157174772 15.999 > 71 72 O 0.53399655465867 0.50787647989612 0.35898157174772 15.999 > 71 73 O 0.09024260140671 0.73641748367553 0.52385170335981 15.999 > 73 74 O 0.59024260140671 0.73641748367553 0.52385170335981 15.999 > 73 75 O 0.09041093691895 0.27560413986709 0.61658959980393 15.999 > 75 76 O 0.59041093691895 0.27560413986709 0.61658959980393 15.999 > 75 77 O 0.46600344534133 0.49212352010388 0.64101842825228 15.999 > 77 78 O 0.96600344534133 0.49212352010388 0.64101842825228 15.999 > 77 79 O 0.41711456901994 0.49986329192348 0.89139014057075 15.999 > 79 80 O 0.91711456901994 0.49986329192348 0.89139014057075 15.999 > 79 81 O 0.41711456901994 0.00013670807652 0.39139014057075 15.999 > 81 82 O 0.91711456901994 0.00013670807652 0.39139014057075 15.999 > 81 83 O 0.19306405218422 0.26285593056154 0.46130728355601 15.999 > 83 84 O 0.69306405218422 0.26285593056154 0.46130728355601 15.999 > 83 85 O 0.46600344534133 0.00787647989612 0.14101842825228 15.999 > 85 86 O 0.96600344534133 0.00787647989612 0.14101842825228 15.999 > 85 87 O 0.26686635213499 0.22908551396858 0.74774292354501 15.999 > 87 88 O 0.76686635213499 0.22908551396858 0.74774292354501 15.999 > 87 89 O 0.26221967683594 0.97705308378378 0.82784631618116 15.999 > 89 90 O 0.76221967683594 0.97705308378378 0.82784631618116 15.999 > 89 91 O 0.23313364786501 0.72908551396858 0.75225707645499 15.999 > 91 92 O 0.73313364786501 0.72908551396858 0.75225707645499 15.999 > 91 93 O 0.01207707680627 0.75750190242031 0.23366053994626 15.999 > 93 94 O 0.51207707680627 0.75750190242031 0.23366053994626 15.999 > 93 95 O 0.15540403199187 0.99605402543724 0.39403078950701 15.999 > 95 96 O 0.65540403199187 0.99605402543724 0.39403078950701 15.999 > 95 97 O 0.08288543098006 0.99986329192348 0.60860985942925 15.999 > 97 98 O 0.58288543098006 0.99986329192348 0.60860985942925 15.999 > 97 99 O 0.34459596800813 0.00394597456276 0.60596921049299 15.999 > 99 100 O 0.84459596800813 0.00394597456276 0.60596921049299 15.999 > 99 101 O 0.19306405218422 0.23714406943846 0.96130728355601 15.999 > 101 102 O 0.69306405218422 0.23714406943846 0.96130728355601 15.999 > 101 103 O 0.08288543098006 0.50013670807652 0.10860985942925 15.999 > 103 104 O 0.58288543098006 0.50013670807652 0.10860985942925 15.999 > 103 105 O 0.09041093691895 0.22439586013291 0.11658959980393 15.999 > 105 106 O 0.59041093691895 0.22439586013291 0.11658959980393 15.999 > 105 107 O 0.40975739859329 0.26358251632447 0.47614829664019 15.999 > 107 108 O 0.90975739859329 0.26358251632447 0.47614829664019 15.999 > 107 109 O 0.40958906308105 0.77560413986709 0.88341040019607 15.999 > 109 110 O 0.90958906308105 0.77560413986709 0.88341040019607 15.999 > 109 111 O 0.15540403199187 0.50394597456276 0.89403078950701 15.999 > 111 112 O 0.65540403199187 0.50394597456276 0.89403078950701 15.999 > 111 113 O 0.30693594781578 0.73714406943846 0.53869271644399 15.999 > 113 114 O 0.80693594781578 0.73714406943846 0.53869271644399 15.999 > 113 115 O 0.40975739859329 0.23641748367553 0.97614829664019 15.999 > 115 116 O 0.90975739859329 0.23641748367553 0.97614829664019 15.999 > 115 117 O 0.34459596800813 0.49605402543725 0.10596921049299 15.999 > 117 118 O 0.84459596800813 0.49605402543725 0.10596921049299 15.999 > 117 119 O 0.30693594781578 0.76285593056154 0.03869271644399 15.999 > 119 120 O 0.80693594781578 0.76285593056154 0.03869271644399 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7933801 0.0000000 0.0249298 0.0000000 3.7708946 0.0000000 0.0249300 0.0000000 3.6804303 -------------------------- Born effective charges -------------------------- 1 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 2 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 3 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 4 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 5 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 6 Y 4.1987081 -0.0677810 0.1156012 -0.0328956 3.8373225 0.4487853 0.1411028 0.5262436 3.3476260 7 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 8 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 9 Y 3.9175304 0.0803608 -0.0679341 0.0423543 3.7034532 0.3782300 -0.0552165 0.4570729 3.5867381 10 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 11 Y 3.9175304 -0.0803608 -0.0679341 -0.0423543 3.7034532 -0.3782300 -0.0552165 -0.4570729 3.5867381 12 Y 3.7719884 -0.0251724 0.0969727 0.0298105 3.7766366 -0.2241980 0.0292186 -0.2201818 3.5392905 13 Y 4.0327046 0.0632221 0.0244492 0.0020515 3.7161118 -0.3027033 0.0786260 -0.3659164 3.2558076 14 Y 4.0327046 -0.0632221 0.0244492 -0.0020515 3.7161118 0.3027033 0.0786260 0.3659164 3.2558076 15 Y 4.1987081 0.0677810 0.1156012 0.0328956 3.8373225 -0.4487853 0.1411028 -0.5262436 3.3476260 16 Y 3.7719884 0.0251724 0.0969727 -0.0298105 3.7766366 0.2241980 0.0292186 0.2201818 3.5392905 17 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 18 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 19 Al 2.2540610 0.1239165 0.1077185 0.2025127 2.5701468 0.2481881 0.0596742 0.3428730 2.8922405 20 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 21 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 22 Al 2.2047419 0.1481485 -0.0152418 0.2306170 2.6976759 -0.1965008 -0.0254064 -0.2058869 2.7913963 23 Al 2.2047419 -0.1481485 -0.0152418 -0.2306170 2.6976759 0.1965008 -0.0254064 0.2058869 2.7913963 24 Al 2.2540610 -0.1239165 0.1077185 -0.2025127 2.5701468 -0.2481881 0.0596742 -0.3428730 2.8922405 25 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 26 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 27 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 28 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 29 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 30 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 31 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 32 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 33 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 34 O -2.1514488 0.2947319 0.1581472 0.2011768 -2.2818418 0.1819201 0.0793794 0.1631362 -2.2263203 35 O -2.2752821 -0.1525383 -0.1472792 -0.1367720 -2.4443551 -0.2495485 -0.1250299 -0.2060480 -1.7164473 36 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 37 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 38 O -2.2366137 0.0065259 -0.0199422 0.0204311 -1.9010477 -0.1463234 -0.0028550 -0.1937908 -1.9849776 39 O -2.3788067 0.1746964 0.0909691 0.1556491 -2.4676480 -0.3236088 0.1003201 -0.2964887 -1.6909753 40 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 41 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 42 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 43 O -2.3788067 -0.1746964 0.0909691 -0.1556491 -2.4676480 0.3236088 0.1003201 0.2964887 -1.6909753 44 O -2.2751701 0.3303805 -0.2303309 0.2326375 -2.3145059 -0.0351685 -0.1521159 -0.1054420 -1.9981829 45 O -2.2752821 0.1525383 -0.1472792 0.1367720 -2.4443551 0.2495485 -0.1250299 0.2060480 -1.7164473 46 O -2.2751701 -0.3303805 -0.2303309 -0.2326375 -2.3145059 0.0351685 -0.1521159 0.1054420 -1.9981829 47 O -2.1514488 -0.2947319 0.1581472 -0.2011768 -2.2818418 -0.1819201 0.0793794 -0.1631362 -2.2263203 48 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 49 O -2.4450982 -0.0654155 -0.1709785 -0.0419414 -2.4372188 -0.2047552 -0.1242016 -0.1693465 -2.5134220 50 O -2.4280281 0.0600882 0.1268328 0.0321051 -2.1646427 -0.1815772 0.0713320 -0.0988959 -2.6067150 51 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 52 O -2.4450982 0.0654155 -0.1709785 0.0419414 -2.4372188 0.2047552 -0.1242016 0.1693465 -2.5134220 53 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 54 O -2.0820045 -0.2936541 -0.2474677 -0.2150774 -2.1992975 -0.0520560 -0.1693906 -0.0169161 -2.2530125 55 O -2.2366137 -0.0065259 -0.0199422 -0.0204311 -1.9010477 0.1463234 -0.0028550 0.1937908 -1.9849776 56 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 57 O -2.1072822 0.2469583 0.1784836 0.1621125 -2.0907892 0.1372936 0.0945629 0.1127113 -2.4230459 58 O -2.0820045 0.2936541 -0.2474677 0.2150774 -2.1992975 0.0520560 -0.1693906 0.0169161 -2.2530125 59 O -2.4280281 -0.0600882 0.1268328 -0.0321051 -2.1646427 0.1815772 0.0713320 0.0988959 -2.6067150 60 O -2.1072822 -0.2469583 0.1784836 -0.1621125 -2.0907892 -0.1372936 0.0945629 -0.1127113 -2.4230459 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 7 5 5 ] 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: 0.45, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.980 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.191 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.954 ( 0.000 0.000 0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.311 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.386 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.503 ( 0.000 0.000 0.000) 0.000 13.658 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000 14.269 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 14.404 ( 0.000 0.000 0.000) 0.000 14.634 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.354 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.669 ( 0.000 0.000 0.000) 0.000 15.845 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 20.641 ( 0.000 0.000 0.000) 0.000 20.779 ( 0.000 0.000 0.000) 0.000 20.893 ( 0.000 0.000 0.000) 0.000 20.943 ( 0.000 0.000 0.000) 0.000 21.729 ( 0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 0.000) 0.000 21.957 ( 0.000 0.000 0.000) 0.000 22.385 ( 0.000 0.000 0.000) 0.000 22.507 ( 0.000 0.000 0.000) 0.000 22.563 ( 0.000 0.000 0.000) 0.000 22.711 ( 0.000 0.000 0.000) 0.000 22.822 ( 0.000 0.000 0.000) 0.000 23.021 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 23.301 ( 0.000 0.000 0.000) 0.000 23.702 ( 0.000 0.000 0.000) 0.000 23.886 ( 0.000 0.000 0.000) 0.000 24.011 ( 0.000 0.000 0.000) 0.000 24.317 ( 0.000 0.000 0.000) 0.000 24.374 ( 0.000 0.000 0.000) 0.000 24.565 ( 0.000 0.000 0.000) 0.000 25.178 ( 0.000 0.000 0.000) 0.000 25.221 ( 0.000 0.000 0.000) 0.000 26.031 ( 0.000 0.000 0.000) 0.000 26.704 ( 0.000 0.000 0.000) 0.000 26.712 ( 0.000 0.000 0.000) 0.000 26.735 ( 0.000 0.000 0.000) 0.000 26.753 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 36.669 0.000 5.509) 37.080 0.848 ( 39.045 0.000 12.665) 41.048 1.455 ( 63.514 0.000 24.793) 68.181 2.572 ( -3.486 0.000 -6.689) 7.543 2.658 ( 8.699 0.000 0.170) 8.701 2.756 ( -5.490 0.000 4.619) 7.174 2.807 ( 3.961 0.000 0.882) 4.058 2.923 ( 10.596 0.000 -8.186) 13.390 3.129 ( -1.107 0.000 0.069) 1.109 3.215 ( 3.626 0.000 1.563) 3.949 3.220 ( -2.695 0.000 -2.068) 3.397 3.348 ( -3.474 0.000 -0.163) 3.477 3.432 ( 6.447 0.000 -1.685) 6.663 3.474 ( -0.737 0.000 -5.206) 5.258 3.507 ( 6.904 0.000 -2.735) 7.425 3.637 ( 0.274 0.000 -0.463) 0.538 3.646 ( -1.639 0.000 0.455) 1.701 3.728 ( 0.066 0.000 -2.968) 2.969 3.854 ( 2.274 0.000 7.710) 8.039 3.917 ( 2.370 0.000 8.777) 9.092 3.967 ( 5.166 0.000 0.122) 5.167 4.024 ( 2.520 0.000 -0.013) 2.520 4.092 ( 7.131 0.000 -2.977) 7.727 4.143 ( 2.621 0.000 5.842) 6.403 4.231 ( 2.585 0.000 0.857) 2.723 4.246 ( -1.824 0.000 -4.732) 5.072 4.346 ( -3.790 0.000 -0.944) 3.905 4.455 ( -6.092 0.000 -2.353) 6.531 4.580 ( -14.482 0.000 -2.918) 14.773 4.670 ( -5.801 0.000 0.870) 5.865 4.735 ( 4.357 0.000 2.683) 5.117 4.739 ( -6.526 0.000 4.479) 7.915 4.876 ( -0.064 0.000 -5.091) 5.092 5.072 ( 0.138 0.000 -3.731) 3.734 5.074 ( 4.776 0.000 -7.371) 8.783 5.096 ( -3.936 0.000 4.516) 5.991 5.142 ( 1.051 0.000 -1.798) 2.083 5.256 ( 5.207 0.000 -0.960) 5.295 5.332 ( 2.910 0.000 -0.752) 3.006 5.403 ( 7.361 0.000 -5.700) 9.310 5.484 ( 6.487 0.000 -0.455) 6.503 5.524 ( 4.226 0.000 -1.111) 4.369 5.728 ( 5.692 0.000 -1.130) 5.803 5.786 ( -0.604 0.000 8.419) 8.441 5.935 ( -0.450 0.000 3.829) 3.855 5.969 ( 0.158 0.000 -2.159) 2.164 6.047 ( 2.068 0.000 0.908) 2.258 6.124 ( -11.551 0.000 1.411) 11.637 6.213 ( -3.232 0.000 -4.932) 5.897 6.284 ( -0.440 0.000 -4.979) 4.999 6.378 ( -11.753 0.000 6.292) 13.331 6.543 ( -5.521 0.000 5.373) 7.704 6.617 ( -3.087 0.000 3.625) 4.762 6.688 ( -1.484 0.000 -16.173) 16.241 6.825 ( 1.376 0.000 0.630) 1.513 6.899 ( -4.436 0.000 0.010) 4.436 6.930 ( -2.965 0.000 0.091) 2.967 6.943 ( 3.251 0.000 -3.990) 5.147 7.081 ( -7.041 0.000 -5.679) 9.046 7.084 ( -2.819 0.000 9.274) 9.693 7.140 ( 5.373 0.000 -3.062) 6.184 7.143 ( 3.226 0.000 1.387) 3.511 7.316 ( -1.258 0.000 10.155) 10.233 7.448 ( -13.730 0.000 -3.158) 14.088 7.700 ( -2.488 0.000 -2.035) 3.214 7.709 ( -2.684 0.000 -4.114) 4.912 7.864 ( 0.055 0.000 1.287) 1.288 7.865 ( 1.311 0.000 4.835) 5.010 7.896 ( -2.044 0.000 9.184) 9.409 7.998 ( -8.513 0.000 -0.229) 8.516 8.026 ( -9.489 0.000 4.000) 10.297 8.106 ( 10.115 0.000 -4.994) 11.281 8.178 ( 2.645 0.000 -9.984) 10.329 8.200 ( 3.113 0.000 -1.932) 3.664 8.358 ( -4.557 0.000 9.541) 10.573 8.489 ( -5.174 0.000 -2.832) 5.899 8.652 ( -6.349 0.000 3.778) 7.388 8.710 ( 4.291 0.000 -7.234) 8.410 8.840 ( 7.041 0.000 -5.083) 8.684 8.894 ( 0.070 0.000 3.179) 3.180 9.045 ( 0.432 0.000 -8.446) 8.457 9.094 ( 1.454 0.000 -3.357) 3.658 9.234 ( 2.438 0.000 11.331) 11.591 9.317 ( -7.685 0.000 -0.457) 7.698 9.429 ( 4.699 0.000 7.216) 8.611 9.474 ( -2.968 0.000 4.260) 5.192 9.477 ( 4.361 0.000 6.357) 7.709 9.607 ( -1.618 0.000 2.110) 2.659 9.780 ( -5.434 0.000 8.125) 9.775 9.826 ( 2.574 0.000 -0.940) 2.740 9.955 ( -3.301 0.000 -6.752) 7.516 10.104 ( -1.404 0.000 -5.526) 5.701 10.159 ( 3.974 0.000 -3.776) 5.481 10.176 ( 0.795 0.000 7.585) 7.626 10.320 ( 3.790 0.000 -0.604) 3.838 10.457 ( 4.723 0.000 2.380) 5.289 10.516 ( -2.002 0.000 -2.328) 3.071 10.544 ( 2.428 0.000 -1.621) 2.919 10.594 ( 5.339 0.000 -11.720) 12.879 10.663 ( -7.230 0.000 0.847) 7.280 10.744 ( -6.158 0.000 -5.798) 8.458 10.804 ( -1.202 0.000 0.057) 1.204 10.872 ( -1.117 0.000 4.313) 4.455 10.902 ( 3.952 0.000 -7.498) 8.476 10.998 ( -9.561 0.000 5.612) 11.087 11.083 ( -2.464 0.000 0.056) 2.465 11.138 ( 5.983 0.000 -6.682) 8.969 11.298 ( 0.480 0.000 2.937) 2.976 11.386 ( 9.858 0.000 -5.640) 11.357 11.550 ( -0.627 0.000 5.171) 5.209 11.634 ( -6.258 0.000 -4.201) 7.537 11.696 ( 4.341 0.000 0.800) 4.414 11.862 ( -2.959 0.000 3.009) 4.220 11.958 ( 16.223 0.000 -0.130) 16.224 12.081 ( 5.515 0.000 -4.052) 6.844 12.090 ( 6.043 0.000 -3.143) 6.811 12.241 ( -1.310 0.000 -1.155) 1.746 12.259 ( -4.529 0.000 7.021) 8.355 12.313 ( 1.377 0.000 -3.030) 3.328 12.433 ( 1.045 0.000 1.734) 2.024 12.504 ( 3.646 0.000 5.293) 6.428 12.623 ( 8.443 0.000 1.563) 8.586 12.670 ( 9.408 0.000 -5.991) 11.154 12.857 ( 6.144 0.000 -1.770) 6.394 13.008 ( -5.268 0.000 -6.587) 8.434 13.076 ( -3.920 0.000 -2.442) 4.618 13.152 ( 8.024 0.000 8.229) 11.493 13.249 ( 1.303 0.000 -3.746) 3.966 13.522 ( 4.242 0.000 -1.571) 4.523 13.580 ( 4.866 0.000 11.784) 12.750 13.697 ( 1.033 0.000 7.044) 7.120 14.090 ( 1.254 0.000 -1.752) 2.155 14.154 ( 0.083 0.000 -4.121) 4.122 14.230 ( -0.776 0.000 -9.423) 9.455 14.311 ( 4.854 0.000 0.271) 4.862 14.323 ( -3.015 0.000 -2.763) 4.089 14.667 ( -0.983 0.000 3.957) 4.077 14.808 ( 9.503 0.000 0.096) 9.504 14.917 ( 3.671 0.000 -1.016) 3.810 15.198 ( 5.026 0.000 -24.327) 24.841 15.231 ( -7.531 0.000 -1.614) 7.702 15.306 ( -5.606 0.000 1.176) 5.728 15.612 ( 0.299 0.000 -16.771) 16.774 15.784 ( 2.109 0.000 -10.754) 10.959 16.114 ( 3.689 0.000 3.078) 4.805 16.131 ( -19.586 0.000 32.142) 37.639 16.295 ( 1.715 0.000 -4.972) 5.260 16.762 ( -5.256 0.000 7.171) 8.891 16.852 ( -5.162 0.000 3.714) 6.359 16.865 ( -8.493 0.000 -1.528) 8.629 16.923 ( -7.484 0.000 -0.904) 7.539 17.073 ( -1.676 0.000 -0.502) 1.749 20.810 ( 2.907 0.000 0.336) 2.926 20.913 ( 2.326 0.000 -0.964) 2.518 20.969 ( 2.199 0.000 0.899) 2.375 21.226 ( 19.489 0.000 -57.000) 60.240 21.732 ( 0.591 0.000 -1.046) 1.202 21.807 ( 0.709 0.000 0.376) 0.803 21.968 ( 0.949 0.000 0.429) 1.041 22.394 ( 0.859 0.000 0.101) 0.865 22.469 ( -2.270 0.000 -5.256) 5.726 22.588 ( 1.595 0.000 3.261) 3.630 22.701 ( -0.901 0.000 -0.448) 1.007 22.808 ( -1.489 0.000 0.365) 1.533 23.066 ( 4.515 0.000 0.108) 4.516 23.195 ( 5.900 0.000 -0.597) 5.930 23.735 ( 2.075 0.000 3.415) 3.995 23.814 ( -14.477 0.000 43.583) 45.924 23.932 ( 3.640 0.000 2.281) 4.296 24.007 ( -1.177 0.000 2.589) 2.844 24.291 ( -7.742 0.000 -1.219) 7.837 24.428 ( -8.329 0.000 18.772) 20.537 24.557 ( 0.668 0.000 -3.717) 3.777 25.140 ( -6.754 0.000 -1.633) 6.949 25.147 ( -11.179 0.000 15.794) 19.350 25.937 ( -8.788 0.000 -1.612) 8.934 26.744 ( 3.058 0.000 -0.001) 3.058 26.774 ( 3.591 0.000 0.483) 3.623 26.804 ( 4.513 0.000 0.001) 4.513 27.140 ( 2.375 0.000 -7.177) 7.559 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 34.858 0.000 4.600) 35.161 1.685 ( 38.075 0.000 12.029) 39.930 2.459 ( 1.792 0.000 -12.854) 12.979 2.670 ( 36.189 0.000 17.638) 40.258 2.780 ( 2.029 0.000 6.847) 7.142 2.858 ( 12.111 0.000 -3.924) 12.731 2.958 ( 8.462 0.000 -0.127) 8.463 3.081 ( 1.185 0.000 -1.257) 1.728 3.082 ( 6.004 0.000 -0.982) 6.084 3.149 ( -5.979 0.000 -6.275) 8.667 3.163 ( -1.724 0.000 2.433) 2.982 3.320 ( -1.528 0.000 2.685) 3.090 3.344 ( -7.245 0.000 -1.309) 7.362 3.549 ( -5.309 0.000 -5.396) 7.570 3.559 ( 12.022 0.000 -1.773) 12.152 3.602 ( 1.664 0.000 -3.387) 3.774 3.719 ( 4.169 0.000 -3.465) 5.421 3.740 ( 1.599 0.000 -2.777) 3.204 3.938 ( -1.840 0.000 8.395) 8.594 3.944 ( -1.578 0.000 -2.540) 2.990 3.949 ( -15.950 0.000 -3.839) 16.406 4.007 ( -2.698 0.000 -4.636) 5.364 4.162 ( 1.895 0.000 3.409) 3.900 4.176 ( 8.350 0.000 0.614) 8.373 4.207 ( -0.868 0.000 -2.075) 2.249 4.315 ( 0.408 0.000 2.811) 2.841 4.324 ( -0.274 0.000 4.430) 4.439 4.431 ( 11.909 0.000 3.854) 12.517 4.449 ( -0.902 0.000 4.520) 4.609 4.536 ( -6.472 0.000 1.632) 6.675 4.690 ( 0.781 0.000 -1.841) 2.000 4.800 ( -2.563 0.000 -2.319) 3.457 4.860 ( 3.407 0.000 -2.852) 4.443 5.021 ( 5.928 0.000 -4.444) 7.409 5.055 ( 0.740 0.000 -3.363) 3.443 5.124 ( -2.102 0.000 1.484) 2.573 5.165 ( 4.315 0.000 -3.684) 5.673 5.402 ( 10.503 0.000 -0.129) 10.504 5.407 ( -2.225 0.000 -0.661) 2.321 5.455 ( 8.108 0.000 -1.985) 8.348 5.625 ( 2.443 0.000 -1.955) 3.129 5.699 ( -3.044 0.000 -4.047) 5.064 5.734 ( -1.918 0.000 6.546) 6.821 5.793 ( 2.507 0.000 -3.300) 4.144 5.829 ( -6.073 0.000 2.100) 6.426 5.935 ( 0.568 0.000 1.651) 1.746 5.964 ( -5.407 0.000 -0.800) 5.466 6.101 ( 6.284 0.000 -2.098) 6.624 6.107 ( -6.772 0.000 1.392) 6.913 6.222 ( 2.070 0.000 15.981) 16.114 6.453 ( 3.863 0.000 0.543) 3.901 6.526 ( -3.584 0.000 -4.180) 5.506 6.582 ( -1.529 0.000 3.386) 3.716 6.587 ( -0.085 0.000 2.000) 2.002 6.653 ( -18.830 0.000 -13.147) 22.965 6.815 ( 0.426 0.000 -9.143) 9.153 6.834 ( -2.604 0.000 -0.454) 2.643 6.936 ( -6.594 0.000 -3.655) 7.539 6.964 ( -0.697 0.000 -3.353) 3.424 6.976 ( -4.878 0.000 5.332) 7.227 7.158 ( -6.913 0.000 4.498) 8.248 7.245 ( 4.190 0.000 2.717) 4.994 7.246 ( -1.396 0.000 1.647) 2.160 7.326 ( -2.632 0.000 5.917) 6.476 7.516 ( -8.978 0.000 -5.257) 10.404 7.602 ( -4.646 0.000 -8.231) 9.451 7.747 ( -10.616 0.000 2.305) 10.864 7.834 ( -5.604 0.000 3.421) 6.565 7.924 ( -2.345 0.000 4.628) 5.188 7.932 ( -1.622 0.000 -4.711) 4.982 8.003 ( 1.673 0.000 8.068) 8.239 8.164 ( -0.223 0.000 -0.407) 0.464 8.263 ( 5.372 0.000 -1.256) 5.517 8.293 ( 7.325 0.000 -6.731) 9.948 8.394 ( -3.654 0.000 -0.885) 3.759 8.396 ( 7.966 0.000 8.339) 11.533 8.567 ( -2.845 0.000 3.832) 4.773 8.606 ( -4.095 0.000 -9.998) 10.804 8.900 ( -1.364 0.000 1.884) 2.326 9.007 ( 3.509 0.000 -8.814) 9.487 9.031 ( 0.739 0.000 -7.155) 7.193 9.068 ( 4.399 0.000 -2.218) 4.927 9.194 ( -3.565 0.000 -0.522) 3.603 9.311 ( -1.329 0.000 6.945) 7.071 9.408 ( -8.002 0.000 8.157) 11.427 9.430 ( -3.208 0.000 0.258) 3.218 9.559 ( -5.483 0.000 5.882) 8.041 9.663 ( 6.080 0.000 6.209) 8.690 9.727 ( -2.852 0.000 3.142) 4.243 9.834 ( -1.371 0.000 -1.856) 2.307 9.864 ( -3.065 0.000 0.399) 3.091 10.096 ( 3.833 0.000 -3.490) 5.184 10.235 ( 7.003 0.000 -2.579) 7.462 10.252 ( -1.931 0.000 0.375) 1.967 10.361 ( -0.808 0.000 -2.873) 2.984 10.423 ( -3.114 0.000 1.169) 3.326 10.445 ( 0.205 0.000 -0.629) 0.661 10.543 ( -1.879 0.000 -0.177) 1.888 10.551 ( 0.097 0.000 -5.091) 5.091 10.685 ( 0.389 0.000 4.327) 4.345 10.758 ( 1.434 0.000 7.491) 7.627 10.793 ( 4.430 0.000 -4.518) 6.327 10.846 ( -1.399 0.000 -3.553) 3.819 10.889 ( -2.884 0.000 0.932) 3.031 10.952 ( 3.243 0.000 -2.733) 4.241 11.037 ( 0.024 0.000 1.185) 1.185 11.238 ( 6.494 0.000 -3.784) 7.516 11.271 ( -3.703 0.000 -0.954) 3.824 11.484 ( 3.246 0.000 0.714) 3.324 11.551 ( -2.106 0.000 -1.778) 2.756 11.624 ( 3.477 0.000 -1.491) 3.784 11.748 ( 2.789 0.000 2.243) 3.579 11.892 ( 3.075 0.000 3.528) 4.680 11.991 ( -3.266 0.000 -4.207) 5.326 12.085 ( -4.006 0.000 -2.182) 4.562 12.214 ( 2.660 0.000 -3.181) 4.147 12.251 ( 0.460 0.000 2.197) 2.245 12.268 ( 7.183 0.000 -5.053) 8.782 12.443 ( 5.463 0.000 6.956) 8.845 12.482 ( 3.147 0.000 0.746) 3.234 12.558 ( 2.037 0.000 1.209) 2.369 12.834 ( 9.334 0.000 -4.026) 10.165 12.854 ( 10.264 0.000 -0.157) 10.265 12.907 ( -1.023 0.000 -0.524) 1.149 13.033 ( 12.887 0.000 -0.168) 12.888 13.043 ( 1.137 0.000 -0.796) 1.388 13.335 ( 9.317 0.000 -0.176) 9.319 13.427 ( 11.479 0.000 12.743) 17.151 13.494 ( -5.188 0.000 -3.385) 6.195 13.702 ( 0.152 0.000 6.662) 6.663 13.788 ( 4.508 0.000 7.603) 8.839 14.054 ( -6.009 0.000 -5.798) 8.350 14.136 ( 5.661 0.000 -7.682) 9.542 14.205 ( 3.089 0.000 -0.454) 3.122 14.320 ( 4.487 0.000 -7.606) 8.830 14.449 ( 8.680 0.000 -1.911) 8.888 14.662 ( -2.469 0.000 3.607) 4.371 14.910 ( -5.046 0.000 -1.374) 5.230 14.915 ( -2.210 0.000 -2.753) 3.530 15.077 ( -4.898 0.000 6.623) 8.237 15.190 ( 3.034 0.000 -1.371) 3.330 15.195 ( -2.931 0.000 -3.240) 4.369 15.489 ( -1.917 0.000 -14.410) 14.537 15.682 ( -8.030 0.000 -7.338) 10.877 15.936 ( -13.256 0.000 14.608) 19.726 16.216 ( 3.557 0.000 3.265) 4.828 16.289 ( 0.389 0.000 -3.056) 3.080 16.643 ( -11.078 0.000 -2.448) 11.346 16.692 ( -5.600 0.000 5.142) 7.602 16.738 ( -9.722 0.000 -0.792) 9.755 16.778 ( -4.167 0.000 4.093) 5.841 17.025 ( -2.480 0.000 -1.098) 2.713 20.885 ( 3.775 0.000 1.126) 3.939 20.963 ( 3.322 0.000 -1.736) 3.749 21.030 ( 2.905 0.000 1.528) 3.282 21.241 ( 8.523 0.000 -23.865) 25.341 21.738 ( 0.869 0.000 -1.579) 1.802 21.823 ( 0.319 0.000 1.022) 1.071 22.001 ( 2.106 0.000 1.004) 2.333 22.362 ( -4.692 0.000 -5.360) 7.123 22.418 ( 1.448 0.000 0.072) 1.449 22.649 ( 2.370 0.000 2.015) 3.111 22.672 ( -1.549 0.000 -0.511) 1.631 22.774 ( -2.271 0.000 1.101) 2.524 23.200 ( 9.199 0.000 0.077) 9.200 23.351 ( 9.019 0.000 2.363) 9.324 23.806 ( -6.318 0.000 16.734) 17.887 23.818 ( 3.186 0.000 5.228) 6.123 24.000 ( -1.641 0.000 4.027) 4.349 24.024 ( 1.089 0.000 -0.872) 1.396 24.089 ( -8.956 0.000 1.322) 9.053 24.347 ( -5.509 0.000 -1.650) 5.751 24.558 ( 2.209 0.000 -4.443) 4.962 24.994 ( -5.515 0.000 -1.270) 5.659 25.005 ( -12.340 0.000 14.455) 19.006 25.693 ( -13.528 0.000 -3.308) 13.926 26.814 ( 3.609 0.000 -0.117) 3.610 26.864 ( 4.686 0.000 0.739) 4.743 26.899 ( 4.493 0.000 0.108) 4.495 27.137 ( 0.655 0.000 -3.005) 3.075 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 29.071 0.000 3.087) 29.235 2.466 ( 31.749 0.000 7.718) 32.674 2.533 ( 12.566 0.000 -4.062) 13.206 2.697 ( -21.209 0.000 -1.453) 21.259 2.822 ( -7.157 0.000 0.146) 7.159 2.932 ( 3.228 0.000 0.813) 3.329 2.935 ( -4.865 0.000 1.228) 5.018 3.101 ( -2.028 0.000 -2.097) 2.917 3.181 ( 12.185 0.000 1.502) 12.278 3.202 ( -2.190 0.000 3.756) 4.348 3.229 ( -14.723 0.000 -8.538) 17.019 3.281 ( 1.296 0.000 4.401) 4.588 3.286 ( -3.899 0.000 -2.816) 4.810 3.418 ( 12.698 0.000 -6.403) 14.221 3.524 ( -5.506 0.000 -3.367) 6.454 3.580 ( -6.146 0.000 -4.996) 7.920 3.715 ( -0.876 0.000 -2.315) 2.475 3.736 ( -1.813 0.000 -0.698) 1.942 3.754 ( -12.135 0.000 5.942) 13.511 3.809 ( -2.221 0.000 -6.336) 6.714 4.073 ( 5.339 0.000 3.969) 6.652 4.084 ( -3.712 0.000 -0.575) 3.757 4.167 ( 13.011 0.000 9.291) 15.987 4.287 ( 3.828 0.000 1.981) 4.311 4.318 ( 7.647 0.000 -0.062) 7.648 4.364 ( 3.308 0.000 -1.007) 3.458 4.397 ( 0.517 0.000 0.412) 0.661 4.476 ( -1.943 0.000 6.292) 6.586 4.499 ( 7.920 0.000 -0.397) 7.930 4.709 ( 13.527 0.000 -0.089) 13.528 4.728 ( -2.436 0.000 -1.787) 3.022 4.845 ( 12.516 0.000 3.792) 13.078 4.886 ( 1.725 0.000 -1.896) 2.564 5.021 ( -2.412 0.000 4.399) 5.017 5.091 ( -2.536 0.000 2.589) 3.624 5.154 ( 3.661 0.000 -4.821) 6.054 5.214 ( 2.697 0.000 3.530) 4.443 5.273 ( -13.355 0.000 -0.669) 13.371 5.445 ( -2.032 0.000 -4.012) 4.498 5.476 ( -3.947 0.000 -3.623) 5.358 5.544 ( -18.942 0.000 -6.697) 20.091 5.656 ( 9.619 0.000 -5.252) 10.959 5.694 ( 9.356 0.000 -2.597) 9.710 5.850 ( 0.142 0.000 6.043) 6.045 5.854 ( 1.833 0.000 1.505) 2.372 5.943 ( 6.496 0.000 5.950) 8.810 6.008 ( -8.980 0.000 0.205) 8.983 6.046 ( 2.258 0.000 -3.048) 3.793 6.140 ( -3.041 0.000 -1.516) 3.398 6.225 ( -5.449 0.000 -5.617) 7.826 6.356 ( -4.932 0.000 -0.161) 4.934 6.454 ( 2.848 0.000 -3.745) 4.704 6.461 ( 3.027 0.000 12.521) 12.882 6.619 ( -2.396 0.000 -1.707) 2.942 6.620 ( 2.275 0.000 -2.817) 3.621 6.703 ( -5.905 0.000 -0.630) 5.939 6.736 ( -7.366 0.000 1.841) 7.593 6.830 ( 2.572 0.000 -0.175) 2.578 6.947 ( 0.130 0.000 -0.276) 0.305 7.007 ( 2.317 0.000 -4.717) 5.255 7.054 ( -4.052 0.000 4.878) 6.341 7.230 ( -3.013 0.000 3.535) 4.645 7.334 ( 2.733 0.000 1.390) 3.066 7.374 ( -0.976 0.000 -3.115) 3.265 7.396 ( 1.402 0.000 -0.123) 1.407 7.452 ( 1.342 0.000 -2.693) 3.009 7.630 ( -5.237 0.000 -0.414) 5.253 7.743 ( -10.405 0.000 -1.905) 10.578 7.746 ( -3.198 0.000 1.634) 3.592 7.936 ( -0.161 0.000 7.504) 7.506 8.006 ( -2.314 0.000 -2.894) 3.705 8.172 ( 0.583 0.000 -1.512) 1.620 8.330 ( -2.022 0.000 0.803) 2.176 8.374 ( 4.222 0.000 -1.189) 4.386 8.404 ( 6.113 0.000 0.547) 6.137 8.495 ( -1.674 0.000 -6.370) 6.586 8.606 ( 2.120 0.000 4.931) 5.368 8.642 ( 8.961 0.000 6.605) 11.132 8.854 ( -5.434 0.000 -8.982) 10.497 8.867 ( -1.681 0.000 -1.067) 1.991 9.016 ( -3.125 0.000 -1.302) 3.385 9.141 ( 2.514 0.000 0.071) 2.515 9.207 ( 5.296 0.000 -6.076) 8.060 9.293 ( -1.579 0.000 0.644) 1.705 9.293 ( -7.912 0.000 8.071) 11.302 9.357 ( -3.152 0.000 -0.003) 3.152 9.497 ( -3.080 0.000 3.156) 4.409 9.711 ( -0.511 0.000 1.607) 1.686 9.767 ( 2.105 0.000 1.470) 2.567 9.797 ( -1.129 0.000 -0.038) 1.130 9.827 ( -0.901 0.000 -0.934) 1.297 10.135 ( -3.664 0.000 -2.627) 4.508 10.140 ( 1.450 0.000 -2.440) 2.839 10.339 ( 1.773 0.000 1.587) 2.379 10.371 ( 2.269 0.000 -4.506) 5.045 10.430 ( -3.587 0.000 -3.357) 4.912 10.432 ( 4.127 0.000 9.395) 10.261 10.505 ( -0.663 0.000 2.017) 2.123 10.610 ( 3.938 0.000 -5.661) 6.896 10.675 ( -1.197 0.000 1.582) 1.983 10.688 ( -3.717 0.000 -1.613) 4.051 10.844 ( -3.569 0.000 5.132) 6.251 10.854 ( 1.916 0.000 4.128) 4.550 10.904 ( 1.736 0.000 -5.051) 5.341 10.969 ( 1.334 0.000 0.409) 1.395 11.120 ( 3.428 0.000 -3.376) 4.811 11.232 ( 2.854 0.000 3.229) 4.309 11.329 ( 3.909 0.000 -0.454) 3.935 11.433 ( -7.681 0.000 -3.426) 8.411 11.540 ( 2.138 0.000 2.125) 3.014 11.627 ( -1.478 0.000 -2.296) 2.731 11.864 ( 3.316 0.000 4.069) 5.249 11.910 ( -1.020 0.000 -2.326) 2.540 11.962 ( 1.291 0.000 -1.365) 1.879 12.025 ( 0.890 0.000 -2.166) 2.342 12.250 ( 1.599 0.000 -0.491) 1.673 12.264 ( -0.733 0.000 2.461) 2.568 12.291 ( -0.115 0.000 -2.199) 2.202 12.520 ( 0.798 0.000 -1.416) 1.625 12.532 ( 0.685 0.000 2.922) 3.001 12.613 ( 2.003 0.000 -0.227) 2.016 12.934 ( 3.589 0.000 2.765) 4.531 12.972 ( 3.152 0.000 -0.218) 3.159 13.010 ( 5.273 0.000 1.392) 5.454 13.064 ( 2.557 0.000 -1.123) 2.793 13.273 ( 7.565 0.000 0.006) 7.565 13.307 ( -9.222 0.000 -4.668) 10.336 13.530 ( 6.852 0.000 2.077) 7.160 13.686 ( 6.228 0.000 11.570) 13.140 13.719 ( 0.019 0.000 1.201) 1.201 13.876 ( -6.305 0.000 -8.366) 10.476 14.036 ( 16.173 0.000 2.713) 16.399 14.157 ( 1.192 0.000 -4.980) 5.120 14.339 ( -0.061 0.000 -5.349) 5.350 14.347 ( 7.794 0.000 6.158) 9.933 14.511 ( -14.437 0.000 1.392) 14.504 14.512 ( -2.005 0.000 -6.908) 7.193 14.766 ( -3.013 0.000 1.436) 3.337 14.939 ( 5.994 0.000 3.646) 7.016 15.076 ( 0.010 0.000 3.583) 3.583 15.171 ( 0.152 0.000 -2.851) 2.855 15.231 ( -1.062 0.000 0.167) 1.075 15.380 ( -2.217 0.000 -4.672) 5.172 15.429 ( -8.712 0.000 -4.685) 9.892 15.836 ( -3.777 0.000 4.179) 5.633 16.247 ( -1.328 0.000 0.251) 1.351 16.275 ( -0.309 0.000 -0.828) 0.884 16.492 ( -2.404 0.000 -0.114) 2.406 16.583 ( -4.551 0.000 -0.272) 4.559 16.634 ( -2.041 0.000 1.401) 2.475 16.745 ( -1.379 0.000 1.915) 2.360 16.975 ( -1.475 0.000 -0.784) 1.671 20.951 ( 1.702 0.000 0.944) 1.946 21.006 ( 1.696 0.000 -1.130) 2.038 21.085 ( 1.378 0.000 1.022) 1.716 21.249 ( 2.626 0.000 -7.581) 8.023 21.744 ( 0.474 0.000 -0.875) 0.995 21.831 ( -0.073 0.000 0.638) 0.642 22.061 ( 2.730 0.000 1.450) 3.091 22.239 ( -4.092 0.000 -3.282) 5.245 22.444 ( 0.908 0.000 0.013) 0.908 22.642 ( -0.972 0.000 -0.214) 0.995 22.696 ( 1.552 0.000 0.280) 1.577 22.739 ( -1.775 0.000 0.978) 2.026 23.410 ( 10.484 0.000 0.441) 10.493 23.542 ( 7.364 0.000 1.666) 7.550 23.774 ( -3.992 0.000 4.976) 6.380 23.793 ( -10.674 0.000 -1.769) 10.819 23.926 ( 1.464 0.000 4.842) 5.058 23.998 ( -0.832 0.000 2.895) 3.012 24.102 ( 0.799 0.000 -1.294) 1.521 24.223 ( -3.390 0.000 -4.542) 5.668 24.578 ( 1.866 0.000 -2.984) 3.519 24.888 ( -5.979 0.000 7.460) 9.561 24.957 ( 1.247 0.000 1.161) 1.704 25.425 ( -9.193 0.000 -2.953) 9.656 26.866 ( 1.528 0.000 -0.059) 1.529 26.943 ( 2.363 0.000 0.455) 2.406 26.963 ( 1.735 0.000 0.062) 1.736 27.127 ( -0.164 0.000 -1.023) 1.036 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 37.291 0.000) 37.291 0.789 ( 0.000 40.426 0.000) 40.426 1.290 ( 0.000 64.374 0.000) 64.374 2.446 ( 0.000 -12.068 0.000) 12.068 2.571 ( 0.000 -3.880 0.000) 3.880 2.675 ( 0.000 -11.997 0.000) 11.997 2.765 ( 0.000 -9.395 0.000) 9.395 2.923 ( 0.000 3.151 0.000) 3.151 3.045 ( 0.000 2.683 0.000) 2.683 3.151 ( 0.000 -0.701 0.000) 0.701 3.204 ( 0.000 -2.937 0.000) 2.937 3.262 ( 0.000 -4.797 0.000) 4.797 3.413 ( 0.000 -0.649 0.000) 0.649 3.469 ( 0.000 3.556 0.000) 3.556 3.563 ( 0.000 -6.422 0.000) 6.422 3.609 ( 0.000 3.750 0.000) 3.750 3.635 ( 0.000 -3.249 0.000) 3.249 3.717 ( 0.000 -8.405 0.000) 8.405 3.776 ( 0.000 11.171 0.000) 11.171 3.820 ( 0.000 -6.674 0.000) 6.674 3.955 ( 0.000 11.734 0.000) 11.734 3.997 ( 0.000 0.509 0.000) 0.509 4.123 ( 0.000 7.340 0.000) 7.340 4.229 ( 0.000 3.088 0.000) 3.088 4.233 ( 0.000 7.412 0.000) 7.412 4.336 ( 0.000 1.663 0.000) 1.663 4.397 ( 0.000 0.959 0.000) 0.959 4.638 ( 0.000 -3.442 0.000) 3.442 4.668 ( 0.000 12.512 0.000) 12.512 4.684 ( 0.000 -1.450 0.000) 1.450 4.863 ( 0.000 -1.269 0.000) 1.269 4.867 ( 0.000 -0.340 0.000) 0.340 4.881 ( 0.000 4.329 0.000) 4.329 4.938 ( 0.000 -9.981 0.000) 9.981 4.998 ( 0.000 -0.685 0.000) 0.685 5.078 ( 0.000 -5.918 0.000) 5.918 5.087 ( 0.000 0.926 0.000) 0.926 5.236 ( 0.000 -3.349 0.000) 3.349 5.330 ( 0.000 -9.389 0.000) 9.389 5.339 ( 0.000 11.255 0.000) 11.255 5.416 ( 0.000 -2.221 0.000) 2.221 5.466 ( 0.000 -8.988 0.000) 8.988 5.474 ( 0.000 1.419 0.000) 1.419 5.602 ( 0.000 -1.368 0.000) 1.368 5.680 ( 0.000 2.510 0.000) 2.510 5.794 ( 0.000 5.495 0.000) 5.495 5.994 ( 0.000 1.230 0.000) 1.230 6.079 ( 0.000 -1.565 0.000) 1.565 6.213 ( 0.000 -4.898 0.000) 4.898 6.345 ( 0.000 2.598 0.000) 2.598 6.382 ( 0.000 -13.706 0.000) 13.706 6.640 ( 0.000 3.090 0.000) 3.090 6.695 ( 0.000 -0.212 0.000) 0.212 6.769 ( 0.000 -11.083 0.000) 11.083 6.799 ( 0.000 5.459 0.000) 5.459 6.857 ( 0.000 -3.652 0.000) 3.652 7.010 ( 0.000 6.797 0.000) 6.797 7.017 ( 0.000 6.080 0.000) 6.080 7.071 ( 0.000 11.737 0.000) 11.737 7.140 ( 0.000 -0.374 0.000) 0.374 7.172 ( 0.000 2.531 0.000) 2.531 7.323 ( 0.000 2.031 0.000) 2.031 7.495 ( 0.000 -14.759 0.000) 14.759 7.572 ( 0.000 -8.731 0.000) 8.731 7.624 ( 0.000 1.657 0.000) 1.657 7.764 ( 0.000 0.805 0.000) 0.805 7.811 ( 0.000 -3.117 0.000) 3.117 7.901 ( 0.000 5.462 0.000) 5.462 7.956 ( 0.000 3.315 0.000) 3.315 7.960 ( 0.000 -2.126 0.000) 2.126 8.069 ( 0.000 -3.389 0.000) 3.389 8.154 ( 0.000 0.158 0.000) 0.158 8.211 ( 0.000 2.801 0.000) 2.801 8.297 ( 0.000 -2.435 0.000) 2.435 8.426 ( 0.000 -2.987 0.000) 2.987 8.567 ( 0.000 -8.496 0.000) 8.496 8.717 ( 0.000 8.063 0.000) 8.063 8.836 ( 0.000 -3.083 0.000) 3.083 8.938 ( 0.000 5.179 0.000) 5.179 8.967 ( 0.000 0.615 0.000) 0.615 9.110 ( 0.000 -4.518 0.000) 4.518 9.166 ( 0.000 -3.119 0.000) 3.119 9.200 ( 0.000 8.065 0.000) 8.065 9.391 ( 0.000 -1.648 0.000) 1.648 9.408 ( 0.000 -1.129 0.000) 1.129 9.532 ( 0.000 0.581 0.000) 0.581 9.549 ( 0.000 -2.009 0.000) 2.009 9.552 ( 0.000 1.631 0.000) 1.631 9.714 ( 0.000 4.463 0.000) 4.463 9.904 ( 0.000 -0.847 0.000) 0.847 10.090 ( 0.000 -3.727 0.000) 3.727 10.103 ( 0.000 6.794 0.000) 6.794 10.128 ( 0.000 -1.157 0.000) 1.157 10.228 ( 0.000 2.873 0.000) 2.873 10.251 ( 0.000 -0.808 0.000) 0.808 10.402 ( 0.000 4.332 0.000) 4.332 10.497 ( 0.000 -0.338 0.000) 0.338 10.530 ( 0.000 0.567 0.000) 0.567 10.743 ( 0.000 -7.159 0.000) 7.159 10.750 ( 0.000 0.445 0.000) 0.445 10.771 ( 0.000 -2.827 0.000) 2.827 10.807 ( 0.000 6.360 0.000) 6.360 10.876 ( 0.000 4.002 0.000) 4.002 10.974 ( 0.000 -9.816 0.000) 9.816 11.064 ( 0.000 3.278 0.000) 3.278 11.078 ( 0.000 -3.748 0.000) 3.748 11.193 ( 0.000 6.512 0.000) 6.512 11.234 ( 0.000 2.721 0.000) 2.721 11.321 ( 0.000 -1.336 0.000) 1.336 11.453 ( 0.000 -4.861 0.000) 4.861 11.584 ( 0.000 4.340 0.000) 4.340 11.607 ( 0.000 -1.099 0.000) 1.099 11.756 ( 0.000 3.878 0.000) 3.878 11.803 ( 0.000 -7.366 0.000) 7.366 11.903 ( 0.000 -3.973 0.000) 3.973 11.991 ( 0.000 7.743 0.000) 7.743 12.002 ( 0.000 -2.297 0.000) 2.297 12.302 ( 0.000 -2.343 0.000) 2.343 12.310 ( 0.000 -1.912 0.000) 1.912 12.355 ( 0.000 -3.104 0.000) 3.104 12.384 ( 0.000 4.074 0.000) 4.074 12.501 ( 0.000 8.689 0.000) 8.689 12.598 ( 0.000 -0.163 0.000) 0.163 12.791 ( 0.000 -1.768 0.000) 1.768 13.037 ( 0.000 0.340 0.000) 0.340 13.056 ( 0.000 -7.335 0.000) 7.335 13.135 ( 0.000 2.381 0.000) 2.381 13.160 ( 0.000 -2.534 0.000) 2.534 13.391 ( 0.000 0.646 0.000) 0.646 13.467 ( 0.000 -2.569 0.000) 2.569 13.688 ( 0.000 2.988 0.000) 2.988 13.907 ( 0.000 -9.063 0.000) 9.063 14.176 ( 0.000 -6.018 0.000) 6.018 14.227 ( 0.000 6.028 0.000) 6.028 14.264 ( 0.000 -2.283 0.000) 2.283 14.504 ( 0.000 -9.935 0.000) 9.935 14.505 ( 0.000 6.715 0.000) 6.715 14.665 ( 0.000 0.289 0.000) 0.289 14.912 ( 0.000 0.008 0.000) 0.008 14.933 ( 0.000 0.916 0.000) 0.916 15.373 ( 0.000 4.747 0.000) 4.747 15.464 ( 0.000 3.171 0.000) 3.171 15.560 ( 0.000 7.243 0.000) 7.243 15.716 ( 0.000 4.385 0.000) 4.385 15.849 ( 0.000 0.287 0.000) 0.287 16.150 ( 0.000 -6.621 0.000) 6.621 16.337 ( 0.000 4.881 0.000) 4.881 16.805 ( 0.000 1.126 0.000) 1.126 16.809 ( 0.000 -6.165 0.000) 6.165 16.976 ( 0.000 -1.097 0.000) 1.097 17.056 ( 0.000 0.326 0.000) 0.326 17.074 ( 0.000 -0.693 0.000) 0.693 20.663 ( 0.000 2.287 0.000) 2.287 20.797 ( 0.000 1.791 0.000) 1.791 20.903 ( 0.000 -3.812 0.000) 3.812 21.001 ( 0.000 -3.326 0.000) 3.326 21.740 ( 0.000 0.976 0.000) 0.976 21.792 ( 0.000 -0.462 0.000) 0.462 22.021 ( 0.000 6.155 0.000) 6.155 22.458 ( 0.000 7.117 0.000) 7.117 22.462 ( 0.000 -4.535 0.000) 4.535 22.752 ( 0.000 4.009 0.000) 4.009 22.824 ( 0.000 5.760 0.000) 5.760 22.963 ( 0.000 -5.436 0.000) 5.436 23.056 ( 0.000 -3.668 0.000) 3.668 23.269 ( 0.000 -3.530 0.000) 3.530 23.730 ( 0.000 2.580 0.000) 2.580 23.854 ( 0.000 -0.239 0.000) 0.239 23.998 ( 0.000 -1.017 0.000) 1.017 24.244 ( 0.000 -8.828 0.000) 8.828 24.360 ( 0.000 1.463 0.000) 1.463 24.488 ( 0.000 -1.476 0.000) 1.476 24.609 ( 0.000 4.001 0.000) 4.001 24.977 ( 0.000 -8.753 0.000) 8.753 25.525 ( 0.000 18.159 0.000) 18.159 26.387 ( 0.000 -7.617 0.000) 7.617 26.706 ( 0.000 0.254 0.000) 0.254 26.716 ( 0.000 0.412 0.000) 0.412 26.731 ( 0.000 -0.340 0.000) 0.340 26.765 ( 0.000 -0.955 0.000) 0.955 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 26.089 25.054 1.815) 36.217 1.169 ( 27.155 26.315 9.250) 38.929 1.896 ( 44.446 39.393 19.346) 62.462 2.511 ( -2.001 -6.614 -8.773) 11.168 2.535 ( 7.799 -11.231 2.871) 13.971 2.680 ( -1.899 -5.841 8.820) 10.748 2.841 ( 12.355 -7.869 -8.479) 16.925 2.932 ( 1.527 8.082 2.677) 8.650 3.125 ( 0.206 -0.425 -0.665) 0.816 3.152 ( -0.633 -4.261 -0.310) 4.319 3.217 ( 2.284 -0.142 -0.760) 2.411 3.278 ( 2.805 -4.643 -1.059) 5.527 3.416 ( 0.591 -2.774 -2.962) 4.101 3.470 ( 0.328 0.169 -1.598) 1.640 3.527 ( -0.746 0.783 -5.503) 5.608 3.646 ( 0.051 3.537 -2.241) 4.187 3.687 ( 1.364 0.197 2.852) 3.168 3.726 ( 0.767 -7.693 5.193) 9.314 3.757 ( 1.685 3.574 -0.108) 3.953 3.847 ( -2.694 -1.657 -1.435) 3.473 3.947 ( 6.333 -5.417 4.883) 9.658 4.090 ( 5.956 3.148 -0.801) 6.784 4.156 ( 2.657 3.321 -4.122) 5.923 4.190 ( -0.056 3.907 -2.272) 4.520 4.258 ( 0.589 6.800 6.298) 9.288 4.299 ( -3.765 1.462 -1.623) 4.353 4.375 ( -4.011 2.493 1.389) 4.922 4.561 ( -7.461 5.995 -3.385) 10.152 4.627 ( -3.343 2.143 0.436) 3.995 4.667 ( -3.221 -0.074 -2.013) 3.800 4.708 ( -4.575 4.527 3.795) 7.472 4.775 ( -0.977 1.955 3.001) 3.713 4.854 ( 1.161 -2.320 -4.848) 5.498 5.001 ( -4.780 -4.554 -1.438) 6.757 5.085 ( 2.287 -0.285 0.174) 2.311 5.123 ( 2.578 -1.200 0.345) 2.865 5.192 ( 10.807 3.876 -4.744) 12.423 5.303 ( 4.394 -2.975 -2.218) 5.751 5.332 ( 4.530 1.358 -1.411) 4.935 5.391 ( 2.969 3.430 1.893) 4.916 5.468 ( 2.763 -4.459 -2.198) 5.688 5.522 ( 3.322 -3.293 0.730) 4.734 5.643 ( 5.577 -7.605 -0.395) 9.439 5.724 ( 4.594 -0.843 -0.677) 4.720 5.817 ( 18.953 -13.687 3.804) 23.686 5.867 ( 2.722 3.463 6.249) 7.645 6.001 ( 3.091 2.552 -0.477) 4.036 6.054 ( -4.542 -3.236 -0.160) 5.579 6.146 ( -11.999 0.113 -1.711) 12.121 6.243 ( -3.536 -5.808 -2.985) 7.426 6.313 ( 0.098 -3.978 3.519) 5.312 6.525 ( -10.600 -0.746 0.626) 10.644 6.614 ( -1.312 -2.266 -7.708) 8.140 6.752 ( -1.745 5.596 5.310) 7.910 6.815 ( 1.661 -1.567 0.852) 2.438 6.874 ( -0.874 -0.676 -6.077) 6.177 6.935 ( -4.453 3.944 -1.785) 6.210 6.981 ( -4.417 4.010 1.544) 6.163 7.080 ( -4.228 -0.886 -3.549) 5.590 7.129 ( 1.056 2.007 -0.521) 2.327 7.196 ( 0.629 -0.903 2.453) 2.688 7.297 ( -3.689 2.653 3.725) 5.876 7.349 ( -12.777 -5.794 1.832) 14.149 7.527 ( -5.160 4.892 -4.022) 8.169 7.591 ( -3.126 -4.634 -0.106) 5.591 7.724 ( -4.589 0.251 0.197) 4.600 7.827 ( -0.352 -1.593 1.622) 2.300 7.885 ( -1.689 0.426 2.675) 3.192 7.913 ( 1.493 4.651 1.540) 5.122 8.001 ( -1.213 -2.087 1.988) 3.127 8.013 ( -5.681 0.953 0.544) 5.786 8.144 ( 3.742 1.478 -3.084) 5.069 8.246 ( 0.173 2.845 -1.768) 3.354 8.302 ( -4.509 2.907 1.639) 5.609 8.353 ( -3.268 2.249 -2.262) 4.567 8.516 ( -9.294 3.309 -1.950) 10.057 8.602 ( -0.047 -3.900 1.777) 4.286 8.803 ( -6.601 1.961 -6.696) 9.605 8.871 ( 1.409 4.565 -1.084) 4.899 8.920 ( 2.697 2.228 -0.757) 3.579 9.019 ( -2.583 1.286 -6.153) 6.796 9.082 ( -1.654 -0.181 2.251) 2.799 9.241 ( -5.702 1.864 -3.505) 6.948 9.328 ( 0.522 -6.213 8.206) 10.306 9.439 ( 2.596 7.473 9.961) 12.721 9.459 ( 1.057 -1.300 4.508) 4.809 9.481 ( -1.608 -0.056 1.597) 2.267 9.651 ( 0.934 3.478 3.225) 4.834 9.786 ( -2.886 0.778 4.462) 5.370 9.814 ( 2.229 -0.354 -2.255) 3.191 9.973 ( -2.200 1.255 -6.368) 6.853 10.101 ( 0.946 -1.504 -0.128) 1.781 10.173 ( 2.990 1.386 -3.892) 5.100 10.211 ( -0.607 3.268 6.259) 7.087 10.380 ( 1.012 4.003 -1.144) 4.285 10.439 ( 5.051 -2.798 -10.417) 11.910 10.458 ( -0.846 -4.194 -3.449) 5.496 10.534 ( 0.005 1.010 -0.128) 1.018 10.544 ( -3.153 -2.143 -0.293) 3.824 10.717 ( -4.430 3.739 2.831) 6.451 10.772 ( -0.435 -3.658 1.824) 4.111 10.786 ( -4.657 2.920 -5.254) 7.604 10.829 ( -4.100 0.321 0.100) 4.114 10.940 ( 0.975 2.348 -2.815) 3.793 11.057 ( -2.567 0.606 2.759) 3.817 11.146 ( 3.052 -0.855 -2.764) 4.205 11.183 ( 0.059 2.915 -0.248) 2.926 11.220 ( 3.456 2.570 -3.331) 5.444 11.371 ( 5.198 -2.133 -3.134) 6.433 11.484 ( 4.008 -5.948 2.653) 7.647 11.580 ( -4.904 -4.926 -7.243) 10.039 11.667 ( 2.598 -0.900 4.760) 5.497 11.852 ( -5.741 -1.134 4.378) 7.308 11.924 ( 10.513 -5.724 -0.348) 11.976 11.979 ( 10.314 -2.820 -4.721) 11.688 12.150 ( 7.295 -0.425 0.526) 7.326 12.231 ( 2.750 3.301 0.628) 4.342 12.303 ( -0.652 1.949 4.475) 4.924 12.359 ( 5.113 1.090 0.233) 5.233 12.409 ( -0.060 -1.016 0.371) 1.083 12.510 ( 6.612 -1.026 2.939) 7.308 12.535 ( 11.928 0.497 4.091) 12.620 12.687 ( 8.662 -0.262 -2.704) 9.078 12.824 ( 5.773 -2.405 -0.252) 6.259 13.003 ( -1.316 -4.538 -8.728) 9.925 13.047 ( -4.294 -1.957 -5.218) 7.036 13.128 ( 5.426 -7.669 1.599) 9.529 13.168 ( 5.088 1.579 1.184) 5.457 13.491 ( 4.466 -0.983 0.038) 4.573 13.590 ( 5.915 0.695 12.504) 13.850 13.707 ( 1.540 0.322 1.062) 1.898 13.963 ( 2.592 -6.747 6.983) 10.050 14.123 ( 0.551 -7.570 -11.717) 13.960 14.226 ( -0.696 5.755 -2.599) 6.353 14.322 ( 3.545 1.994 1.810) 4.452 14.452 ( 1.958 1.773 -5.237) 5.866 14.537 ( -1.283 -5.201 6.474) 8.403 14.784 ( 8.484 -1.735 -1.275) 8.753 14.934 ( 1.831 -0.583 -2.921) 3.497 15.116 ( 9.298 -6.609 -6.557) 13.157 15.267 ( -7.055 2.565 -7.827) 10.845 15.410 ( -4.799 3.402 0.712) 5.925 15.563 ( 2.596 -1.655 -10.354) 10.802 15.714 ( -2.510 1.279 6.289) 6.891 15.861 ( -2.385 -1.017 9.970) 10.301 16.208 ( -1.253 -3.723 11.932) 12.562 16.339 ( 0.713 3.224 -0.701) 3.376 16.705 ( -7.556 -3.104 1.223) 8.260 16.769 ( -5.348 -2.960 1.041) 6.201 16.913 ( -6.814 0.592 0.151) 6.841 16.957 ( -7.821 1.493 -1.189) 8.051 17.042 ( -2.472 -2.520 -0.501) 3.566 20.787 ( 7.681 -4.109 -3.674) 9.454 20.831 ( 3.807 0.160 0.030) 3.810 20.931 ( 2.526 -3.491 0.452) 4.333 21.052 ( 7.647 -6.425 -10.192) 14.270 21.744 ( 1.012 1.257 -1.687) 2.334 21.803 ( 0.858 -0.406 0.383) 1.023 22.036 ( 1.275 6.398 1.016) 6.602 22.446 ( 0.264 1.020 -0.761) 1.300 22.504 ( 1.783 2.739 1.773) 3.718 22.747 ( -0.388 4.382 -1.002) 4.512 22.788 ( -3.139 6.756 -0.175) 7.452 23.006 ( 2.201 -3.460 -1.104) 4.247 23.043 ( -2.007 6.462 -7.463) 10.074 23.170 ( 1.472 -0.470 -7.620) 7.775 23.729 ( -1.081 1.243 4.053) 4.374 23.883 ( 0.527 -0.269 4.138) 4.180 23.995 ( -0.846 -0.835 1.126) 1.638 24.021 ( -14.112 10.254 2.192) 17.581 24.200 ( -4.099 -5.065 -0.362) 6.525 24.504 ( -3.888 -1.092 12.674) 13.302 24.536 ( -4.722 3.153 1.307) 5.827 24.894 ( -8.143 -9.655 4.285) 13.338 25.462 ( -8.966 16.701 5.441) 19.721 26.021 ( -16.742 3.973 -0.711) 17.222 26.746 ( 3.024 0.248 0.016) 3.035 26.770 ( 3.577 -0.321 0.418) 3.616 26.799 ( 4.689 -0.363 -0.083) 4.704 26.996 ( 9.218 -10.078 -3.311) 14.053 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 30.964 13.822 4.008) 34.145 1.823 ( 31.533 12.806 11.213) 35.834 2.452 ( 4.565 -0.826 -11.181) 12.105 2.715 ( 11.281 -1.064 4.644) 12.246 2.772 ( 6.483 -5.898 10.924) 14.005 2.819 ( 15.084 0.400 5.523) 16.068 3.000 ( 0.564 -0.145 -4.757) 4.792 3.032 ( 12.613 2.130 0.825) 12.819 3.098 ( 0.807 0.295 -0.329) 0.920 3.144 ( 6.623 2.038 -2.053) 7.227 3.186 ( -4.200 1.512 -0.341) 4.477 3.314 ( -3.131 -0.885 -1.359) 3.526 3.363 ( -1.632 0.292 -3.514) 3.885 3.379 ( -4.887 -10.973 -3.247) 12.444 3.527 ( -4.573 -2.145 -2.818) 5.784 3.579 ( 6.165 -1.391 -3.744) 7.345 3.658 ( -3.630 0.976 -2.661) 4.605 3.754 ( 3.770 -0.847 0.382) 3.883 3.843 ( -1.687 -1.764 0.548) 2.501 3.925 ( 5.423 -3.427 -0.574) 6.441 4.007 ( -11.362 -0.369 -0.571) 11.382 4.104 ( -0.112 -1.950 -0.504) 2.018 4.125 ( 5.950 -1.069 -0.151) 6.047 4.153 ( 0.289 4.462 2.575) 5.159 4.244 ( 2.446 -0.549 -0.255) 2.519 4.358 ( 1.236 3.569 10.333) 11.001 4.441 ( 4.368 10.753 3.846) 12.227 4.479 ( 4.227 7.825 0.049) 8.894 4.563 ( -4.190 4.789 -2.653) 6.895 4.604 ( -0.524 2.931 -2.858) 4.127 4.656 ( -0.119 3.977 1.412) 4.222 4.827 ( -3.383 0.326 0.955) 3.530 4.855 ( 3.458 0.272 -2.529) 4.293 4.997 ( 11.472 1.505 -2.009) 11.743 5.096 ( -0.302 1.874 -1.653) 2.517 5.124 ( -0.132 1.846 -0.668) 1.967 5.259 ( -0.889 3.701 -3.797) 5.377 5.396 ( 3.970 2.023 0.447) 4.478 5.420 ( 6.373 0.951 -4.533) 7.878 5.498 ( 1.768 0.343 -3.019) 3.515 5.537 ( 4.141 -9.922 3.418) 11.281 5.619 ( 4.653 -1.796 1.392) 5.178 5.734 ( 1.925 -5.243 -4.150) 6.958 5.786 ( -4.429 1.207 -4.205) 6.225 5.866 ( -2.722 0.579 4.158) 5.003 5.880 ( 0.251 -1.564 1.446) 2.145 5.925 ( -3.338 -4.290 6.116) 8.182 6.073 ( 1.178 -0.922 -1.567) 2.166 6.102 ( 3.966 -0.262 -4.118) 5.724 6.228 ( 5.123 2.192 10.881) 12.225 6.346 ( -3.036 -7.054 0.505) 7.696 6.519 ( 10.438 -2.564 -1.022) 10.796 6.583 ( -0.924 3.185 -4.561) 5.639 6.683 ( -11.834 4.551 -3.900) 13.266 6.725 ( -4.442 6.536 1.530) 8.050 6.779 ( -8.955 0.903 -3.752) 9.751 6.877 ( 0.267 -4.441 0.668) 4.499 6.889 ( -3.588 1.920 -5.029) 6.469 6.975 ( -0.025 0.655 -1.661) 1.785 7.052 ( -11.354 2.505 -1.182) 11.687 7.163 ( -1.374 -2.750 7.508) 8.113 7.183 ( -3.758 1.351 1.971) 4.453 7.277 ( -2.127 0.080 2.174) 3.043 7.415 ( -2.449 3.015 -0.148) 3.887 7.448 ( -8.680 -3.668 -2.501) 9.750 7.611 ( -6.200 2.123 -3.667) 7.510 7.764 ( -13.326 -0.140 3.494) 13.777 7.790 ( -5.933 -2.761 0.192) 6.546 7.878 ( -2.458 -2.704 1.071) 3.808 7.970 ( -2.397 1.950 2.538) 3.999 8.005 ( 1.344 0.489 1.594) 2.141 8.121 ( -3.340 -1.212 -0.809) 3.644 8.240 ( 7.750 -0.727 -4.713) 9.099 8.353 ( -0.004 1.833 1.976) 2.695 8.387 ( 0.056 -0.193 -4.119) 4.124 8.434 ( 8.517 4.991 3.979) 10.644 8.570 ( -4.062 -2.715 3.643) 6.095 8.646 ( -3.849 2.547 -7.934) 9.179 8.888 ( -3.406 -0.174 2.355) 4.144 9.004 ( 5.052 -1.204 -4.556) 6.909 9.024 ( 3.418 -1.776 -2.830) 4.780 9.042 ( -1.849 0.340 -2.398) 3.047 9.114 ( -2.124 -1.994 -4.137) 5.060 9.319 ( -5.139 -4.445 7.013) 9.765 9.403 ( -3.351 -1.303 -1.412) 3.862 9.516 ( -3.390 6.995 8.653) 11.631 9.531 ( 0.268 -0.566 1.010) 1.189 9.647 ( -4.991 0.751 6.354) 8.115 9.802 ( 2.450 4.475 2.859) 5.848 9.844 ( 1.821 0.226 0.012) 1.834 9.901 ( -1.615 4.982 -0.519) 5.263 10.138 ( 2.386 1.936 -0.573) 3.126 10.214 ( -1.139 -1.758 -5.935) 6.294 10.265 ( 2.433 1.518 2.668) 3.917 10.307 ( 0.458 -3.023 -2.518) 3.961 10.408 ( -1.577 -0.991 -3.972) 4.387 10.455 ( 1.408 1.485 2.626) 3.330 10.543 ( -0.270 -1.683 1.406) 2.209 10.564 ( 1.822 -5.463 0.274) 5.766 10.641 ( -1.160 4.811 -3.853) 6.272 10.710 ( -2.528 -7.740 1.498) 8.279 10.739 ( -4.141 -1.223 -0.160) 4.321 10.833 ( 4.857 2.112 2.204) 5.736 10.949 ( -1.683 4.272 -4.498) 6.428 11.017 ( 0.416 -0.707 -0.949) 1.254 11.137 ( 1.607 10.926 -0.777) 11.071 11.180 ( -1.542 -6.752 0.900) 6.984 11.308 ( 6.377 5.102 -3.934) 9.065 11.450 ( -1.864 -7.714 -2.723) 8.390 11.511 ( 6.935 -3.395 -0.973) 7.782 11.550 ( -0.653 -0.623 -3.486) 3.601 11.764 ( 2.339 1.546 6.942) 7.487 11.811 ( 1.973 -7.199 4.440) 8.685 12.014 ( -2.476 -1.333 -6.630) 7.202 12.048 ( 1.345 -2.039 0.323) 2.464 12.196 ( 2.140 -1.130 -4.688) 5.276 12.250 ( -3.052 1.594 3.776) 5.110 12.346 ( 4.915 4.395 -1.360) 6.732 12.453 ( 4.532 0.559 1.021) 4.679 12.499 ( -1.083 2.649 4.951) 5.718 12.597 ( 7.793 3.643 1.208) 8.687 12.797 ( 9.851 -3.485 -0.019) 10.449 12.827 ( 7.546 -3.169 0.195) 8.187 12.897 ( 0.813 -3.857 -1.758) 4.316 12.979 ( 0.870 -0.122 -3.936) 4.032 13.103 ( 14.731 3.869 -1.782) 15.334 13.279 ( 6.593 -5.690 1.991) 8.933 13.324 ( 8.217 -6.803 2.643) 10.990 13.556 ( 3.345 3.262 3.498) 5.837 13.710 ( 3.192 2.185 2.731) 4.735 13.789 ( 4.133 -1.358 3.872) 5.824 14.056 ( 1.447 -2.789 3.962) 5.057 14.109 ( -0.562 -0.921 -4.421) 4.551 14.166 ( 3.768 3.073 -5.497) 7.339 14.426 ( 7.968 2.649 -5.206) 9.880 14.492 ( -0.238 5.842 -1.760) 6.106 14.567 ( 2.499 -7.880 5.817) 10.108 14.839 ( -4.683 -3.586 -4.427) 7.375 14.963 ( 0.709 1.684 -1.503) 2.367 15.075 ( -6.754 0.468 3.313) 7.537 15.083 ( -3.252 -3.961 -7.033) 8.702 15.363 ( 0.352 4.072 -0.750) 4.155 15.500 ( -1.074 1.079 -11.159) 11.262 15.641 ( -8.934 -1.814 1.243) 9.201 15.867 ( -3.665 -0.819 9.333) 10.060 16.231 ( -1.002 -0.133 6.796) 6.870 16.334 ( -0.918 2.931 -2.071) 3.704 16.562 ( -8.420 -7.430 1.366) 11.312 16.655 ( -5.846 -1.101 2.108) 6.311 16.748 ( -8.528 0.484 1.532) 8.678 16.796 ( -6.663 1.486 -1.054) 6.907 16.987 ( -2.585 -3.829 -0.929) 4.712 20.876 ( 3.889 -1.173 0.112) 4.063 20.918 ( 4.547 -2.726 -1.727) 5.576 20.994 ( 3.058 -3.166 1.116) 4.541 21.123 ( 6.007 -7.898 -11.112) 14.898 21.755 ( 1.228 1.661 -2.186) 3.008 21.824 ( 0.869 -0.066 0.448) 0.980 22.086 ( 2.861 7.194 2.224) 8.055 22.436 ( -1.801 0.508 -2.355) 3.008 22.518 ( -0.743 10.227 -0.677) 10.277 22.709 ( -1.567 5.159 0.234) 5.397 22.752 ( -0.303 7.052 -0.779) 7.101 22.869 ( -3.708 9.990 -6.373) 12.417 23.148 ( 8.129 -4.818 2.075) 9.675 23.276 ( 8.220 -7.198 1.051) 10.976 23.714 ( -6.747 -6.610 10.995) 14.495 23.869 ( -1.050 1.736 2.448) 3.179 23.955 ( -4.736 -1.942 -1.937) 5.472 23.968 ( 0.656 -4.045 0.455) 4.123 24.119 ( -3.274 3.489 3.115) 5.709 24.445 ( -1.301 2.709 -6.121) 6.819 24.505 ( -1.670 -1.441 4.640) 5.138 24.802 ( -3.459 -6.940 6.565) 10.160 25.270 ( -12.785 13.979 4.715) 19.522 25.702 ( -15.541 0.242 -2.731) 15.780 26.816 ( 3.605 0.245 -0.059) 3.614 26.858 ( 4.469 -0.630 0.627) 4.557 26.897 ( 4.677 0.007 -0.005) 4.677 27.078 ( 2.596 -5.269 -2.171) 6.262 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 26.420 8.213 3.696) 27.913 2.499 ( 28.532 2.213 10.303) 30.416 2.562 ( 11.069 3.381 -4.994) 12.606 2.740 ( -16.843 3.724 -2.372) 17.412 2.825 ( -3.017 -0.160 -0.181) 3.027 2.869 ( -4.633 -3.492 -1.147) 5.914 2.932 ( 0.142 -4.890 2.340) 5.423 3.047 ( -12.051 -2.083 -4.107) 12.901 3.072 ( 6.406 -6.824 0.081) 9.360 3.182 ( 0.490 -5.193 0.356) 5.228 3.231 ( -4.383 -0.201 -4.417) 6.226 3.270 ( 2.883 0.224 3.203) 4.315 3.325 ( 0.356 -11.485 0.269) 11.494 3.371 ( -1.919 4.935 -2.186) 5.729 3.408 ( -2.041 -2.316 -5.549) 6.350 3.526 ( -1.768 -5.303 -0.722) 5.637 3.576 ( -4.198 -5.982 -2.370) 7.683 3.715 ( -6.757 2.121 -3.589) 7.939 3.809 ( 4.156 1.640 -1.764) 4.804 3.953 ( -8.286 3.818 -0.468) 9.135 3.986 ( -1.232 -3.097 0.590) 3.385 4.126 ( 9.742 0.463 7.826) 12.504 4.237 ( -0.996 4.085 2.893) 5.104 4.343 ( 4.959 3.021 -0.096) 5.808 4.417 ( 11.953 3.868 -1.134) 12.615 4.418 ( 1.439 4.206 0.403) 4.463 4.465 ( 5.148 6.825 5.408) 10.115 4.489 ( 1.198 0.656 -0.961) 1.670 4.578 ( 3.501 10.350 -0.032) 10.926 4.641 ( 7.060 1.663 1.863) 7.489 4.761 ( -0.336 -1.353 2.969) 3.280 4.863 ( 3.278 -0.228 1.239) 3.512 4.918 ( 7.495 7.877 -0.147) 10.874 5.043 ( -1.035 3.215 2.630) 4.280 5.065 ( -4.906 -1.689 -1.602) 5.431 5.192 ( -1.655 1.896 -3.042) 3.948 5.234 ( 5.519 3.050 1.107) 6.402 5.364 ( -2.981 6.926 0.506) 7.557 5.402 ( -2.658 -3.524 -2.632) 5.140 5.491 ( -7.301 -0.253 -4.267) 8.460 5.552 ( -6.437 1.687 -2.156) 6.995 5.638 ( 8.037 -2.167 -6.003) 10.262 5.725 ( 4.840 1.430 0.271) 5.054 5.796 ( -4.211 0.092 3.304) 5.353 5.869 ( 6.406 -5.286 3.934) 9.190 5.938 ( -0.353 -3.401 4.877) 5.956 6.021 ( 5.760 2.693 1.182) 6.468 6.084 ( 1.523 3.757 -6.000) 7.241 6.119 ( -1.124 -1.564 -0.142) 1.931 6.228 ( -5.849 -2.416 -3.333) 7.153 6.306 ( -8.455 1.837 -4.342) 9.680 6.467 ( 4.301 5.689 3.985) 8.170 6.585 ( -0.343 3.782 4.225) 5.681 6.597 ( -3.165 -1.799 -3.689) 5.183 6.631 ( 1.375 0.688 -3.283) 3.625 6.710 ( -2.905 -0.039 4.533) 5.384 6.747 ( -5.417 4.028 -0.335) 6.759 6.909 ( 1.062 4.450 -3.542) 5.785 6.943 ( -1.400 1.074 3.536) 3.951 6.998 ( 4.037 -0.550 -1.795) 4.452 7.094 ( -6.099 4.211 1.916) 7.656 7.182 ( -0.873 -4.650 3.797) 6.066 7.284 ( 1.399 -4.105 -2.491) 5.001 7.338 ( -0.658 -2.733 -0.602) 2.874 7.409 ( -2.835 -0.707 0.385) 2.947 7.461 ( 1.026 1.608 -1.106) 2.205 7.610 ( -3.051 -3.448 -1.442) 4.824 7.692 ( -6.955 -2.726 1.896) 7.707 7.705 ( -9.008 -3.315 -0.317) 9.604 7.950 ( 0.072 1.405 4.463) 4.680 8.006 ( -2.044 0.065 -2.231) 3.027 8.135 ( 2.728 -4.509 -1.484) 5.475 8.292 ( -1.264 -3.844 -0.715) 4.109 8.390 ( 3.577 1.182 1.983) 4.257 8.431 ( 4.456 2.133 -2.072) 5.357 8.504 ( -1.626 -4.022 -0.726) 4.399 8.566 ( -1.892 1.250 -3.085) 3.829 8.642 ( 6.050 1.186 5.938) 8.559 8.857 ( -0.135 -0.214 1.885) 1.902 8.896 ( -5.625 3.201 -6.688) 9.307 8.998 ( -1.535 -0.630 -0.430) 1.714 9.088 ( 2.152 -3.903 0.579) 4.494 9.163 ( 5.585 -3.895 -6.254) 9.245 9.247 ( -6.614 -4.534 7.919) 11.270 9.349 ( 0.997 3.766 -4.632) 6.053 9.451 ( -5.629 5.462 4.060) 8.832 9.489 ( -2.759 1.881 0.122) 3.341 9.606 ( -1.411 -4.669 1.958) 5.256 9.822 ( -0.310 0.233 0.919) 0.997 9.896 ( 1.147 7.323 2.511) 7.826 9.911 ( 1.259 8.944 -1.201) 9.111 10.122 ( -1.580 -0.776 -3.358) 3.791 10.149 ( -1.442 1.312 -0.893) 2.145 10.270 ( 1.434 -4.761 -0.887) 5.051 10.383 ( -0.123 -0.255 0.861) 0.906 10.414 ( 2.957 0.123 0.528) 3.006 10.471 ( -1.621 2.126 3.296) 4.243 10.530 ( 1.566 1.669 1.802) 2.913 10.606 ( 1.101 -3.896 -3.975) 5.674 10.649 ( 1.167 0.317 1.901) 2.253 10.676 ( -0.887 -1.047 -2.846) 3.159 10.729 ( 2.493 -8.527 1.196) 8.964 10.803 ( -5.496 -2.123 0.151) 5.894 10.922 ( 0.475 0.881 -0.649) 1.193 11.093 ( 3.526 5.990 1.120) 7.041 11.142 ( 0.399 1.234 -2.697) 2.993 11.202 ( 2.996 0.386 2.961) 4.230 11.332 ( -5.501 -3.507 -2.864) 7.124 11.428 ( 4.210 2.644 -1.477) 5.186 11.497 ( 0.375 -2.967 -0.335) 3.010 11.599 ( -0.647 -2.582 -1.127) 2.890 11.870 ( 2.854 -0.366 4.246) 5.129 11.877 ( 2.414 -3.075 -1.259) 4.107 11.953 ( 0.276 -2.203 0.679) 2.322 12.007 ( -3.375 0.041 -1.069) 3.540 12.198 ( 0.471 -2.710 -2.218) 3.534 12.243 ( -0.009 -1.022 1.277) 1.635 12.390 ( 1.084 6.510 -2.252) 6.973 12.482 ( -0.325 -2.156 -1.243) 2.510 12.500 ( -0.687 -2.885 3.713) 4.752 12.716 ( 2.737 7.269 0.726) 7.801 12.890 ( 3.251 -3.722 0.625) 4.981 12.919 ( 1.050 -6.858 -0.580) 6.962 12.992 ( 2.166 -2.258 -1.621) 3.524 13.051 ( 7.748 2.072 5.389) 9.663 13.230 ( -4.630 -4.359 -5.840) 8.634 13.330 ( 5.231 3.371 -0.082) 6.223 13.528 ( 7.279 -0.983 1.109) 7.428 13.722 ( 6.191 2.764 9.207) 11.434 13.797 ( 3.593 7.524 -1.418) 8.458 13.939 ( -7.155 5.254 -5.024) 10.200 13.979 ( 14.168 -4.299 3.132) 15.133 14.169 ( 4.519 -4.927 -0.031) 6.686 14.239 ( 1.711 2.735 -1.968) 3.779 14.427 ( -4.074 -3.085 0.143) 5.112 14.490 ( -7.115 3.768 -4.414) 9.182 14.576 ( 0.562 0.772 -5.983) 6.058 14.643 ( -6.153 -5.630 5.475) 9.977 14.952 ( 2.478 -4.308 2.640) 5.628 15.038 ( -0.432 -5.191 -4.599) 6.949 15.097 ( 3.988 4.217 4.349) 7.252 15.374 ( 0.639 3.699 -0.546) 3.794 15.399 ( -9.370 0.203 -3.778) 10.105 15.436 ( -3.128 3.973 -2.087) 5.470 15.845 ( -2.146 2.289 3.207) 4.487 16.256 ( -0.388 0.269 2.235) 2.284 16.286 ( -1.835 0.892 -1.073) 2.305 16.436 ( -2.998 -5.395 -0.237) 6.177 16.570 ( -3.230 -0.302 0.154) 3.248 16.656 ( -2.391 1.616 2.711) 3.960 16.711 ( -1.730 -2.548 -0.706) 3.159 16.939 ( -1.375 -3.763 -0.623) 4.054 20.938 ( 1.648 -1.084 0.880) 2.160 20.975 ( 2.109 -2.381 -1.438) 3.491 21.049 ( 1.364 -3.252 1.143) 3.707 21.144 ( 1.761 -7.839 -4.758) 9.338 21.762 ( 0.525 1.768 -1.026) 2.111 21.839 ( 0.319 0.410 0.214) 0.562 22.180 ( 4.828 8.357 3.583) 10.295 22.320 ( -5.969 6.712 -4.934) 10.248 22.515 ( 0.262 7.422 0.210) 7.429 22.706 ( 0.061 5.894 0.677) 5.933 22.745 ( -0.093 5.493 -0.334) 5.504 22.800 ( -1.300 6.008 -1.189) 6.261 23.351 ( 10.833 -5.890 0.084) 12.331 23.461 ( 7.617 -7.318 2.430) 10.839 23.609 ( -7.477 -12.925 6.921) 16.458 23.750 ( -10.516 -7.904 -6.696) 14.761 23.894 ( 0.239 0.973 1.742) 2.009 23.957 ( -0.721 -4.549 -0.953) 4.703 24.129 ( 0.436 7.652 3.461) 8.410 24.438 ( 1.690 11.032 -2.285) 11.392 24.502 ( -0.005 -4.750 0.267) 4.758 24.841 ( 2.347 -2.447 3.624) 4.963 25.085 ( -6.495 8.890 2.556) 11.303 25.411 ( -9.972 -1.524 -2.720) 10.448 26.869 ( 1.542 0.307 -0.033) 1.573 26.931 ( 2.105 -1.169 0.345) 2.432 26.964 ( 1.873 0.230 0.039) 1.887 27.095 ( 0.424 -3.042 -0.801) 3.174 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 33.338 0.000) 33.338 1.547 ( 0.000 37.792 0.000) 37.792 1.964 ( 0.000 -17.604 0.000) 17.604 2.222 ( 0.000 -30.486 0.000) 30.486 2.422 ( 0.000 12.335 0.000) 12.335 2.497 ( 0.000 -2.952 0.000) 2.952 2.777 ( 0.000 27.951 0.000) 27.951 3.006 ( 0.000 4.460 0.000) 4.460 3.083 ( 0.000 -0.364 0.000) 0.364 3.135 ( 0.000 -3.229 0.000) 3.229 3.175 ( 0.000 -1.711 0.000) 1.711 3.310 ( 0.000 11.523 0.000) 11.523 3.392 ( 0.000 -13.704 0.000) 13.704 3.441 ( 0.000 7.021 0.000) 7.021 3.484 ( 0.000 -10.545 0.000) 10.545 3.545 ( 0.000 5.112 0.000) 5.112 3.600 ( 0.000 -4.742 0.000) 4.742 3.656 ( 0.000 3.935 0.000) 3.935 3.695 ( 0.000 -6.573 0.000) 6.573 3.895 ( 0.000 -15.232 0.000) 15.232 4.074 ( 0.000 14.234 0.000) 14.234 4.188 ( 0.000 9.287 0.000) 9.287 4.239 ( 0.000 -1.766 0.000) 1.766 4.246 ( 0.000 5.920 0.000) 5.920 4.328 ( 0.000 -3.801 0.000) 3.801 4.394 ( 0.000 10.353 0.000) 10.353 4.433 ( 0.000 4.218 0.000) 4.218 4.441 ( 0.000 -23.659 0.000) 23.659 4.554 ( 0.000 -8.850 0.000) 8.850 4.674 ( 0.000 -13.276 0.000) 13.276 4.783 ( 0.000 -1.730 0.000) 1.730 4.820 ( 0.000 0.970 0.000) 0.970 4.836 ( 0.000 1.100 0.000) 1.100 4.896 ( 0.000 -3.119 0.000) 3.119 4.996 ( 0.000 1.311 0.000) 1.311 5.053 ( 0.000 -5.759 0.000) 5.759 5.147 ( 0.000 5.388 0.000) 5.388 5.179 ( 0.000 20.144 0.000) 20.144 5.239 ( 0.000 -2.935 0.000) 2.935 5.358 ( 0.000 -1.268 0.000) 1.268 5.434 ( 0.000 0.607 0.000) 0.607 5.525 ( 0.000 -1.566 0.000) 1.566 5.641 ( 0.000 13.985 0.000) 13.985 5.676 ( 0.000 5.319 0.000) 5.319 5.730 ( 0.000 1.845 0.000) 1.845 5.922 ( 0.000 6.957 0.000) 6.957 5.923 ( 0.000 -13.012 0.000) 13.012 6.017 ( 0.000 -1.867 0.000) 1.867 6.111 ( 0.000 -4.326 0.000) 4.326 6.146 ( 0.000 -9.090 0.000) 9.090 6.402 ( 0.000 4.557 0.000) 4.557 6.556 ( 0.000 -10.206 0.000) 10.206 6.687 ( 0.000 0.859 0.000) 0.859 6.688 ( 0.000 -0.119 0.000) 0.119 6.852 ( 0.000 3.626 0.000) 3.626 6.883 ( 0.000 2.300 0.000) 2.300 7.060 ( 0.000 0.357 0.000) 0.357 7.101 ( 0.000 0.724 0.000) 0.724 7.111 ( 0.000 -1.710 0.000) 1.710 7.148 ( 0.000 -5.746 0.000) 5.746 7.238 ( 0.000 -3.548 0.000) 3.548 7.239 ( 0.000 1.382 0.000) 1.382 7.390 ( 0.000 6.913 0.000) 6.913 7.509 ( 0.000 -2.073 0.000) 2.073 7.676 ( 0.000 3.478 0.000) 3.478 7.747 ( 0.000 -3.501 0.000) 3.501 7.807 ( 0.000 3.260 0.000) 3.260 7.891 ( 0.000 -4.801 0.000) 4.801 7.939 ( 0.000 0.639 0.000) 0.639 7.992 ( 0.000 -4.135 0.000) 4.135 8.092 ( 0.000 11.231 0.000) 11.231 8.208 ( 0.000 3.762 0.000) 3.762 8.232 ( 0.000 -0.851 0.000) 0.851 8.291 ( 0.000 1.613 0.000) 1.613 8.351 ( 0.000 -4.153 0.000) 4.153 8.352 ( 0.000 -12.383 0.000) 12.383 8.807 ( 0.000 0.942 0.000) 0.942 8.840 ( 0.000 2.020 0.000) 2.020 8.922 ( 0.000 -2.201 0.000) 2.201 8.956 ( 0.000 -2.052 0.000) 2.052 9.116 ( 0.000 1.698 0.000) 1.698 9.122 ( 0.000 -0.679 0.000) 0.679 9.319 ( 0.000 4.217 0.000) 4.217 9.374 ( 0.000 -1.108 0.000) 1.108 9.454 ( 0.000 5.201 0.000) 5.201 9.525 ( 0.000 -0.894 0.000) 0.894 9.528 ( 0.000 -0.307 0.000) 0.307 9.545 ( 0.000 -2.457 0.000) 2.457 9.828 ( 0.000 7.696 0.000) 7.696 9.914 ( 0.000 2.796 0.000) 2.796 9.979 ( 0.000 -7.368 0.000) 7.368 10.025 ( 0.000 -7.384 0.000) 7.384 10.241 ( 0.000 6.510 0.000) 6.510 10.280 ( 0.000 3.853 0.000) 3.853 10.332 ( 0.000 4.083 0.000) 4.083 10.428 ( 0.000 -3.813 0.000) 3.813 10.536 ( 0.000 3.522 0.000) 3.522 10.556 ( 0.000 2.288 0.000) 2.288 10.680 ( 0.000 -2.757 0.000) 2.757 10.691 ( 0.000 -5.215 0.000) 5.215 10.707 ( 0.000 1.040 0.000) 1.040 10.801 ( 0.000 -6.335 0.000) 6.335 10.930 ( 0.000 4.577 0.000) 4.577 10.948 ( 0.000 2.315 0.000) 2.315 11.006 ( 0.000 -2.294 0.000) 2.294 11.047 ( 0.000 -5.115 0.000) 5.115 11.214 ( 0.000 2.323 0.000) 2.323 11.260 ( 0.000 -0.822 0.000) 0.822 11.444 ( 0.000 9.216 0.000) 9.216 11.464 ( 0.000 4.586 0.000) 4.586 11.546 ( 0.000 -4.081 0.000) 4.081 11.632 ( 0.000 -9.205 0.000) 9.205 11.695 ( 0.000 5.397 0.000) 5.397 11.794 ( 0.000 -3.627 0.000) 3.627 11.852 ( 0.000 2.750 0.000) 2.750 11.934 ( 0.000 -4.457 0.000) 4.457 12.126 ( 0.000 5.932 0.000) 5.932 12.234 ( 0.000 -5.108 0.000) 5.108 12.286 ( 0.000 -0.270 0.000) 0.270 12.298 ( 0.000 -1.729 0.000) 1.729 12.488 ( 0.000 6.181 0.000) 6.181 12.577 ( 0.000 -2.485 0.000) 2.485 12.693 ( 0.000 9.981 0.000) 9.981 12.789 ( 0.000 3.158 0.000) 3.158 12.874 ( 0.000 -9.916 0.000) 9.916 12.932 ( 0.000 -9.249 0.000) 9.249 13.167 ( 0.000 1.105 0.000) 1.105 13.168 ( 0.000 0.869 0.000) 0.869 13.412 ( 0.000 1.295 0.000) 1.295 13.433 ( 0.000 -1.053 0.000) 1.053 13.760 ( 0.000 3.724 0.000) 3.724 13.801 ( 0.000 -1.713 0.000) 1.713 14.073 ( 0.000 -2.876 0.000) 2.876 14.131 ( 0.000 -8.402 0.000) 8.402 14.342 ( 0.000 4.800 0.000) 4.800 14.404 ( 0.000 -2.232 0.000) 2.232 14.617 ( 0.000 4.570 0.000) 4.570 14.669 ( 0.000 -0.735 0.000) 0.735 14.899 ( 0.000 -0.813 0.000) 0.813 14.906 ( 0.000 -1.828 0.000) 1.828 15.458 ( 0.000 3.497 0.000) 3.497 15.497 ( 0.000 -0.225 0.000) 0.225 15.752 ( 0.000 11.169 0.000) 11.169 15.800 ( 0.000 3.322 0.000) 3.322 15.849 ( 0.000 -0.211 0.000) 0.211 15.982 ( 0.000 -10.403 0.000) 10.403 16.480 ( 0.000 9.548 0.000) 9.548 16.667 ( 0.000 -8.831 0.000) 8.831 16.838 ( 0.000 2.449 0.000) 2.449 16.906 ( 0.000 -4.507 0.000) 4.507 17.067 ( 0.000 0.742 0.000) 0.742 17.076 ( 0.000 0.040 0.000) 0.040 20.726 ( 0.000 4.072 0.000) 4.072 20.814 ( 0.000 -4.906 0.000) 4.906 20.848 ( 0.000 3.420 0.000) 3.420 20.924 ( 0.000 -4.290 0.000) 4.290 21.761 ( 0.000 1.096 0.000) 1.096 21.780 ( 0.000 -0.837 0.000) 0.837 22.172 ( 0.000 8.833 0.000) 8.833 22.339 ( 0.000 -7.966 0.000) 7.966 22.633 ( 0.000 10.230 0.000) 10.230 22.823 ( 0.000 -8.937 0.000) 8.937 22.849 ( 0.000 5.641 0.000) 5.641 22.960 ( 0.000 -5.725 0.000) 5.725 22.977 ( 0.000 9.473 0.000) 9.473 23.156 ( 0.000 -8.141 0.000) 8.141 23.788 ( 0.000 3.123 0.000) 3.123 23.837 ( 0.000 -1.721 0.000) 1.721 23.995 ( 0.000 1.451 0.000) 1.451 24.075 ( 0.000 -7.033 0.000) 7.033 24.404 ( 0.000 2.658 0.000) 2.658 24.452 ( 0.000 -2.224 0.000) 2.224 24.707 ( 0.000 5.947 0.000) 5.947 24.831 ( 0.000 -6.837 0.000) 6.837 25.873 ( 0.000 17.335 0.000) 17.335 26.177 ( 0.000 -13.784 0.000) 13.784 26.713 ( 0.000 0.451 0.000) 0.451 26.723 ( 0.000 -0.506 0.000) 0.506 26.728 ( 0.000 0.771 0.000) 0.771 26.745 ( 0.000 -1.014 0.000) 1.014 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 15.030 28.587 -0.088) 32.298 1.719 ( 14.773 27.700 4.539) 31.719 2.138 ( 12.497 -21.392 0.821) 24.789 2.284 ( 5.774 -21.527 0.489) 22.293 2.551 ( 10.689 4.422 5.171) 12.671 2.631 ( 9.746 -7.589 2.638) 12.630 2.778 ( 3.702 26.802 4.600) 27.444 3.049 ( 0.557 -4.902 -3.919) 6.301 3.116 ( 3.255 6.750 2.764) 7.987 3.155 ( -0.140 2.376 3.661) 4.367 3.227 ( 5.970 1.740 -3.514) 7.143 3.310 ( -0.227 11.046 -0.227) 11.051 3.390 ( -1.177 -2.051 -2.092) 3.157 3.450 ( -2.130 -1.405 -0.703) 2.647 3.496 ( 2.513 -4.331 -0.557) 5.038 3.539 ( 2.706 -8.366 -0.892) 8.838 3.669 ( 5.333 1.336 5.464) 7.751 3.692 ( 3.231 0.484 -3.143) 4.533 3.782 ( 9.259 -4.691 3.325) 10.899 3.871 ( -0.219 -4.780 -4.617) 6.649 3.940 ( -10.619 11.063 -4.374) 15.947 4.139 ( -3.544 -4.561 5.502) 7.977 4.177 ( -4.045 -0.059 -7.726) 8.722 4.208 ( -5.939 -3.187 -5.301) 8.575 4.298 ( -1.882 6.336 0.226) 6.613 4.396 ( 1.556 6.627 8.205) 10.661 4.471 ( 1.741 3.168 4.953) 6.132 4.549 ( -4.871 -4.109 3.265) 7.160 4.574 ( 7.571 -17.056 -1.618) 18.731 4.614 ( 4.839 -3.814 1.598) 6.365 4.725 ( -1.522 4.970 -4.607) 6.946 4.779 ( -3.272 0.649 -0.037) 3.336 4.865 ( 0.720 -1.384 2.332) 2.806 4.941 ( 4.953 -9.245 -3.928) 11.199 5.088 ( 2.080 5.548 1.833) 6.202 5.119 ( 5.602 1.234 -0.689) 5.778 5.164 ( 3.813 4.039 1.493) 5.752 5.237 ( 3.733 0.777 1.597) 4.134 5.293 ( 5.111 0.251 -2.335) 5.624 5.432 ( 0.915 -0.761 -1.613) 2.004 5.507 ( 3.334 4.505 -2.820) 6.274 5.573 ( 7.160 -3.132 -3.077) 8.399 5.633 ( 2.641 8.402 -4.402) 9.846 5.720 ( 1.169 -0.617 -5.930) 6.076 5.772 ( 9.822 5.313 3.406) 11.675 5.912 ( 0.264 -5.086 7.535) 9.094 5.963 ( -5.500 -0.302 3.930) 6.766 6.045 ( -3.344 -7.739 4.219) 9.427 6.087 ( 5.635 3.523 -1.327) 6.777 6.177 ( 9.679 -2.747 -3.094) 10.526 6.266 ( -10.676 2.510 -2.806) 11.320 6.408 ( -9.909 -9.344 -6.766) 15.208 6.645 ( 0.897 4.526 -1.146) 4.755 6.731 ( 2.337 -3.588 0.752) 4.347 6.866 ( -1.413 1.683 -2.783) 3.546 6.877 ( -3.688 0.475 0.108) 3.720 6.994 ( -4.499 2.623 -0.976) 5.298 7.031 ( -4.918 -0.759 0.721) 5.028 7.058 ( -3.111 2.672 3.244) 5.229 7.152 ( 2.111 -7.500 -5.603) 9.597 7.171 ( -5.409 0.212 -0.350) 5.424 7.220 ( -6.060 -4.269 3.134) 8.048 7.319 ( -6.739 7.380 2.874) 10.399 7.486 ( -4.816 -6.994 0.349) 8.499 7.619 ( -4.925 4.867 3.552) 7.782 7.704 ( -4.457 -3.090 4.740) 7.202 7.826 ( 0.229 2.185 0.867) 2.362 7.880 ( -2.248 -2.201 -1.759) 3.604 7.999 ( 0.797 3.756 -3.332) 5.084 8.007 ( -1.438 3.255 -1.054) 3.712 8.067 ( -4.399 2.237 1.217) 5.083 8.122 ( 5.132 -3.560 -2.406) 6.693 8.287 ( -1.114 2.626 2.318) 3.675 8.337 ( 0.107 -0.220 3.476) 3.485 8.357 ( 5.692 1.481 -0.091) 5.882 8.450 ( 2.319 -7.005 2.836) 7.905 8.606 ( -9.279 2.578 -3.510) 10.250 8.700 ( -7.900 -7.354 -5.664) 12.189 8.970 ( 2.998 3.140 -5.561) 7.055 8.987 ( 0.582 3.217 -1.630) 3.653 9.070 ( -6.690 2.262 0.937) 7.124 9.129 ( -4.922 0.219 0.769) 4.986 9.245 ( -5.282 1.510 4.065) 6.834 9.297 ( -6.868 1.572 0.468) 7.061 9.398 ( -1.698 -2.821 2.183) 3.951 9.419 ( 1.312 -2.991 0.566) 3.315 9.622 ( 1.967 6.027 9.589) 11.495 9.688 ( 1.536 -0.758 6.675) 6.891 9.826 ( 0.557 4.370 0.938) 4.504 9.854 ( 1.060 3.328 -6.253) 7.162 9.976 ( 2.090 -0.933 -6.707) 7.087 10.025 ( 3.070 -5.284 -0.178) 6.113 10.213 ( -0.864 3.087 -2.450) 4.035 10.267 ( -2.643 0.587 2.718) 3.836 10.343 ( 2.069 -0.971 -0.668) 2.381 10.378 ( -5.817 -5.376 0.838) 7.965 10.495 ( -2.259 4.256 -6.922) 8.434 10.540 ( -1.835 0.470 -4.467) 4.852 10.583 ( -0.444 4.551 1.472) 4.804 10.681 ( -2.248 -4.750 2.467) 5.805 10.750 ( 1.537 0.918 -4.041) 4.420 10.824 ( -4.438 -2.636 -3.178) 6.061 10.905 ( -3.728 4.876 2.479) 6.620 10.968 ( 1.328 -0.630 2.134) 2.591 10.982 ( 2.789 -0.694 -1.235) 3.128 11.055 ( 0.563 -3.112 -0.594) 3.218 11.239 ( 1.221 -0.741 -2.435) 2.823 11.306 ( -1.644 -4.361 0.369) 4.675 11.344 ( 3.988 3.713 -2.926) 6.185 11.408 ( 1.748 0.084 -2.400) 2.970 11.548 ( 0.884 3.907 0.221) 4.012 11.647 ( 1.066 -2.946 5.265) 6.127 11.838 ( 0.283 1.314 -4.844) 5.027 11.888 ( 3.957 -0.620 -1.597) 4.312 11.937 ( 6.896 0.893 -2.023) 7.241 12.062 ( 10.269 -7.728 -2.592) 13.110 12.259 ( 5.905 -0.383 6.605) 8.868 12.275 ( 7.681 -1.982 8.881) 11.908 12.388 ( 6.349 3.223 3.216) 7.813 12.438 ( 7.180 -0.730 -2.581) 7.665 12.517 ( 4.603 5.079 1.932) 7.122 12.622 ( 4.660 -1.810 4.535) 6.750 12.699 ( -1.371 6.297 -3.691) 7.426 12.783 ( 4.451 -1.776 1.381) 4.987 12.874 ( 3.833 -4.633 -3.512) 6.964 12.941 ( 4.065 -8.423 -3.609) 10.025 13.082 ( -1.053 2.747 -5.204) 5.978 13.156 ( 0.710 -3.641 -4.386) 5.744 13.535 ( 5.366 3.924 6.454) 9.265 13.590 ( 7.388 -1.618 9.847) 12.417 13.717 ( 1.375 4.440 -5.164) 6.947 13.874 ( 5.017 -8.128 0.114) 9.553 14.049 ( 0.481 4.850 1.526) 5.107 14.224 ( 2.686 -10.547 4.065) 11.618 14.345 ( 1.166 4.069 0.654) 4.283 14.386 ( 0.525 -0.247 -1.412) 1.526 14.628 ( 1.633 6.165 -0.736) 6.420 14.729 ( 4.408 -4.123 -2.560) 6.556 14.928 ( 3.332 1.142 0.651) 3.582 14.991 ( 6.265 -5.283 2.266) 8.503 15.323 ( -8.889 2.868 -8.465) 12.605 15.373 ( -8.743 -2.506 -6.343) 11.089 15.714 ( -1.906 7.850 -5.428) 9.733 15.770 ( -3.576 1.435 -1.560) 4.157 15.896 ( 0.870 5.557 10.477) 11.891 16.067 ( 2.283 -9.645 11.723) 15.351 16.445 ( -3.535 7.477 0.721) 8.302 16.595 ( -6.767 -7.366 -0.338) 10.008 16.785 ( -4.918 3.215 0.450) 5.893 16.867 ( -3.944 -4.610 -0.309) 6.075 16.983 ( -7.410 1.483 -0.518) 7.575 17.009 ( -5.898 -1.117 -0.375) 6.014 20.773 ( 4.193 2.049 -0.403) 4.684 20.833 ( 1.534 -2.858 1.392) 3.530 20.884 ( 3.859 1.531 -1.954) 4.588 20.951 ( 3.457 -4.503 -2.948) 6.396 21.770 ( 1.275 1.277 -1.152) 2.141 21.791 ( 1.186 -0.844 -0.345) 1.496 22.190 ( 1.465 8.854 1.177) 9.051 22.353 ( 1.149 -7.515 0.581) 7.625 22.669 ( 2.342 10.660 3.536) 11.473 22.843 ( 1.449 1.932 -3.308) 4.095 22.872 ( 1.498 -4.029 4.673) 6.349 22.935 ( -1.676 3.954 0.996) 4.409 23.002 ( 2.372 -1.975 -1.399) 3.389 23.126 ( -1.989 -6.575 -2.073) 7.175 23.779 ( -1.085 3.505 -1.405) 3.929 23.847 ( 0.444 -3.015 -0.385) 3.072 23.994 ( -0.438 1.288 0.155) 1.370 24.048 ( -2.644 -3.991 -2.923) 5.609 24.269 ( -7.351 8.395 -7.380) 13.378 24.410 ( -2.393 -6.222 -7.795) 10.257 24.637 ( -7.436 5.476 11.302) 14.595 24.749 ( -7.870 -6.239 6.848) 12.155 25.770 ( -10.744 14.546 2.125) 18.208 25.990 ( -15.053 -7.303 0.210) 16.733 26.753 ( 3.067 0.495 0.080) 3.108 26.763 ( 3.389 -0.451 0.244) 3.428 26.800 ( 5.701 0.798 -0.231) 5.761 26.849 ( 8.340 -4.783 -0.800) 9.648 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 22.919 18.854 1.800) 29.732 2.126 ( 20.772 15.908 9.018) 27.674 2.345 ( 11.613 -11.157 -3.819) 16.551 2.506 ( 12.477 -15.352 7.806) 21.268 2.701 ( 4.412 0.673 1.488) 4.704 2.796 ( 4.010 -10.109 0.787) 10.904 2.932 ( 2.186 5.772 -0.119) 6.173 3.037 ( -2.426 -4.056 -5.142) 6.984 3.113 ( 0.758 0.619 1.586) 1.864 3.164 ( -2.369 -3.838 0.276) 4.519 3.268 ( -3.117 3.536 -2.505) 5.338 3.310 ( -5.965 2.200 -3.602) 7.307 3.340 ( 4.099 5.896 -2.538) 7.616 3.445 ( 4.062 7.176 -5.444) 9.881 3.470 ( -1.875 -5.785 -2.806) 6.698 3.603 ( -3.210 -2.379 -0.088) 3.996 3.629 ( -7.137 3.427 -7.274) 10.752 3.738 ( -0.868 -4.073 -2.357) 4.785 3.848 ( 2.077 2.141 1.917) 3.545 3.891 ( 5.692 0.500 4.881) 7.515 3.973 ( -5.918 -0.816 -1.924) 6.276 4.021 ( 3.598 -4.540 0.447) 5.810 4.171 ( 11.248 3.331 11.434) 16.381 4.205 ( 0.627 0.203 1.789) 1.906 4.271 ( 2.977 7.895 -1.766) 8.620 4.421 ( 1.216 0.232 8.540) 8.630 4.536 ( 3.796 -1.834 4.491) 6.160 4.582 ( -2.903 -2.492 -1.491) 4.106 4.644 ( 4.417 9.564 -2.710) 10.878 4.700 ( -0.435 5.996 0.188) 6.014 4.745 ( 4.147 -0.722 -2.937) 5.133 4.815 ( 7.322 1.976 3.047) 8.173 4.893 ( 4.430 3.191 -1.000) 5.550 4.998 ( 2.139 -7.930 -0.834) 8.255 5.154 ( 3.588 2.289 1.118) 4.401 5.190 ( 3.084 1.290 -5.364) 6.321 5.260 ( 3.470 1.241 0.777) 3.766 5.320 ( 1.833 -2.319 0.698) 3.037 5.357 ( 3.326 -5.650 -1.248) 6.674 5.395 ( 4.657 -2.178 -2.136) 5.568 5.570 ( 4.154 -4.637 -4.718) 7.811 5.597 ( 2.229 2.626 -1.396) 3.717 5.652 ( -1.108 2.729 -4.885) 5.705 5.767 ( 3.411 0.073 -1.178) 3.610 5.880 ( -8.393 1.835 3.305) 9.205 5.888 ( -2.323 -0.991 3.905) 4.650 5.925 ( -2.655 2.759 2.341) 4.488 6.041 ( 1.454 -6.836 -2.623) 7.465 6.113 ( 5.574 5.518 -2.778) 8.321 6.226 ( 0.036 -4.534 0.778) 4.601 6.322 ( 10.106 5.575 3.010) 11.928 6.431 ( 11.696 -5.635 -0.166) 12.984 6.672 ( 0.584 5.476 -1.721) 5.770 6.719 ( -7.365 0.292 -3.131) 8.008 6.756 ( -3.182 -3.621 -0.246) 4.827 6.778 ( -3.391 -3.836 -5.113) 7.236 6.912 ( -3.028 4.753 1.286) 5.781 6.926 ( -6.629 6.723 0.511) 9.455 7.017 ( -3.684 2.935 1.433) 4.923 7.070 ( -8.129 -5.398 2.967) 10.199 7.106 ( -0.361 1.454 2.584) 2.987 7.168 ( 1.380 -7.674 -0.296) 7.803 7.219 ( -3.410 3.794 -2.493) 5.678 7.346 ( -7.906 -6.362 1.585) 10.271 7.522 ( -7.184 6.041 1.465) 9.500 7.620 ( -7.737 -3.389 3.332) 9.080 7.750 ( -11.239 1.272 -3.605) 11.871 7.777 ( -4.671 -0.674 -2.222) 5.216 7.851 ( -6.522 1.521 1.885) 6.957 7.933 ( -3.527 -5.088 0.085) 6.192 8.079 ( -5.058 5.511 2.916) 8.028 8.125 ( -4.445 0.530 3.084) 5.436 8.290 ( 4.554 5.325 -8.741) 11.203 8.352 ( -5.147 -0.208 1.948) 5.507 8.379 ( 4.907 -1.554 -1.791) 5.450 8.432 ( -4.272 -8.929 -0.439) 9.908 8.552 ( 5.486 5.806 2.049) 8.246 8.642 ( 1.667 -2.974 -1.234) 3.626 8.937 ( -4.600 3.945 2.166) 6.436 8.985 ( 0.826 -0.411 -3.517) 3.636 9.008 ( 1.714 -0.106 -3.941) 4.299 9.034 ( -0.836 -1.454 -1.875) 2.516 9.129 ( -5.882 2.740 -1.335) 6.625 9.220 ( -6.556 -5.690 5.875) 10.482 9.391 ( 1.271 2.218 -1.995) 3.243 9.464 ( 1.237 -3.966 0.665) 4.207 9.645 ( -5.018 3.654 4.862) 7.885 9.687 ( -4.482 0.548 5.126) 6.832 9.846 ( -0.160 3.270 -1.723) 3.699 9.888 ( 3.198 1.028 -0.337) 3.376 10.016 ( 3.496 5.857 3.484) 7.659 10.102 ( 1.806 -3.349 4.892) 6.197 10.212 ( -0.652 0.324 0.175) 0.749 10.271 ( 0.810 -3.150 -2.240) 3.949 10.296 ( 3.522 3.114 -2.447) 5.300 10.385 ( 1.714 -3.824 -2.975) 5.139 10.433 ( -1.232 1.195 -0.814) 1.900 10.492 ( 1.478 -1.679 0.108) 2.240 10.584 ( -1.511 1.637 1.503) 2.687 10.597 ( -5.983 -1.347 0.966) 6.209 10.691 ( -3.122 -0.219 -4.997) 5.896 10.711 ( -3.170 -1.707 -2.246) 4.244 10.888 ( -0.617 4.095 -0.534) 4.175 10.988 ( -2.937 0.553 -5.004) 5.829 11.032 ( 3.299 -6.535 0.339) 7.329 11.041 ( 3.522 0.300 -0.800) 3.624 11.241 ( 2.120 2.176 -1.154) 3.250 11.341 ( 3.006 -4.491 -1.346) 5.569 11.417 ( -0.464 4.449 -1.056) 4.596 11.468 ( 6.191 -0.878 0.064) 6.254 11.585 ( 0.588 5.156 -3.570) 6.299 11.686 ( 2.715 -4.726 3.521) 6.488 11.802 ( -0.235 2.290 5.381) 5.853 11.899 ( -1.112 -7.346 -2.381) 7.802 12.065 ( 3.809 2.882 -0.026) 4.777 12.148 ( 2.341 -4.574 -3.275) 6.093 12.299 ( -3.692 3.858 0.789) 5.398 12.370 ( 0.721 -1.912 3.100) 3.713 12.504 ( 0.971 4.560 1.480) 4.891 12.582 ( -3.428 3.608 3.101) 5.864 12.676 ( 14.832 1.996 1.811) 15.075 12.682 ( 2.652 -3.161 0.737) 4.191 12.764 ( 12.259 -3.308 0.961) 12.734 12.787 ( -0.445 -5.975 -2.036) 6.328 13.045 ( 1.503 5.230 -4.765) 7.233 13.138 ( 9.116 -2.365 0.738) 9.447 13.174 ( 11.174 -1.856 -2.429) 11.584 13.212 ( 17.762 -4.356 0.183) 18.289 13.618 ( 3.064 3.572 1.666) 4.993 13.692 ( 4.635 -3.884 -1.650) 6.268 13.845 ( 7.789 7.583 2.581) 11.173 14.002 ( 6.607 -7.280 -1.718) 9.980 14.092 ( -0.394 4.616 7.932) 9.186 14.203 ( -2.000 -3.991 -2.232) 4.991 14.428 ( 3.751 1.057 1.421) 4.148 14.468 ( 6.257 -1.696 4.926) 8.142 14.629 ( -1.609 6.861 -3.742) 7.979 14.753 ( -1.968 -5.668 -4.285) 7.373 14.991 ( 0.482 1.508 -7.442) 7.609 15.027 ( -3.688 -2.179 -10.721) 11.545 15.109 ( -5.573 3.435 4.553) 7.974 15.228 ( -0.138 -9.265 5.418) 10.733 15.613 ( -4.941 5.190 -4.043) 8.228 15.654 ( -7.075 0.485 -2.233) 7.435 15.959 ( -0.528 9.462 6.574) 11.534 16.157 ( -0.075 -8.524 7.852) 11.590 16.376 ( -3.859 2.186 2.331) 5.010 16.436 ( -8.154 -4.481 0.661) 9.327 16.681 ( -5.400 3.475 0.232) 6.426 16.746 ( -7.515 -1.877 0.364) 7.754 16.825 ( -6.801 2.339 -1.449) 7.337 16.896 ( -4.173 -4.786 -0.839) 6.405 20.857 ( 4.259 0.317 -0.318) 4.283 20.887 ( 2.924 -1.863 0.745) 3.546 20.951 ( 3.612 0.143 -1.543) 3.931 21.001 ( 3.400 -4.591 -3.883) 6.908 21.789 ( 1.434 1.696 -1.676) 2.782 21.815 ( 1.410 -0.916 -0.577) 1.778 22.243 ( 2.599 8.281 2.557) 9.048 22.381 ( 0.747 -5.538 1.147) 5.704 22.745 ( 1.776 12.413 3.100) 12.917 22.822 ( -1.123 6.291 -2.151) 6.743 22.889 ( -0.088 4.585 -0.077) 4.587 22.953 ( -0.348 -3.655 -3.348) 4.969 23.054 ( 3.928 -4.397 5.504) 8.065 23.118 ( 4.472 -7.432 -1.152) 8.750 23.664 ( -9.306 3.731 -4.380) 10.942 23.797 ( -5.403 -7.523 -6.278) 11.189 23.949 ( -3.526 0.957 -0.452) 3.681 23.954 ( -3.065 0.259 0.792) 3.176 24.204 ( 0.957 5.416 2.939) 6.236 24.330 ( 0.771 -7.504 -3.002) 8.119 24.607 ( -1.514 5.736 6.380) 8.712 24.702 ( -0.730 -4.438 5.877) 7.401 25.513 ( -15.533 10.747 1.613) 18.957 25.666 ( -17.074 -4.739 -1.047) 17.751 26.825 ( 3.676 0.708 0.100) 3.745 26.842 ( 3.990 -0.963 0.347) 4.119 26.911 ( 5.092 1.762 -0.271) 5.395 26.974 ( 4.790 -4.741 -0.918) 6.802 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 20.209 10.218 3.976) 22.991 2.576 ( 12.054 0.414 2.883) 12.401 2.590 ( 17.680 3.490 7.764) 19.622 2.761 ( 2.326 -7.814 6.689) 10.546 2.794 ( 3.489 -0.503 -2.196) 4.153 2.808 ( -2.282 0.201 -2.505) 3.394 2.846 ( -4.957 -1.364 -4.808) 7.039 2.917 ( -0.262 -7.839 -3.516) 8.595 3.052 ( -11.428 3.074 -4.853) 12.791 3.110 ( -4.867 -2.172 -0.958) 5.415 3.142 ( -2.070 -3.016 1.994) 4.166 3.198 ( -7.165 -5.535 -3.473) 9.697 3.300 ( 0.461 2.567 -3.683) 4.513 3.342 ( -5.378 -1.761 0.378) 5.672 3.451 ( 1.339 2.595 -3.558) 4.603 3.490 ( -1.030 -2.143 -7.367) 7.741 3.566 ( -1.989 5.964 1.985) 6.593 3.723 ( -0.308 -9.097 -1.664) 9.253 3.779 ( -3.155 4.606 -1.186) 5.708 3.886 ( 1.106 -4.864 2.312) 5.498 4.040 ( -5.070 2.424 -0.382) 5.633 4.087 ( 1.184 -2.534 2.905) 4.033 4.280 ( 4.645 1.167 4.151) 6.337 4.321 ( 10.556 -3.461 5.506) 12.398 4.484 ( -0.112 6.417 1.007) 6.496 4.524 ( 3.068 6.451 2.329) 7.513 4.558 ( 1.848 1.658 -0.712) 2.583 4.614 ( -0.096 4.701 -0.938) 4.795 4.655 ( 1.683 -3.788 1.597) 4.442 4.712 ( -1.220 -1.037 -4.416) 4.697 4.816 ( 5.893 7.925 2.987) 10.318 4.887 ( -0.923 6.075 -2.137) 6.505 5.042 ( 4.105 0.325 1.800) 4.494 5.080 ( 9.598 1.028 1.378) 9.751 5.149 ( 2.173 5.940 1.571) 6.518 5.195 ( -1.621 1.950 -2.064) 3.270 5.337 ( 2.459 1.077 -0.263) 2.698 5.374 ( 0.362 7.494 0.810) 7.546 5.416 ( 3.088 -6.563 -3.762) 8.171 5.529 ( -6.357 7.937 -1.050) 10.223 5.544 ( 8.367 -3.400 2.591) 9.396 5.618 ( 3.181 1.330 -0.620) 3.503 5.675 ( 0.105 -9.053 0.657) 9.077 5.729 ( -3.309 -2.738 0.403) 4.314 5.799 ( 1.985 -3.310 -0.921) 3.968 5.885 ( -3.441 -6.351 2.651) 7.694 5.944 ( 4.593 1.631 -2.356) 5.414 6.054 ( 1.212 -4.667 -1.821) 5.154 6.205 ( 4.366 6.772 0.715) 8.090 6.262 ( 1.399 3.077 1.024) 3.532 6.425 ( -5.041 5.011 -9.354) 11.748 6.501 ( -2.384 -3.358 -6.891) 8.028 6.589 ( -2.726 1.960 9.911) 10.464 6.625 ( -5.156 2.367 1.532) 5.876 6.649 ( 0.154 1.301 0.992) 1.643 6.720 ( -0.557 -1.144 -1.376) 1.874 6.846 ( -1.516 6.151 1.726) 6.566 6.945 ( -1.737 -1.883 -2.593) 3.645 6.981 ( 5.383 4.264 2.602) 7.344 7.042 ( -0.412 0.964 4.865) 4.977 7.105 ( -0.624 0.796 2.360) 2.568 7.133 ( -1.756 -1.447 -8.494) 8.793 7.192 ( 0.835 -3.914 -1.935) 4.445 7.249 ( -3.669 -6.952 2.835) 8.356 7.419 ( -3.231 2.509 0.135) 4.093 7.492 ( -3.585 -4.579 -0.073) 5.816 7.526 ( -4.805 3.396 0.879) 5.949 7.615 ( -10.747 -4.654 -0.782) 11.737 7.759 ( -2.069 7.918 0.756) 8.218 7.944 ( 2.977 -8.753 -0.780) 9.279 7.995 ( -2.298 3.026 2.025) 4.306 8.045 ( -5.066 -2.204 0.909) 5.599 8.237 ( -1.727 -0.074 -2.086) 2.709 8.328 ( -2.043 -8.616 -1.035) 8.915 8.437 ( 4.150 2.599 0.087) 4.898 8.466 ( 3.849 0.023 -2.110) 4.389 8.638 ( -0.594 3.682 -0.689) 3.793 8.677 ( 3.241 0.220 1.876) 3.751 8.886 ( -1.423 3.697 2.855) 4.883 8.944 ( -2.661 0.337 -2.235) 3.491 9.014 ( -1.118 2.380 1.461) 3.008 9.024 ( 2.060 -1.545 -3.425) 4.285 9.077 ( 0.864 -3.953 -4.661) 6.172 9.126 ( -5.316 -6.873 5.966) 10.540 9.424 ( 4.577 3.826 -4.499) 7.472 9.478 ( -0.594 -0.735 0.947) 1.338 9.556 ( -3.827 2.092 0.721) 4.420 9.592 ( -6.107 1.046 2.936) 6.857 9.831 ( -0.264 2.365 -0.356) 2.406 9.916 ( 0.212 -4.214 -0.596) 4.261 10.107 ( 1.490 5.117 2.554) 5.910 10.149 ( 1.761 3.719 3.731) 5.554 10.203 ( -0.293 2.382 -2.011) 3.131 10.241 ( -1.348 7.029 -0.276) 7.162 10.378 ( 1.497 -0.863 -0.443) 1.784 10.395 ( 3.098 -3.427 -1.057) 4.739 10.441 ( -3.627 -5.538 1.419) 6.771 10.485 ( 1.047 -6.120 -0.751) 6.255 10.571 ( 1.025 2.426 2.285) 3.486 10.612 ( 2.604 -2.052 1.625) 3.692 10.655 ( -0.653 -0.681 0.039) 0.944 10.658 ( 1.565 -0.309 -0.939) 1.851 10.812 ( -4.441 2.698 -4.158) 6.655 10.882 ( -3.553 -4.124 -2.992) 6.212 11.120 ( 3.873 -0.690 0.670) 3.991 11.140 ( 5.824 -1.448 -0.483) 6.021 11.281 ( 0.444 3.874 0.068) 3.900 11.309 ( -4.150 2.759 -0.645) 5.025 11.418 ( 1.542 -0.865 -0.566) 1.857 11.484 ( -1.877 -4.443 -1.236) 4.979 11.610 ( 2.385 7.498 -1.197) 7.959 11.771 ( 2.763 -7.355 -2.706) 8.309 11.863 ( 1.546 -0.689 4.515) 4.822 11.879 ( 0.186 -3.124 4.380) 5.383 12.060 ( -2.225 4.278 -1.467) 5.040 12.142 ( -0.634 -3.734 -1.343) 4.019 12.257 ( -0.690 3.297 -0.835) 3.470 12.365 ( -1.258 -7.161 0.204) 7.274 12.514 ( 0.948 5.113 0.206) 5.204 12.537 ( -1.910 5.086 1.345) 5.597 12.729 ( 0.665 -6.288 1.657) 6.537 12.742 ( -0.008 -7.110 -2.006) 7.388 12.924 ( 6.057 5.736 2.346) 8.666 12.988 ( 3.295 -0.533 -0.550) 3.382 13.080 ( 4.491 2.130 2.661) 5.638 13.152 ( 0.816 -4.075 -3.738) 5.589 13.408 ( 6.015 4.392 -2.024) 7.718 13.486 ( 7.362 -3.318 -0.910) 8.126 13.787 ( 10.220 4.188 6.374) 12.752 13.881 ( 11.009 -5.101 4.880) 13.078 13.953 ( 4.633 6.954 -5.761) 10.149 14.036 ( -2.235 0.973 0.092) 2.439 14.096 ( 0.154 1.842 1.878) 2.636 14.231 ( 3.112 -6.928 0.038) 7.595 14.414 ( -6.916 3.997 -3.688) 8.798 14.495 ( -13.340 -3.582 -4.115) 14.413 14.549 ( -0.520 2.437 -1.133) 2.738 14.617 ( 1.656 -3.125 3.494) 4.971 14.899 ( -0.958 0.988 -2.384) 2.753 14.955 ( 0.309 -3.762 -4.220) 5.661 15.191 ( 5.814 4.769 4.967) 9.012 15.291 ( 1.164 -5.650 3.250) 6.621 15.478 ( -7.084 2.210 -3.228) 8.093 15.488 ( -5.080 1.063 -2.538) 5.777 15.970 ( -0.617 10.266 1.971) 10.472 16.179 ( -0.430 -9.351 2.343) 9.649 16.311 ( -3.004 1.716 0.616) 3.514 16.347 ( -1.784 -2.446 1.233) 3.269 16.592 ( -2.939 2.350 -0.101) 3.764 16.643 ( -2.983 -2.629 1.572) 4.276 16.728 ( -2.008 4.425 -1.442) 5.069 16.838 ( -1.364 -6.198 -0.563) 6.371 20.923 ( 1.949 -0.059 0.540) 2.023 20.939 ( 1.841 -1.382 -0.454) 2.347 20.994 ( 1.268 -1.261 -0.117) 1.792 21.023 ( 0.874 -4.113 -2.183) 4.738 21.801 ( 0.558 2.057 -0.800) 2.277 21.833 ( 0.612 -1.064 -0.336) 1.272 22.316 ( 2.675 5.519 2.602) 6.662 22.382 ( -1.092 -0.841 -0.275) 1.405 22.723 ( -1.674 12.253 -1.558) 12.465 22.842 ( 1.273 5.862 1.578) 6.203 22.887 ( -0.097 6.461 -0.684) 6.498 22.894 ( -1.547 1.375 -1.747) 2.709 23.221 ( 9.377 -5.364 1.317) 10.883 23.276 ( 9.562 -10.605 5.722) 15.383 23.434 ( -10.929 -1.095 -1.559) 11.094 23.554 ( -11.852 -10.443 -8.502) 17.939 23.917 ( -0.668 0.790 1.072) 1.490 23.925 ( -0.811 -0.319 0.359) 0.943 24.258 ( 1.382 5.909 2.263) 6.477 24.369 ( 1.684 -5.930 0.605) 6.194 24.657 ( 3.080 8.657 1.351) 9.287 24.780 ( 4.431 -4.363 2.361) 6.652 25.247 ( -9.902 7.333 0.558) 12.334 25.358 ( -10.925 -4.180 -1.604) 11.807 26.880 ( 1.608 0.928 0.045) 1.857 26.904 ( 1.787 -1.437 0.175) 2.300 26.980 ( 1.873 1.591 -0.102) 2.459 27.029 ( 1.401 -3.339 -0.390) 3.642 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.355 0.000 36.758) 36.759 0.730 ( 1.675 0.000 37.861) 37.899 1.169 ( 5.828 0.000 55.989) 56.292 2.420 ( 11.255 0.000 -19.562) 22.569 2.536 ( -0.909 0.000 -9.724) 9.767 2.611 ( -10.647 0.000 -10.144) 14.706 2.815 ( 0.247 0.000 7.485) 7.489 3.040 ( -5.085 0.000 3.840) 6.372 3.057 ( 0.948 0.000 -4.278) 4.382 3.192 ( 1.981 0.000 6.738) 7.023 3.258 ( 0.998 0.000 2.092) 2.318 3.368 ( 0.913 0.000 0.456) 1.021 3.395 ( -0.848 0.000 1.482) 1.708 3.425 ( -2.265 0.000 -0.763) 2.390 3.444 ( -2.147 0.000 -2.241) 3.103 3.547 ( 2.092 0.000 -5.558) 5.939 3.719 ( -2.681 0.000 -1.482) 3.063 3.753 ( -3.730 0.000 -0.742) 3.803 3.786 ( 3.750 0.000 -3.357) 5.033 3.889 ( 2.526 0.000 -0.928) 2.691 3.985 ( -0.882 0.000 -0.501) 1.014 4.030 ( 5.303 0.000 7.317) 9.037 4.125 ( 5.553 0.000 4.778) 7.326 4.158 ( -1.226 0.000 -0.429) 1.299 4.163 ( 5.098 0.000 2.805) 5.818 4.267 ( -4.968 0.000 -3.897) 6.314 4.390 ( -1.645 0.000 -0.317) 1.676 4.564 ( -4.758 0.000 1.385) 4.955 4.652 ( 0.912 0.000 -5.613) 5.687 4.769 ( 7.453 0.000 -3.205) 8.113 4.792 ( 0.373 0.000 3.055) 3.077 4.807 ( 0.915 0.000 -9.753) 9.796 4.878 ( -5.065 0.000 2.765) 5.771 4.924 ( -14.409 0.000 -4.535) 15.106 5.019 ( -6.581 0.000 -5.959) 8.878 5.072 ( 10.564 0.000 -4.400) 11.443 5.163 ( 2.364 0.000 1.558) 2.831 5.205 ( -13.960 0.000 4.828) 14.772 5.332 ( -3.175 0.000 -2.126) 3.821 5.359 ( -6.072 0.000 2.967) 6.758 5.458 ( 20.810 0.000 0.784) 20.824 5.487 ( -0.913 0.000 -4.359) 4.454 5.521 ( -0.991 0.000 4.724) 4.827 5.596 ( 1.109 0.000 -5.387) 5.500 5.766 ( 6.053 0.000 -2.268) 6.464 5.909 ( 1.818 0.000 -4.088) 4.474 5.928 ( 4.068 0.000 2.300) 4.673 5.953 ( 1.106 0.000 -4.737) 4.864 6.252 ( 1.240 0.000 -0.187) 1.254 6.295 ( -0.263 0.000 -2.608) 2.622 6.581 ( 3.162 0.000 -3.561) 4.762 6.609 ( 5.266 0.000 2.360) 5.770 6.680 ( -5.493 0.000 -6.605) 8.591 6.791 ( -4.658 0.000 5.454) 7.172 6.806 ( 0.242 0.000 8.433) 8.437 6.907 ( -2.767 0.000 2.699) 3.865 6.921 ( -2.937 0.000 -4.998) 5.798 7.019 ( -0.274 0.000 3.104) 3.116 7.083 ( 6.703 0.000 4.349) 7.990 7.188 ( -1.678 0.000 4.438) 4.744 7.296 ( -8.471 0.000 -2.578) 8.855 7.322 ( -2.970 0.000 16.445) 16.711 7.433 ( 2.057 0.000 4.991) 5.399 7.582 ( -5.104 0.000 -7.399) 8.989 7.695 ( 9.100 0.000 -4.027) 9.951 7.755 ( 1.332 0.000 4.263) 4.466 7.764 ( -2.878 0.000 1.271) 3.146 7.822 ( 2.032 0.000 -8.392) 8.635 7.939 ( 2.260 0.000 -13.580) 13.767 8.106 ( -0.086 0.000 -0.642) 0.648 8.112 ( -5.985 0.000 7.823) 9.849 8.161 ( -0.207 0.000 5.290) 5.294 8.223 ( -6.115 0.000 4.114) 7.370 8.287 ( -5.059 0.000 3.170) 5.970 8.449 ( 7.794 0.000 2.380) 8.149 8.586 ( -4.442 0.000 0.005) 4.442 8.655 ( -8.776 0.000 6.597) 10.979 8.679 ( 6.553 0.000 -8.060) 10.388 8.813 ( -5.656 0.000 -2.640) 6.241 8.927 ( -1.301 0.000 -4.451) 4.637 8.991 ( 1.479 0.000 -7.075) 7.228 9.071 ( 6.532 0.000 1.339) 6.668 9.223 ( 5.169 0.000 1.610) 5.414 9.456 ( -5.090 0.000 -2.896) 5.856 9.494 ( 3.341 0.000 4.365) 5.497 9.517 ( 5.814 0.000 4.186) 7.165 9.593 ( 0.661 0.000 3.958) 4.012 9.667 ( 5.775 0.000 4.632) 7.403 9.797 ( 16.634 0.000 -3.673) 17.035 9.872 ( 4.540 0.000 2.597) 5.230 9.972 ( -3.770 0.000 -2.626) 4.595 10.033 ( -23.599 0.000 -6.805) 24.560 10.136 ( -3.829 0.000 1.604) 4.151 10.147 ( -12.339 0.000 -3.006) 12.700 10.282 ( 5.392 0.000 6.928) 8.778 10.417 ( -0.363 0.000 6.188) 6.199 10.419 ( -11.337 0.000 7.825) 13.776 10.521 ( -1.720 0.000 -1.396) 2.216 10.644 ( -2.540 0.000 -0.206) 2.548 10.698 ( 5.617 0.000 -4.181) 7.002 10.766 ( -1.942 0.000 -5.626) 5.952 10.776 ( -7.234 0.000 -3.827) 8.184 10.811 ( -5.895 0.000 -1.574) 6.102 10.998 ( -5.215 0.000 4.534) 6.911 11.061 ( 3.179 0.000 -6.685) 7.403 11.145 ( -2.571 0.000 -0.162) 2.576 11.173 ( -2.243 0.000 6.489) 6.866 11.308 ( 2.429 0.000 1.444) 2.825 11.340 ( -10.116 0.000 0.537) 10.130 11.563 ( 1.288 0.000 4.410) 4.595 11.654 ( 0.147 0.000 2.201) 2.206 11.678 ( 5.282 0.000 0.104) 5.283 11.768 ( 2.010 0.000 -5.065) 5.449 11.775 ( -10.813 0.000 -6.088) 12.410 11.893 ( 6.882 0.000 -1.127) 6.974 11.965 ( 8.619 0.000 -4.254) 9.612 12.226 ( 18.763 0.000 -6.321) 19.799 12.269 ( -4.649 0.000 -2.901) 5.480 12.329 ( 18.389 0.000 -1.064) 18.420 12.339 ( -6.841 0.000 -3.295) 7.593 12.443 ( 1.908 0.000 -4.140) 4.559 12.489 ( 1.368 0.000 5.432) 5.602 12.568 ( 6.355 0.000 4.199) 7.617 12.720 ( -2.281 0.000 4.460) 5.010 12.788 ( -1.514 0.000 2.102) 2.590 13.038 ( -4.114 0.000 -4.619) 6.185 13.142 ( 2.953 0.000 2.577) 3.919 13.224 ( -0.996 0.000 1.652) 1.929 13.242 ( 2.625 0.000 2.819) 3.852 13.546 ( 2.306 0.000 2.624) 3.493 13.654 ( 5.333 0.000 0.780) 5.390 13.971 ( 2.792 0.000 -7.192) 7.715 14.105 ( -5.181 0.000 -4.576) 6.912 14.215 ( -6.575 0.000 4.877) 8.187 14.301 ( 10.470 0.000 0.947) 10.513 14.320 ( 0.770 0.000 -7.106) 7.148 14.383 ( -5.985 0.000 2.351) 6.430 14.618 ( 5.498 0.000 -3.097) 6.311 14.771 ( -1.228 0.000 7.238) 7.341 15.011 ( 0.172 0.000 2.810) 2.815 15.282 ( -3.251 0.000 -3.048) 4.456 15.377 ( -1.214 0.000 -11.691) 11.754 15.452 ( -0.026 0.000 8.404) 8.404 15.780 ( 2.499 0.000 4.062) 4.769 16.068 ( 3.249 0.000 0.647) 3.313 16.242 ( -2.813 0.000 -4.142) 5.006 16.580 ( 0.563 0.000 3.572) 3.616 16.849 ( 1.919 0.000 4.741) 5.115 16.934 ( -0.899 0.000 -3.564) 3.675 16.978 ( 0.367 0.000 -1.053) 1.115 17.058 ( -0.115 0.000 -0.119) 0.165 17.098 ( -0.859 0.000 0.051) 0.860 20.741 ( -23.955 0.000 -0.281) 23.956 20.767 ( 0.919 0.000 -1.066) 1.408 20.898 ( -1.168 0.000 0.451) 1.252 20.932 ( 1.996 0.000 -0.933) 2.203 21.745 ( -2.003 0.000 2.420) 3.141 21.893 ( -2.121 0.000 8.415) 8.678 21.940 ( 0.983 0.000 -1.763) 2.018 22.399 ( -0.468 0.000 1.565) 1.634 22.410 ( -0.162 0.000 -7.207) 7.209 22.578 ( 0.861 0.000 -1.166) 1.449 22.720 ( -0.764 0.000 0.979) 1.241 22.805 ( 1.351 0.000 -1.181) 1.794 23.060 ( -1.716 0.000 3.111) 3.553 23.110 ( 2.334 0.000 0.652) 2.423 23.756 ( 1.398 0.000 5.153) 5.339 23.904 ( 2.126 0.000 2.301) 3.133 24.002 ( 1.534 0.000 -1.150) 1.917 24.094 ( -1.367 0.000 -2.070) 2.481 24.339 ( -0.108 0.000 -3.223) 3.225 24.498 ( -2.440 0.000 -6.587) 7.024 24.876 ( 10.085 0.000 5.208) 11.350 25.193 ( -0.916 0.000 -2.926) 3.065 25.941 ( 22.016 0.000 1.255) 22.052 26.025 ( -1.461 0.000 -0.704) 1.621 26.711 ( -8.200 0.000 0.015) 8.201 26.712 ( 0.297 0.000 -0.010) 0.297 26.737 ( 0.115 0.000 0.199) 0.229 26.751 ( -0.126 0.000 -0.166) 0.209 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 19.219 0.000 24.954) 31.497 1.279 ( 26.185 0.000 28.670) 38.828 2.116 ( 44.061 0.000 33.668) 55.451 2.303 ( -5.459 0.000 -20.263) 20.985 2.530 ( 9.427 0.000 -14.246) 17.082 2.616 ( 14.849 0.000 -9.527) 17.643 2.878 ( 1.828 0.000 5.954) 6.228 3.009 ( -1.768 0.000 5.703) 5.971 3.047 ( 0.026 0.000 -0.194) 0.196 3.216 ( -2.581 0.000 -1.099) 2.805 3.251 ( -3.039 0.000 1.311) 3.310 3.383 ( -0.584 0.000 3.875) 3.919 3.397 ( 2.793 0.000 0.876) 2.927 3.450 ( 3.351 0.000 -3.613) 4.928 3.480 ( 2.484 0.000 4.891) 5.485 3.573 ( 2.107 0.000 -3.756) 4.307 3.677 ( -1.090 0.000 -2.397) 2.633 3.679 ( -1.208 0.000 2.264) 2.566 3.860 ( 6.425 0.000 -5.478) 8.444 3.963 ( -6.386 0.000 -1.489) 6.557 3.973 ( 5.323 0.000 0.256) 5.329 4.058 ( 1.509 0.000 0.297) 1.538 4.167 ( -3.445 0.000 9.976) 10.554 4.169 ( 2.046 0.000 -3.768) 4.288 4.263 ( -2.144 0.000 -0.434) 2.187 4.281 ( 9.067 0.000 6.502) 11.157 4.348 ( 1.302 0.000 1.006) 1.645 4.458 ( -5.784 0.000 1.223) 5.912 4.503 ( -10.175 0.000 -5.919) 11.771 4.705 ( -7.870 0.000 0.818) 7.913 4.717 ( -0.755 0.000 -9.592) 9.621 4.735 ( -8.966 0.000 -3.265) 9.542 4.770 ( 4.515 0.000 -5.000) 6.737 4.897 ( 3.702 0.000 -0.959) 3.824 5.069 ( 4.064 0.000 4.547) 6.099 5.124 ( -6.637 0.000 -3.897) 7.696 5.135 ( 0.436 0.000 0.514) 0.674 5.251 ( 5.952 0.000 0.639) 5.986 5.316 ( 6.458 0.000 -3.430) 7.312 5.349 ( 5.575 0.000 3.293) 6.475 5.494 ( 2.767 0.000 1.368) 3.087 5.499 ( 5.249 0.000 -0.983) 5.341 5.664 ( 5.658 0.000 -3.367) 6.584 5.829 ( 5.288 0.000 -9.273) 10.674 5.888 ( 17.053 0.000 -14.493) 22.379 5.926 ( -1.772 0.000 3.941) 4.321 5.989 ( 3.035 0.000 -5.637) 6.402 6.022 ( 2.672 0.000 3.855) 4.691 6.129 ( -13.236 0.000 -1.667) 13.341 6.292 ( 5.547 0.000 2.261) 5.991 6.427 ( -10.137 0.000 -4.396) 11.050 6.578 ( -5.895 0.000 0.031) 5.895 6.663 ( -6.128 0.000 4.175) 7.415 6.699 ( -0.752 0.000 8.212) 8.247 6.840 ( 1.085 0.000 -0.494) 1.192 6.859 ( -5.291 0.000 -1.639) 5.539 6.913 ( -0.979 0.000 4.404) 4.511 6.946 ( -20.337 0.000 -2.510) 20.491 6.962 ( -3.408 0.000 -4.647) 5.763 7.154 ( -1.617 0.000 3.975) 4.291 7.189 ( -1.125 0.000 3.397) 3.579 7.318 ( -6.721 0.000 -3.706) 7.675 7.416 ( -8.945 0.000 15.761) 18.122 7.485 ( 0.094 0.000 4.836) 4.836 7.625 ( -6.739 0.000 -3.744) 7.710 7.636 ( -9.475 0.000 -4.604) 10.534 7.835 ( 9.706 0.000 -9.199) 13.372 7.855 ( 5.457 0.000 0.352) 5.468 7.901 ( -4.571 0.000 -3.644) 5.846 8.046 ( -4.599 0.000 3.127) 5.561 8.106 ( -3.137 0.000 3.940) 5.037 8.155 ( -5.736 0.000 5.568) 7.994 8.158 ( 3.489 0.000 4.764) 5.905 8.231 ( -0.417 0.000 4.520) 4.539 8.497 ( -4.159 0.000 4.179) 5.896 8.524 ( -5.403 0.000 6.797) 8.682 8.620 ( -2.192 0.000 -2.062) 3.009 8.744 ( -2.397 0.000 3.249) 4.037 8.752 ( 7.014 0.000 -4.213) 8.182 8.924 ( 3.542 0.000 -2.302) 4.224 8.949 ( -0.894 0.000 -8.649) 8.695 8.986 ( -5.468 0.000 3.623) 6.559 9.300 ( -7.614 0.000 -0.667) 7.643 9.389 ( 7.365 0.000 4.068) 8.414 9.502 ( -4.685 0.000 1.798) 5.018 9.596 ( -0.453 0.000 0.951) 1.053 9.608 ( 4.198 0.000 3.971) 5.779 9.627 ( 0.007 0.000 4.224) 4.224 9.830 ( 0.297 0.000 2.359) 2.378 9.842 ( -3.209 0.000 -1.311) 3.466 9.981 ( -1.225 0.000 -6.461) 6.576 10.022 ( 1.493 0.000 9.183) 9.304 10.090 ( -1.606 0.000 -0.491) 1.679 10.288 ( 12.298 0.000 -5.092) 13.311 10.347 ( -0.404 0.000 7.378) 7.389 10.398 ( -1.243 0.000 -3.671) 3.876 10.475 ( 3.177 0.000 -2.077) 3.796 10.507 ( -0.682 0.000 2.434) 2.528 10.532 ( -11.156 0.000 -9.006) 14.337 10.539 ( -1.356 0.000 -1.072) 1.728 10.714 ( 3.953 0.000 1.253) 4.147 10.784 ( 3.041 0.000 -4.873) 5.744 10.807 ( -2.100 0.000 1.990) 2.894 10.963 ( -2.897 0.000 5.937) 6.606 11.014 ( 4.524 0.000 -3.470) 5.702 11.129 ( -6.823 0.000 4.052) 7.936 11.151 ( -4.751 0.000 5.435) 7.219 11.303 ( 9.854 0.000 -3.286) 10.388 11.334 ( -0.807 0.000 1.628) 1.817 11.577 ( -4.013 0.000 -1.136) 4.171 11.597 ( -1.936 0.000 -2.537) 3.191 11.724 ( 4.651 0.000 4.706) 6.617 11.810 ( 4.268 0.000 -7.209) 8.378 11.928 ( 12.326 0.000 -2.929) 12.669 12.036 ( 3.777 0.000 -2.277) 4.410 12.048 ( 2.932 0.000 -0.856) 3.054 12.132 ( -1.927 0.000 -8.520) 8.735 12.316 ( 7.587 0.000 1.577) 7.749 12.359 ( -2.746 0.000 3.204) 4.220 12.430 ( 7.024 0.000 -2.227) 7.369 12.564 ( 6.633 0.000 -3.208) 7.368 12.585 ( 6.615 0.000 1.588) 6.803 12.685 ( 2.912 0.000 5.039) 5.820 12.843 ( 5.010 0.000 1.083) 5.125 12.890 ( 1.975 0.000 -7.190) 7.456 12.967 ( 2.992 0.000 -6.765) 7.397 13.210 ( 5.235 0.000 0.881) 5.309 13.372 ( 9.601 0.000 13.157) 16.288 13.399 ( 8.900 0.000 -8.297) 12.168 13.680 ( 11.283 0.000 -2.722) 11.606 13.769 ( 5.256 0.000 1.268) 5.407 13.940 ( -7.041 0.000 -8.830) 11.294 14.080 ( 7.330 0.000 -4.712) 8.714 14.132 ( -5.475 0.000 1.460) 5.666 14.191 ( -3.722 0.000 -9.823) 10.504 14.325 ( 1.428 0.000 1.195) 1.861 14.652 ( 19.398 0.000 -8.873) 21.331 14.764 ( 4.174 0.000 1.042) 4.302 14.833 ( 4.374 0.000 6.445) 7.789 15.102 ( 5.150 0.000 3.494) 6.223 15.180 ( -4.060 0.000 -3.498) 5.359 15.269 ( -0.858 0.000 -12.280) 12.310 15.410 ( -9.522 0.000 8.610) 12.837 15.762 ( -4.847 0.000 -2.232) 5.336 16.141 ( -4.910 0.000 -7.133) 8.660 16.168 ( 5.087 0.000 2.670) 5.745 16.494 ( -9.715 0.000 10.877) 14.583 16.810 ( -8.791 0.000 -4.623) 9.932 16.841 ( -5.305 0.000 2.838) 6.016 16.899 ( -7.216 0.000 -1.093) 7.298 16.983 ( -6.088 0.000 5.229) 8.025 17.055 ( -2.638 0.000 -1.589) 3.080 20.717 ( 10.118 0.000 -5.578) 11.553 20.820 ( 4.149 0.000 1.045) 4.278 20.899 ( 1.420 0.000 -0.473) 1.497 20.998 ( 4.820 0.000 0.058) 4.820 21.742 ( -0.386 0.000 2.302) 2.334 21.914 ( -1.545 0.000 9.048) 9.179 21.960 ( 2.087 0.000 -1.158) 2.387 22.353 ( -1.579 0.000 -6.625) 6.810 22.409 ( 0.370 0.000 1.615) 1.657 22.594 ( 2.406 0.000 -2.330) 3.350 22.702 ( -1.487 0.000 0.559) 1.589 22.816 ( -0.212 0.000 0.209) 0.298 23.081 ( 2.910 0.000 1.116) 3.117 23.212 ( 7.112 0.000 1.347) 7.239 23.834 ( 2.464 0.000 5.967) 6.456 23.979 ( 2.847 0.000 2.912) 4.073 23.992 ( -3.757 0.000 -4.043) 5.519 24.016 ( -0.967 0.000 0.628) 1.153 24.255 ( -6.046 0.000 -1.574) 6.247 24.383 ( -3.872 0.000 -9.045) 9.839 24.833 ( -12.564 0.000 10.737) 16.527 25.078 ( -6.830 0.000 -4.958) 8.440 25.610 ( -25.765 0.000 20.677) 33.036 25.883 ( -10.784 0.000 -4.257) 11.593 26.747 ( 2.868 0.000 0.278) 2.881 26.781 ( 3.956 0.000 0.216) 3.962 26.809 ( 5.042 0.000 0.681) 5.087 26.946 ( 12.383 0.000 -9.098) 15.366 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 26.963 0.000 14.103) 30.429 1.996 ( 29.078 0.000 16.322) 33.345 2.219 ( 10.168 0.000 -9.338) 13.805 2.641 ( 16.113 0.000 -17.445) 23.747 2.822 ( 7.741 0.000 -0.695) 7.772 2.941 ( 0.105 0.000 -1.652) 1.656 3.003 ( 14.297 0.000 -1.688) 14.396 3.022 ( 0.291 0.000 -3.531) 3.543 3.082 ( 6.699 0.000 18.372) 19.555 3.140 ( -2.349 0.000 1.559) 2.819 3.183 ( -3.275 0.000 -0.269) 3.286 3.357 ( -4.263 0.000 -1.868) 4.654 3.437 ( -5.333 0.000 8.237) 9.813 3.444 ( -3.677 0.000 -1.008) 3.813 3.548 ( -1.195 0.000 -1.816) 2.174 3.614 ( 13.220 0.000 3.479) 13.670 3.630 ( -3.743 0.000 -0.404) 3.765 3.704 ( 2.766 0.000 -0.645) 2.841 3.882 ( -17.607 0.000 -3.087) 17.875 3.944 ( 1.468 0.000 0.395) 1.520 3.955 ( 6.917 0.000 0.260) 6.922 4.099 ( 3.117 0.000 10.483) 10.936 4.144 ( -0.721 0.000 -3.225) 3.304 4.172 ( 5.152 0.000 -4.412) 6.783 4.204 ( 3.838 0.000 1.356) 4.071 4.338 ( -1.794 0.000 0.677) 1.917 4.398 ( 1.892 0.000 2.458) 3.101 4.464 ( -5.801 0.000 -2.129) 6.180 4.567 ( 6.115 0.000 5.140) 7.989 4.584 ( 0.269 0.000 0.396) 0.478 4.683 ( 9.692 0.000 7.742) 12.404 4.710 ( 7.727 0.000 -11.023) 13.462 4.796 ( -8.355 0.000 -0.434) 8.366 4.916 ( 13.332 0.000 -7.191) 15.148 5.073 ( -1.635 0.000 2.615) 3.084 5.081 ( 4.800 0.000 -4.257) 6.416 5.208 ( 2.280 0.000 7.978) 8.298 5.362 ( 4.828 0.000 -1.620) 5.093 5.410 ( 0.665 0.000 1.459) 1.603 5.429 ( -1.571 0.000 0.656) 1.703 5.604 ( 4.110 0.000 -0.233) 4.117 5.609 ( -7.560 0.000 -4.077) 8.589 5.695 ( 6.230 0.000 -6.211) 8.797 5.842 ( -4.094 0.000 0.364) 4.110 5.847 ( 0.694 0.000 3.967) 4.027 5.939 ( 6.788 0.000 -2.381) 7.193 6.011 ( -6.249 0.000 5.421) 8.272 6.015 ( 3.060 0.000 -6.181) 6.897 6.070 ( 5.537 0.000 -9.198) 10.736 6.333 ( 2.421 0.000 -7.416) 7.801 6.389 ( -11.368 0.000 -3.236) 11.819 6.449 ( -17.046 0.000 -6.603) 18.280 6.490 ( 9.204 0.000 2.648) 9.577 6.571 ( -5.859 0.000 -6.292) 8.597 6.648 ( -8.022 0.000 3.358) 8.697 6.808 ( -3.883 0.000 -3.534) 5.250 6.823 ( -2.190 0.000 9.538) 9.786 6.904 ( -3.771 0.000 6.438) 7.461 6.906 ( 1.774 0.000 -4.251) 4.607 7.090 ( -7.552 0.000 5.082) 9.102 7.191 ( -4.032 0.000 1.539) 4.315 7.232 ( 5.774 0.000 -0.816) 5.832 7.342 ( -6.172 0.000 4.844) 7.846 7.421 ( -8.041 0.000 -2.764) 8.503 7.476 ( -5.267 0.000 4.617) 7.004 7.499 ( -5.497 0.000 -0.081) 5.497 7.748 ( -6.837 0.000 -4.005) 7.924 7.853 ( -4.662 0.000 -2.369) 5.229 7.874 ( -4.187 0.000 0.882) 4.279 8.007 ( -0.699 0.000 1.573) 1.722 8.119 ( 3.185 0.000 -3.160) 4.487 8.122 ( -2.434 0.000 2.828) 3.731 8.244 ( 0.347 0.000 2.190) 2.217 8.294 ( 5.834 0.000 4.957) 7.656 8.441 ( -4.347 0.000 -3.996) 5.904 8.480 ( -2.171 0.000 9.005) 9.262 8.609 ( 4.488 0.000 9.453) 10.464 8.706 ( -2.944 0.000 8.922) 9.395 8.833 ( -0.659 0.000 -6.119) 6.154 8.923 ( 6.593 0.000 -6.426) 9.207 8.930 ( -3.785 0.000 1.141) 3.953 9.020 ( 5.830 0.000 -2.956) 6.537 9.175 ( -5.757 0.000 0.851) 5.820 9.376 ( -6.556 0.000 -1.024) 6.635 9.471 ( -1.743 0.000 4.715) 5.027 9.547 ( -5.555 0.000 2.268) 6.001 9.601 ( -3.717 0.000 0.228) 3.724 9.727 ( 3.755 0.000 1.270) 3.964 9.796 ( -2.618 0.000 3.566) 4.424 9.815 ( -1.986 0.000 -0.080) 1.988 9.953 ( -9.566 0.000 7.577) 12.203 9.984 ( 5.928 0.000 -8.295) 10.195 10.161 ( 3.279 0.000 -2.596) 4.182 10.273 ( -4.563 0.000 0.337) 4.576 10.307 ( -0.417 0.000 -3.889) 3.911 10.397 ( 2.853 0.000 -4.771) 5.559 10.414 ( 3.092 0.000 -4.827) 5.732 10.495 ( -2.059 0.000 -1.806) 2.739 10.537 ( 2.632 0.000 7.812) 8.243 10.686 ( 8.711 0.000 -2.464) 9.053 10.718 ( -0.327 0.000 -2.041) 2.067 10.729 ( -3.725 0.000 -6.101) 7.148 10.923 ( 11.425 0.000 4.544) 12.296 10.979 ( 0.066 0.000 4.609) 4.609 10.991 ( -3.662 0.000 5.723) 6.794 11.062 ( -7.137 0.000 4.799) 8.601 11.217 ( 7.246 0.000 0.830) 7.293 11.300 ( -3.248 0.000 4.264) 5.361 11.471 ( 7.598 0.000 -1.637) 7.772 11.510 ( -1.262 0.000 -8.795) 8.885 11.526 ( -4.216 0.000 -1.652) 4.528 11.808 ( 1.964 0.000 -3.634) 4.130 11.906 ( -1.361 0.000 -4.891) 5.076 11.909 ( 7.356 0.000 5.340) 9.090 12.027 ( -4.196 0.000 -2.528) 4.898 12.119 ( 7.453 0.000 -6.384) 9.814 12.194 ( 5.410 0.000 -2.202) 5.840 12.339 ( -0.584 0.000 5.380) 5.411 12.501 ( 2.237 0.000 1.896) 2.933 12.528 ( 8.377 0.000 2.047) 8.624 12.642 ( -3.174 0.000 6.599) 7.322 12.783 ( 12.255 0.000 -0.515) 12.266 12.857 ( 9.495 0.000 1.210) 9.572 12.902 ( 4.155 0.000 -1.547) 4.433 12.973 ( 2.058 0.000 -5.978) 6.322 13.018 ( 14.232 0.000 -1.363) 14.297 13.354 ( 6.956 0.000 1.744) 7.171 13.382 ( -3.675 0.000 -8.806) 9.542 13.689 ( 11.223 0.000 13.258) 17.371 13.734 ( -5.517 0.000 -4.610) 7.190 13.858 ( 1.031 0.000 -3.465) 3.615 13.894 ( 12.430 0.000 -11.940) 17.235 13.974 ( -3.421 0.000 0.955) 3.552 14.181 ( 4.802 0.000 -4.102) 6.316 14.209 ( 8.845 0.000 -1.766) 9.020 14.412 ( 4.511 0.000 -0.513) 4.540 14.787 ( -4.708 0.000 8.034) 9.311 14.854 ( 6.551 0.000 -1.885) 6.817 14.893 ( -3.224 0.000 -1.322) 3.484 15.121 ( 0.483 0.000 -1.480) 1.557 15.178 ( 4.411 0.000 -9.829) 10.774 15.243 ( -10.442 0.000 8.227) 13.293 15.261 ( 3.505 0.000 1.788) 3.935 15.571 ( -10.721 0.000 -7.494) 13.080 15.970 ( -7.282 0.000 -4.443) 8.531 16.264 ( 1.867 0.000 2.037) 2.763 16.407 ( -6.767 0.000 10.651) 12.619 16.583 ( -9.146 0.000 -4.081) 10.015 16.718 ( -9.314 0.000 -1.224) 9.394 16.718 ( -6.898 0.000 0.144) 6.899 16.900 ( -6.124 0.000 5.801) 8.436 16.987 ( -2.407 0.000 -2.935) 3.796 20.872 ( 9.432 0.000 -8.187) 12.490 20.901 ( 2.767 0.000 -0.252) 2.779 20.965 ( 4.418 0.000 3.257) 5.489 21.112 ( 6.469 0.000 0.343) 6.478 21.755 ( 0.040 0.000 2.898) 2.898 21.944 ( -1.953 0.000 10.314) 10.497 22.011 ( 3.479 0.000 0.124) 3.481 22.264 ( -3.297 0.000 -5.071) 6.049 22.432 ( 0.895 0.000 1.510) 1.756 22.634 ( 2.870 0.000 -2.994) 4.147 22.673 ( -1.754 0.000 0.520) 1.829 22.794 ( -2.108 0.000 0.218) 2.119 23.202 ( 9.095 0.000 0.348) 9.102 23.383 ( 8.762 0.000 0.292) 8.767 23.897 ( -3.578 0.000 -1.289) 3.803 23.898 ( -0.747 0.000 1.791) 1.940 23.972 ( -4.218 0.000 -3.955) 5.782 23.995 ( -1.317 0.000 -2.122) 2.498 24.161 ( -2.944 0.000 6.596) 7.223 24.239 ( -3.616 0.000 -10.069) 10.698 24.665 ( -10.424 0.000 10.270) 14.633 24.942 ( -2.059 0.000 -4.064) 4.556 25.325 ( -17.723 0.000 16.522) 24.230 25.587 ( -13.938 0.000 -8.097) 16.119 26.815 ( 3.486 0.000 0.171) 3.490 26.872 ( 4.682 0.000 0.042) 4.682 26.916 ( 4.261 0.000 1.815) 4.632 27.053 ( 4.701 0.000 -4.972) 6.842 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 24.957 0.000 9.021) 26.537 2.419 ( 20.699 0.000 -3.625) 21.014 2.677 ( -20.112 0.000 -0.327) 20.115 2.719 ( 20.363 0.000 12.445) 23.865 2.843 ( 8.217 0.000 -8.857) 12.082 2.848 ( -3.420 0.000 3.145) 4.646 2.964 ( -11.270 0.000 1.604) 11.384 3.079 ( 2.218 0.000 -0.092) 2.220 3.106 ( 1.344 0.000 -4.041) 4.258 3.175 ( -14.360 0.000 -1.923) 14.488 3.225 ( 9.339 0.000 -2.420) 9.648 3.303 ( 1.069 0.000 -2.815) 3.011 3.340 ( 1.563 0.000 4.162) 4.446 3.401 ( -1.988 0.000 9.184) 9.396 3.481 ( -3.765 0.000 -1.789) 4.169 3.542 ( -0.320 0.000 1.773) 1.802 3.682 ( 1.844 0.000 0.237) 1.860 3.746 ( 0.987 0.000 1.532) 1.823 3.818 ( 1.000 0.000 4.796) 4.899 3.842 ( -7.086 0.000 6.152) 9.384 4.054 ( 3.609 0.000 -5.248) 6.370 4.101 ( -2.525 0.000 2.311) 3.423 4.195 ( -6.930 0.000 -6.534) 9.525 4.243 ( 3.770 0.000 -6.703) 7.690 4.310 ( 5.081 0.000 -0.842) 5.151 4.364 ( 1.896 0.000 0.838) 2.073 4.439 ( -1.331 0.000 -1.350) 1.896 4.516 ( -8.577 0.000 -1.556) 8.717 4.566 ( 14.753 0.000 9.992) 17.819 4.696 ( 0.926 0.000 -1.434) 1.708 4.705 ( 8.246 0.000 2.678) 8.670 4.914 ( 7.854 0.000 1.725) 8.041 4.961 ( 7.468 0.000 5.910) 9.524 5.038 ( 3.459 0.000 -6.667) 7.511 5.113 ( -1.820 0.000 3.607) 4.040 5.188 ( -10.762 0.000 4.118) 11.523 5.239 ( 8.385 0.000 -2.566) 8.769 5.293 ( -22.020 0.000 1.096) 22.047 5.351 ( 3.227 0.000 -4.222) 5.314 5.407 ( 2.136 0.000 2.492) 3.282 5.466 ( 9.859 0.000 -9.362) 13.596 5.532 ( -4.369 0.000 5.646) 7.139 5.712 ( 5.429 0.000 1.033) 5.527 5.880 ( -2.397 0.000 0.719) 2.502 5.925 ( 0.728 0.000 -2.611) 2.711 5.936 ( 1.669 0.000 1.157) 2.030 6.023 ( -1.752 0.000 -0.647) 1.868 6.027 ( 0.865 0.000 -7.306) 7.357 6.038 ( 2.126 0.000 2.142) 3.018 6.267 ( 4.621 0.000 2.811) 5.409 6.271 ( -5.229 0.000 -7.962) 9.526 6.364 ( 7.094 0.000 -4.326) 8.309 6.459 ( -7.359 0.000 -2.873) 7.900 6.560 ( 5.604 0.000 -3.858) 6.804 6.605 ( 1.599 0.000 -3.246) 3.619 6.686 ( -3.007 0.000 -5.433) 6.210 6.765 ( -6.278 0.000 0.722) 6.320 6.833 ( -9.800 0.000 10.649) 14.472 6.964 ( 2.831 0.000 -2.047) 3.494 6.983 ( -6.273 0.000 1.483) 6.445 7.185 ( 0.574 0.000 7.296) 7.319 7.236 ( -2.740 0.000 -3.747) 4.642 7.336 ( -0.671 0.000 -1.422) 1.572 7.358 ( 0.136 0.000 1.557) 1.563 7.404 ( -0.582 0.000 -0.332) 0.670 7.445 ( 6.773 0.000 0.921) 6.835 7.563 ( -8.014 0.000 -5.316) 9.617 7.741 ( -5.110 0.000 3.199) 6.028 7.784 ( -5.745 0.000 2.328) 6.199 7.965 ( -4.869 0.000 -0.707) 4.920 8.077 ( -2.559 0.000 3.868) 4.638 8.134 ( 2.898 0.000 -4.502) 5.354 8.270 ( 0.694 0.000 1.660) 1.799 8.406 ( 2.543 0.000 -2.384) 3.486 8.498 ( 7.636 0.000 9.605) 12.270 8.516 ( -1.209 0.000 9.059) 9.139 8.671 ( -6.423 0.000 1.347) 6.563 8.701 ( -1.057 0.000 -0.549) 1.191 8.853 ( 4.324 0.000 4.319) 6.111 8.886 ( -0.631 0.000 3.016) 3.081 8.988 ( 2.264 0.000 -3.606) 4.258 9.083 ( 2.954 0.000 -4.368) 5.272 9.104 ( 0.266 0.000 1.072) 1.104 9.287 ( -1.647 0.000 -0.166) 1.656 9.421 ( -8.504 0.000 5.108) 9.920 9.428 ( -4.098 0.000 4.687) 6.226 9.519 ( -3.606 0.000 -1.947) 4.098 9.739 ( -4.633 0.000 2.333) 5.187 9.755 ( -0.562 0.000 -1.556) 1.654 9.791 ( -0.165 0.000 -0.737) 0.755 9.887 ( -2.459 0.000 7.012) 7.431 10.072 ( 7.660 0.000 -5.615) 9.498 10.117 ( 0.719 0.000 -3.716) 3.785 10.307 ( 2.574 0.000 -0.154) 2.579 10.314 ( 3.323 0.000 -7.037) 7.783 10.356 ( -3.064 0.000 -5.221) 6.054 10.452 ( -0.468 0.000 -1.888) 1.945 10.459 ( -0.004 0.000 0.338) 0.338 10.615 ( -2.082 0.000 -3.915) 4.434 10.641 ( 2.703 0.000 -1.949) 3.332 10.684 ( 3.290 0.000 7.524) 8.212 10.859 ( 3.713 0.000 -1.788) 4.121 10.886 ( -8.464 0.000 -1.311) 8.565 11.016 ( -0.545 0.000 8.562) 8.580 11.026 ( -2.705 0.000 7.070) 7.570 11.142 ( 6.161 0.000 5.252) 8.096 11.295 ( -1.207 0.000 1.939) 2.284 11.314 ( 3.160 0.000 -1.332) 3.429 11.394 ( -3.781 0.000 1.390) 4.029 11.470 ( 4.827 0.000 -8.334) 9.631 11.565 ( 0.930 0.000 -4.067) 4.172 11.777 ( 1.432 0.000 -8.389) 8.510 11.920 ( -3.891 0.000 1.732) 4.259 11.930 ( 4.075 0.000 -2.425) 4.742 12.132 ( 8.474 0.000 7.574) 11.366 12.209 ( 4.582 0.000 -3.677) 5.875 12.252 ( 2.153 0.000 -1.179) 2.455 12.313 ( -8.169 0.000 5.628) 9.920 12.560 ( 1.804 0.000 4.761) 5.092 12.587 ( -3.695 0.000 2.686) 4.568 12.649 ( 1.589 0.000 3.662) 3.992 12.886 ( -1.289 0.000 -10.586) 10.664 12.968 ( 6.572 0.000 -1.242) 6.688 12.996 ( 2.791 0.000 2.693) 3.879 13.076 ( 4.597 0.000 0.252) 4.604 13.239 ( 6.483 0.000 -3.146) 7.206 13.239 ( -0.790 0.000 -2.623) 2.739 13.464 ( 4.139 0.000 -7.861) 8.884 13.663 ( 0.685 0.000 -6.456) 6.493 13.693 ( -5.840 0.000 -9.352) 11.026 13.908 ( 3.098 0.000 10.415) 10.866 14.052 ( 10.270 0.000 -5.403) 11.605 14.166 ( 13.733 0.000 8.681) 16.247 14.280 ( 4.426 0.000 1.348) 4.626 14.392 ( -4.403 0.000 -4.548) 6.330 14.419 ( 11.443 0.000 1.008) 11.488 14.546 ( -20.455 0.000 1.309) 20.497 14.831 ( -2.737 0.000 4.287) 5.086 14.984 ( 4.425 0.000 0.910) 4.518 15.105 ( -4.741 0.000 0.415) 4.759 15.180 ( -1.622 0.000 -5.368) 5.608 15.194 ( 1.473 0.000 4.987) 5.200 15.250 ( -0.924 0.000 -7.141) 7.201 15.415 ( 2.237 0.000 -0.803) 2.377 15.834 ( -4.800 0.000 0.229) 4.806 16.243 ( -2.095 0.000 -0.697) 2.208 16.358 ( -3.685 0.000 7.006) 7.916 16.475 ( -1.007 0.000 -1.966) 2.209 16.570 ( -3.978 0.000 -1.032) 4.110 16.605 ( -3.624 0.000 -2.657) 4.494 16.823 ( -4.972 0.000 4.543) 6.735 16.946 ( 0.454 0.000 -2.241) 2.287 20.935 ( 1.251 0.000 -1.342) 1.834 20.970 ( 5.238 0.000 -6.310) 8.201 21.057 ( 1.102 0.000 5.325) 5.438 21.248 ( 6.799 0.000 0.994) 6.871 21.781 ( 0.334 0.000 4.105) 4.119 21.968 ( -3.128 0.000 12.848) 13.223 22.074 ( 0.653 0.000 -0.454) 0.796 22.201 ( 1.407 0.000 -0.274) 1.433 22.457 ( 0.394 0.000 1.292) 1.351 22.649 ( -0.904 0.000 0.936) 1.301 22.658 ( 1.684 0.000 -3.611) 3.985 22.746 ( -2.207 0.000 -0.750) 2.331 23.419 ( 10.575 0.000 0.600) 10.592 23.494 ( 3.348 0.000 -7.489) 8.203 23.730 ( -8.537 0.000 -5.744) 10.290 23.808 ( -7.810 0.000 0.315) 7.816 23.911 ( -2.247 0.000 -3.794) 4.410 23.932 ( -0.925 0.000 -4.221) 4.321 24.182 ( -1.201 0.000 7.661) 7.755 24.204 ( 6.559 0.000 -3.516) 7.442 24.562 ( -4.960 0.000 4.175) 6.483 24.939 ( 0.852 0.000 -3.180) 3.292 25.100 ( -14.724 0.000 11.933) 18.953 25.333 ( -2.926 0.000 -6.557) 7.180 26.869 ( 1.551 0.000 0.310) 1.582 26.940 ( 1.871 0.000 -0.807) 2.038 26.981 ( 1.003 0.000 1.813) 2.072 27.095 ( 2.386 0.000 -2.140) 3.205 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -31.723 0.000 3.729) 31.942 2.349 ( -36.038 0.000 -1.872) 36.086 2.678 ( -3.547 0.000 8.176) 8.913 2.744 ( 14.896 0.000 3.513) 15.305 2.793 ( -5.991 0.000 -5.174) 7.916 2.902 ( 3.041 0.000 -0.323) 3.059 2.920 ( 10.418 0.000 0.832) 10.451 3.102 ( -0.360 0.000 -0.614) 0.711 3.161 ( 6.746 0.000 1.781) 6.977 3.164 ( -9.906 0.000 0.086) 9.906 3.281 ( -6.577 0.000 0.496) 6.595 3.328 ( -2.231 0.000 0.561) 2.300 3.415 ( 14.353 0.000 8.598) 16.731 3.493 ( -0.712 0.000 0.939) 1.178 3.604 ( 13.460 0.000 4.762) 14.277 3.610 ( -0.959 0.000 -6.719) 6.787 3.715 ( 8.211 0.000 8.127) 11.553 3.737 ( 0.390 0.000 0.101) 0.403 3.765 ( 1.560 0.000 2.005) 2.541 3.854 ( -5.892 0.000 -6.360) 8.670 3.990 ( -11.441 0.000 -3.236) 11.890 4.103 ( 1.973 0.000 5.310) 5.665 4.126 ( 2.517 0.000 3.722) 4.493 4.230 ( -0.741 0.000 -4.562) 4.622 4.329 ( -6.167 0.000 -4.083) 7.396 4.339 ( -1.079 0.000 1.159) 1.583 4.390 ( 0.522 0.000 0.808) 0.962 4.416 ( -13.731 0.000 -1.855) 13.856 4.446 ( -7.158 0.000 3.258) 7.864 4.652 ( -14.676 0.000 -8.589) 17.004 4.703 ( 1.753 0.000 -6.811) 7.033 4.844 ( -10.494 0.000 3.950) 11.212 4.957 ( -2.185 0.000 3.493) 4.120 4.981 ( 7.656 0.000 -0.166) 7.658 5.110 ( 5.976 0.000 -3.809) 7.087 5.161 ( 1.134 0.000 7.797) 7.879 5.272 ( -2.748 0.000 5.761) 6.383 5.304 ( 7.970 0.000 2.751) 8.431 5.482 ( 7.052 0.000 -0.331) 7.059 5.533 ( 5.013 0.000 2.546) 5.623 5.587 ( 2.671 0.000 -8.035) 8.467 5.652 ( 6.426 0.000 2.847) 7.028 5.727 ( -20.426 0.000 -5.924) 21.268 5.805 ( 3.053 0.000 1.503) 3.403 5.840 ( -0.639 0.000 1.484) 1.616 5.879 ( -4.531 0.000 -0.673) 4.580 5.971 ( 1.362 0.000 -0.380) 1.414 6.032 ( -5.677 0.000 -13.626) 14.762 6.154 ( 1.308 0.000 -5.159) 5.322 6.164 ( 4.811 0.000 8.496) 9.764 6.433 ( 3.665 0.000 1.959) 4.156 6.440 ( 8.981 0.000 10.638) 13.922 6.512 ( 10.128 0.000 4.441) 11.058 6.562 ( -4.714 0.000 -9.961) 11.020 6.602 ( 3.310 0.000 -9.420) 9.985 6.664 ( -7.994 0.000 -2.050) 8.252 6.708 ( 6.870 0.000 1.729) 7.085 6.767 ( 9.840 0.000 2.095) 10.061 6.956 ( 5.808 0.000 -5.607) 8.073 6.988 ( 2.810 0.000 -0.767) 2.912 7.149 ( -8.341 0.000 3.371) 8.997 7.162 ( -2.524 0.000 -3.118) 4.011 7.245 ( -4.118 0.000 -1.589) 4.414 7.383 ( -0.382 0.000 -1.023) 1.092 7.436 ( 3.748 0.000 1.116) 3.911 7.545 ( 8.628 0.000 1.888) 8.832 7.666 ( 0.960 0.000 5.189) 5.277 7.695 ( -0.794 0.000 -4.281) 4.354 7.774 ( 12.022 0.000 3.130) 12.423 7.887 ( -2.031 0.000 2.566) 3.273 8.024 ( -4.962 0.000 -1.799) 5.278 8.172 ( 2.426 0.000 -3.384) 4.164 8.294 ( 0.312 0.000 1.865) 1.891 8.392 ( -4.493 0.000 0.069) 4.493 8.483 ( -6.045 0.000 3.371) 6.921 8.587 ( -1.869 0.000 6.862) 7.112 8.622 ( -4.352 0.000 4.849) 6.516 8.696 ( 1.182 0.000 12.397) 12.453 8.885 ( -1.571 0.000 -0.354) 1.611 8.969 ( 7.720 0.000 -1.685) 7.902 9.031 ( 4.945 0.000 -1.209) 5.091 9.094 ( 1.108 0.000 -2.850) 3.058 9.197 ( 6.454 0.000 1.422) 6.608 9.273 ( -1.066 0.000 -1.470) 1.816 9.297 ( -7.675 0.000 4.948) 9.131 9.398 ( -0.977 0.000 1.338) 1.657 9.460 ( -1.727 0.000 0.729) 1.875 9.684 ( -4.333 0.000 -5.444) 6.958 9.702 ( -0.170 0.000 1.427) 1.437 9.816 ( 2.526 0.000 1.541) 2.959 9.874 ( -2.156 0.000 2.666) 3.429 10.167 ( 0.357 0.000 0.273) 0.449 10.195 ( 7.958 0.000 -1.401) 8.080 10.293 ( -4.767 0.000 -0.119) 4.769 10.297 ( 6.888 0.000 -10.825) 12.831 10.338 ( 2.584 0.000 -4.228) 4.955 10.440 ( 2.660 0.000 1.298) 2.960 10.493 ( 1.536 0.000 2.754) 3.153 10.571 ( 0.488 0.000 -5.244) 5.267 10.616 ( -4.486 0.000 -2.629) 5.199 10.711 ( -6.195 0.000 -4.595) 7.713 10.847 ( 5.395 0.000 10.175) 11.517 10.855 ( -2.083 0.000 -0.336) 2.109 11.033 ( -3.269 0.000 6.579) 7.346 11.035 ( 0.316 0.000 6.484) 6.492 11.139 ( -9.952 0.000 -1.101) 10.013 11.257 ( 1.870 0.000 5.193) 5.519 11.319 ( -0.851 0.000 -2.182) 2.342 11.459 ( -1.133 0.000 -5.395) 5.513 11.503 ( 6.236 0.000 4.055) 7.438 11.598 ( 6.086 0.000 -4.297) 7.450 11.773 ( -0.587 0.000 -5.578) 5.609 11.879 ( 0.920 0.000 -3.429) 3.551 11.986 ( 2.467 0.000 1.049) 2.681 12.108 ( -11.580 0.000 0.109) 11.580 12.236 ( 0.482 0.000 -1.930) 1.989 12.306 ( 4.182 0.000 -0.409) 4.202 12.309 ( 2.067 0.000 10.989) 11.182 12.504 ( -6.629 0.000 1.390) 6.773 12.571 ( -5.329 0.000 0.459) 5.349 12.662 ( -3.412 0.000 4.380) 5.552 12.808 ( 3.587 0.000 -5.813) 6.830 13.008 ( -3.169 0.000 3.427) 4.667 13.016 ( -4.189 0.000 -0.839) 4.272 13.044 ( 0.565 0.000 -1.442) 1.549 13.228 ( -5.651 0.000 -4.579) 7.273 13.365 ( -2.948 0.000 -13.861) 14.171 13.390 ( 8.961 0.000 3.158) 9.501 13.513 ( -9.074 0.000 -6.151) 10.962 13.624 ( -0.739 0.000 -7.881) 7.916 14.013 ( -7.469 0.000 7.709) 10.734 14.054 ( -13.137 0.000 1.205) 13.192 14.190 ( -2.095 0.000 -5.010) 5.431 14.265 ( 2.535 0.000 2.507) 3.565 14.388 ( 3.057 0.000 -0.177) 3.062 14.571 ( 16.721 0.000 7.934) 18.508 14.604 ( -0.153 0.000 1.912) 1.918 14.802 ( -3.475 0.000 5.085) 6.158 14.840 ( -2.876 0.000 -7.083) 7.645 15.025 ( -1.773 0.000 -1.241) 2.164 15.216 ( 0.104 0.000 -1.934) 1.937 15.232 ( -1.005 0.000 2.945) 3.111 15.353 ( 14.538 0.000 -5.687) 15.611 15.495 ( 6.826 0.000 -6.103) 9.157 15.807 ( -0.311 0.000 9.600) 9.605 16.222 ( -1.003 0.000 -2.886) 3.056 16.368 ( 0.183 0.000 6.548) 6.551 16.492 ( 5.176 0.000 0.225) 5.181 16.542 ( 0.138 0.000 -6.066) 6.067 16.577 ( 5.500 0.000 -0.890) 5.572 16.770 ( -2.602 0.000 2.919) 3.910 16.975 ( 2.969 0.000 -0.753) 3.063 20.926 ( -1.495 0.000 -1.048) 1.826 20.994 ( 1.025 0.000 -4.755) 4.865 21.064 ( -3.186 0.000 4.022) 5.130 21.387 ( 6.564 0.000 1.422) 6.716 21.819 ( 0.141 0.000 5.903) 5.904 21.993 ( -4.008 0.000 17.375) 17.831 22.024 ( -2.565 0.000 -2.570) 3.631 22.318 ( 6.233 0.000 4.773) 7.851 22.454 ( -1.386 0.000 0.929) 1.669 22.636 ( -1.250 0.000 -5.174) 5.322 22.658 ( 0.994 0.000 1.537) 1.831 22.727 ( 1.126 0.000 -0.692) 1.322 23.382 ( -9.751 0.000 -3.305) 10.296 23.423 ( -2.631 0.000 -12.436) 12.711 23.595 ( -9.727 0.000 -7.757) 12.442 23.791 ( 11.284 0.000 -2.927) 11.658 23.837 ( -0.099 0.000 -0.831) 0.837 23.926 ( 1.309 0.000 -2.186) 2.548 24.149 ( -6.299 0.000 1.798) 6.551 24.400 ( 5.552 0.000 11.123) 12.432 24.539 ( 6.055 0.000 -5.130) 7.936 24.902 ( 1.645 0.000 -4.376) 4.675 24.906 ( -11.013 0.000 6.699) 12.890 25.446 ( 12.993 0.000 -0.664) 13.010 26.872 ( -1.531 0.000 0.588) 1.640 26.926 ( -2.403 0.000 -1.275) 2.721 26.976 ( -2.483 0.000 1.336) 2.819 27.127 ( 1.796 0.000 -1.148) 2.132 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -37.088 0.000 4.708) 37.386 1.603 ( -39.506 0.000 3.887) 39.697 2.538 ( -46.332 0.000 5.840) 46.699 2.561 ( -6.656 0.000 -12.153) 13.856 2.688 ( -0.008 0.000 8.090) 8.090 2.874 ( -8.155 0.000 -0.590) 8.177 2.904 ( -14.171 0.000 -2.054) 14.319 3.077 ( -1.406 0.000 -2.880) 3.205 3.134 ( 3.633 0.000 2.892) 4.644 3.185 ( 7.356 0.000 4.691) 8.725 3.264 ( 2.499 0.000 -2.228) 3.348 3.290 ( -2.687 0.000 6.719) 7.237 3.428 ( 6.182 0.000 4.882) 7.877 3.570 ( -9.566 0.000 -7.212) 11.980 3.575 ( 3.128 0.000 -1.213) 3.355 3.685 ( -4.481 0.000 4.173) 6.123 3.733 ( -4.774 0.000 0.802) 4.841 3.769 ( 1.672 0.000 -1.176) 2.044 3.788 ( -0.237 0.000 -3.719) 3.726 3.947 ( 5.543 0.000 -2.160) 5.949 4.006 ( 7.186 0.000 0.566) 7.208 4.054 ( -4.756 0.000 -0.763) 4.816 4.098 ( -3.265 0.000 -2.878) 4.353 4.182 ( 4.963 0.000 -0.274) 4.971 4.221 ( -4.530 0.000 -0.728) 4.588 4.289 ( -8.209 0.000 0.451) 8.221 4.291 ( 0.508 0.000 0.925) 1.055 4.441 ( 4.385 0.000 9.621) 10.573 4.442 ( 2.533 0.000 1.912) 3.174 4.562 ( 5.723 0.000 3.977) 6.969 4.692 ( 3.470 0.000 -12.595) 13.064 4.692 ( -5.379 0.000 0.820) 5.441 4.972 ( -0.624 0.000 7.401) 7.427 5.105 ( 3.054 0.000 0.495) 3.094 5.107 ( -9.689 0.000 3.205) 10.205 5.198 ( -2.288 0.000 7.673) 8.007 5.226 ( -4.006 0.000 2.090) 4.519 5.328 ( -5.513 0.000 -7.186) 9.057 5.441 ( -10.542 0.000 -2.553) 10.847 5.442 ( 3.779 0.000 3.034) 4.846 5.613 ( 4.732 0.000 -4.376) 6.445 5.648 ( 1.273 0.000 -6.999) 7.114 5.665 ( -9.785 0.000 0.373) 9.792 5.796 ( 12.809 0.000 -1.808) 12.936 5.840 ( -3.947 0.000 1.055) 4.086 5.915 ( 2.973 0.000 -9.486) 9.941 5.945 ( -5.612 0.000 1.281) 5.756 6.001 ( 7.961 0.000 -1.747) 8.150 6.123 ( -2.144 0.000 3.457) 4.068 6.133 ( 1.072 0.000 1.033) 1.489 6.415 ( -1.219 0.000 -7.799) 7.894 6.438 ( -7.522 0.000 -6.957) 10.246 6.509 ( 2.430 0.000 3.213) 4.028 6.666 ( 9.279 0.000 4.048) 10.124 6.725 ( 10.748 0.000 -10.597) 15.093 6.886 ( 3.784 0.000 -4.415) 5.815 6.908 ( 8.970 0.000 7.002) 11.379 6.920 ( 7.301 0.000 4.079) 8.363 6.988 ( 2.780 0.000 0.043) 2.781 7.076 ( 2.514 0.000 7.092) 7.525 7.126 ( 2.756 0.000 -3.458) 4.422 7.141 ( 8.139 0.000 2.876) 8.632 7.263 ( 3.418 0.000 3.896) 5.182 7.317 ( -3.873 0.000 3.027) 4.915 7.570 ( 9.543 0.000 -1.510) 9.661 7.659 ( 4.446 0.000 -4.870) 6.594 7.747 ( 3.592 0.000 4.056) 5.418 7.754 ( 8.209 0.000 -5.588) 9.930 7.858 ( -5.585 0.000 -4.550) 7.204 7.932 ( 1.636 0.000 5.030) 5.289 7.989 ( 3.709 0.000 1.103) 3.870 8.166 ( 0.360 0.000 -2.316) 2.344 8.291 ( -1.392 0.000 1.407) 1.979 8.299 ( -3.663 0.000 3.028) 4.752 8.456 ( 0.899 0.000 5.125) 5.204 8.494 ( -10.826 0.000 10.127) 14.825 8.612 ( -1.153 0.000 6.925) 7.021 8.829 ( 2.331 0.000 11.271) 11.509 8.844 ( -0.100 0.000 -3.609) 3.611 9.064 ( 2.945 0.000 -6.586) 7.214 9.109 ( 1.746 0.000 -0.998) 2.011 9.136 ( -10.127 0.000 1.504) 10.238 9.164 ( 7.018 0.000 2.008) 7.300 9.196 ( -4.607 0.000 -2.331) 5.163 9.371 ( 9.316 0.000 0.605) 9.336 9.387 ( 0.172 0.000 -3.258) 3.262 9.453 ( 0.398 0.000 1.067) 1.139 9.531 ( -7.193 0.000 -6.033) 9.387 9.722 ( 0.478 0.000 2.049) 2.104 9.867 ( 0.249 0.000 1.015) 1.045 9.893 ( 4.190 0.000 2.521) 4.890 10.153 ( -0.609 0.000 2.215) 2.297 10.204 ( -4.459 0.000 1.504) 4.705 10.327 ( 3.609 0.000 -5.548) 6.619 10.330 ( 0.303 0.000 -0.180) 0.352 10.453 ( 2.245 0.000 2.559) 3.404 10.481 ( 5.771 0.000 1.974) 6.099 10.521 ( 4.426 0.000 -3.636) 5.728 10.532 ( -3.056 0.000 -3.283) 4.485 10.562 ( 1.279 0.000 -3.633) 3.852 10.674 ( 5.964 0.000 -0.151) 5.966 10.815 ( -0.772 0.000 -2.316) 2.441 10.890 ( -8.778 0.000 -3.118) 9.315 10.961 ( -6.578 0.000 5.536) 8.597 11.009 ( 1.336 0.000 6.488) 6.624 11.107 ( 1.454 0.000 7.704) 7.840 11.291 ( -1.215 0.000 1.449) 1.891 11.324 ( 0.361 0.000 2.595) 2.620 11.422 ( 1.379 0.000 -5.325) 5.501 11.606 ( 2.547 0.000 2.861) 3.830 11.631 ( -2.476 0.000 -0.030) 2.476 11.714 ( -1.238 0.000 -2.326) 2.635 11.771 ( -7.361 0.000 -7.140) 10.255 12.020 ( 4.094 0.000 -7.440) 8.492 12.078 ( 4.135 0.000 4.655) 6.226 12.209 ( -2.011 0.000 -6.068) 6.392 12.321 ( -7.562 0.000 2.343) 7.917 12.325 ( -6.521 0.000 7.285) 9.777 12.397 ( -1.612 0.000 5.104) 5.352 12.434 ( -4.339 0.000 -4.874) 6.526 12.563 ( -8.320 0.000 0.342) 8.327 12.858 ( -3.046 0.000 0.555) 3.097 12.865 ( -13.376 0.000 1.536) 13.464 13.004 ( 0.458 0.000 1.441) 1.512 13.016 ( -9.641 0.000 -2.344) 9.922 13.016 ( 3.908 0.000 2.838) 4.829 13.239 ( -5.515 0.000 -7.274) 9.129 13.326 ( -3.780 0.000 -2.290) 4.419 13.498 ( -4.380 0.000 -12.385) 13.137 13.533 ( 1.399 0.000 -0.299) 1.431 13.680 ( -11.234 0.000 -1.168) 11.294 14.074 ( -1.572 0.000 -5.617) 5.833 14.105 ( 3.698 0.000 -0.795) 3.782 14.351 ( -1.531 0.000 7.232) 7.392 14.418 ( -1.718 0.000 3.633) 4.018 14.429 ( -8.594 0.000 -3.909) 9.441 14.686 ( -5.176 0.000 4.615) 6.935 14.872 ( 1.616 0.000 -7.508) 7.680 14.952 ( -5.479 0.000 -0.694) 5.523 15.002 ( 15.859 0.000 3.526) 16.246 15.258 ( 2.607 0.000 3.166) 4.101 15.269 ( 6.652 0.000 2.661) 7.164 15.490 ( 4.103 0.000 -20.438) 20.846 15.555 ( 4.627 0.000 -7.484) 8.799 15.995 ( 9.564 0.000 18.674) 20.981 16.135 ( -3.839 0.000 -5.269) 6.519 16.407 ( -1.951 0.000 4.168) 4.602 16.557 ( 6.189 0.000 -3.438) 7.080 16.680 ( 11.250 0.000 1.531) 11.354 16.740 ( 10.236 0.000 -0.785) 10.266 16.782 ( 2.632 0.000 2.464) 3.605 17.032 ( 2.901 0.000 -0.257) 2.913 20.867 ( -3.487 0.000 -1.051) 3.642 20.962 ( -1.016 0.000 -3.727) 3.863 21.005 ( -4.524 0.000 2.529) 5.182 21.513 ( 6.106 0.000 -2.918) 6.768 21.857 ( -0.822 0.000 7.483) 7.528 21.970 ( -1.225 0.000 -2.384) 2.681 22.042 ( -3.591 0.000 19.468) 19.796 22.425 ( -1.839 0.000 0.802) 2.006 22.455 ( 4.453 0.000 3.483) 5.653 22.562 ( -2.069 0.000 -6.176) 6.513 22.693 ( 1.196 0.000 1.274) 1.748 22.761 ( 2.212 0.000 -0.735) 2.331 23.195 ( -7.286 0.000 -0.179) 7.288 23.300 ( -1.607 0.000 -6.416) 6.614 23.347 ( -9.281 0.000 -9.539) 13.309 23.757 ( -2.565 0.000 -0.131) 2.568 23.945 ( 1.898 0.000 -1.908) 2.691 23.995 ( -6.881 0.000 -3.271) 7.619 24.083 ( 13.244 0.000 -0.308) 13.247 24.422 ( -3.505 0.000 4.187) 5.460 24.733 ( -6.370 0.000 10.330) 12.136 24.829 ( 14.333 0.000 -2.472) 14.545 24.991 ( 8.109 0.000 -1.491) 8.245 25.721 ( 13.984 0.000 -0.151) 13.985 26.821 ( -3.820 0.000 0.728) 3.889 26.847 ( -4.334 0.000 -0.958) 4.439 26.906 ( -5.099 0.000 0.772) 5.157 27.142 ( 0.681 0.000 -2.576) 2.665 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -33.973 0.000 13.145) 36.428 0.919 ( -34.673 0.000 18.603) 39.349 1.538 ( -56.242 0.000 30.222) 63.848 2.411 ( 1.678 0.000 -17.394) 17.475 2.670 ( -9.175 0.000 -0.379) 9.183 2.750 ( 0.069 0.000 2.284) 2.286 2.787 ( -2.026 0.000 1.588) 2.575 3.056 ( 1.705 0.000 -5.909) 6.150 3.133 ( -2.940 0.000 2.490) 3.853 3.176 ( -6.732 0.000 3.399) 7.541 3.254 ( -0.852 0.000 1.154) 1.434 3.369 ( 2.908 0.000 1.986) 3.522 3.393 ( -4.013 0.000 -3.783) 5.515 3.537 ( -5.882 0.000 -0.628) 5.915 3.553 ( -9.939 0.000 1.840) 10.108 3.576 ( -0.576 0.000 -5.236) 5.268 3.673 ( 7.644 0.000 3.425) 8.376 3.773 ( -0.178 0.000 1.908) 1.916 3.804 ( -2.319 0.000 -5.643) 6.101 3.898 ( 2.997 0.000 9.435) 9.900 3.934 ( -4.284 0.000 -4.724) 6.377 3.992 ( -4.244 0.000 -0.950) 4.349 4.071 ( 2.791 0.000 -0.776) 2.897 4.089 ( -6.545 0.000 -2.772) 7.107 4.226 ( -3.977 0.000 0.496) 4.008 4.296 ( 3.014 0.000 -0.364) 3.036 4.377 ( 2.441 0.000 2.145) 3.249 4.608 ( -0.362 0.000 6.052) 6.063 4.619 ( 13.777 0.000 0.814) 13.801 4.683 ( 6.152 0.000 2.394) 6.601 4.684 ( 2.161 0.000 -5.043) 5.487 4.742 ( 9.302 0.000 10.470) 14.005 4.798 ( -5.983 0.000 -10.478) 12.066 5.042 ( -1.877 0.000 -1.875) 2.653 5.126 ( -3.463 0.000 -3.135) 4.671 5.137 ( -3.528 0.000 2.266) 4.193 5.184 ( 2.121 0.000 2.031) 2.937 5.211 ( -8.162 0.000 -2.388) 8.504 5.418 ( 1.245 0.000 8.034) 8.129 5.464 ( -6.875 0.000 -3.482) 7.706 5.514 ( -6.065 0.000 3.587) 7.047 5.525 ( -3.167 0.000 -4.450) 5.462 5.650 ( 4.667 0.000 -3.026) 5.562 5.681 ( -6.517 0.000 -3.541) 7.417 5.875 ( -11.298 0.000 -11.494) 16.117 5.881 ( -2.422 0.000 -6.488) 6.926 5.957 ( -1.524 0.000 -8.007) 8.150 5.971 ( 1.323 0.000 -0.409) 1.385 6.176 ( 10.320 0.000 -0.607) 10.338 6.227 ( 1.175 0.000 -5.156) 5.288 6.433 ( 12.007 0.000 -0.460) 12.016 6.483 ( 8.625 0.000 -2.019) 8.858 6.613 ( 4.720 0.000 9.196) 10.337 6.762 ( 0.522 0.000 -3.556) 3.594 6.783 ( 1.385 0.000 0.270) 1.412 6.951 ( 5.423 0.000 -3.692) 6.560 6.954 ( 2.893 0.000 -1.077) 3.087 7.027 ( -2.334 0.000 0.300) 2.353 7.052 ( -4.483 0.000 -2.380) 5.075 7.094 ( 6.608 0.000 8.580) 10.830 7.271 ( -0.966 0.000 12.982) 13.018 7.299 ( 2.908 0.000 11.630) 11.988 7.332 ( 1.754 0.000 6.876) 7.096 7.458 ( 14.118 0.000 -1.036) 14.156 7.655 ( 2.984 0.000 -4.202) 5.154 7.700 ( 1.144 0.000 -9.911) 9.977 7.758 ( -0.442 0.000 0.542) 0.699 7.784 ( 2.719 0.000 -2.504) 3.696 7.943 ( 10.557 0.000 -0.304) 10.561 7.989 ( -0.073 0.000 -2.123) 2.125 8.057 ( 5.177 0.000 9.938) 11.206 8.156 ( -0.136 0.000 -3.790) 3.792 8.294 ( -0.497 0.000 5.659) 5.681 8.303 ( -3.757 0.000 10.313) 10.976 8.373 ( -5.184 0.000 6.776) 8.532 8.543 ( 5.054 0.000 0.110) 5.055 8.643 ( 2.881 0.000 -0.644) 2.952 8.849 ( -11.189 0.000 5.346) 12.401 8.865 ( 3.554 0.000 3.240) 4.809 8.924 ( -6.411 0.000 2.711) 6.961 9.017 ( -2.866 0.000 -9.920) 10.326 9.017 ( -0.590 0.000 -7.707) 7.730 9.247 ( 0.190 0.000 1.228) 1.242 9.293 ( -3.667 0.000 4.041) 5.457 9.344 ( 8.664 0.000 3.000) 9.169 9.433 ( 1.870 0.000 2.211) 2.896 9.483 ( 4.379 0.000 -6.476) 7.818 9.538 ( 2.874 0.000 7.409) 7.946 9.769 ( 2.540 0.000 4.118) 4.838 9.833 ( -3.144 0.000 -0.435) 3.174 10.030 ( 5.461 0.000 -4.112) 6.836 10.131 ( -1.631 0.000 7.102) 7.287 10.145 ( -1.150 0.000 -1.748) 2.092 10.239 ( -6.870 0.000 2.120) 7.190 10.348 ( -3.030 0.000 2.559) 3.966 10.449 ( -4.216 0.000 2.683) 4.997 10.506 ( 3.928 0.000 -3.133) 5.024 10.559 ( 0.079 0.000 1.732) 1.733 10.604 ( 7.887 0.000 -3.509) 8.632 10.711 ( 5.205 0.000 -9.076) 10.463 10.746 ( 1.452 0.000 -6.170) 6.338 10.804 ( 8.515 0.000 -0.546) 8.532 10.829 ( 4.814 0.000 1.937) 5.189 10.917 ( 0.678 0.000 1.744) 1.871 11.048 ( -2.707 0.000 7.155) 7.650 11.168 ( -0.591 0.000 6.775) 6.801 11.257 ( -0.475 0.000 -0.048) 0.478 11.287 ( -6.977 0.000 6.636) 9.628 11.404 ( -6.642 0.000 -5.146) 8.403 11.558 ( 2.037 0.000 7.232) 7.513 11.638 ( -2.718 0.000 -5.781) 6.388 11.668 ( 2.744 0.000 -1.226) 3.005 11.737 ( 6.681 0.000 -7.768) 10.246 11.928 ( -12.714 0.000 -3.239) 13.120 12.071 ( 6.479 0.000 -9.836) 11.779 12.098 ( -14.380 0.000 -3.071) 14.704 12.200 ( -8.495 0.000 4.589) 9.656 12.322 ( 4.665 0.000 9.328) 10.429 12.341 ( -2.903 0.000 -9.639) 10.066 12.357 ( 0.282 0.000 0.590) 0.654 12.447 ( -4.179 0.000 0.464) 4.205 12.621 ( -10.925 0.000 -0.063) 10.925 12.710 ( -10.420 0.000 -3.495) 10.990 12.852 ( -5.325 0.000 -0.361) 5.338 13.054 ( 4.121 0.000 -4.070) 5.792 13.122 ( -3.735 0.000 3.060) 4.828 13.151 ( -20.820 0.000 -18.010) 27.529 13.169 ( 2.687 0.000 2.638) 3.765 13.275 ( -1.696 0.000 -2.991) 3.438 13.527 ( -1.229 0.000 1.019) 1.596 13.583 ( 0.867 0.000 -0.966) 1.298 14.057 ( 1.233 0.000 -4.654) 4.815 14.205 ( 7.454 0.000 -2.108) 7.746 14.237 ( -4.449 0.000 -6.213) 7.642 14.347 ( -6.874 0.000 3.842) 7.875 14.360 ( -4.320 0.000 -0.590) 4.360 14.640 ( -1.729 0.000 -1.296) 2.161 14.677 ( -16.295 0.000 -20.768) 26.397 14.805 ( -6.199 0.000 0.913) 6.266 15.180 ( -13.585 0.000 -21.574) 25.495 15.302 ( 8.573 0.000 5.619) 10.250 15.320 ( 1.864 0.000 2.270) 2.938 15.425 ( 3.426 0.000 -5.341) 6.345 15.642 ( 6.482 0.000 3.626) 7.427 16.052 ( -0.994 0.000 -3.191) 3.342 16.320 ( 1.954 0.000 5.101) 5.463 16.361 ( 6.776 0.000 9.112) 11.356 16.722 ( 8.176 0.000 3.178) 8.772 16.883 ( 7.509 0.000 0.364) 7.518 16.909 ( 7.045 0.000 -2.494) 7.474 16.911 ( 7.899 0.000 5.511) 9.632 17.082 ( 1.986 0.000 0.402) 2.026 20.795 ( -2.522 0.000 -1.502) 2.935 20.925 ( -0.286 0.000 -2.548) 2.564 20.937 ( -3.403 0.000 1.530) 3.731 21.495 ( -7.497 0.000 -26.387) 27.432 21.870 ( -4.591 0.000 4.895) 6.711 21.930 ( -13.533 0.000 -7.740) 15.590 21.944 ( -0.027 0.000 -2.115) 2.115 22.406 ( -1.122 0.000 1.799) 2.120 22.469 ( -1.196 0.000 -6.867) 6.971 22.551 ( 2.205 0.000 0.954) 2.403 22.716 ( 0.448 0.000 1.326) 1.399 22.788 ( 1.466 0.000 -1.908) 2.407 23.097 ( -4.254 0.000 3.535) 5.531 23.132 ( -5.161 0.000 -1.891) 5.497 23.597 ( 29.986 0.000 42.633) 52.122 23.727 ( -1.111 0.000 2.663) 2.886 23.892 ( -1.607 0.000 -1.613) 2.277 23.974 ( 2.109 0.000 -1.245) 2.449 24.285 ( 7.453 0.000 -1.902) 7.691 24.395 ( 0.478 0.000 6.738) 6.755 24.633 ( -4.920 0.000 2.317) 5.438 25.142 ( 6.826 0.000 -1.435) 6.975 25.170 ( 16.092 0.000 15.356) 22.244 25.951 ( 8.633 0.000 -0.060) 8.633 26.747 ( -3.599 0.000 0.376) 3.619 26.765 ( -3.132 0.000 -0.449) 3.164 26.806 ( -4.755 0.000 0.150) 4.757 27.084 ( -5.284 0.000 -9.702) 11.047 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.956 22.644 21.065) 30.942 1.050 ( 1.923 28.699 23.767) 37.312 1.789 ( 4.183 47.327 37.840) 60.739 2.394 ( 8.397 -4.394 -15.088) 17.817 2.496 ( -3.574 -4.903 -4.672) 7.658 2.532 ( -4.351 -9.063 -7.820) 12.737 2.804 ( -0.647 -4.775 5.478) 7.295 2.995 ( -2.611 -2.751 2.895) 4.772 3.041 ( 3.170 -3.981 -5.034) 7.158 3.085 ( 2.971 -0.464 3.463) 4.587 3.229 ( -1.756 -2.025 0.623) 2.752 3.278 ( -0.645 -7.192 0.227) 7.225 3.431 ( -0.651 0.426 -2.207) 2.340 3.449 ( -1.888 3.019 3.475) 4.975 3.493 ( -1.927 4.508 -3.589) 6.076 3.549 ( 2.387 0.531 -4.519) 5.139 3.698 ( -0.699 -2.504 2.143) 3.369 3.755 ( -1.226 3.578 -1.440) 4.047 3.799 ( 1.379 -8.555 3.658) 9.406 3.866 ( -0.179 4.093 -4.015) 5.736 3.921 ( 1.685 -5.997 1.005) 6.309 4.046 ( 1.320 4.780 5.368) 7.308 4.096 ( -0.544 1.809 -0.231) 1.903 4.193 ( -3.454 2.295 -2.132) 4.663 4.263 ( 3.431 4.072 0.351) 5.336 4.306 ( 2.593 5.511 2.029) 6.420 4.458 ( -2.714 5.772 1.684) 6.597 4.648 ( -2.221 2.165 -0.613) 3.162 4.663 ( -0.461 1.342 -2.517) 2.889 4.717 ( -2.422 -2.664 1.327) 3.837 4.775 ( 0.079 -0.825 -2.567) 2.697 4.838 ( 3.994 -2.324 -0.568) 4.656 4.877 ( 5.104 4.396 -2.748) 7.275 4.962 ( -6.547 4.717 -0.864) 8.115 4.978 ( -7.039 -1.574 -4.834) 8.683 5.111 ( -0.235 1.852 -1.191) 2.214 5.145 ( -2.877 -4.098 6.393) 8.121 5.246 ( -0.475 3.533 -2.810) 4.540 5.250 ( 5.306 -5.595 4.365) 8.861 5.334 ( 1.106 -0.897 -0.840) 1.653 5.418 ( 1.433 -15.265 -0.238) 15.334 5.501 ( 3.370 4.165 0.343) 5.368 5.512 ( -3.528 -0.866 1.918) 4.108 5.567 ( -0.410 1.378 -2.077) 2.526 5.659 ( 1.005 -1.098 -2.351) 2.783 5.834 ( 4.029 1.799 2.491) 5.067 5.905 ( 0.814 -0.701 -5.262) 5.371 6.037 ( 2.880 -0.135 -3.879) 4.833 6.217 ( 0.681 -3.143 0.618) 3.275 6.310 ( -2.866 0.494 -2.486) 3.827 6.422 ( 3.702 -9.703 3.543) 10.972 6.601 ( -4.160 -0.967 -1.583) 4.555 6.665 ( -4.969 -7.616 -4.155) 9.998 6.750 ( 1.629 -1.130 -7.349) 7.612 6.808 ( 0.983 5.027 0.673) 5.166 6.868 ( -0.407 -0.404 1.241) 1.367 6.961 ( 1.138 -2.967 4.886) 5.828 7.034 ( 3.417 -0.806 3.575) 5.011 7.097 ( -3.539 1.243 -2.755) 4.654 7.211 ( -2.801 1.381 3.178) 4.455 7.304 ( -6.277 7.476 7.764) 12.473 7.404 ( 0.198 -1.139 0.280) 1.190 7.447 ( 3.364 -4.022 3.988) 6.588 7.513 ( 0.499 -10.060 -2.018) 10.273 7.624 ( -1.454 3.296 0.826) 3.696 7.733 ( 5.923 3.581 0.129) 6.923 7.811 ( 2.213 -0.017 -5.667) 6.084 7.912 ( -3.176 0.706 -4.638) 5.666 7.945 ( 0.016 7.775 5.157) 9.330 8.069 ( -2.857 -2.882 5.992) 7.236 8.122 ( -1.678 -1.089 5.999) 6.324 8.144 ( -2.097 -0.236 0.204) 2.120 8.230 ( -1.008 3.525 4.783) 6.026 8.312 ( 1.075 -0.642 2.699) 2.975 8.512 ( -3.934 -3.188 5.235) 7.283 8.585 ( 1.222 -5.031 2.067) 5.574 8.654 ( 5.618 5.291 -6.334) 9.984 8.760 ( -7.121 2.381 -3.434) 8.256 8.851 ( -4.276 7.516 -6.701) 10.940 8.911 ( -2.885 -2.767 -5.178) 6.542 9.026 ( 1.970 2.669 -7.170) 7.900 9.135 ( 3.552 4.759 -1.767) 6.196 9.236 ( 5.840 -0.129 -0.408) 5.855 9.372 ( 4.060 -4.747 -1.986) 6.554 9.432 ( 5.018 -8.323 6.650) 11.777 9.562 ( 7.373 1.234 1.018) 7.545 9.591 ( -2.409 4.451 2.458) 5.627 9.692 ( 7.669 -1.757 7.190) 10.658 9.734 ( -6.244 4.541 3.210) 8.362 9.846 ( -8.439 -3.044 -3.145) 9.506 10.003 ( 4.280 8.052 -0.388) 9.128 10.060 ( -4.090 -4.963 -4.041) 7.595 10.102 ( -3.022 -2.360 -1.491) 4.114 10.197 ( -7.080 4.340 -2.515) 8.677 10.317 ( 3.699 1.770 3.448) 5.358 10.415 ( 1.747 1.963 2.977) 3.971 10.501 ( -10.220 2.825 0.513) 10.615 10.528 ( -0.183 1.632 -0.330) 1.675 10.638 ( -2.043 0.671 -4.033) 4.571 10.707 ( -7.410 -3.671 -4.735) 9.529 10.778 ( 1.597 1.939 1.455) 2.903 10.826 ( 0.255 2.799 -4.557) 5.354 10.870 ( 0.484 2.675 -2.624) 3.778 10.990 ( -5.810 -0.046 1.049) 5.904 11.063 ( -4.491 -2.734 -1.169) 5.386 11.107 ( 2.353 1.760 3.414) 4.505 11.205 ( -2.716 -5.840 -1.326) 6.576 11.214 ( -1.858 0.952 3.003) 3.657 11.308 ( 2.322 -3.588 -1.707) 4.602 11.504 ( -1.288 -1.823 2.964) 3.711 11.565 ( -0.917 -2.785 -0.376) 2.956 11.627 ( 5.461 -1.062 2.020) 5.919 11.747 ( 0.379 -1.982 -1.944) 2.802 11.778 ( 5.563 -1.475 -0.903) 5.826 11.848 ( 4.886 -4.188 -3.883) 7.516 11.995 ( -2.482 -1.440 -0.982) 3.033 12.157 ( 8.188 0.563 10.076) 12.996 12.234 ( 7.543 -0.688 -3.451) 8.323 12.309 ( -0.979 1.182 -1.438) 2.103 12.349 ( 0.217 0.650 -0.726) 0.999 12.378 ( -1.670 0.280 -3.825) 4.183 12.507 ( 1.654 1.371 0.895) 2.327 12.614 ( -0.522 2.412 2.640) 3.614 12.752 ( 1.168 -0.191 -0.950) 1.518 12.946 ( -4.374 -0.188 -5.390) 6.944 13.050 ( -1.150 -1.395 -5.494) 5.784 13.077 ( -3.260 -4.913 -5.091) 7.790 13.129 ( -0.037 -2.599 2.763) 3.793 13.317 ( 5.950 5.859 -1.620) 8.506 13.602 ( 5.289 1.743 3.853) 6.772 13.656 ( 2.706 0.854 3.648) 4.621 14.000 ( 1.815 -7.761 2.591) 8.381 14.113 ( -5.565 -0.822 -0.745) 5.674 14.247 ( -3.834 8.983 1.461) 9.876 14.296 ( -2.273 3.234 -4.205) 5.771 14.365 ( 2.690 -3.856 -2.070) 5.137 14.490 ( 6.710 9.078 -9.241) 14.589 14.624 ( 2.348 0.510 -3.264) 4.053 14.729 ( -2.267 0.302 4.287) 4.859 15.016 ( 1.220 -2.966 1.435) 3.514 15.321 ( -3.723 4.035 -4.563) 7.139 15.416 ( -2.329 2.638 -6.910) 7.754 15.517 ( 0.926 6.102 3.439) 7.066 15.774 ( 1.753 -0.681 1.649) 2.501 15.995 ( -0.208 -2.190 7.030) 7.366 16.296 ( 0.978 2.510 -1.144) 2.926 16.471 ( 0.399 -6.895 14.883) 16.408 16.808 ( -0.899 -6.403 1.660) 6.675 16.851 ( 0.752 -1.682 2.671) 3.245 16.980 ( -0.095 -3.132 0.220) 3.141 17.008 ( 0.595 1.583 -3.138) 3.564 17.082 ( -1.003 -1.393 -0.522) 1.794 20.690 ( -5.615 -0.138 1.836) 5.910 20.781 ( 0.755 1.195 -1.538) 2.089 20.897 ( 0.661 -3.055 -0.373) 3.148 20.954 ( -3.299 -0.354 -3.088) 4.533 21.762 ( -2.169 1.592 2.813) 3.893 21.864 ( -1.757 -1.683 5.511) 6.024 22.020 ( 0.771 6.493 0.602) 6.566 22.404 ( 0.743 -2.065 -4.922) 5.389 22.496 ( 1.016 7.232 2.490) 7.716 22.749 ( -0.198 3.396 0.093) 3.403 22.789 ( 0.810 7.160 -3.483) 8.003 22.960 ( -4.594 12.801 -13.417) 19.104 23.026 ( 0.396 -1.494 3.351) 3.691 23.083 ( 0.055 -1.931 0.177) 1.940 23.767 ( 1.480 0.532 4.881) 5.128 23.874 ( 2.094 -2.607 1.929) 3.860 23.988 ( 1.411 -1.468 -1.258) 2.393 24.094 ( -0.121 -1.903 -5.919) 6.219 24.230 ( -2.417 -4.266 -2.773) 5.633 24.452 ( -1.653 -4.825 -8.138) 9.605 24.868 ( 6.846 -1.310 7.762) 10.432 25.039 ( 0.836 -11.933 3.007) 12.334 25.714 ( 2.645 4.941 14.000) 15.080 26.262 ( 4.255 0.787 -9.257) 10.218 26.710 ( -3.471 0.089 0.238) 3.480 26.716 ( 0.202 0.386 -0.031) 0.437 26.733 ( 0.526 -0.342 0.179) 0.653 26.754 ( -0.459 -0.229 -0.633) 0.815 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 19.478 15.806 18.508) 31.173 1.497 ( 22.494 18.796 22.809) 37.142 2.226 ( 2.792 -0.409 -14.962) 15.226 2.473 ( 26.436 26.384 25.796) 45.391 2.563 ( 15.430 -0.689 -17.278) 23.175 2.601 ( 7.588 -5.122 1.261) 9.241 2.839 ( 0.973 -4.965 6.486) 8.225 2.959 ( 0.825 0.793 -0.880) 1.444 3.076 ( -0.372 2.331 1.729) 2.926 3.170 ( -2.951 -5.036 -0.085) 5.838 3.220 ( 6.726 -7.539 0.929) 10.145 3.269 ( -2.459 -4.505 -0.660) 5.175 3.392 ( -0.403 -1.634 -4.895) 5.176 3.437 ( 0.624 2.743 0.290) 2.828 3.464 ( -2.163 -0.356 5.857) 6.254 3.556 ( 0.263 -0.808 -5.870) 5.931 3.713 ( -4.820 3.764 -0.376) 6.127 3.747 ( 0.780 6.224 -0.017) 6.273 3.826 ( 2.540 -6.956 1.131) 7.491 3.853 ( 4.629 -4.435 1.702) 6.633 3.959 ( -1.845 -1.515 -5.151) 5.678 4.047 ( 4.561 -6.055 0.425) 7.593 4.133 ( 3.255 1.831 4.073) 5.526 4.230 ( 2.935 6.565 4.366) 8.413 4.255 ( -8.202 -3.045 -2.264) 9.037 4.386 ( -0.959 7.509 -0.707) 7.603 4.410 ( 6.839 6.909 4.536) 10.728 4.528 ( -6.296 4.675 -0.334) 7.849 4.584 ( -4.251 2.681 -6.005) 7.831 4.646 ( -4.908 1.062 0.658) 5.065 4.706 ( -4.976 -3.494 -1.988) 6.397 4.791 ( -0.644 2.160 0.818) 2.398 4.840 ( 0.901 8.314 -2.954) 8.869 4.944 ( -0.712 4.150 -2.662) 4.981 5.087 ( 1.532 -3.415 1.112) 3.905 5.097 ( 5.400 1.959 -3.785) 6.879 5.144 ( 1.138 1.551 1.512) 2.447 5.272 ( 0.513 0.701 -1.156) 1.446 5.335 ( 6.843 4.414 1.489) 8.278 5.376 ( 6.953 -1.830 -1.128) 7.277 5.466 ( 0.034 -0.322 2.523) 2.543 5.544 ( 4.853 2.389 -0.770) 5.464 5.604 ( 4.537 -8.513 -0.245) 9.650 5.693 ( 4.852 -10.050 -4.612) 12.076 5.801 ( 17.258 -9.337 -5.011) 20.252 5.862 ( 4.654 -1.502 -7.113) 8.632 5.972 ( 0.550 4.745 3.594) 5.978 6.059 ( -1.042 -1.034 -1.549) 2.134 6.115 ( -8.883 -0.655 -1.753) 9.078 6.258 ( 3.565 -2.222 2.251) 4.766 6.358 ( -8.365 -7.306 1.682) 11.233 6.536 ( -8.270 -7.626 1.901) 11.409 6.589 ( 0.692 -1.135 3.940) 4.159 6.707 ( 0.220 -1.164 -8.327) 8.411 6.821 ( -1.603 0.308 -2.619) 3.086 6.845 ( -5.128 -0.251 0.441) 5.153 6.880 ( -2.965 5.307 -5.931) 8.493 6.952 ( -7.398 -1.508 2.026) 7.817 7.055 ( -6.389 3.495 0.952) 7.345 7.087 ( -3.054 -4.894 -1.314) 5.917 7.262 ( -6.449 -2.230 -0.419) 6.836 7.382 ( -2.868 0.314 6.722) 7.315 7.433 ( -3.589 2.426 -0.139) 4.334 7.515 ( -3.446 -0.918 5.985) 6.967 7.586 ( -6.924 5.513 2.676) 9.246 7.714 ( -6.870 5.320 -1.468) 8.812 7.816 ( 4.586 0.178 -3.421) 5.724 7.886 ( 0.835 0.257 -0.549) 1.032 7.946 ( -1.444 2.566 -3.054) 4.242 8.005 ( -3.956 -3.931 2.697) 6.195 8.099 ( -1.998 2.557 4.799) 5.794 8.122 ( -2.365 -0.095 3.696) 4.389 8.237 ( -7.660 2.528 0.863) 8.112 8.331 ( 4.792 7.456 6.408) 10.937 8.489 ( -10.937 1.097 2.404) 11.252 8.497 ( -1.839 -0.909 6.589) 6.900 8.642 ( -2.485 -0.650 1.656) 3.056 8.754 ( -4.515 -1.129 -0.195) 4.658 8.766 ( 8.909 1.725 -4.856) 10.292 8.894 ( 4.275 -1.866 -4.249) 6.310 8.997 ( -0.675 4.639 -8.705) 9.887 9.027 ( -8.697 4.288 3.954) 10.472 9.218 ( -5.060 -4.477 2.621) 7.247 9.460 ( -3.251 -3.683 2.033) 5.317 9.475 ( 3.935 -0.438 -3.000) 4.968 9.532 ( -2.213 -4.629 2.060) 5.529 9.565 ( 0.750 3.118 4.317) 5.378 9.686 ( 4.678 3.218 0.136) 5.679 9.837 ( 1.541 0.792 5.536) 5.801 9.858 ( -3.733 1.019 0.568) 3.911 9.960 ( 1.637 0.050 3.423) 3.795 10.067 ( 4.262 1.136 -2.954) 5.309 10.097 ( -2.154 1.201 -1.064) 2.686 10.228 ( 7.534 -2.073 -3.844) 8.708 10.350 ( -7.100 -2.898 -4.014) 8.656 10.374 ( -1.725 1.430 4.439) 4.973 10.471 ( 2.121 0.090 3.536) 4.125 10.523 ( 1.292 0.354 -0.808) 1.565 10.533 ( -2.640 -0.303 -2.058) 3.361 10.629 ( -4.919 5.847 -6.327) 9.921 10.736 ( 3.374 0.216 -0.039) 3.381 10.798 ( -0.850 -0.192 0.770) 1.163 10.827 ( -2.939 3.584 1.001) 4.742 10.961 ( -3.284 2.800 2.819) 5.155 11.053 ( 3.766 2.265 -4.767) 6.484 11.095 ( -3.443 -3.574 0.034) 4.963 11.200 ( 2.142 3.115 2.277) 4.413 11.231 ( -0.937 -6.905 3.050) 7.607 11.327 ( 5.762 0.670 -1.244) 5.932 11.425 ( -2.441 -9.422 -3.559) 10.363 11.551 ( -0.464 -1.982 0.477) 2.091 11.741 ( 6.011 -0.942 0.932) 6.155 11.820 ( 2.671 -0.903 -5.506) 6.186 11.919 ( 2.044 -6.727 0.667) 7.062 11.934 ( 7.577 0.851 -1.011) 7.691 12.127 ( 3.325 -0.077 -2.927) 4.430 12.194 ( 4.387 6.324 -5.063) 9.213 12.325 ( 4.934 1.513 1.038) 5.264 12.399 ( 1.209 3.352 3.023) 4.673 12.424 ( 6.883 -1.608 -0.812) 7.114 12.525 ( 7.769 -1.938 -3.633) 8.792 12.577 ( 9.937 -3.977 2.704) 11.039 12.683 ( 8.213 5.642 0.856) 10.001 12.826 ( 3.833 -2.471 -2.976) 5.445 12.852 ( 0.314 -3.134 -0.537) 3.196 12.945 ( -2.583 -3.966 -4.962) 6.858 13.099 ( 8.494 -6.987 -0.726) 11.023 13.234 ( 5.957 -8.280 -0.174) 10.202 13.456 ( 8.880 6.302 -0.887) 10.925 13.674 ( 3.712 -3.454 -2.577) 5.688 13.803 ( 2.177 -1.762 8.526) 8.975 13.935 ( -0.711 -1.110 -5.355) 5.515 14.117 ( 0.694 2.628 5.886) 6.483 14.173 ( -5.466 5.050 -3.860) 8.384 14.238 ( 2.664 6.672 -8.437) 11.082 14.400 ( 2.739 4.374 -0.310) 5.170 14.619 ( 7.242 -4.178 -1.265) 8.456 14.729 ( 7.970 0.282 -5.478) 9.675 14.806 ( 6.264 -2.624 3.813) 7.789 15.035 ( -0.065 -5.470 -3.731) 6.622 15.240 ( -2.970 2.356 1.311) 4.011 15.309 ( -2.784 4.173 -6.145) 7.933 15.491 ( -4.997 6.837 2.191) 8.748 15.761 ( -3.744 -1.278 -1.505) 4.233 16.015 ( -2.120 -2.491 4.992) 5.968 16.300 ( 0.773 6.238 -2.714) 6.846 16.478 ( -7.110 -2.259 11.845) 13.998 16.734 ( -7.323 -7.599 -0.609) 10.571 16.820 ( -5.574 -1.473 4.161) 7.110 16.914 ( -7.152 0.653 -2.247) 7.525 16.932 ( -5.410 -1.921 1.740) 5.999 17.022 ( -3.154 -2.636 -1.900) 4.528 20.720 ( 6.524 1.110 -1.807) 6.860 20.822 ( 3.838 0.360 -0.447) 3.881 20.899 ( 1.227 -1.467 -2.039) 2.795 20.970 ( 4.048 -2.643 -0.272) 4.842 21.755 ( -0.578 1.532 2.650) 3.115 21.875 ( -0.729 -2.057 5.602) 6.012 22.055 ( 2.177 7.084 1.601) 7.582 22.396 ( 1.133 -0.066 -5.423) 5.541 22.526 ( 0.066 10.779 1.633) 10.902 22.726 ( -1.911 8.541 -4.159) 9.690 22.746 ( -0.655 7.123 -0.771) 7.195 22.859 ( -0.961 5.024 -3.375) 6.128 23.062 ( 2.167 -1.231 1.390) 2.853 23.156 ( 6.072 -5.330 2.271) 8.393 23.842 ( 1.733 -0.830 6.071) 6.368 23.927 ( 0.338 -6.509 2.246) 6.893 23.978 ( -2.073 -1.256 -3.623) 4.359 24.017 ( -2.368 0.097 1.109) 2.616 24.149 ( -3.769 -4.687 -3.319) 6.869 24.339 ( -2.389 -5.337 -10.765) 12.250 24.844 ( -10.228 0.234 9.258) 13.798 24.966 ( -6.465 -7.715 1.125) 10.129 25.662 ( -13.923 7.001 12.400) 19.915 25.978 ( -17.152 4.566 -4.007) 18.196 26.749 ( 2.917 0.236 0.245) 2.937 26.777 ( 3.945 -0.406 0.176) 3.970 26.801 ( 5.097 -0.686 0.356) 5.156 26.894 ( 10.953 -4.214 -5.435) 12.933 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 25.926 11.219 12.127) 30.742 2.115 ( 25.602 10.638 15.226) 31.630 2.247 ( 11.768 3.385 -7.612) 14.418 2.702 ( 11.641 4.683 -17.907) 21.866 2.758 ( 8.189 -6.205 0.800) 10.306 2.882 ( 3.101 -6.548 -0.187) 7.247 2.997 ( 0.265 -1.475 -2.187) 2.652 3.053 ( -4.318 -5.119 5.774) 8.843 3.066 ( 2.524 0.492 -0.410) 2.604 3.159 ( 6.440 7.023 2.336) 9.811 3.184 ( -1.605 0.990 -0.620) 1.985 3.336 ( 1.093 -12.884 0.539) 12.942 3.351 ( -3.870 -1.852 -0.101) 4.291 3.381 ( -2.191 -2.823 6.998) 7.857 3.494 ( -2.370 -2.490 -0.585) 3.487 3.555 ( 1.597 -5.577 1.722) 6.052 3.599 ( -4.218 1.505 1.292) 4.661 3.721 ( -0.103 3.601 -5.342) 6.443 3.843 ( -9.034 -1.825 -0.212) 9.219 3.914 ( 4.366 -3.540 -3.018) 6.380 4.063 ( -2.198 3.666 -1.722) 4.609 4.076 ( 5.066 1.286 12.278) 13.344 4.107 ( 10.308 -0.729 -2.049) 10.535 4.246 ( 5.114 1.258 1.412) 5.452 4.294 ( 4.176 5.303 4.865) 8.320 4.363 ( -0.768 7.697 -4.003) 8.710 4.461 ( -3.408 1.707 -3.193) 4.973 4.517 ( -0.418 6.787 2.657) 7.300 4.553 ( -1.047 1.111 -1.052) 1.854 4.670 ( 2.893 5.624 7.077) 9.491 4.705 ( 11.485 4.822 7.217) 14.396 4.799 ( 4.048 5.221 -3.254) 7.365 4.851 ( -4.731 3.738 -1.303) 6.168 4.960 ( 12.027 5.026 -2.399) 13.254 5.069 ( -1.501 -0.367 -0.034) 1.545 5.118 ( 5.341 4.087 -5.108) 8.445 5.219 ( 1.453 1.523 3.495) 4.080 5.327 ( -0.598 -3.466 -0.093) 3.518 5.402 ( -3.801 -3.344 -3.089) 5.930 5.445 ( 2.093 1.940 1.840) 3.396 5.595 ( 8.119 -0.734 0.232) 8.155 5.619 ( -0.032 3.623 -0.794) 3.710 5.644 ( 1.216 -5.703 -5.084) 7.736 5.766 ( 7.260 -7.917 2.496) 11.028 5.890 ( -4.850 2.811 0.340) 5.616 5.925 ( 3.900 -2.323 -0.463) 4.563 5.967 ( 3.216 -5.371 -6.729) 9.191 6.025 ( -4.140 -0.730 2.909) 5.112 6.050 ( 5.584 1.668 -4.701) 7.488 6.277 ( -4.671 -4.010 1.170) 6.266 6.311 ( 1.937 -4.498 -7.415) 8.886 6.459 ( -7.981 1.380 -8.191) 11.519 6.547 ( 4.021 -0.710 4.705) 6.230 6.612 ( -8.620 1.355 -7.750) 11.670 6.683 ( -3.239 6.633 1.988) 7.644 6.766 ( 0.420 -1.700 -3.038) 3.507 6.788 ( -4.646 -0.795 -3.989) 6.175 6.899 ( -0.357 2.692 1.107) 2.932 6.984 ( -2.646 3.155 1.832) 4.506 7.039 ( -2.799 -3.618 3.081) 5.515 7.161 ( -2.082 -3.471 2.570) 4.794 7.349 ( -4.252 -0.857 4.728) 6.417 7.363 ( -4.894 3.311 1.645) 6.134 7.390 ( -8.640 1.350 0.217) 8.748 7.466 ( -6.141 2.318 4.387) 7.895 7.554 ( -8.386 4.809 -0.695) 9.692 7.768 ( -8.526 -2.826 -1.359) 9.085 7.821 ( -7.113 2.654 0.905) 7.646 7.911 ( -5.287 -0.265 0.943) 5.377 7.971 ( 1.652 -8.391 -3.153) 9.115 8.009 ( -2.071 2.162 1.639) 3.413 8.128 ( -1.641 0.469 1.325) 2.160 8.235 ( 3.727 -2.619 2.988) 5.448 8.373 ( -1.455 -0.033 4.720) 4.939 8.453 ( 1.700 5.968 -4.239) 7.515 8.493 ( -2.826 1.934 9.698) 10.285 8.601 ( -0.308 0.006 4.540) 4.551 8.678 ( -2.316 -5.026 5.300) 7.662 8.889 ( -2.919 4.932 -3.478) 6.704 8.912 ( 7.378 0.033 -5.266) 9.065 8.953 ( -3.295 1.314 0.255) 3.557 9.004 ( 5.668 -1.111 -1.290) 5.918 9.124 ( -5.257 -2.884 3.151) 6.774 9.368 ( -4.848 -1.713 1.316) 5.307 9.458 ( -4.943 -5.002 0.790) 7.077 9.497 ( -1.695 -5.269 -1.051) 5.634 9.585 ( -1.800 4.594 -0.991) 5.032 9.747 ( -3.397 0.212 1.914) 3.905 9.839 ( 3.411 0.959 -0.262) 3.553 9.875 ( -0.901 4.873 2.520) 5.560 9.923 ( -3.372 2.303 4.654) 6.191 10.053 ( 1.312 5.228 -6.699) 8.599 10.150 ( -2.917 -0.968 -2.856) 4.196 10.259 ( 8.386 -1.354 -1.177) 8.576 10.304 ( -6.330 -0.899 -0.122) 6.395 10.343 ( 3.052 -2.228 -2.278) 4.412 10.452 ( 2.287 1.623 -5.743) 6.391 10.522 ( -0.065 2.771 0.725) 2.865 10.584 ( 2.237 3.149 6.596) 7.644 10.651 ( 4.233 -0.384 1.642) 4.556 10.688 ( -6.417 -2.535 -0.838) 6.950 10.756 ( 0.356 -2.669 -1.738) 3.205 10.895 ( -1.816 -2.637 3.498) 4.742 10.961 ( 4.225 0.471 7.386) 8.522 11.016 ( 0.725 1.170 -1.425) 1.981 11.106 ( -0.420 6.356 0.238) 6.374 11.219 ( 1.113 -5.806 0.100) 5.913 11.279 ( 3.850 1.286 2.042) 4.544 11.377 ( -1.023 -6.458 -3.637) 7.482 11.478 ( 6.306 -0.317 -2.045) 6.637 11.506 ( -2.795 -1.775 -2.236) 3.996 11.795 ( 0.971 -4.673 -5.797) 7.509 11.877 ( 2.563 -1.966 -1.711) 3.656 11.942 ( 3.490 2.434 5.163) 6.691 12.017 ( 1.363 1.030 -1.781) 2.468 12.099 ( 3.120 -1.846 -5.748) 6.796 12.271 ( 2.217 2.538 -4.262) 5.433 12.346 ( -2.656 3.717 4.804) 6.629 12.473 ( 2.194 0.041 0.749) 2.318 12.573 ( 3.204 -1.550 2.018) 4.091 12.648 ( 6.156 3.338 4.457) 8.301 12.791 ( 6.459 0.515 -0.436) 6.494 12.842 ( 8.061 -4.574 -1.448) 9.381 12.852 ( 8.038 -1.523 -0.107) 8.182 12.916 ( 4.226 -4.101 -2.614) 6.443 13.054 ( 13.874 2.654 -2.414) 14.331 13.254 ( -1.093 -8.601 -6.718) 10.968 13.326 ( 11.292 -4.417 -0.182) 12.127 13.655 ( 8.697 0.722 -1.363) 8.833 13.708 ( 2.318 -2.315 3.217) 4.591 13.827 ( 5.641 -4.538 -0.255) 7.244 13.996 ( -6.793 5.941 -7.685) 11.853 14.051 ( 6.357 7.469 2.415) 10.101 14.170 ( 3.243 1.241 1.323) 3.716 14.291 ( 6.281 2.830 -6.547) 9.505 14.444 ( 1.174 5.285 -1.953) 5.755 14.721 ( 0.471 -5.789 6.552) 8.756 14.808 ( -1.987 -2.878 2.207) 4.135 14.895 ( 3.082 -2.054 -3.181) 4.883 14.991 ( 0.389 -6.829 -3.287) 7.589 15.173 ( -3.671 0.266 3.633) 5.172 15.292 ( 1.439 4.064 -1.389) 4.530 15.412 ( -1.740 8.049 -0.557) 8.254 15.589 ( -11.101 1.300 -5.819) 12.601 15.959 ( -5.257 0.478 0.878) 5.351 16.301 ( 0.064 3.548 -0.289) 3.560 16.410 ( -6.397 -0.346 9.557) 11.505 16.541 ( -9.295 -4.656 -2.748) 10.753 16.690 ( -8.282 -0.625 0.819) 8.346 16.746 ( -7.634 1.181 -2.134) 8.014 16.838 ( -5.540 -4.401 4.741) 8.517 16.954 ( -2.255 -3.579 -2.482) 4.905 20.851 ( 7.745 -1.071 -3.357) 8.509 20.893 ( 2.732 -0.525 -0.372) 2.807 20.944 ( 4.201 -2.261 -0.676) 4.819 21.063 ( 4.820 -4.456 0.785) 6.611 21.770 ( 0.112 1.642 3.121) 3.528 21.904 ( -0.554 -2.087 6.661) 7.002 22.128 ( 3.971 8.134 2.630) 9.426 22.340 ( -3.008 5.078 -6.669) 8.906 22.524 ( -0.439 8.917 1.132) 8.999 22.708 ( 1.369 7.801 -2.010) 8.171 22.732 ( -0.884 5.986 0.879) 6.114 22.823 ( -1.517 3.022 -0.662) 3.446 23.158 ( 7.386 -3.932 -0.037) 8.368 23.321 ( 8.674 -5.860 2.409) 10.742 23.835 ( -6.226 -8.600 -0.399) 10.624 23.854 ( -6.663 -8.669 -2.278) 11.168 23.920 ( -2.721 1.463 -0.584) 3.144 23.983 ( -2.231 -5.381 0.800) 5.880 24.093 ( 0.296 3.505 -1.662) 3.890 24.281 ( 3.436 -1.062 -7.781) 8.572 24.696 ( -9.688 3.044 9.012) 13.577 24.890 ( -0.954 -3.621 1.676) 4.103 25.419 ( -16.976 7.492 10.002) 21.080 25.614 ( -16.362 2.010 -6.717) 17.800 26.817 ( 3.501 0.314 0.182) 3.520 26.866 ( 4.492 -0.647 0.096) 4.539 26.908 ( 4.523 -0.636 1.255) 4.736 27.016 ( 5.191 -3.417 -3.780) 7.274 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 23.226 7.839 8.064) 25.806 2.493 ( 18.882 6.637 -2.642) 20.188 2.676 ( -6.519 0.748 0.585) 6.588 2.740 ( 7.888 1.131 8.218) 11.447 2.800 ( -1.174 -2.757 -4.006) 5.003 2.850 ( 3.338 -1.234 1.054) 3.711 2.943 ( -1.301 -3.145 1.342) 3.658 2.992 ( -15.878 -3.711 -0.693) 16.320 3.082 ( 1.212 -4.488 -1.865) 5.010 3.146 ( 8.608 -2.118 -1.391) 8.973 3.233 ( 1.050 -5.081 2.646) 5.824 3.296 ( -4.062 -0.517 0.479) 4.123 3.335 ( -3.754 1.891 -3.308) 5.349 3.363 ( 2.962 -2.961 4.168) 5.909 3.373 ( -4.327 -4.622 0.884) 6.393 3.534 ( -3.586 -2.504 0.543) 4.407 3.573 ( 0.895 -10.041 2.661) 10.426 3.718 ( 0.077 0.622 5.873) 5.906 3.801 ( 7.629 -1.387 2.517) 8.152 3.907 ( 0.175 -1.993 -7.142) 7.417 3.973 ( -5.424 3.912 0.388) 6.699 4.138 ( -2.057 -2.134 -6.169) 6.844 4.244 ( -5.925 7.324 -0.193) 9.423 4.335 ( 3.291 1.374 -4.019) 5.373 4.366 ( 6.293 3.153 -1.653) 7.230 4.450 ( -0.368 5.078 -0.594) 5.126 4.481 ( -0.369 3.717 2.290) 4.381 4.559 ( 6.490 4.362 2.909) 8.343 4.609 ( 2.720 4.045 4.813) 6.850 4.697 ( 4.602 9.351 2.202) 10.652 4.814 ( 0.229 3.706 2.344) 4.391 4.880 ( -2.852 2.201 -0.359) 3.621 4.950 ( 5.213 -1.100 4.134) 6.744 5.081 ( -1.028 3.577 1.294) 3.940 5.146 ( 2.613 2.569 3.547) 5.100 5.196 ( 1.852 0.856 1.423) 2.488 5.225 ( -1.975 0.879 2.405) 3.234 5.336 ( 9.567 1.525 -0.338) 9.693 5.374 ( -9.806 2.239 -3.659) 10.703 5.462 ( 8.913 -0.159 -7.403) 11.588 5.500 ( -1.647 8.165 -1.341) 8.436 5.510 ( -2.487 -1.500 3.336) 4.423 5.738 ( 2.328 1.829 0.404) 2.988 5.838 ( -6.761 -0.911 1.250) 6.936 5.896 ( 2.233 -3.695 -1.301) 4.509 5.923 ( -1.528 -9.123 -4.322) 10.210 6.014 ( 4.952 2.536 -0.670) 5.604 6.058 ( 5.041 1.006 1.740) 5.427 6.099 ( 5.849 3.611 -4.194) 8.053 6.184 ( 0.053 -3.318 -1.393) 3.599 6.280 ( -3.220 -1.645 -0.111) 3.617 6.348 ( 1.145 2.835 -8.878) 9.390 6.478 ( 0.976 1.637 -5.132) 5.474 6.588 ( -2.271 1.210 -0.922) 2.734 6.670 ( 3.843 3.741 1.648) 5.610 6.715 ( -1.529 4.752 -5.542) 7.459 6.727 ( -4.006 -0.634 -3.394) 5.289 6.870 ( -5.117 -0.624 5.112) 7.259 6.977 ( -1.694 -0.503 0.217) 1.780 6.988 ( -1.665 3.120 -0.016) 3.537 7.174 ( -2.734 -1.346 4.651) 5.561 7.240 ( -4.077 -0.862 0.882) 4.260 7.296 ( -1.828 -4.220 1.535) 4.849 7.344 ( -0.219 -0.513 0.561) 0.791 7.399 ( 0.641 1.956 -2.394) 3.157 7.469 ( 3.007 1.319 2.847) 4.346 7.561 ( -10.064 -0.229 -3.030) 10.513 7.725 ( -6.514 -5.172 1.662) 8.482 7.735 ( -5.419 -0.400 3.693) 6.570 7.974 ( -3.972 0.856 -0.368) 4.080 8.023 ( 1.781 -2.654 0.935) 3.330 8.134 ( 1.771 -2.993 1.622) 3.837 8.266 ( 0.282 -2.742 0.254) 2.768 8.435 ( 1.805 4.620 -5.459) 7.376 8.483 ( 2.731 -0.823 8.079) 8.568 8.525 ( -0.447 -3.332 5.822) 6.723 8.566 ( -2.301 -2.636 6.250) 7.162 8.716 ( -2.534 -0.439 1.087) 2.792 8.850 ( 1.975 2.083 1.843) 3.411 8.906 ( -2.030 -0.882 0.452) 2.259 8.992 ( 4.495 -0.678 -4.796) 6.608 9.072 ( 1.936 -1.612 -1.257) 2.815 9.088 ( -0.558 0.343 4.402) 4.450 9.308 ( -1.878 -0.427 -0.085) 1.927 9.367 ( -3.904 -2.304 2.750) 5.302 9.455 ( -1.592 -0.599 -0.185) 1.711 9.517 ( -3.670 1.655 -0.259) 4.034 9.649 ( -6.111 -1.986 2.916) 7.057 9.833 ( -1.824 0.479 0.706) 2.014 9.872 ( 0.087 6.310 -0.709) 6.350 9.948 ( -0.961 5.090 0.951) 5.266 10.060 ( 4.022 2.076 -5.096) 6.816 10.120 ( 4.334 -0.217 -5.194) 6.769 10.219 ( -0.696 -3.446 -1.023) 3.662 10.346 ( -0.686 -0.133 -3.694) 3.760 10.392 ( 3.239 2.324 -1.236) 4.174 10.468 ( -1.749 0.990 -1.440) 2.472 10.504 ( -0.336 4.015 -0.390) 4.048 10.588 ( -0.977 -1.873 -0.317) 2.136 10.659 ( 0.607 0.123 -3.383) 3.439 10.709 ( 3.598 2.176 6.787) 7.984 10.782 ( -1.074 -3.378 2.828) 4.534 10.868 ( -4.271 -5.148 6.280) 9.175 10.983 ( -0.909 -2.235 4.678) 5.264 11.092 ( -0.937 4.641 0.610) 4.774 11.157 ( 5.890 0.975 3.508) 6.925 11.261 ( 1.382 -2.310 2.553) 3.710 11.278 ( -3.958 -4.193 -2.305) 6.210 11.404 ( 4.563 2.903 -0.567) 5.438 11.440 ( 4.077 -2.030 -4.788) 6.608 11.554 ( 0.095 -1.061 -3.468) 3.628 11.769 ( 2.566 -1.365 -6.904) 7.491 11.885 ( 0.526 -2.697 -3.156) 4.185 11.964 ( -2.749 2.676 -0.616) 3.886 12.096 ( 0.949 -7.058 6.414) 9.584 12.162 ( 5.739 0.554 0.571) 5.794 12.265 ( -2.213 -3.778 0.702) 4.434 12.327 ( 1.042 5.953 -2.519) 6.548 12.502 ( 0.500 -3.842 2.583) 4.656 12.560 ( -3.790 -3.405 2.016) 5.479 12.754 ( 0.613 7.193 2.811) 7.748 12.868 ( 1.593 -4.313 -5.099) 6.866 12.887 ( 3.383 -4.360 -1.035) 5.614 12.975 ( 4.007 -1.117 -0.090) 4.160 13.087 ( -2.526 -1.681 -3.281) 4.469 13.151 ( 8.658 -1.266 1.378) 8.858 13.299 ( 6.326 2.829 -4.054) 8.028 13.490 ( 6.286 0.777 -5.397) 8.321 13.685 ( 1.102 3.214 -6.650) 7.467 13.796 ( -3.931 8.032 -8.573) 12.388 13.892 ( 6.471 -1.205 6.127) 8.993 14.053 ( 9.227 -0.622 1.688) 9.401 14.192 ( 7.170 0.051 5.756) 9.195 14.221 ( 0.596 -1.464 -0.602) 1.692 14.372 ( 3.496 -3.231 -2.624) 5.436 14.455 ( 4.841 2.815 -0.989) 5.687 14.540 ( -16.688 -0.689 2.352) 16.867 14.757 ( -3.425 -4.462 1.990) 5.967 14.982 ( -1.110 -5.610 2.432) 6.214 15.034 ( 6.930 -0.484 3.924) 7.978 15.165 ( -2.895 3.358 1.543) 4.694 15.303 ( -7.386 3.744 -5.586) 9.989 15.325 ( 3.200 4.835 -3.081) 6.566 15.421 ( 1.131 0.608 -1.463) 1.946 15.861 ( -4.267 3.569 1.086) 5.668 16.261 ( -2.890 1.894 -0.970) 3.589 16.355 ( -4.074 -1.716 5.697) 7.211 16.419 ( -1.622 -4.702 -1.370) 5.159 16.564 ( -3.627 0.066 -0.570) 3.672 16.614 ( -3.641 0.864 -3.851) 5.370 16.781 ( -3.451 -3.445 4.529) 6.655 16.915 ( 0.140 -3.326 -1.858) 3.812 20.926 ( 1.230 -0.686 -1.092) 1.783 20.954 ( 4.648 -1.046 -4.088) 6.277 21.018 ( 1.552 -3.485 3.274) 5.027 21.159 ( 4.249 -7.337 1.366) 8.588 21.799 ( 0.382 1.804 4.261) 4.643 21.933 ( -1.705 -1.787 8.774) 9.115 22.217 ( -3.709 8.582 -4.555) 10.400 22.251 ( 5.229 5.442 2.601) 7.983 22.524 ( -0.336 6.362 0.605) 6.400 22.703 ( -0.436 5.430 -2.842) 6.145 22.741 ( 0.433 8.490 2.527) 8.869 22.804 ( 0.088 5.385 1.036) 5.485 23.324 ( 8.820 -7.219 -3.055) 11.800 23.475 ( 2.466 -3.473 -1.733) 4.599 23.614 ( -8.455 -9.789 -6.421) 14.442 23.736 ( -5.052 -9.624 5.893) 12.365 23.876 ( -0.625 0.061 -2.462) 2.541 23.963 ( -0.019 -6.986 0.466) 7.001 24.055 ( -2.112 6.821 -6.987) 9.990 24.347 ( 6.260 -0.171 -6.461) 8.998 24.604 ( -5.341 7.260 8.602) 12.459 24.944 ( 2.422 -0.445 3.232) 4.063 25.153 ( -15.199 4.790 5.460) 16.845 25.327 ( -4.559 -0.681 -5.915) 7.499 26.871 ( 1.532 0.319 0.289) 1.591 26.930 ( 1.731 -0.941 -0.522) 2.039 26.975 ( 1.341 -0.370 1.268) 1.882 27.069 ( 2.418 -2.469 -1.753) 3.875 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -28.457 6.971 3.283) 29.482 2.378 ( -30.934 2.839 -1.823) 31.117 2.678 ( -3.616 -0.072 6.201) 7.179 2.760 ( -3.745 -1.670 -4.068) 5.776 2.816 ( 5.348 3.791 2.867) 7.155 2.867 ( 2.238 -3.934 -0.360) 4.540 2.935 ( 10.773 1.083 3.418) 11.354 3.063 ( -4.203 -4.216 -0.559) 5.979 3.128 ( 3.237 -1.424 3.050) 4.670 3.177 ( 0.393 -1.574 -2.762) 3.203 3.229 ( -0.998 -1.112 1.886) 2.406 3.334 ( 4.381 -11.669 5.694) 13.703 3.361 ( 8.741 -8.614 1.844) 12.410 3.386 ( -2.736 3.637 -0.483) 4.577 3.507 ( 10.750 -0.760 2.100) 10.979 3.549 ( -3.743 -4.619 0.787) 5.997 3.660 ( 10.297 1.255 6.636) 12.315 3.755 ( -0.314 1.454 1.326) 1.993 3.824 ( -2.667 2.416 -0.445) 3.626 3.889 ( 0.197 -6.548 -5.822) 8.765 3.979 ( -5.620 -1.203 -6.721) 8.843 4.037 ( 6.262 0.496 5.072) 8.073 4.233 ( 2.141 1.779 0.624) 2.852 4.267 ( -7.001 -1.236 -4.894) 8.631 4.292 ( -8.786 2.082 -5.680) 10.667 4.395 ( -16.021 8.460 1.839) 18.210 4.464 ( -0.472 4.325 -1.952) 4.769 4.513 ( -2.633 10.261 0.251) 10.597 4.597 ( -2.012 5.728 1.836) 6.343 4.679 ( -5.916 5.513 3.349) 8.752 4.738 ( -4.271 -0.006 0.801) 4.345 4.820 ( -11.401 6.692 -5.689) 14.392 4.930 ( 5.261 1.462 5.059) 7.444 5.060 ( -0.047 4.839 -0.789) 4.904 5.127 ( 2.636 3.767 3.171) 5.585 5.215 ( 1.017 0.769 4.040) 4.236 5.288 ( 1.290 0.421 5.903) 6.057 5.387 ( 2.340 7.124 2.944) 8.056 5.454 ( 3.200 -1.658 -2.609) 4.449 5.490 ( 4.909 -3.472 1.716) 6.253 5.593 ( 3.761 0.880 -8.152) 9.021 5.654 ( 6.124 0.453 2.426) 6.602 5.691 ( -14.087 -5.876 -2.507) 15.468 5.766 ( 0.229 0.075 -0.682) 0.723 5.829 ( -1.653 -4.200 1.448) 4.740 5.878 ( -4.218 -2.403 0.719) 4.908 5.995 ( -3.527 2.741 -3.387) 5.606 6.058 ( -0.944 1.635 -7.563) 7.795 6.128 ( 2.089 0.396 -10.077) 10.298 6.217 ( -0.225 1.722 5.362) 5.636 6.346 ( -0.174 -3.401 4.269) 5.461 6.455 ( 15.977 0.935 2.466) 16.193 6.541 ( 3.749 0.660 -4.905) 6.209 6.596 ( 1.403 4.926 -0.584) 5.156 6.637 ( 3.754 3.438 -4.462) 6.769 6.701 ( -5.569 3.181 -0.756) 6.458 6.735 ( 6.853 -2.604 3.948) 8.326 6.812 ( 5.366 6.202 -2.414) 8.549 6.960 ( 1.576 -1.399 -2.626) 3.367 7.005 ( 3.939 1.694 -2.888) 5.170 7.073 ( -2.644 -4.266 0.053) 5.019 7.161 ( -7.792 1.474 1.670) 8.104 7.276 ( -3.744 2.689 -0.774) 4.674 7.397 ( 6.219 -2.371 -0.044) 6.656 7.406 ( 1.100 -0.542 0.685) 1.404 7.491 ( 6.894 -3.474 1.185) 7.810 7.619 ( -4.088 -5.253 -1.455) 6.813 7.692 ( 7.532 0.378 2.925) 8.089 7.747 ( 7.853 -2.114 4.677) 9.381 7.919 ( -1.340 2.402 2.038) 3.424 8.026 ( -2.442 0.697 -1.497) 2.948 8.146 ( -0.997 -5.367 -0.548) 5.486 8.297 ( 1.610 -0.398 2.465) 2.971 8.380 ( -2.232 0.538 -3.875) 4.505 8.502 ( -3.497 2.673 4.585) 6.356 8.539 ( -0.188 -6.235 6.082) 8.712 8.624 ( -5.472 0.817 4.231) 6.965 8.707 ( 3.445 1.147 11.375) 11.941 8.841 ( -1.739 -1.997 -0.579) 2.710 8.956 ( 4.768 -0.257 -1.412) 4.980 9.048 ( 3.518 -0.000 -0.781) 3.604 9.079 ( 0.186 -1.032 -0.032) 1.049 9.140 ( 3.143 -4.435 2.064) 5.814 9.262 ( -4.615 -2.395 4.212) 6.691 9.335 ( 0.094 2.749 -5.208) 5.889 9.456 ( 0.573 4.393 -0.515) 4.460 9.468 ( 0.313 -0.124 -0.707) 0.783 9.572 ( -3.251 -2.728 -0.330) 4.257 9.812 ( -0.918 3.670 1.279) 3.994 9.878 ( 1.236 5.906 -0.570) 6.061 9.893 ( -2.727 2.349 -1.332) 3.838 10.122 ( 3.257 -3.570 -3.522) 5.980 10.207 ( 4.094 -0.920 0.035) 4.197 10.255 ( 3.373 -3.711 -1.129) 5.141 10.312 ( -0.836 2.155 -7.600) 7.944 10.328 ( 1.263 4.243 1.046) 4.549 10.491 ( 1.291 2.089 -0.251) 2.469 10.504 ( -0.121 1.220 1.596) 2.012 10.574 ( -0.351 0.370 -0.285) 0.584 10.622 ( -1.359 -5.052 -5.030) 7.257 10.698 ( -5.471 3.364 0.014) 6.422 10.792 ( -1.566 -5.403 6.765) 8.799 10.900 ( 2.837 3.992 5.895) 7.664 11.010 ( -1.117 -3.043 7.126) 7.829 11.072 ( -1.436 3.212 0.367) 3.538 11.155 ( -5.091 1.279 -1.614) 5.492 11.214 ( -0.619 -0.343 4.033) 4.095 11.372 ( 5.574 -2.044 0.717) 5.980 11.431 ( -2.592 1.424 -1.797) 3.460 11.492 ( 4.593 0.136 0.492) 4.621 11.571 ( 3.694 -3.155 -3.933) 6.251 11.750 ( -4.062 -1.973 -5.842) 7.384 11.862 ( -1.271 -1.493 -3.953) 4.413 11.931 ( 1.485 -6.761 -1.449) 7.072 12.055 ( -2.609 -1.298 2.187) 3.643 12.227 ( -0.925 -0.466 -0.064) 1.038 12.290 ( 1.273 -1.557 7.141) 7.419 12.363 ( 4.362 2.415 -4.068) 6.435 12.459 ( -5.254 -2.624 0.215) 5.877 12.532 ( -2.114 -3.036 2.247) 4.328 12.729 ( -4.429 3.546 1.913) 5.987 12.835 ( -0.053 1.313 -4.484) 4.673 12.924 ( -0.435 -7.984 -0.266) 8.000 12.966 ( -1.843 -2.988 -3.408) 4.893 13.024 ( -3.511 0.299 2.389) 4.257 13.266 ( -0.072 -3.012 -2.645) 4.009 13.308 ( -1.602 4.510 -2.174) 5.256 13.447 ( -6.579 3.208 -7.876) 10.752 13.592 ( -4.200 4.629 -2.715) 6.815 13.727 ( -1.196 10.098 -6.834) 12.252 13.984 ( -10.456 -6.428 2.136) 12.458 14.015 ( -4.635 -0.807 4.413) 6.451 14.120 ( -2.258 -4.606 -2.628) 5.763 14.313 ( -0.601 6.364 2.034) 6.708 14.377 ( 1.278 -5.016 -1.493) 5.387 14.582 ( 6.347 -0.225 -0.253) 6.356 14.635 ( 12.588 3.518 7.404) 15.022 14.668 ( -3.288 -6.067 2.111) 7.216 14.977 ( -3.948 6.491 1.296) 7.706 14.995 ( 0.013 -0.385 -0.744) 0.838 15.139 ( -0.510 -4.766 4.562) 6.617 15.291 ( 2.483 -0.792 -9.896) 10.234 15.410 ( 8.329 5.590 -1.521) 10.146 15.484 ( 6.040 0.264 -1.625) 6.261 15.831 ( -1.183 3.118 6.841) 7.610 16.212 ( -2.182 -1.412 -3.276) 4.182 16.343 ( 0.470 -2.363 3.825) 4.520 16.430 ( 2.877 -5.953 -0.943) 6.679 16.542 ( 2.488 1.346 -2.420) 3.723 16.594 ( 4.681 1.016 -1.629) 5.060 16.760 ( -0.877 -0.788 2.810) 3.047 16.937 ( 2.634 -3.796 -0.791) 4.688 20.920 ( -1.333 -0.413 -0.650) 1.539 20.976 ( 0.356 -1.570 -3.689) 4.025 21.025 ( -2.865 -3.194 3.165) 5.331 21.245 ( 3.001 -10.997 2.159) 11.602 21.836 ( -0.125 1.613 5.936) 6.152 21.942 ( -3.844 -1.897 10.393) 11.242 22.108 ( -3.485 6.246 -3.956) 8.174 22.385 ( 5.127 0.819 0.723) 5.242 22.523 ( -0.113 8.397 1.234) 8.487 22.671 ( -0.072 4.723 -3.142) 5.673 22.767 ( 0.217 9.063 3.002) 9.550 22.868 ( 4.789 11.803 6.335) 14.226 23.286 ( -10.461 -8.895 -6.454) 15.172 23.369 ( -0.485 -4.090 -10.797) 11.556 23.518 ( -4.364 -6.461 1.073) 7.870 23.826 ( 8.501 0.987 -0.442) 8.570 23.854 ( -0.348 1.361 -1.945) 2.399 23.957 ( 0.045 1.563 -6.895) 7.070 24.003 ( 0.491 -7.440 2.609) 7.900 24.408 ( 6.437 -8.774 -7.836) 13.410 24.562 ( -5.799 9.728 8.164) 13.962 24.893 ( -11.584 -1.428 6.821) 13.518 25.029 ( 6.712 10.056 -3.437) 12.569 25.429 ( 13.433 -1.882 -0.729) 13.584 26.874 ( -1.580 0.210 0.508) 1.673 26.918 ( -2.282 -0.698 -0.945) 2.566 26.973 ( -2.291 -0.158 0.968) 2.492 27.094 ( 0.885 -3.101 -0.987) 3.372 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -32.441 13.580 4.317) 35.432 1.744 ( -32.553 13.317 3.293) 35.325 2.532 ( -7.697 -3.132 -10.760) 13.596 2.650 ( -7.413 1.565 4.505) 8.815 2.700 ( -16.264 2.986 7.465) 18.142 2.770 ( -22.548 -4.880 1.357) 23.110 2.983 ( -7.416 8.609 -3.428) 11.868 3.050 ( -1.433 -1.525 -3.264) 3.877 3.077 ( -2.324 -8.723 5.346) 10.492 3.179 ( -0.131 -4.040 -1.033) 4.172 3.234 ( 1.749 1.016 3.977) 4.462 3.310 ( -1.381 3.059 -2.362) 4.104 3.445 ( 3.980 -7.926 2.867) 9.321 3.476 ( 4.345 -0.137 4.624) 6.347 3.560 ( 2.701 0.835 -2.652) 3.876 3.663 ( -5.861 2.788 3.652) 7.447 3.673 ( 0.314 -4.768 -3.583) 5.973 3.714 ( 0.957 -0.578 0.111) 1.124 3.811 ( -2.454 -1.063 -1.215) 2.938 3.879 ( -0.702 -5.124 -2.804) 5.883 4.003 ( -3.779 -1.077 -1.674) 4.272 4.077 ( 8.738 -1.048 -1.078) 8.866 4.111 ( 2.214 -0.497 0.469) 2.317 4.139 ( 2.423 -1.095 -5.400) 6.019 4.267 ( -5.159 2.501 2.223) 6.149 4.336 ( -0.144 3.211 8.315) 8.915 4.381 ( -5.608 8.309 0.018) 10.024 4.456 ( 1.201 0.808 -4.104) 4.352 4.616 ( 1.018 4.867 3.379) 6.012 4.654 ( 0.650 1.771 2.394) 3.048 4.659 ( -2.321 13.677 3.408) 14.285 4.760 ( 1.823 6.596 -6.618) 9.519 4.977 ( -3.261 1.727 5.066) 6.268 4.993 ( -3.489 -5.239 2.414) 6.741 5.160 ( -6.433 1.143 4.922) 8.180 5.211 ( -2.091 1.078 6.097) 6.536 5.310 ( -0.981 0.458 -0.812) 1.353 5.377 ( -5.387 1.388 -3.020) 6.330 5.418 ( -3.430 2.397 -1.353) 4.398 5.463 ( -1.620 -1.516 0.180) 2.226 5.547 ( -2.835 2.237 -2.686) 4.501 5.600 ( -2.716 -7.002 -0.091) 7.511 5.722 ( 2.894 2.041 -8.302) 9.026 5.782 ( -4.094 -6.614 -0.699) 7.810 5.814 ( 9.567 1.957 -1.333) 9.856 5.872 ( -8.978 0.715 -1.966) 9.218 5.902 ( 3.161 -5.262 2.892) 6.786 5.970 ( 2.850 -0.295 -9.664) 10.080 6.109 ( -3.858 0.480 1.586) 4.198 6.190 ( -2.302 2.293 4.958) 5.928 6.363 ( 4.463 -2.724 1.642) 5.480 6.440 ( -7.351 -1.703 -8.802) 11.594 6.606 ( 2.399 5.988 -0.738) 6.493 6.683 ( 6.835 0.643 1.337) 6.994 6.708 ( 10.901 0.126 -9.120) 14.213 6.834 ( 2.350 -0.333 0.395) 2.406 6.870 ( -1.868 -2.347 -3.583) 4.673 6.926 ( 7.903 -2.390 2.632) 8.666 7.015 ( 3.179 -1.622 -1.279) 3.791 7.052 ( 9.901 -0.777 1.123) 9.995 7.080 ( 4.485 1.045 6.361) 7.853 7.177 ( 2.407 -0.583 3.359) 4.173 7.338 ( 10.325 8.572 2.504) 13.651 7.415 ( -1.923 1.465 2.206) 3.273 7.485 ( 4.908 -4.959 -0.878) 7.032 7.628 ( 4.250 -4.205 -2.596) 6.518 7.695 ( 14.156 2.303 -3.072) 14.667 7.824 ( 5.563 1.874 3.758) 6.970 7.883 ( -1.931 -1.086 -0.496) 2.270 7.934 ( -1.732 4.366 -0.659) 4.743 7.960 ( 2.130 -2.220 0.153) 3.080 8.137 ( 2.116 -2.757 0.775) 3.560 8.321 ( -0.503 2.021 2.498) 3.253 8.370 ( 0.178 5.303 0.457) 5.326 8.439 ( -6.332 0.357 7.522) 9.838 8.511 ( -3.667 -1.636 7.018) 8.085 8.599 ( -1.520 0.527 5.592) 5.818 8.795 ( 3.413 -5.342 0.664) 6.374 8.878 ( 0.874 2.904 6.894) 7.531 9.000 ( 2.024 -0.904 -4.276) 4.816 9.089 ( 0.592 -2.504 1.745) 3.109 9.134 ( -5.658 0.668 0.742) 5.745 9.137 ( 1.511 -0.432 4.342) 4.618 9.241 ( 2.729 -6.682 0.620) 7.245 9.293 ( 0.900 3.533 -10.736) 11.338 9.447 ( -0.486 -1.948 -4.650) 5.065 9.464 ( -0.771 1.105 -0.424) 1.412 9.535 ( 2.545 3.036 -4.450) 5.958 9.772 ( -2.752 3.799 0.071) 4.691 9.876 ( -0.764 2.640 3.034) 4.094 9.941 ( 5.199 3.911 3.663) 7.466 10.115 ( -2.052 -2.743 -0.795) 3.517 10.191 ( -1.345 -1.887 -4.917) 5.436 10.292 ( 1.999 -0.165 -0.128) 2.010 10.378 ( 3.322 -4.401 1.518) 5.719 10.432 ( -0.223 3.413 -1.177) 3.617 10.473 ( 5.619 3.571 3.137) 7.360 10.513 ( 1.903 -1.715 2.146) 3.342 10.571 ( 0.072 0.497 -2.752) 2.798 10.588 ( 0.252 0.720 -0.908) 1.186 10.691 ( 4.955 3.704 -0.145) 6.188 10.796 ( -2.875 -5.063 4.562) 7.397 10.847 ( -7.202 2.933 -0.418) 7.787 11.007 ( -0.680 2.253 -1.605) 2.848 11.071 ( -1.407 0.854 5.559) 5.798 11.152 ( 2.742 2.381 3.463) 5.018 11.211 ( -1.453 -0.052 3.607) 3.889 11.376 ( -3.020 2.585 1.310) 4.185 11.451 ( 2.691 -0.829 -2.999) 4.114 11.521 ( -5.303 -7.682 0.409) 9.344 11.628 ( 6.699 1.250 -0.306) 6.821 11.648 ( -1.405 -5.098 -4.503) 6.945 11.696 ( -8.686 -5.299 -3.605) 10.795 11.972 ( 2.319 -3.669 -6.251) 7.610 12.120 ( 4.642 1.169 3.220) 5.769 12.216 ( -0.860 -0.464 1.406) 1.713 12.252 ( -5.926 -0.061 -5.211) 7.891 12.344 ( -6.050 -2.165 5.793) 8.651 12.422 ( -6.326 0.420 -3.173) 7.090 12.451 ( 1.631 3.432 0.700) 3.864 12.583 ( -10.355 1.757 -0.876) 10.539 12.800 ( -11.459 -5.054 1.163) 12.578 12.834 ( -4.219 -3.577 1.002) 5.622 12.904 ( 1.665 -5.584 -1.575) 6.036 13.040 ( -3.022 0.809 -3.074) 4.386 13.101 ( -4.463 3.977 3.083) 6.726 13.210 ( -9.048 -2.499 -7.006) 11.713 13.267 ( -2.979 -3.188 0.490) 4.390 13.520 ( -3.782 1.125 -5.329) 6.631 13.598 ( -7.031 7.955 -4.660) 11.594 13.758 ( -8.668 6.224 0.892) 10.709 13.949 ( -1.916 -9.336 -3.020) 9.998 14.144 ( 3.522 1.217 -1.028) 3.866 14.322 ( -2.417 -0.552 7.660) 8.051 14.383 ( -3.403 -4.811 -4.423) 7.368 14.460 ( -1.464 -0.676 -2.791) 3.223 14.641 ( -7.717 0.557 6.070) 9.834 14.863 ( 3.055 0.058 -4.915) 5.787 14.949 ( -5.297 -0.576 1.312) 5.487 15.095 ( 8.786 3.843 3.866) 10.340 15.216 ( 5.449 -3.340 -4.740) 7.958 15.280 ( 5.750 -1.600 -0.640) 6.003 15.516 ( 3.603 5.151 -7.945) 10.131 15.585 ( 5.539 2.997 -4.366) 7.663 15.909 ( 1.015 -4.354 13.813) 14.518 16.149 ( -0.399 -0.889 -1.374) 1.685 16.356 ( -0.808 -3.728 -0.836) 3.905 16.531 ( 8.366 -2.393 1.138) 8.776 16.656 ( 6.666 -1.099 1.231) 6.867 16.736 ( 9.407 0.822 -0.245) 9.446 16.812 ( 5.941 1.344 0.457) 6.109 16.990 ( 2.973 -4.072 -0.466) 5.063 20.870 ( -3.039 0.157 -0.816) 3.150 20.932 ( -3.043 -3.373 -1.232) 4.707 20.965 ( -3.797 -2.389 0.382) 4.502 21.277 ( -1.751 -15.875 1.067) 16.007 21.860 ( -2.124 0.520 7.219) 7.543 21.908 ( -5.826 -2.796 8.461) 10.647 22.038 ( -1.383 6.091 -2.719) 6.812 22.436 ( 1.481 -3.277 -2.011) 4.121 22.510 ( -1.807 5.962 -1.303) 6.365 22.696 ( 3.777 6.823 -1.510) 7.944 22.777 ( -0.946 7.629 1.768) 7.889 23.079 ( 1.539 1.618 5.157) 5.620 23.096 ( 0.869 4.776 5.120) 7.055 23.257 ( -2.392 -4.120 -5.558) 7.320 23.444 ( 2.105 13.986 -9.592) 17.090 23.781 ( -2.233 3.081 -3.484) 5.159 23.922 ( 0.283 -2.092 -2.574) 3.329 23.977 ( -2.247 -1.347 -1.232) 2.895 24.049 ( 9.765 -2.876 -0.598) 10.197 24.462 ( -3.104 1.118 0.161) 3.303 24.615 ( 11.156 -9.750 5.357) 15.755 24.732 ( -7.595 -1.765 2.778) 8.278 25.228 ( 12.521 15.109 -0.233) 19.624 25.724 ( 15.607 -0.449 -0.339) 15.618 26.822 ( -3.808 0.079 0.604) 3.857 26.844 ( -4.255 -0.295 -0.766) 4.333 26.903 ( -5.065 -0.140 0.575) 5.099 27.081 ( -1.605 -5.444 -1.936) 5.997 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -25.975 22.838 7.813) 35.459 1.212 ( -25.394 25.251 13.122) 38.140 1.953 ( -39.045 36.392 22.314) 57.852 2.389 ( 0.210 -2.617 -13.005) 13.267 2.541 ( -6.634 -10.942 3.250) 13.202 2.724 ( -0.027 -4.196 4.878) 6.434 2.827 ( -7.661 1.504 -5.780) 9.714 2.998 ( -4.310 -10.980 6.308) 13.377 3.043 ( 1.479 -2.461 -5.225) 5.962 3.108 ( -3.770 -1.071 -4.268) 5.794 3.256 ( -1.711 -1.878 0.017) 2.541 3.305 ( -0.880 -3.612 1.676) 4.078 3.455 ( -2.045 2.391 -2.968) 4.326 3.493 ( 0.649 -2.831 -0.873) 3.033 3.540 ( -4.686 -0.676 -1.573) 4.989 3.567 ( -1.936 -2.014 1.589) 3.214 3.683 ( 1.434 0.704 -0.481) 1.668 3.778 ( -0.811 -0.365 3.993) 4.090 3.786 ( 2.458 2.965 0.883) 3.952 3.883 ( -6.506 -3.333 -2.025) 7.585 3.940 ( 3.663 4.426 8.744) 10.463 4.000 ( -3.462 -0.692 -8.211) 8.938 4.121 ( -3.231 4.701 -0.769) 5.756 4.196 ( 0.915 5.543 -0.931) 5.695 4.229 ( 1.744 2.232 -4.260) 5.116 4.306 ( 0.012 1.272 0.580) 1.398 4.457 ( 0.691 3.524 5.911) 6.916 4.597 ( 10.430 -8.728 2.240) 13.783 4.634 ( 5.008 0.128 -1.286) 5.172 4.686 ( 2.360 3.885 3.168) 5.541 4.713 ( 0.578 8.052 1.846) 8.281 4.742 ( 1.373 3.688 0.437) 3.960 4.859 ( -3.429 5.597 -4.576) 8.001 5.045 ( 0.015 -4.423 4.324) 6.186 5.073 ( -0.094 -2.252 -0.392) 2.288 5.188 ( -4.304 1.277 -3.450) 5.662 5.197 ( -4.411 3.792 1.509) 6.010 5.284 ( -12.182 -2.287 -1.056) 12.439 5.315 ( -0.971 -6.038 -3.949) 7.280 5.419 ( -10.129 -4.645 4.627) 12.066 5.503 ( 0.417 -5.358 0.954) 5.458 5.524 ( -0.322 2.127 0.879) 2.324 5.614 ( -7.002 -0.429 -3.211) 7.715 5.680 ( -4.040 0.668 -5.802) 7.102 5.726 ( -8.468 -2.948 -3.568) 9.650 5.792 ( -7.101 0.041 0.736) 7.139 5.938 ( 0.568 -0.759 -3.827) 3.942 6.021 ( 3.097 -1.471 -4.086) 5.333 6.162 ( 7.798 -0.883 -0.583) 7.870 6.243 ( 2.779 0.108 -2.210) 3.552 6.309 ( 4.854 -5.079 -0.290) 7.031 6.586 ( 11.965 -0.263 5.672) 13.244 6.682 ( 1.532 4.611 1.402) 5.057 6.691 ( 0.813 0.547 -2.116) 2.332 6.841 ( -2.604 -3.507 -2.456) 5.011 6.862 ( 5.434 -2.685 -4.978) 7.843 6.896 ( 4.846 0.748 -1.365) 5.090 6.924 ( 1.051 -4.938 -3.699) 6.259 7.115 ( 3.647 1.302 3.333) 5.109 7.175 ( -0.121 3.385 6.206) 7.070 7.281 ( 5.423 -1.590 5.224) 7.695 7.310 ( 11.721 -4.547 0.982) 12.611 7.397 ( -3.432 3.528 9.081) 10.329 7.517 ( 0.137 -5.881 -5.654) 8.159 7.564 ( 7.122 3.751 -0.077) 8.050 7.693 ( 3.821 -0.406 -2.792) 4.750 7.781 ( -0.455 1.123 -3.588) 3.787 7.890 ( 1.766 7.465 0.454) 7.684 7.938 ( 0.793 1.421 4.029) 4.345 7.997 ( 9.448 2.942 0.884) 9.935 8.033 ( 5.427 -2.076 4.200) 7.169 8.162 ( -0.330 1.261 -2.848) 3.132 8.293 ( -8.048 -0.697 7.881) 11.286 8.317 ( -2.412 -0.005 5.253) 5.780 8.470 ( 6.628 4.062 1.009) 7.839 8.573 ( 0.643 -3.981 2.522) 4.757 8.594 ( -0.300 1.681 2.508) 3.034 8.815 ( 2.670 0.718 -1.411) 3.104 8.929 ( -3.385 3.282 2.060) 5.145 8.975 ( -3.198 2.295 -2.105) 4.464 9.023 ( 3.985 3.118 0.575) 5.092 9.098 ( -0.891 -1.326 -6.469) 6.663 9.182 ( 0.574 2.301 -9.993) 10.271 9.232 ( 0.038 -3.890 8.171) 9.049 9.358 ( 7.263 0.279 3.769) 8.188 9.384 ( -0.840 -2.703 -1.938) 3.430 9.499 ( 4.893 0.003 -0.667) 4.938 9.602 ( 3.239 3.720 1.646) 5.200 9.765 ( 1.168 0.980 1.991) 2.508 9.884 ( 0.097 5.109 4.214) 6.623 10.020 ( -4.406 -3.124 -5.144) 7.459 10.116 ( 6.356 2.165 6.424) 9.292 10.143 ( -1.716 -1.434 -3.018) 3.757 10.229 ( -4.793 1.138 0.236) 4.932 10.376 ( -2.018 0.874 -0.350) 2.227 10.445 ( -5.220 -0.999 -0.060) 5.315 10.547 ( -1.030 1.706 -1.597) 2.554 10.562 ( 6.861 -0.933 1.912) 7.184 10.636 ( 4.518 1.527 -0.921) 4.858 10.684 ( 1.529 1.994 -1.821) 3.103 10.755 ( 5.659 1.564 -6.552) 8.798 10.775 ( 5.399 -2.853 9.704) 11.465 10.836 ( 4.721 1.708 1.566) 5.259 10.976 ( -0.126 6.020 -4.592) 7.572 11.082 ( -2.590 0.066 7.310) 7.755 11.162 ( -3.570 -9.262 2.090) 10.143 11.240 ( -0.087 5.716 3.628) 6.771 11.308 ( -6.553 2.146 3.874) 7.909 11.365 ( -3.743 -10.480 -5.152) 12.263 11.425 ( -5.965 -1.577 -1.654) 6.387 11.593 ( -0.484 -2.111 -3.168) 3.838 11.648 ( 6.294 -7.191 -4.676) 10.639 11.720 ( 2.021 1.845 -4.882) 5.597 11.960 ( -6.405 -0.042 0.262) 6.411 12.020 ( -3.903 -0.269 0.241) 3.920 12.117 ( -13.017 -1.633 -1.897) 13.255 12.161 ( -5.619 0.151 -3.978) 6.886 12.253 ( -9.424 -6.942 -6.391) 13.336 12.335 ( 3.113 -0.302 5.931) 6.705 12.413 ( -0.850 3.400 -0.797) 3.594 12.462 ( -3.742 1.936 -0.452) 4.237 12.519 ( -17.280 -3.580 0.555) 17.656 12.702 ( -7.273 -0.074 -1.479) 7.422 12.797 ( -5.327 -2.906 -2.846) 6.703 13.021 ( 3.572 -6.786 -5.297) 9.320 13.079 ( -2.257 -6.037 -1.167) 6.550 13.140 ( -1.839 -0.004 1.689) 2.497 13.229 ( -3.584 -0.638 -3.115) 4.791 13.309 ( -6.678 9.305 -4.095) 12.163 13.499 ( -1.076 -1.894 2.555) 3.357 13.654 ( -1.436 7.132 -2.741) 7.774 13.939 ( 0.742 -9.020 3.078) 9.559 14.208 ( 2.038 -1.720 -6.738) 7.247 14.259 ( -1.096 0.959 0.605) 1.577 14.340 ( -2.472 -1.750 6.626) 7.285 14.432 ( -4.333 4.312 -2.555) 6.626 14.506 ( -4.032 -3.394 -3.263) 6.199 14.760 ( -9.715 1.839 -9.423) 13.658 14.821 ( -4.526 1.681 -4.881) 6.866 15.040 ( -5.029 -9.071 -4.280) 11.221 15.360 ( 5.107 4.449 2.029) 7.070 15.427 ( 3.275 4.532 1.444) 5.775 15.485 ( 0.986 7.084 -8.632) 11.210 15.680 ( 5.808 3.787 1.602) 7.116 15.960 ( -1.136 -5.568 6.163) 8.383 16.242 ( 3.347 -8.466 11.659) 14.792 16.349 ( 1.395 3.220 2.632) 4.387 16.730 ( 8.662 -0.114 3.225) 9.243 16.766 ( 4.171 -5.559 0.837) 7.000 16.915 ( 7.319 0.649 0.050) 7.348 16.947 ( 6.279 0.210 -1.975) 6.586 17.050 ( 3.232 -2.840 0.162) 4.306 20.806 ( -2.249 0.913 -1.740) 2.987 20.840 ( -6.705 -6.486 1.328) 9.423 20.907 ( -1.381 -2.107 -1.419) 2.892 21.146 ( -10.860 -13.916 -3.542) 18.003 21.813 ( -5.400 -0.001 4.551) 7.062 21.871 ( -2.591 -0.990 5.848) 6.472 22.015 ( -0.139 6.325 -0.722) 6.368 22.434 ( -0.092 -4.095 -4.497) 6.082 22.472 ( -0.516 6.549 1.474) 6.733 22.752 ( 1.735 6.118 -3.085) 7.068 22.767 ( 0.872 4.548 0.403) 4.649 23.009 ( -2.115 -6.063 2.551) 6.910 23.117 ( -2.600 1.783 -1.139) 3.352 23.168 ( -4.455 5.639 -14.861) 16.508 23.739 ( 0.824 2.996 -0.861) 3.225 23.777 ( 16.675 10.316 6.069) 20.526 23.924 ( 7.830 4.604 -1.049) 9.143 23.980 ( 4.113 1.790 -1.038) 4.604 24.221 ( 7.124 -3.471 1.645) 8.093 24.415 ( 0.591 0.852 4.068) 4.199 24.639 ( -2.475 0.438 4.609) 5.250 24.886 ( 10.763 -11.305 4.547) 16.259 25.473 ( 10.748 16.314 5.886) 20.403 26.013 ( 14.747 2.996 -1.449) 15.118 26.748 ( -3.443 0.165 0.297) 3.459 26.763 ( -3.186 -0.174 -0.367) 3.212 26.802 ( -4.842 -0.357 0.107) 4.856 26.974 ( -8.677 -8.305 -4.646) 12.878 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.020 29.709 4.179) 30.002 1.661 ( -0.750 32.168 11.444) 34.152 1.987 ( 2.874 -23.799 -0.013) 23.972 2.243 ( -1.993 -24.773 0.931) 24.870 2.456 ( 1.136 3.442 -2.443) 4.371 2.588 ( 1.343 -8.668 6.306) 10.803 2.857 ( 2.541 40.155 12.605) 42.164 2.913 ( 3.026 4.474 -7.546) 9.280 3.052 ( -1.207 -4.835 -3.534) 6.110 3.116 ( 3.673 -2.405 -1.050) 4.514 3.169 ( -0.037 0.326 0.765) 0.832 3.325 ( -0.535 13.112 -0.456) 13.131 3.418 ( 1.611 -5.435 4.797) 7.426 3.504 ( -2.481 -1.240 1.254) 3.044 3.518 ( -2.927 -3.462 4.786) 6.592 3.560 ( -3.878 4.018 -0.066) 5.585 3.594 ( 0.961 -3.659 -1.471) 4.059 3.670 ( -0.462 -1.131 2.322) 2.624 3.748 ( 1.565 -6.277 6.440) 9.128 3.849 ( -1.569 -4.605 -2.139) 5.314 4.039 ( -3.256 11.448 -3.367) 12.369 4.077 ( -0.506 0.442 -9.213) 9.238 4.169 ( 2.581 -1.589 -1.454) 3.362 4.271 ( -2.147 -2.664 0.299) 3.435 4.287 ( 1.893 5.005 -0.813) 5.412 4.379 ( 5.373 -2.522 -0.919) 6.007 4.446 ( -1.316 -6.341 1.543) 6.657 4.550 ( 2.927 -3.055 5.004) 6.553 4.615 ( -0.138 -3.585 3.918) 5.312 4.691 ( 3.984 -11.292 2.803) 12.298 4.756 ( -5.694 4.845 -2.420) 7.858 4.822 ( -3.241 2.316 0.323) 3.996 4.867 ( -4.173 -2.699 -0.455) 4.990 4.912 ( -4.914 -5.069 1.233) 7.167 4.997 ( 7.422 0.482 -0.415) 7.449 5.052 ( 1.495 -4.422 0.828) 4.741 5.182 ( 2.042 6.411 3.079) 7.399 5.217 ( -0.619 3.403 2.769) 4.431 5.269 ( -1.529 7.760 4.130) 8.923 5.363 ( -4.906 1.345 0.727) 5.139 5.439 ( -0.003 5.266 -3.083) 6.102 5.479 ( -0.704 1.646 -1.585) 2.391 5.586 ( -1.318 2.513 -1.685) 3.300 5.631 ( -0.455 0.720 -5.482) 5.548 5.757 ( -0.482 8.475 -1.169) 8.569 5.831 ( 4.620 -2.235 -10.793) 11.951 5.893 ( 5.591 -1.202 -3.060) 6.486 5.955 ( 2.029 -7.219 0.720) 7.533 6.161 ( -0.158 -1.615 4.478) 4.763 6.204 ( -2.779 -7.026 3.906) 8.506 6.363 ( -1.742 1.774 -2.380) 3.442 6.473 ( -4.938 -9.267 -4.748) 11.524 6.679 ( -3.286 6.285 -2.434) 7.498 6.722 ( -1.871 -1.369 -4.559) 5.115 6.778 ( 3.780 -2.841 -5.375) 7.159 6.846 ( 2.972 -5.172 -1.993) 6.289 6.961 ( 2.429 -3.508 -7.419) 8.558 6.976 ( 1.543 -0.315 -4.839) 5.089 7.092 ( -1.775 3.735 -2.845) 5.019 7.230 ( -1.091 -6.128 -0.624) 6.256 7.279 ( -4.605 2.183 9.395) 10.688 7.358 ( -0.724 -3.535 5.439) 6.527 7.451 ( 2.852 4.898 6.896) 8.926 7.506 ( 2.182 1.390 1.333) 2.910 7.709 ( 3.806 4.822 3.017) 6.844 7.782 ( 4.606 -2.047 2.368) 5.569 7.835 ( -0.303 5.398 2.056) 5.784 7.922 ( -1.572 -0.424 1.512) 2.222 7.979 ( -6.086 -3.017 3.767) 7.767 8.025 ( -7.944 -5.261 4.229) 10.425 8.144 ( -2.193 8.937 4.350) 10.179 8.223 ( -2.094 4.867 2.441) 5.833 8.269 ( 2.952 0.638 3.455) 4.588 8.334 ( 1.182 2.656 5.159) 5.922 8.414 ( 4.016 -5.625 6.218) 9.297 8.429 ( -0.328 -9.126 7.066) 11.546 8.735 ( -7.379 2.368 -5.976) 9.786 8.792 ( 1.050 -0.998 -4.936) 5.144 8.846 ( -5.420 1.001 -4.416) 7.062 8.908 ( 0.456 -1.796 -3.066) 3.583 9.116 ( 4.692 4.040 -7.840) 9.990 9.180 ( 5.616 -2.301 -0.275) 6.075 9.211 ( 0.543 1.671 -3.517) 3.931 9.278 ( 5.500 -4.041 -2.430) 7.245 9.408 ( 1.559 4.618 -1.270) 5.037 9.511 ( 2.086 -4.860 -3.339) 6.255 9.674 ( 3.156 2.542 9.739) 10.548 9.699 ( 4.878 0.082 10.472) 11.552 9.832 ( -3.221 5.133 -1.358) 6.210 9.876 ( -7.387 6.040 0.309) 9.547 9.937 ( -1.121 -5.986 -3.415) 6.982 10.014 ( -4.632 -6.403 1.230) 7.998 10.169 ( 2.795 7.716 -2.223) 8.502 10.263 ( -1.232 -0.108 -4.769) 4.927 10.344 ( -1.310 2.706 -0.157) 3.010 10.428 ( -0.581 -3.449 -2.157) 4.109 10.541 ( -3.787 3.739 0.205) 5.326 10.562 ( -4.709 1.135 0.198) 4.848 10.659 ( -2.979 -0.548 -0.775) 3.127 10.684 ( -3.103 3.997 -0.566) 5.092 10.743 ( 1.021 -5.284 2.692) 6.018 10.790 ( 2.765 -4.614 -1.380) 5.553 10.924 ( 5.399 3.511 -1.710) 6.663 10.951 ( -1.614 0.333 0.431) 1.703 11.027 ( 0.652 -1.485 -0.570) 1.719 11.069 ( 1.920 -7.473 3.971) 8.677 11.176 ( -4.067 2.107 -3.911) 6.023 11.216 ( -2.030 -0.629 -1.467) 2.582 11.383 ( -7.796 9.175 -7.004) 13.929 11.514 ( -1.915 -3.790 -6.340) 7.630 11.540 ( -4.145 3.206 4.276) 6.763 11.605 ( 5.913 -2.015 4.099) 7.471 11.680 ( 7.027 -0.001 1.465) 7.178 11.745 ( 6.397 -4.615 -4.660) 9.162 11.840 ( -5.172 3.421 -0.504) 6.222 11.926 ( -1.972 -5.015 -1.004) 5.481 12.186 ( 5.268 1.705 1.558) 5.752 12.223 ( 8.436 -1.483 -0.486) 8.579 12.300 ( 0.837 0.263 1.658) 1.875 12.333 ( 0.141 -2.420 2.751) 3.666 12.444 ( 0.614 5.607 -4.304) 7.095 12.522 ( 1.689 -1.581 -4.895) 5.414 12.707 ( 0.713 7.276 1.827) 7.536 12.761 ( -0.155 1.838 -0.705) 1.975 12.856 ( -3.064 -6.393 -2.929) 7.671 12.884 ( 0.252 -9.463 -2.189) 9.716 13.065 ( -4.754 0.538 -6.677) 8.214 13.092 ( -1.472 -1.885 -4.918) 5.469 13.488 ( 6.136 9.240 5.331) 12.306 13.597 ( 7.052 -2.362 9.171) 11.808 13.696 ( -4.962 4.203 -1.883) 6.770 13.839 ( -3.198 -8.940 -0.103) 9.495 14.103 ( 0.378 2.324 5.683) 6.152 14.213 ( 3.796 -7.907 5.595) 10.403 14.360 ( -1.504 4.599 0.697) 4.888 14.399 ( -2.676 1.459 -0.015) 3.048 14.610 ( 2.841 3.419 -1.885) 4.829 14.633 ( 0.035 0.281 -3.070) 3.083 14.792 ( 0.381 4.984 -6.199) 7.963 14.910 ( 2.095 -6.701 -2.219) 7.363 15.385 ( -4.269 2.591 -3.630) 6.174 15.427 ( -3.619 -1.492 -3.111) 5.000 15.660 ( 1.345 7.179 -3.995) 8.326 15.752 ( 0.686 -2.329 -3.949) 4.636 16.046 ( 0.626 6.653 13.023) 14.637 16.210 ( 2.479 -9.090 13.458) 16.428 16.506 ( -0.562 8.117 2.960) 8.658 16.672 ( -0.759 -7.921 0.308) 7.963 16.851 ( 0.271 1.120 1.603) 1.974 16.900 ( 0.047 -4.026 -0.412) 4.047 17.043 ( 0.360 1.602 -2.231) 2.770 17.065 ( -0.067 -0.744 -1.415) 1.600 20.726 ( -0.294 3.207 0.054) 3.221 20.790 ( 1.440 -2.136 -2.005) 3.264 20.854 ( -1.243 0.780 0.338) 1.506 20.907 ( -1.771 -3.436 -1.507) 4.149 21.797 ( -2.135 1.879 3.678) 4.649 21.832 ( -1.960 -1.686 4.573) 5.253 22.167 ( 1.059 8.180 -0.315) 8.254 22.314 ( 1.171 -6.628 -2.521) 7.187 22.667 ( 2.340 9.066 3.278) 9.920 22.787 ( 1.452 -1.446 -0.854) 2.220 22.914 ( -0.480 3.651 0.983) 3.811 22.981 ( 0.478 -0.177 4.030) 4.062 22.989 ( -2.686 0.578 0.569) 2.806 23.117 ( -0.480 -3.309 -3.108) 4.566 23.777 ( -0.120 1.872 -0.979) 2.116 23.830 ( 0.484 -2.429 -0.798) 2.602 23.971 ( 1.625 0.741 -1.988) 2.672 24.020 ( 1.336 -3.883 -3.194) 5.202 24.253 ( -4.039 3.907 -8.792) 10.435 24.343 ( -2.781 -5.467 -10.606) 12.252 24.848 ( 3.305 0.178 8.059) 8.712 24.889 ( 1.618 -4.269 4.658) 6.522 25.922 ( 0.842 12.926 4.444) 13.695 26.152 ( 1.218 -10.055 -2.409) 10.411 26.715 ( -0.640 0.387 0.186) 0.771 26.723 ( -0.045 -0.238 0.023) 0.243 26.728 ( 0.252 0.464 0.054) 0.531 26.742 ( -0.134 -0.804 -0.262) 0.856 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 15.061 22.873 7.213) 28.320 1.899 ( 14.953 17.126 12.057) 25.735 2.092 ( 9.179 -10.750 -3.811) 14.640 2.335 ( 10.278 -14.824 2.636) 18.230 2.595 ( 12.263 -2.365 -2.380) 12.714 2.662 ( 4.346 -7.374 -1.175) 8.640 2.898 ( -0.517 1.229 -2.553) 2.880 2.965 ( 0.357 1.456 -0.297) 1.529 3.131 ( 5.335 6.086 -3.353) 8.760 3.153 ( -1.755 -0.392 -2.494) 3.074 3.232 ( 6.172 15.075 6.942) 17.708 3.285 ( -0.568 6.970 0.653) 7.023 3.381 ( -7.626 -1.748 -2.901) 8.344 3.457 ( -3.375 -0.332 2.332) 4.116 3.476 ( -1.823 -0.581 2.063) 2.814 3.551 ( 4.041 -3.719 -2.595) 6.074 3.652 ( 3.293 -1.224 5.255) 6.321 3.768 ( 2.453 -4.042 1.363) 4.921 3.826 ( 1.813 1.816 1.501) 2.973 3.873 ( -2.230 2.868 1.226) 3.835 3.918 ( 2.591 1.476 5.827) 6.545 4.018 ( 3.363 10.159 -4.113) 11.464 4.105 ( -8.361 -9.375 -4.530) 13.354 4.293 ( 2.795 0.882 9.684) 10.118 4.314 ( 0.270 4.990 1.182) 5.136 4.425 ( 0.875 -9.783 -4.724) 10.899 4.481 ( 3.179 3.349 1.056) 4.737 4.574 ( -3.155 -1.183 -0.922) 3.493 4.623 ( -0.536 0.279 1.013) 1.180 4.662 ( 3.087 2.739 0.528) 4.161 4.679 ( -0.382 5.106 2.545) 5.718 4.815 ( -0.297 -1.710 2.409) 2.970 4.914 ( 5.206 -5.973 0.972) 7.983 4.943 ( 0.322 -5.579 2.675) 6.195 5.063 ( 1.453 2.953 -3.489) 4.796 5.108 ( 4.540 -2.808 0.190) 5.342 5.207 ( 2.769 2.798 0.720) 4.002 5.240 ( 3.560 -3.555 -2.519) 5.626 5.294 ( -0.990 6.328 3.712) 7.403 5.405 ( 0.679 5.311 -1.587) 5.584 5.459 ( 5.054 0.752 -1.390) 5.296 5.500 ( -1.890 -4.388 -1.800) 5.106 5.573 ( 6.036 0.152 0.641) 6.072 5.609 ( 1.701 -3.594 -4.310) 5.864 5.774 ( 6.359 6.789 -4.735) 10.438 5.855 ( 4.562 0.601 -9.913) 10.929 6.035 ( 3.671 -0.379 0.506) 3.725 6.080 ( 6.087 4.241 -2.104) 7.711 6.111 ( -0.822 2.065 0.848) 2.379 6.155 ( 1.610 -9.246 5.991) 11.134 6.273 ( -6.743 -1.171 0.924) 6.906 6.341 ( -8.009 -9.585 0.510) 12.501 6.608 ( -1.583 2.392 -4.583) 5.407 6.676 ( 2.085 -2.473 -4.091) 5.215 6.768 ( -0.997 -1.642 -8.551) 8.764 6.839 ( 0.338 -6.143 -2.942) 6.819 6.856 ( -6.421 -0.383 -7.497) 9.878 6.921 ( -1.700 -5.998 -5.880) 8.570 7.065 ( -1.578 9.091 -1.289) 9.316 7.188 ( -3.886 1.620 -1.579) 4.496 7.225 ( -4.040 2.126 8.543) 9.687 7.326 ( -4.241 -3.481 7.268) 9.106 7.457 ( -8.279 0.730 8.131) 11.627 7.510 ( -4.669 -1.333 2.205) 5.333 7.716 ( -6.375 7.239 6.416) 11.585 7.790 ( -7.254 0.871 2.685) 7.784 7.833 ( -1.960 0.074 -1.914) 2.741 7.875 ( -6.015 -2.456 1.751) 6.729 7.920 ( 3.301 1.342 -2.968) 4.637 7.982 ( 0.222 -2.367 -0.811) 2.512 8.122 ( -1.588 2.343 4.096) 4.979 8.156 ( -4.129 -0.311 4.895) 6.412 8.303 ( -4.102 5.997 0.518) 7.284 8.408 ( 0.964 -1.452 5.673) 5.935 8.498 ( 1.746 2.514 10.197) 10.646 8.531 ( -5.151 0.419 3.291) 6.127 8.586 ( -3.019 -2.647 2.863) 4.931 8.642 ( -3.274 -7.058 0.404) 7.791 8.839 ( 2.927 4.272 -7.160) 8.836 8.891 ( 1.990 -0.449 -7.706) 7.971 9.081 ( -3.225 3.770 -3.172) 5.889 9.123 ( -6.642 1.494 -4.581) 8.205 9.195 ( -3.721 4.979 3.180) 6.981 9.359 ( 1.406 -8.555 -2.955) 9.160 9.399 ( 0.106 -1.232 0.696) 1.419 9.433 ( -5.517 -4.151 -0.359) 6.914 9.680 ( 0.596 4.332 -1.720) 4.699 9.732 ( 0.419 -0.636 -0.924) 1.198 9.873 ( 0.206 4.583 4.998) 6.784 9.899 ( 2.476 2.566 6.699) 7.589 9.973 ( 5.545 1.103 5.018) 7.559 10.039 ( 4.548 -4.759 -0.639) 6.613 10.148 ( -1.012 5.478 -2.576) 6.138 10.239 ( 2.120 -0.344 -1.365) 2.544 10.313 ( -5.890 -0.254 -5.129) 7.814 10.367 ( -0.705 -3.239 -0.591) 3.367 10.435 ( -1.298 -0.378 0.099) 1.355 10.483 ( -4.338 -3.519 -1.987) 5.929 10.601 ( -0.691 6.371 0.807) 6.459 10.705 ( 0.083 0.104 -2.194) 2.198 10.738 ( -2.891 -1.372 3.241) 4.554 10.794 ( -4.197 1.640 3.042) 5.436 10.899 ( -1.476 -0.806 -3.565) 3.942 10.970 ( -0.718 4.607 1.390) 4.865 11.022 ( -0.174 1.314 2.802) 3.100 11.047 ( -3.472 -10.535 -1.303) 11.169 11.165 ( 6.287 1.524 -5.717) 8.633 11.232 ( 2.418 -3.034 -4.101) 5.645 11.311 ( 6.351 3.831 0.428) 7.430 11.393 ( -0.722 -0.423 0.962) 1.275 11.551 ( -1.661 4.667 -1.393) 5.146 11.673 ( -0.292 -5.108 -4.748) 6.980 11.813 ( 2.886 0.325 1.115) 3.110 11.834 ( 4.477 -2.233 0.695) 5.052 11.945 ( 7.954 0.937 -0.465) 8.023 12.026 ( 9.129 -7.595 -0.471) 11.885 12.312 ( 0.735 5.411 -7.412) 9.206 12.356 ( 5.443 -0.104 -0.570) 5.474 12.388 ( 12.590 0.314 2.685) 12.877 12.431 ( 9.082 -0.788 4.667) 10.242 12.553 ( 5.803 3.604 -6.704) 9.571 12.568 ( 9.876 1.523 -0.777) 10.023 12.712 ( -4.392 -4.399 1.632) 6.427 12.728 ( -1.889 -4.902 -7.514) 9.169 12.833 ( 7.662 2.439 3.540) 8.785 12.908 ( 6.639 -2.348 3.179) 7.726 13.001 ( 1.650 1.171 -4.648) 5.070 13.105 ( 2.936 -6.034 -3.562) 7.597 13.603 ( 1.259 5.142 -1.910) 5.628 13.648 ( 0.183 1.630 3.291) 3.677 13.719 ( 3.167 -1.196 -1.532) 3.716 13.852 ( 7.162 -7.789 3.405) 11.115 14.177 ( -0.166 3.843 6.377) 7.447 14.241 ( -3.710 -0.837 -2.115) 4.351 14.364 ( 2.003 5.162 0.736) 5.586 14.427 ( 6.213 -1.203 6.006) 8.725 14.616 ( 1.417 4.821 -1.319) 5.196 14.726 ( 3.389 -5.199 2.644) 6.746 14.787 ( 5.485 4.929 -11.287) 13.482 14.911 ( 0.738 -7.035 -7.729) 10.477 15.283 ( -5.404 2.644 2.940) 6.696 15.335 ( -4.373 -1.831 2.043) 5.162 15.623 ( -2.250 5.969 -4.469) 7.789 15.709 ( -2.503 -3.294 -3.933) 5.708 16.098 ( -2.741 9.392 8.846) 13.190 16.300 ( -1.076 -9.001 8.399) 12.358 16.483 ( -3.596 5.747 3.546) 7.651 16.600 ( -6.365 -5.792 0.631) 8.629 16.810 ( -5.175 0.846 2.369) 5.754 16.862 ( -3.709 -4.158 0.223) 5.577 16.951 ( -7.204 2.096 -2.672) 7.965 16.986 ( -5.998 -1.426 -2.173) 6.536 20.764 ( 3.823 3.246 -0.462) 5.036 20.829 ( 3.873 -2.004 -2.631) 5.093 20.857 ( 1.126 0.274 0.412) 1.230 20.907 ( 2.559 -3.492 -0.987) 4.441 21.794 ( -0.608 2.260 3.350) 4.086 21.837 ( -0.579 -2.089 4.397) 4.902 22.205 ( 2.795 7.882 0.456) 8.375 22.338 ( 2.604 -5.420 -2.259) 6.423 22.742 ( 2.007 9.620 2.613) 10.168 22.805 ( 0.861 2.592 -0.628) 2.803 22.909 ( -0.607 4.987 0.045) 5.024 22.931 ( -1.907 -0.260 -2.182) 2.909 23.048 ( 3.249 -3.012 4.717) 6.472 23.082 ( -0.810 0.660 -0.589) 1.200 23.748 ( -3.227 -2.902 -1.011) 4.456 23.809 ( -2.356 -5.996 -3.406) 7.287 23.986 ( -0.238 1.696 -0.022) 1.712 24.013 ( -1.727 -0.789 0.325) 1.927 24.139 ( -0.595 2.183 -6.388) 6.777 24.216 ( -0.873 -5.856 -10.416) 11.981 24.841 ( -6.661 0.166 7.331) 9.907 24.868 ( -4.968 -2.787 4.714) 7.394 25.836 ( -11.913 9.398 4.155) 15.732 25.978 ( -14.813 -4.399 -1.616) 15.536 26.756 ( 3.166 0.541 0.196) 3.218 26.767 ( 3.663 -0.550 0.182) 3.708 26.794 ( 5.611 0.307 -0.296) 5.628 26.823 ( 7.601 -2.747 -1.577) 8.235 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 22.361 14.663 7.764) 27.844 2.268 ( 17.541 -2.220 -0.809) 17.700 2.383 ( 17.515 13.304 11.632) 24.882 2.583 ( 12.021 -8.269 0.166) 14.592 2.735 ( 5.374 -4.814 -0.090) 7.216 2.830 ( -0.403 0.101 -5.001) 5.018 2.853 ( 9.180 -6.838 0.270) 11.450 2.955 ( -6.258 -5.006 -1.837) 8.222 3.059 ( -0.078 1.032 -5.420) 5.518 3.117 ( 2.525 -4.847 -3.681) 6.589 3.223 ( -6.612 1.208 -1.150) 6.819 3.274 ( -0.211 -3.355 -2.204) 4.019 3.296 ( -5.962 4.919 0.120) 7.730 3.396 ( -3.743 -5.247 -1.086) 6.536 3.472 ( -1.246 4.954 0.622) 5.146 3.512 ( -6.641 1.211 -2.400) 7.164 3.611 ( -7.607 0.335 1.564) 7.773 3.697 ( -3.367 -6.834 -4.307) 8.751 3.851 ( -0.034 3.030 2.197) 3.743 3.892 ( -3.972 0.428 -2.386) 4.653 4.062 ( 10.680 -0.798 5.111) 11.867 4.070 ( 7.571 -0.621 6.517) 10.009 4.211 ( 0.181 5.256 0.617) 5.295 4.258 ( -3.752 -0.660 -1.779) 4.205 4.390 ( 9.034 7.119 8.770) 14.464 4.523 ( 5.436 -0.590 5.118) 7.489 4.530 ( 2.859 5.953 -1.284) 6.728 4.587 ( 2.150 11.145 -2.097) 11.542 4.630 ( 2.548 -0.553 1.152) 2.850 4.735 ( 0.994 -0.281 0.479) 1.139 4.780 ( 0.760 3.269 5.907) 6.794 4.873 ( 10.356 -1.092 2.878) 10.804 4.938 ( 2.835 6.366 2.719) 7.481 5.002 ( 3.288 -0.896 3.119) 4.620 5.093 ( 4.317 1.455 -2.306) 5.106 5.181 ( 2.229 -2.616 -0.148) 3.440 5.267 ( 3.089 3.210 -4.506) 6.336 5.274 ( -3.357 0.209 0.488) 3.399 5.332 ( 2.957 -2.573 -0.347) 3.935 5.398 ( 5.830 -7.238 0.668) 9.318 5.535 ( 10.020 -4.562 1.681) 11.137 5.573 ( 4.446 -6.637 -1.865) 8.203 5.621 ( 1.356 7.654 1.514) 7.919 5.717 ( 4.364 -0.433 -3.769) 5.782 5.819 ( -1.960 1.432 -3.406) 4.182 5.909 ( 4.507 -3.116 -6.725) 8.674 5.959 ( -9.999 1.866 3.063) 10.623 6.010 ( -5.670 -2.144 2.946) 6.740 6.109 ( 5.647 3.025 -3.036) 7.089 6.199 ( -2.401 -4.313 -1.221) 5.086 6.291 ( 6.704 3.819 -8.141) 11.216 6.422 ( 8.897 -8.177 -2.230) 12.288 6.514 ( -1.661 5.507 -10.411) 11.894 6.669 ( -0.644 -6.262 -4.984) 8.029 6.696 ( -2.291 4.173 -0.282) 4.769 6.754 ( 3.058 0.089 -2.937) 4.241 6.883 ( 1.294 -2.861 4.108) 5.170 6.902 ( -0.645 -1.278 -3.837) 4.095 6.936 ( -3.213 5.003 -3.333) 6.817 7.062 ( -6.751 -0.368 -2.853) 7.338 7.187 ( -6.394 6.842 6.711) 11.521 7.293 ( -10.941 -2.887 5.722) 12.680 7.337 ( -2.845 0.079 7.737) 8.244 7.425 ( -4.280 -5.161 5.645) 8.764 7.534 ( -11.033 7.035 0.993) 13.123 7.662 ( -8.193 -0.121 1.373) 8.308 7.686 ( -10.081 -0.488 -1.838) 10.259 7.784 ( -5.844 -7.167 0.854) 9.287 7.888 ( -6.125 2.050 1.607) 6.656 7.917 ( -2.497 -0.550 -0.766) 2.669 8.090 ( -3.850 5.150 -1.967) 6.724 8.160 ( -1.726 -1.810 -0.551) 2.561 8.216 ( -2.847 5.642 2.062) 6.648 8.349 ( -3.690 -4.380 4.409) 7.227 8.457 ( -1.761 -0.276 4.809) 5.129 8.504 ( -4.565 -6.018 5.813) 9.532 8.624 ( 1.857 4.978 4.073) 6.694 8.652 ( 1.834 0.980 2.020) 2.899 8.888 ( 4.340 0.132 -5.436) 6.957 8.930 ( 1.703 -3.203 -2.972) 4.690 8.991 ( -3.937 2.518 0.983) 4.776 9.012 ( -2.447 0.518 -1.495) 2.914 9.146 ( -2.351 6.637 4.061) 8.129 9.316 ( -4.852 -8.952 3.233) 10.683 9.343 ( -1.852 0.105 -1.440) 2.348 9.390 ( 0.824 -4.761 -5.338) 7.200 9.673 ( -1.821 3.270 -2.970) 4.778 9.726 ( -1.421 -2.345 -1.613) 3.181 9.874 ( -3.442 4.051 3.830) 6.552 9.928 ( -1.833 -0.055 2.665) 3.235 10.029 ( 3.582 5.990 -2.883) 7.551 10.105 ( 0.576 -2.205 -5.603) 6.049 10.189 ( -1.851 4.400 -3.329) 5.820 10.233 ( 3.926 -1.382 -2.525) 4.868 10.297 ( 2.877 3.953 3.462) 5.991 10.341 ( 2.812 -0.063 2.910) 4.047 10.427 ( 0.845 -2.482 -0.805) 2.742 10.521 ( 3.755 -9.236 4.276) 10.848 10.596 ( -0.967 4.514 0.964) 4.716 10.665 ( -2.624 -1.280 0.822) 3.034 10.696 ( -1.535 3.279 5.514) 6.596 10.716 ( -4.683 1.687 6.491) 8.180 10.840 ( -2.636 -1.272 -3.600) 4.639 10.941 ( -4.515 -7.534 -0.736) 8.814 11.026 ( 4.055 1.076 1.831) 4.578 11.084 ( 3.364 -2.214 2.680) 4.837 11.225 ( 1.791 4.974 -1.124) 5.405 11.301 ( 4.113 -0.506 -2.054) 4.625 11.388 ( 0.729 3.576 -1.462) 3.932 11.460 ( 2.007 -3.204 -1.617) 4.112 11.498 ( 2.284 5.091 -4.269) 7.025 11.653 ( 3.492 -8.579 -5.550) 10.798 11.853 ( 1.255 0.236 -1.995) 2.369 11.905 ( 2.655 -4.474 1.395) 5.386 12.066 ( 3.301 3.160 -0.194) 4.574 12.116 ( 1.803 0.050 0.038) 1.804 12.261 ( -1.574 2.803 -3.186) 4.526 12.398 ( -0.748 -6.858 0.380) 6.909 12.528 ( -2.497 6.078 0.446) 6.586 12.545 ( 0.555 5.519 -4.006) 6.842 12.695 ( 1.811 -6.846 -4.292) 8.281 12.726 ( 6.595 -5.480 3.346) 9.204 12.752 ( 10.919 1.918 3.915) 11.757 12.817 ( 16.890 -2.676 3.483) 17.451 12.949 ( 4.099 6.436 -5.406) 9.352 13.061 ( 3.600 -3.536 -7.206) 8.797 13.154 ( 12.201 0.231 -0.866) 12.234 13.222 ( 15.038 -5.396 -0.071) 15.976 13.673 ( 7.299 -0.167 -2.108) 7.599 13.680 ( 6.000 -1.119 3.622) 7.098 13.828 ( 5.918 6.695 -0.513) 8.950 13.994 ( 3.780 -7.793 -0.443) 8.673 14.137 ( -3.117 3.760 -1.820) 5.213 14.178 ( -0.082 -0.596 -0.415) 0.731 14.415 ( 0.818 9.162 -2.499) 9.532 14.572 ( 1.965 -0.913 2.571) 3.362 14.601 ( -1.988 1.291 -0.500) 2.423 14.736 ( -4.962 -5.746 1.480) 7.735 14.853 ( 5.465 -0.382 -2.098) 5.866 14.890 ( 3.037 -3.747 -0.942) 4.914 15.225 ( -2.472 4.271 5.261) 7.213 15.303 ( -0.561 -2.716 2.573) 3.784 15.529 ( -4.083 4.227 -4.549) 7.432 15.586 ( -7.839 -1.763 -4.386) 9.153 16.061 ( -4.537 9.983 3.598) 11.541 16.278 ( -4.238 -10.018 3.163) 11.328 16.413 ( -5.305 3.383 1.307) 6.426 16.465 ( -7.096 -2.084 2.350) 7.760 16.699 ( -7.266 1.921 1.398) 7.645 16.759 ( -7.377 -3.084 -0.112) 7.996 16.790 ( -5.302 2.511 -0.685) 5.906 16.866 ( -3.369 -4.751 -2.211) 6.230 20.851 ( 5.014 1.066 -0.630) 5.164 20.887 ( 3.053 -2.121 -0.699) 3.783 20.906 ( 3.791 1.353 -1.564) 4.318 20.970 ( 3.316 -4.592 0.416) 5.680 21.813 ( 0.149 2.599 3.701) 4.525 21.862 ( 0.011 -2.362 4.899) 5.439 22.275 ( 3.583 6.602 0.736) 7.548 22.366 ( 1.173 -2.314 -2.927) 3.912 22.722 ( -1.837 9.467 -3.420) 10.232 22.836 ( 0.882 0.055 -0.492) 1.012 22.889 ( -0.430 7.586 -0.682) 7.629 22.905 ( -0.588 6.101 1.704) 6.362 23.106 ( 3.993 0.336 1.699) 4.352 23.188 ( 7.097 -6.952 5.782) 11.495 23.628 ( -8.396 -7.668 0.909) 11.407 23.661 ( -9.029 -8.951 -6.947) 14.489 23.945 ( -2.567 0.813 -1.628) 3.147 23.952 ( -2.634 -0.162 -1.499) 3.035 24.163 ( 4.063 3.396 -3.269) 6.223 24.227 ( 5.331 -3.367 -5.556) 8.404 24.763 ( -4.526 3.519 6.737) 8.846 24.827 ( -1.123 -3.123 5.290) 6.245 25.556 ( -17.496 5.898 2.693) 18.658 25.628 ( -18.294 -1.300 -2.898) 18.567 26.828 ( 3.601 0.853 0.240) 3.709 26.848 ( 3.955 -1.090 0.286) 4.112 26.906 ( 5.226 0.853 -0.105) 5.297 26.946 ( 5.599 -3.225 -1.702) 6.682 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 17.530 7.764 4.553) 19.706 2.601 ( 12.467 1.642 0.900) 12.607 2.712 ( 0.594 3.168 -3.613) 4.841 2.753 ( -5.156 -0.931 -1.751) 5.524 2.764 ( 3.916 0.207 2.325) 4.559 2.803 ( 5.372 -3.584 1.714) 6.682 2.869 ( 3.711 0.643 9.277) 10.012 2.954 ( -2.454 -3.514 2.370) 4.898 3.005 ( -9.009 -0.064 -0.584) 9.028 3.102 ( -0.349 -6.759 1.298) 6.891 3.175 ( -1.425 -0.055 1.187) 1.855 3.194 ( -1.472 -3.379 2.348) 4.370 3.239 ( 2.279 -1.204 -0.343) 2.600 3.350 ( -1.045 -7.008 -0.036) 7.085 3.408 ( 2.267 0.331 -1.160) 2.568 3.421 ( 0.784 1.277 -0.571) 1.603 3.534 ( -0.276 2.354 -4.094) 4.731 3.638 ( 2.516 -8.208 -5.386) 10.135 3.840 ( -1.965 6.908 6.392) 9.615 3.918 ( 4.416 0.896 -2.305) 5.061 4.018 ( -7.274 -0.035 0.309) 7.281 4.065 ( -5.303 -5.278 -1.596) 7.650 4.314 ( -0.204 0.786 -0.360) 0.888 4.323 ( 3.827 -1.104 -1.138) 4.142 4.455 ( -3.882 8.945 -6.706) 11.834 4.563 ( -3.477 5.519 0.551) 6.546 4.589 ( 0.645 -2.195 -1.642) 2.816 4.617 ( 5.501 4.127 3.209) 7.589 4.680 ( 2.612 -1.374 0.822) 3.064 4.703 ( 2.369 -1.338 5.522) 6.156 4.889 ( -0.387 5.115 2.877) 5.882 4.991 ( 0.747 1.005 12.259) 12.323 5.093 ( 0.059 10.211 1.682) 10.349 5.125 ( 5.927 2.235 1.322) 6.471 5.187 ( 2.111 0.942 7.215) 7.576 5.200 ( -3.271 2.579 -0.288) 4.176 5.302 ( 2.614 4.300 -1.571) 5.271 5.350 ( 13.547 0.204 -2.267) 13.736 5.406 ( 0.059 -0.176 1.275) 1.288 5.516 ( 6.035 8.787 -5.451) 11.972 5.547 ( -5.001 5.381 1.454) 7.488 5.643 ( 0.970 3.928 -3.941) 5.648 5.655 ( 2.164 -11.350 0.258) 11.557 5.699 ( -0.856 -6.386 -2.247) 6.823 5.765 ( -3.630 -8.098 0.872) 8.917 5.855 ( 1.236 -12.431 -1.623) 12.598 5.938 ( 2.514 5.978 0.227) 6.489 6.040 ( 2.336 -1.315 0.411) 2.712 6.198 ( 6.736 1.619 -7.388) 10.128 6.223 ( 2.623 2.967 -10.276) 11.013 6.278 ( 1.829 3.947 0.941) 4.451 6.415 ( 1.308 -4.906 0.253) 5.084 6.497 ( 3.789 8.664 -7.916) 12.333 6.635 ( -3.955 -0.804 -5.379) 6.725 6.699 ( -2.235 -0.488 -1.103) 2.540 6.730 ( -5.037 1.372 2.283) 5.698 6.838 ( 5.514 4.968 -4.480) 8.669 6.865 ( -2.949 4.367 0.969) 5.358 6.956 ( -2.899 -2.814 -1.793) 4.421 6.991 ( 2.700 -5.280 -3.141) 6.711 7.136 ( -0.645 -0.065 4.842) 4.886 7.172 ( -5.943 -2.977 4.764) 8.178 7.297 ( -3.364 2.381 4.899) 6.401 7.355 ( -4.308 -1.755 4.943) 6.788 7.419 ( -1.621 3.419 -0.534) 3.821 7.500 ( -5.821 -0.758 1.729) 6.119 7.547 ( -3.786 -0.056 0.461) 3.814 7.609 ( -9.236 -5.334 -0.069) 10.666 7.793 ( -3.839 7.066 2.621) 8.457 7.940 ( 3.015 -5.357 0.159) 6.149 8.019 ( -1.747 0.611 1.299) 2.261 8.047 ( -5.815 -3.364 -0.840) 6.770 8.221 ( 0.644 0.924 1.904) 2.212 8.330 ( -2.105 -9.198 2.399) 9.736 8.508 ( 3.006 2.092 4.569) 5.855 8.540 ( 1.497 -0.606 7.293) 7.469 8.609 ( -1.639 6.428 -0.075) 6.634 8.704 ( -0.715 -2.208 0.691) 2.422 8.888 ( -0.430 0.765 -1.831) 2.031 8.917 ( 0.297 3.757 -1.017) 3.904 8.942 ( 2.704 -2.838 -3.750) 5.425 9.010 ( -1.075 -4.286 1.836) 4.785 9.143 ( -2.439 4.169 5.816) 7.560 9.237 ( -4.492 -5.274 4.207) 8.105 9.357 ( 3.018 1.025 -1.561) 3.549 9.403 ( 3.930 -3.340 -5.040) 7.212 9.589 ( -4.510 4.017 -0.888) 6.105 9.641 ( -5.401 -0.903 0.397) 5.490 9.851 ( -0.915 3.038 3.703) 4.876 9.917 ( 0.441 -2.105 -0.256) 2.166 10.022 ( 0.351 2.518 -9.024) 9.376 10.068 ( 0.797 -2.690 -7.695) 8.190 10.164 ( 1.460 5.453 -2.777) 6.291 10.258 ( 1.101 2.438 -2.603) 3.733 10.367 ( 0.954 3.830 2.703) 4.784 10.417 ( 1.398 2.787 4.405) 5.397 10.460 ( -1.371 -2.860 1.500) 3.509 10.530 ( -1.464 -4.685 3.284) 5.906 10.577 ( -0.682 3.223 -0.254) 3.305 10.640 ( -2.186 -2.401 -1.391) 3.532 10.722 ( -1.707 -0.525 6.004) 6.264 10.748 ( -3.803 -0.869 3.194) 5.042 10.810 ( 3.804 1.042 9.116) 9.933 10.875 ( 0.362 -6.695 2.582) 7.185 11.147 ( 2.460 -0.153 1.706) 2.997 11.151 ( 5.982 -0.872 1.688) 6.277 11.254 ( 0.151 3.169 -3.111) 4.443 11.273 ( -2.778 1.767 -3.042) 4.483 11.413 ( 2.668 -0.527 -0.173) 2.725 11.442 ( 1.235 -1.713 -1.698) 2.710 11.570 ( 3.264 5.237 -3.100) 6.906 11.698 ( 4.638 -6.028 -4.920) 9.059 11.852 ( -0.480 0.419 -4.015) 4.065 11.920 ( -2.875 -6.256 -1.699) 7.092 12.064 ( -0.882 4.261 1.587) 4.632 12.153 ( 0.896 -4.140 1.882) 4.635 12.241 ( 1.289 3.790 0.051) 4.004 12.351 ( -1.938 -5.827 -1.326) 6.282 12.492 ( -0.588 4.610 -1.873) 5.011 12.524 ( -1.449 0.606 -2.445) 2.906 12.717 ( 1.542 -5.272 -0.227) 5.497 12.753 ( 0.076 -7.509 0.389) 7.519 12.918 ( 1.187 5.863 -3.679) 7.023 13.006 ( 2.568 -2.298 0.424) 3.473 13.057 ( 3.473 4.474 -1.474) 5.852 13.143 ( 8.049 -2.328 3.547) 9.099 13.368 ( 8.667 4.448 -3.542) 10.365 13.456 ( 8.963 -3.974 -3.376) 10.369 13.799 ( 3.939 8.011 -6.154) 10.843 13.889 ( 7.695 1.719 0.661) 7.912 13.905 ( 1.346 0.730 -3.204) 3.551 13.995 ( 0.292 -7.051 -1.946) 7.320 14.136 ( 2.903 2.616 3.509) 5.252 14.243 ( 5.306 -5.552 2.004) 7.937 14.355 ( -1.000 6.367 -0.119) 6.447 14.474 ( -8.905 -3.932 1.725) 9.886 14.550 ( -1.352 4.041 -0.074) 4.262 14.652 ( -3.294 -5.989 -2.339) 7.224 14.956 ( 1.551 1.521 8.120) 8.405 14.994 ( 3.702 -2.285 6.460) 7.788 15.251 ( -0.002 4.241 1.155) 4.395 15.315 ( -5.367 -1.986 -0.664) 5.761 15.392 ( -0.175 2.407 -4.772) 5.348 15.423 ( -1.756 -0.775 -3.843) 4.296 15.994 ( -3.225 9.938 0.925) 10.489 16.207 ( -3.725 -10.830 -0.014) 11.453 16.316 ( -3.566 3.003 -0.318) 4.673 16.370 ( -4.084 -2.145 1.110) 4.745 16.586 ( -3.286 2.119 -0.296) 3.921 16.623 ( -3.908 -0.808 -2.746) 4.844 16.746 ( -1.026 1.387 2.489) 3.029 16.825 ( -0.169 -5.396 -0.774) 5.454 20.920 ( 1.828 0.399 -0.632) 1.974 20.951 ( 1.795 -2.669 -0.079) 3.217 20.957 ( 3.023 1.564 -0.088) 3.405 21.027 ( 2.111 -5.522 0.827) 5.969 21.844 ( 0.121 2.707 4.890) 5.591 21.895 ( -0.538 -2.351 6.277) 6.724 22.315 ( -1.091 3.498 -3.809) 5.285 22.346 ( 0.928 1.137 -2.627) 3.010 22.697 ( 1.184 10.797 -0.723) 10.885 22.845 ( 0.465 2.854 -0.880) 3.023 22.874 ( 0.386 3.225 -0.756) 3.335 22.917 ( -0.347 6.088 3.547) 7.054 23.247 ( 7.769 2.721 1.948) 8.459 23.369 ( -0.640 -5.457 -1.879) 5.807 23.435 ( -3.530 -7.402 -1.425) 8.324 23.472 ( -5.180 -13.792 7.643) 16.597 23.891 ( -0.869 1.003 -3.369) 3.621 23.908 ( -0.798 -0.982 -2.387) 2.702 24.172 ( -0.068 5.489 -7.838) 9.569 24.273 ( 2.527 -5.092 -7.810) 9.660 24.777 ( -0.008 8.477 8.053) 11.692 24.901 ( 2.382 -4.243 7.324) 8.793 25.246 ( -12.990 4.144 -0.492) 13.644 25.303 ( -8.734 -1.937 -3.864) 9.745 26.883 ( 1.490 0.944 0.227) 1.778 26.907 ( 1.509 -1.376 0.025) 2.042 26.979 ( 1.989 0.973 0.094) 2.216 27.015 ( 2.351 -2.673 -0.901) 3.672 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -20.056 11.255 2.868) 23.176 2.472 ( -20.144 7.416 -1.374) 21.510 2.626 ( -8.618 -7.763 5.721) 12.933 2.646 ( -12.184 -9.247 -3.672) 15.730 2.803 ( -3.448 -0.880 -0.921) 3.676 2.839 ( -0.470 -3.980 1.424) 4.253 2.933 ( 6.226 2.940 3.339) 7.652 2.998 ( 2.837 -3.677 1.447) 4.864 3.086 ( -0.212 -1.336 -1.239) 1.834 3.122 ( 1.526 -4.437 0.566) 4.726 3.186 ( 10.664 4.482 5.495) 12.807 3.277 ( 1.406 1.769 2.723) 3.539 3.351 ( 6.493 1.133 2.310) 6.985 3.365 ( 7.947 -5.161 0.872) 9.516 3.484 ( 4.896 4.412 -2.626) 7.094 3.573 ( 6.723 1.461 7.356) 10.072 3.645 ( 8.594 -2.482 5.868) 10.698 3.686 ( 3.856 -8.545 -3.599) 10.042 3.829 ( -0.532 5.097 3.889) 6.433 3.886 ( -4.738 1.730 -2.369) 5.573 3.940 ( -3.999 -1.694 -10.060) 10.958 3.985 ( -0.384 -6.135 -2.411) 6.603 4.221 ( -6.288 -0.824 -0.396) 6.354 4.231 ( -2.953 -1.338 -0.155) 3.246 4.363 ( -4.069 5.125 -7.801) 10.182 4.460 ( -2.498 -2.979 -7.391) 8.351 4.606 ( -0.224 0.743 2.357) 2.481 4.617 ( -9.470 4.683 2.402) 10.834 4.701 ( -3.703 9.003 2.927) 10.166 4.816 ( -3.137 5.956 6.005) 9.021 4.883 ( -3.328 11.149 3.724) 12.216 4.946 ( -5.624 4.350 4.848) 8.606 4.999 ( -6.343 3.547 -4.390) 8.490 5.113 ( -3.558 -5.206 6.034) 8.728 5.171 ( 0.543 2.191 3.908) 4.513 5.235 ( 2.063 -4.525 4.322) 6.589 5.324 ( -2.276 8.338 -1.003) 8.701 5.387 ( -0.292 0.970 1.725) 2.000 5.463 ( -1.467 0.870 -2.268) 2.837 5.486 ( -8.950 -6.349 0.442) 10.983 5.569 ( 6.221 1.640 0.048) 6.434 5.641 ( 0.437 3.753 -0.340) 3.794 5.677 ( 3.426 -2.518 -0.177) 4.256 5.718 ( 1.022 -2.680 1.309) 3.153 5.758 ( -3.795 -4.533 -4.733) 7.573 5.777 ( -0.410 -4.369 -2.296) 4.952 5.991 ( -0.961 -0.175 1.505) 1.794 6.052 ( 1.267 -3.274 -2.989) 4.611 6.171 ( 1.809 3.742 -12.158) 12.849 6.219 ( 2.598 -1.124 -2.135) 3.546 6.394 ( -6.901 5.816 -1.573) 9.161 6.471 ( 8.015 -0.264 -5.881) 9.945 6.564 ( 0.915 1.579 -0.532) 1.901 6.623 ( 6.313 -4.437 -0.059) 7.716 6.684 ( 4.950 0.516 -0.197) 4.981 6.695 ( 4.581 0.265 1.779) 4.921 6.801 ( -0.478 7.927 0.305) 7.947 6.915 ( 2.085 1.756 -3.936) 4.788 6.945 ( 4.512 2.882 -4.794) 7.187 7.015 ( -3.417 0.739 5.152) 6.226 7.042 ( -3.556 -1.106 -1.077) 3.876 7.135 ( -1.720 -6.717 -1.145) 7.028 7.304 ( -0.654 1.727 3.293) 3.775 7.355 ( -0.562 -3.186 4.782) 5.774 7.417 ( 3.563 3.360 0.447) 4.918 7.491 ( 1.706 -2.106 0.145) 2.714 7.530 ( 6.530 2.798 0.042) 7.104 7.644 ( 9.864 -5.440 1.937) 11.430 7.778 ( 1.084 6.109 3.259) 7.009 7.938 ( -3.214 -6.110 -1.411) 7.046 8.006 ( 1.794 -1.351 3.556) 4.206 8.036 ( 1.622 -0.491 0.603) 1.799 8.270 ( 2.659 -0.612 3.158) 4.173 8.337 ( 1.768 -6.760 0.769) 7.030 8.497 ( -4.108 4.829 1.510) 6.517 8.561 ( -2.326 0.761 3.897) 4.602 8.648 ( -1.775 1.019 2.714) 3.399 8.676 ( -0.367 -2.893 3.713) 4.721 8.888 ( 0.880 5.629 3.840) 6.871 8.964 ( 4.835 1.238 -2.124) 5.424 8.997 ( 0.484 -3.764 3.180) 4.951 9.023 ( 5.518 -5.091 -2.896) 8.047 9.125 ( -2.472 2.661 4.976) 6.161 9.193 ( -3.829 -4.143 5.452) 7.846 9.371 ( 0.000 1.896 -6.290) 6.570 9.421 ( 0.144 -3.047 -5.672) 6.441 9.542 ( 1.654 3.358 -2.956) 4.769 9.574 ( -1.035 0.121 -2.227) 2.459 9.884 ( 0.898 4.374 4.458) 6.309 9.926 ( 0.244 0.424 -2.345) 2.396 9.972 ( 0.967 2.412 -8.115) 8.521 10.054 ( 0.985 -4.530 0.757) 4.697 10.179 ( 1.207 2.777 -2.093) 3.681 10.248 ( 0.587 -0.640 -3.275) 3.388 10.371 ( -2.968 3.622 -1.904) 5.055 10.442 ( 2.997 5.958 5.099) 8.395 10.469 ( -0.020 -4.479 4.224) 6.156 10.510 ( -2.808 -2.426 -0.773) 3.791 10.551 ( -2.189 1.170 0.899) 2.640 10.579 ( -1.240 -0.876 -0.292) 1.546 10.689 ( -1.444 -1.145 2.974) 3.499 10.731 ( 0.534 -2.859 4.806) 5.618 10.945 ( 0.724 0.250 7.554) 7.593 10.968 ( 3.975 -0.402 4.957) 6.367 11.134 ( -3.967 1.440 2.206) 4.763 11.151 ( -5.305 1.095 0.536) 5.444 11.274 ( 2.587 2.403 0.135) 3.533 11.296 ( 5.295 -0.665 -1.306) 5.495 11.419 ( -2.110 -2.457 -0.983) 3.384 11.461 ( 2.366 -5.759 -3.959) 7.378 11.618 ( 2.547 9.571 -1.106) 9.965 11.726 ( -4.100 -0.051 -7.714) 8.736 11.786 ( -8.032 -4.679 -1.922) 9.492 11.811 ( 6.000 -6.784 -1.192) 9.135 12.087 ( 1.619 5.024 0.696) 5.324 12.202 ( 2.158 -4.700 3.327) 6.150 12.266 ( -0.605 1.145 0.301) 1.330 12.325 ( 0.113 -4.083 -3.145) 5.155 12.471 ( 0.240 1.896 -4.317) 4.721 12.497 ( 1.387 -0.285 -0.948) 1.704 12.715 ( -2.035 -2.317 -0.332) 3.101 12.760 ( 0.613 -5.969 -0.142) 6.002 12.881 ( -4.353 2.657 -2.212) 5.559 12.933 ( -6.160 -2.071 -5.274) 8.370 13.088 ( -1.785 5.824 3.077) 6.825 13.193 ( -2.893 -4.439 1.347) 5.467 13.419 ( -3.343 5.346 -2.085) 6.641 13.481 ( -6.418 -0.551 -3.445) 7.305 13.697 ( -6.427 6.302 -1.694) 9.159 13.825 ( -7.070 -6.532 0.100) 9.626 13.944 ( 3.392 7.069 -7.590) 10.913 14.018 ( -8.733 0.705 -2.232) 9.041 14.048 ( -0.126 0.044 3.495) 3.497 14.218 ( -3.253 -10.408 -1.394) 10.994 14.453 ( -1.346 6.722 0.779) 6.900 14.559 ( -4.571 -4.240 -3.029) 6.932 14.599 ( 10.043 2.456 6.156) 12.033 14.672 ( 14.799 -1.833 9.460) 17.659 15.003 ( 0.782 1.510 2.569) 3.081 15.051 ( -0.410 -3.709 2.037) 4.252 15.101 ( -6.525 5.740 -0.215) 8.693 15.209 ( -3.839 -5.568 -3.255) 7.506 15.499 ( 8.152 2.408 -1.172) 8.581 15.507 ( 8.286 1.102 -0.808) 8.398 15.951 ( -2.331 9.101 1.531) 9.519 16.132 ( -3.076 -7.811 -2.474) 8.751 16.304 ( 1.948 -0.976 0.005) 2.179 16.322 ( 0.558 -3.397 -1.243) 3.660 16.587 ( 3.540 2.434 -0.536) 4.329 16.610 ( 4.159 0.235 -1.100) 4.308 16.763 ( 1.347 1.953 1.564) 2.842 16.842 ( 2.053 -5.437 -0.255) 5.818 20.917 ( -1.730 0.310 -0.106) 1.761 20.940 ( -2.245 -1.993 -0.419) 3.031 20.993 ( -0.172 0.946 0.569) 1.117 21.066 ( 0.894 -6.658 1.218) 6.827 21.874 ( -1.076 2.125 6.348) 6.780 21.911 ( -2.553 -1.696 7.431) 8.038 22.238 ( -2.120 6.505 -5.381) 8.704 22.343 ( 0.720 -4.160 -4.339) 6.054 22.736 ( 0.857 12.584 -0.105) 12.614 22.807 ( -0.426 8.838 -1.896) 9.049 22.929 ( -0.783 1.090 3.721) 3.956 22.952 ( 4.401 -4.971 3.711) 7.606 23.123 ( -10.340 -1.806 -5.431) 11.818 23.271 ( -7.967 -9.490 1.088) 12.439 23.500 ( 11.467 9.361 5.255) 15.708 23.726 ( 12.639 -11.081 8.758) 18.954 23.876 ( 1.839 0.923 -2.518) 3.252 23.890 ( 0.775 -0.882 -3.037) 3.256 24.082 ( -1.620 6.918 -12.302) 14.207 24.232 ( 0.920 -8.656 -11.350) 14.303 24.735 ( -9.237 7.459 6.842) 13.703 24.844 ( -11.154 -3.917 6.585) 13.532 25.222 ( 11.297 9.080 -2.004) 14.632 25.362 ( 13.477 -5.330 -1.098) 14.534 26.882 ( -1.731 0.730 0.274) 1.898 26.901 ( -1.997 -1.058 -0.202) 2.269 26.981 ( -1.777 1.313 0.101) 2.212 27.027 ( -0.738 -3.286 -0.567) 3.415 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -23.824 18.509 1.177) 30.192 2.069 ( -20.533 18.374 4.395) 27.902 2.361 ( -13.587 -14.329 -4.607) 20.277 2.475 ( -10.175 -15.680 7.166) 20.019 2.671 ( -6.069 2.735 -1.454) 6.813 2.793 ( -5.365 -11.474 0.371) 12.672 2.939 ( -6.070 8.241 1.475) 10.341 3.044 ( -2.005 -1.093 -4.240) 4.816 3.073 ( 3.290 0.177 -0.930) 3.423 3.155 ( -2.304 -4.294 0.926) 4.961 3.317 ( -0.501 2.391 -0.285) 2.459 3.362 ( -3.797 7.122 0.620) 8.095 3.378 ( 2.541 1.781 1.975) 3.678 3.446 ( 3.346 -3.626 -1.479) 5.150 3.582 ( 0.795 1.529 1.727) 2.440 3.607 ( -8.402 -3.106 -4.815) 10.170 3.751 ( 9.703 7.676 5.305) 13.462 3.757 ( -2.506 0.528 2.941) 3.899 3.766 ( -6.531 -1.436 -6.299) 9.187 3.830 ( 8.868 -0.434 3.227) 9.447 4.011 ( -5.226 2.500 -1.589) 6.007 4.025 ( 8.830 -2.479 2.279) 9.451 4.082 ( 2.773 -0.795 1.781) 3.390 4.199 ( -10.816 4.559 -5.393) 12.917 4.234 ( 0.234 -7.088 0.529) 7.112 4.322 ( 3.165 -1.656 -1.307) 3.803 4.436 ( -5.875 6.636 1.799) 9.044 4.611 ( -5.617 -0.040 -0.284) 5.624 4.672 ( -2.709 5.392 -1.002) 6.117 4.741 ( -1.084 3.113 1.762) 3.738 4.786 ( -5.724 0.060 0.055) 5.725 4.848 ( -7.985 -2.963 4.345) 9.561 4.931 ( -3.733 3.652 4.318) 6.776 5.056 ( -4.397 -9.378 2.686) 10.700 5.141 ( -5.775 7.427 1.249) 9.491 5.208 ( -6.847 -2.313 0.218) 7.230 5.284 ( -1.962 7.329 2.399) 7.958 5.356 ( -1.646 -0.248 4.625) 4.916 5.404 ( -1.431 -2.995 1.419) 3.610 5.422 ( -2.369 -6.764 1.924) 7.421 5.593 ( -4.711 6.409 -2.178) 8.247 5.659 ( 3.001 -0.899 -0.923) 3.266 5.680 ( 2.138 5.111 -4.500) 7.137 5.736 ( 1.443 0.180 -6.000) 6.174 5.788 ( 5.253 -7.563 -0.257) 9.212 5.825 ( 1.287 -3.161 4.821) 5.907 5.936 ( -1.906 4.532 -1.441) 5.124 5.985 ( -3.794 1.558 -8.343) 9.297 6.135 ( -2.166 3.495 -4.501) 6.096 6.215 ( -5.238 0.152 4.639) 6.998 6.318 ( 3.016 -2.940 0.735) 4.276 6.352 ( -6.758 -5.233 -5.404) 10.112 6.652 ( 6.791 0.808 -6.538) 9.461 6.677 ( 7.758 -0.907 -5.433) 9.515 6.779 ( -0.758 2.827 -1.283) 3.196 6.821 ( 0.308 -2.170 0.893) 2.367 6.875 ( 1.358 3.217 -0.501) 3.528 6.891 ( 3.060 2.227 -3.365) 5.064 6.994 ( 5.079 -1.771 4.129) 6.780 7.052 ( 4.316 -1.597 4.177) 6.215 7.093 ( 8.224 1.097 -1.268) 8.393 7.155 ( 3.963 -2.199 -0.520) 4.563 7.327 ( 0.650 -0.429 2.620) 2.734 7.391 ( 2.906 -5.107 3.551) 6.865 7.506 ( 4.414 4.464 1.884) 6.554 7.565 ( 5.781 -2.365 -1.119) 6.345 7.783 ( 12.017 3.192 -0.316) 12.438 7.825 ( 7.145 -1.499 -0.855) 7.350 7.884 ( 6.224 2.397 6.611) 9.391 7.928 ( 3.636 -0.810 0.881) 3.828 8.034 ( -0.253 4.368 -2.888) 5.243 8.088 ( 3.730 -1.861 0.567) 4.207 8.341 ( 0.982 -0.240 2.020) 2.259 8.383 ( 0.025 -5.225 1.470) 5.428 8.446 ( -2.111 3.865 5.517) 7.060 8.511 ( -4.344 0.364 4.120) 5.998 8.619 ( -3.517 0.996 8.038) 8.831 8.680 ( 1.255 -4.932 2.380) 5.619 8.942 ( 1.186 5.230 1.222) 5.500 9.036 ( 2.375 1.886 -2.155) 3.720 9.068 ( 0.190 -2.055 -3.528) 4.087 9.093 ( 3.828 -3.727 7.938) 9.568 9.133 ( -1.460 0.756 4.249) 4.556 9.169 ( 2.653 -1.250 2.651) 3.954 9.313 ( 0.902 1.065 -9.209) 9.314 9.373 ( -0.094 -4.284 -7.269) 8.438 9.522 ( -0.443 3.568 -7.812) 8.600 9.566 ( 2.922 -0.507 -5.916) 6.617 9.850 ( -2.380 4.459 -2.149) 5.492 9.925 ( -0.023 -1.235 -1.185) 1.712 10.033 ( 3.873 4.667 7.012) 9.271 10.083 ( -0.368 1.248 3.893) 4.105 10.159 ( 0.130 0.147 -6.127) 6.131 10.276 ( 2.800 -3.908 -0.917) 4.894 10.340 ( 1.169 0.597 -0.899) 1.591 10.406 ( -7.903 -5.307 8.281) 12.617 10.486 ( 2.691 3.754 0.769) 4.682 10.557 ( 1.586 -2.534 4.151) 5.115 10.581 ( 1.054 1.130 1.045) 1.865 10.591 ( 5.176 1.235 1.441) 5.513 10.732 ( 4.093 3.945 0.511) 5.707 10.800 ( 2.327 1.009 3.949) 4.693 10.912 ( -4.957 2.878 1.767) 5.997 10.998 ( -1.134 -4.127 -2.161) 4.794 11.080 ( -3.877 0.384 3.950) 5.548 11.106 ( -1.872 1.845 4.523) 5.232 11.291 ( -1.426 -3.511 4.120) 5.598 11.310 ( -5.591 -6.012 -5.380) 9.815 11.403 ( 5.867 3.170 -1.636) 6.866 11.483 ( -3.370 0.902 1.735) 3.896 11.536 ( -0.003 -3.257 -9.232) 9.789 11.593 ( -7.183 -4.457 -4.980) 9.811 11.765 ( 5.889 9.466 1.380) 11.234 11.914 ( 3.647 -4.205 -2.722) 6.197 12.106 ( -2.092 1.830 4.830) 5.573 12.218 ( -3.627 -4.635 -0.058) 5.885 12.257 ( 1.383 -0.083 -0.259) 1.410 12.271 ( -3.298 -1.166 -5.327) 6.373 12.459 ( -5.968 2.190 -2.831) 6.959 12.486 ( 0.591 -0.263 -4.223) 4.273 12.631 ( -8.405 3.455 -1.794) 9.262 12.712 ( -2.626 -4.099 1.485) 5.089 12.749 ( -9.025 -2.488 0.055) 9.361 12.790 ( 0.990 -5.395 -1.448) 5.673 13.052 ( -8.492 1.552 -4.775) 9.865 13.102 ( -6.640 -3.149 -2.947) 7.918 13.216 ( -10.411 2.748 2.249) 11.000 13.248 ( -7.814 -0.370 3.103) 8.415 13.582 ( -6.001 4.920 -4.290) 8.867 13.686 ( -10.107 -3.611 -3.832) 11.396 13.851 ( -4.561 5.192 7.407) 10.131 13.904 ( -2.616 5.284 -5.837) 8.297 14.083 ( 0.138 -3.581 3.535) 5.034 14.201 ( 0.851 -11.419 -3.056) 11.851 14.388 ( -3.421 4.803 1.219) 6.021 14.444 ( -4.152 -1.074 -1.195) 4.452 14.717 ( -1.208 5.840 3.462) 6.895 14.842 ( -2.120 -4.853 1.155) 5.420 14.934 ( -5.242 1.074 -3.043) 6.155 15.009 ( -4.193 -6.500 -9.882) 12.549 15.232 ( 12.203 2.273 5.459) 13.560 15.257 ( 9.947 -0.705 9.284) 13.624 15.637 ( 6.005 4.064 -4.730) 8.658 15.646 ( 6.914 2.351 -3.102) 7.934 15.914 ( -3.100 5.171 5.045) 7.862 16.059 ( -2.774 -7.758 -0.452) 8.252 16.348 ( 4.889 3.143 -0.221) 5.817 16.444 ( 8.700 -5.820 1.494) 10.573 16.688 ( 5.250 3.497 0.696) 6.346 16.743 ( 8.408 -1.129 -0.149) 8.484 16.834 ( 6.019 1.704 -0.552) 6.280 16.898 ( 4.114 -4.724 -0.652) 6.299 20.862 ( -3.131 -0.766 -0.772) 3.315 20.868 ( -4.568 -1.933 -0.081) 4.961 20.964 ( -2.711 2.483 -0.121) 3.678 21.058 ( -2.737 -7.439 1.019) 7.992 21.875 ( -3.251 0.789 6.511) 7.320 21.887 ( -4.171 -0.525 6.308) 7.580 22.182 ( -0.580 8.131 -3.540) 8.887 22.331 ( 0.778 -6.872 -3.783) 7.883 22.682 ( -3.062 10.625 -2.508) 11.338 22.851 ( 2.728 8.530 0.210) 8.958 22.893 ( -4.559 -9.130 -4.254) 11.056 22.951 ( -2.982 8.220 4.635) 9.896 23.063 ( 2.755 -8.148 2.859) 9.063 23.144 ( -5.369 -8.070 1.499) 9.808 23.754 ( 6.562 8.514 3.369) 11.265 23.851 ( -0.012 -2.779 -0.851) 2.907 23.952 ( 8.691 6.110 -1.331) 10.707 23.986 ( 4.095 9.891 -7.076) 12.832 23.995 ( 4.144 -2.129 -3.327) 5.725 24.289 ( 12.876 -14.621 -5.505) 20.246 24.613 ( -5.175 4.317 5.041) 8.416 24.688 ( -7.493 -3.112 4.293) 9.180 25.496 ( 15.271 12.006 -0.214) 19.427 25.670 ( 16.821 -5.754 -0.451) 17.784 26.826 ( -3.837 0.426 0.296) 3.872 26.836 ( -4.027 -0.517 -0.203) 4.065 26.913 ( -5.049 1.554 -0.069) 5.283 26.974 ( -4.339 -4.781 -0.910) 6.520 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -15.495 26.271 1.702) 30.548 1.767 ( -14.171 28.826 8.447) 33.213 2.078 ( -11.365 -18.766 -2.964) 22.138 2.329 ( -7.626 -19.267 2.999) 20.938 2.565 ( -7.002 -3.780 4.037) 8.923 2.618 ( -10.045 -7.608 0.861) 12.631 2.789 ( -4.935 26.847 6.289) 28.012 2.991 ( -0.585 1.701 -11.889) 12.024 3.061 ( -0.024 3.238 -2.237) 3.936 3.107 ( -1.351 -3.728 0.868) 4.059 3.224 ( -4.797 1.538 -1.393) 5.227 3.334 ( -1.616 11.656 2.555) 12.042 3.400 ( -2.680 -5.474 -4.611) 7.643 3.471 ( 4.015 1.328 3.403) 5.428 3.515 ( 0.846 -4.036 2.594) 4.872 3.598 ( -3.492 4.490 4.946) 7.537 3.641 ( -2.154 -2.285 -2.312) 3.900 3.716 ( -3.221 -3.727 5.015) 7.030 3.810 ( -12.099 -2.053 3.853) 12.863 3.925 ( -2.640 -3.817 -2.518) 5.280 4.000 ( 5.379 4.941 3.223) 7.984 4.043 ( 9.017 3.641 -5.071) 10.967 4.166 ( 2.943 -2.020 -7.570) 8.369 4.238 ( 5.038 3.759 0.279) 6.291 4.278 ( 4.864 -8.240 -3.855) 10.316 4.326 ( -5.755 8.100 0.687) 9.960 4.413 ( 4.616 -5.996 3.019) 8.147 4.514 ( -2.609 2.314 0.914) 3.605 4.602 ( -3.015 -3.505 0.935) 4.717 4.652 ( -3.553 -19.347 3.514) 19.982 4.785 ( 1.117 5.077 2.255) 5.666 4.816 ( 3.641 1.128 2.541) 4.581 4.883 ( -2.922 4.254 2.295) 5.648 5.004 ( -1.184 -4.061 -3.067) 5.225 5.056 ( -6.250 0.516 2.614) 6.794 5.071 ( -5.637 -0.294 -2.692) 6.254 5.238 ( -9.656 2.089 5.200) 11.164 5.251 ( -5.386 5.867 5.644) 9.762 5.342 ( -6.321 0.807 3.019) 7.052 5.440 ( -0.387 1.775 -1.849) 2.592 5.520 ( -1.339 6.933 -3.595) 7.924 5.594 ( -7.134 -0.297 0.052) 7.140 5.647 ( -7.049 4.545 -1.037) 8.452 5.677 ( -1.485 1.393 -6.785) 7.084 5.788 ( 1.073 2.452 -9.514) 9.884 5.804 ( -4.242 0.117 3.018) 5.208 5.891 ( 3.611 -8.024 -2.000) 9.023 5.932 ( -0.257 -1.826 -2.893) 3.431 6.120 ( 1.105 -1.593 2.372) 3.063 6.169 ( -0.302 -5.439 -1.009) 5.540 6.340 ( 6.577 6.586 -0.826) 9.344 6.496 ( 9.057 -7.788 0.518) 11.956 6.688 ( -0.467 0.745 2.327) 2.488 6.740 ( -1.026 -5.668 -1.621) 5.984 6.781 ( 1.465 1.885 -6.042) 6.497 6.803 ( 2.519 -0.709 -5.006) 5.649 6.903 ( 6.168 2.381 -5.945) 8.891 6.944 ( 3.949 2.613 -4.769) 6.720 7.088 ( 3.122 -3.487 -2.589) 5.349 7.172 ( 5.476 -8.143 5.324) 11.164 7.246 ( 1.338 2.269 4.442) 5.164 7.292 ( 8.984 4.701 5.084) 11.343 7.347 ( -0.367 -0.945 3.542) 3.684 7.477 ( 2.823 -5.688 -0.486) 6.369 7.608 ( 3.920 3.743 3.152) 6.270 7.670 ( 4.684 -2.128 2.446) 5.696 7.836 ( -0.514 4.645 0.985) 4.775 7.924 ( -0.585 -3.077 2.540) 4.033 8.016 ( 1.451 3.878 -0.580) 4.181 8.068 ( 6.074 7.104 6.255) 11.247 8.096 ( 5.405 1.907 0.023) 5.732 8.140 ( 3.297 -2.398 1.712) 4.422 8.295 ( -5.254 0.839 4.074) 6.701 8.312 ( -3.708 -0.598 0.284) 3.766 8.424 ( -7.465 -2.907 4.609) 9.242 8.475 ( -4.125 -6.441 4.969) 9.121 8.667 ( 6.398 5.873 2.941) 9.170 8.799 ( 5.498 -6.738 3.290) 9.298 8.938 ( -1.133 3.025 -4.392) 5.452 9.005 ( -2.565 -2.226 -6.980) 7.762 9.043 ( 1.454 3.524 0.296) 3.824 9.098 ( 0.557 -1.432 -2.186) 2.672 9.203 ( 1.864 2.929 0.413) 3.497 9.261 ( 1.790 -0.899 -4.956) 5.345 9.345 ( 4.654 0.773 -4.575) 6.571 9.364 ( 8.372 -0.531 -1.805) 8.581 9.527 ( 4.536 3.935 1.802) 6.269 9.612 ( 3.160 -3.006 0.941) 4.462 9.822 ( 1.006 4.674 1.235) 4.938 9.921 ( -0.794 -4.200 -1.022) 4.395 10.029 ( -2.076 5.626 -0.120) 5.998 10.095 ( -2.668 -1.654 -2.191) 3.828 10.199 ( 0.135 4.663 3.020) 5.557 10.276 ( -3.840 1.006 1.550) 4.261 10.343 ( 6.100 -2.036 0.455) 6.447 10.403 ( -1.301 -4.551 3.451) 5.858 10.554 ( 2.139 2.008 -0.853) 3.056 10.588 ( 1.787 2.697 1.680) 3.646 10.623 ( 1.670 -0.350 1.408) 2.212 10.708 ( 0.800 -3.482 3.959) 5.333 10.784 ( -1.702 4.901 -0.356) 5.200 10.825 ( 6.582 3.085 -0.421) 7.282 10.876 ( -0.542 1.010 -0.498) 1.249 10.942 ( -7.231 -8.786 -1.357) 11.460 11.034 ( -3.065 -0.595 3.856) 4.962 11.069 ( -2.947 -4.703 -0.081) 5.551 11.203 ( 2.078 4.266 -1.928) 5.122 11.311 ( -1.797 -3.094 1.018) 3.720 11.377 ( -1.046 3.362 -0.290) 3.533 11.439 ( -1.704 -0.692 -1.590) 2.431 11.529 ( 5.425 -2.128 -2.080) 6.187 11.556 ( 2.310 -2.046 -3.008) 4.309 11.808 ( -4.923 8.740 -7.247) 12.375 11.949 ( 2.074 -1.437 2.258) 3.387 12.015 ( -12.954 -1.679 1.205) 13.117 12.061 ( -14.310 -6.404 -6.778) 17.080 12.133 ( -6.088 0.796 2.690) 6.703 12.174 ( -4.259 -1.892 -1.645) 4.942 12.332 ( -0.816 1.215 -1.045) 1.799 12.388 ( -6.428 -4.006 -3.320) 8.270 12.532 ( -1.945 4.351 -0.038) 4.766 12.550 ( -10.372 2.926 -1.003) 10.824 12.738 ( 2.462 2.081 -1.094) 3.404 12.765 ( -6.603 2.100 -0.976) 6.997 12.848 ( 2.689 -8.145 -3.447) 9.244 12.914 ( -3.889 -8.911 -2.997) 10.174 13.182 ( -1.666 2.876 0.177) 3.328 13.226 ( -2.764 -1.062 -4.559) 5.436 13.429 ( -3.875 3.261 1.117) 5.186 13.471 ( -4.438 -1.441 1.962) 5.062 13.812 ( -4.525 6.976 -2.491) 8.681 13.853 ( -1.729 0.822 7.329) 7.575 14.110 ( 1.205 -5.115 -0.599) 5.289 14.159 ( -3.232 -8.043 2.793) 9.107 14.374 ( -0.996 2.891 2.176) 3.753 14.410 ( 0.595 -1.192 1.281) 1.848 14.630 ( -4.982 8.442 -1.813) 9.969 14.750 ( -7.168 -3.092 -3.167) 8.424 14.843 ( -1.014 0.798 -5.362) 5.515 14.892 ( -0.567 -5.404 -2.464) 5.966 15.430 ( 3.509 2.580 -0.031) 4.355 15.458 ( 3.945 -0.200 0.583) 3.992 15.650 ( 2.007 7.554 -7.782) 11.030 15.732 ( 4.024 -0.463 -4.636) 6.156 15.939 ( 0.605 4.049 11.804) 12.494 16.075 ( 1.539 -8.614 10.964) 14.028 16.456 ( 4.068 7.647 1.936) 8.876 16.614 ( 6.132 -7.941 1.442) 10.137 16.786 ( 4.586 3.251 0.720) 5.667 16.866 ( 3.741 -4.594 -0.400) 5.938 16.970 ( 7.371 1.814 -1.736) 7.787 17.004 ( 6.196 -1.782 -0.907) 6.511 20.776 ( -4.232 -0.030 -0.178) 4.236 20.804 ( -1.677 -1.841 -1.444) 2.878 20.900 ( -3.223 2.382 -0.220) 4.014 20.982 ( -4.614 -5.727 -0.250) 7.359 21.831 ( -3.973 1.225 4.727) 6.295 21.853 ( -3.217 -0.986 5.201) 6.194 22.163 ( 0.024 8.465 -1.345) 8.571 22.320 ( 0.255 -7.411 -2.689) 7.888 22.634 ( -0.409 9.356 -0.000) 9.365 22.791 ( -1.435 -4.782 -2.840) 5.744 22.908 ( 1.259 7.578 0.462) 7.696 22.949 ( -0.883 3.768 4.972) 6.301 23.048 ( -4.185 -4.995 2.932) 7.146 23.124 ( 1.423 -7.667 -2.135) 8.085 23.789 ( -0.472 2.811 -0.571) 2.907 23.832 ( -0.205 -1.058 -1.708) 2.019 23.958 ( 1.471 1.222 -4.156) 4.574 24.006 ( 3.118 -2.968 -6.455) 7.759 24.297 ( 11.510 8.630 -5.794) 15.509 24.408 ( 0.712 -2.338 -4.649) 5.253 24.652 ( 3.392 1.322 8.122) 8.901 24.718 ( 10.293 -6.098 6.763) 13.743 25.770 ( 11.244 13.883 2.083) 17.986 25.979 ( 14.364 -6.880 -0.856) 15.949 26.754 ( -3.210 0.346 0.130) 3.231 26.759 ( -3.262 -0.193 -0.124) 3.270 26.800 ( -5.572 0.644 -0.149) 5.612 26.845 ( -7.753 -4.414 -1.079) 8.986 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -4.494 0.000 32.395) 32.705 1.417 ( 2.719 0.000 33.536) 33.646 1.896 ( 6.522 0.000 5.051) 8.249 1.968 ( 5.526 0.000 -26.702) 27.268 2.245 ( 1.737 0.000 -4.446) 4.773 2.426 ( -10.050 0.000 -10.286) 14.380 2.990 ( -2.123 0.000 7.796) 8.080 3.064 ( 1.189 0.000 -0.702) 1.381 3.106 ( 0.488 0.000 6.833) 6.850 3.201 ( 0.341 0.000 -3.838) 3.853 3.286 ( 0.080 0.000 1.027) 1.030 3.374 ( -0.252 0.000 -5.820) 5.826 3.424 ( -2.029 0.000 3.431) 3.986 3.461 ( -0.199 0.000 -0.208) 0.288 3.521 ( -2.731 0.000 7.324) 7.816 3.539 ( 0.650 0.000 17.649) 17.661 3.660 ( 2.048 0.000 -5.468) 5.839 3.712 ( 4.088 0.000 -1.858) 4.491 3.721 ( -5.028 0.000 -2.069) 5.437 3.899 ( 5.795 0.000 -0.586) 5.825 3.967 ( 1.342 0.000 -1.645) 2.123 4.023 ( -4.556 0.000 -17.504) 18.087 4.116 ( -2.166 0.000 1.575) 2.678 4.155 ( 5.207 0.000 -2.946) 5.983 4.242 ( 4.130 0.000 7.886) 8.902 4.304 ( 0.444 0.000 6.376) 6.392 4.358 ( -2.796 0.000 -3.977) 4.861 4.460 ( 3.927 0.000 -7.481) 8.449 4.559 ( -5.223 0.000 -1.644) 5.476 4.568 ( 0.219 0.000 -8.174) 8.177 4.804 ( 6.861 0.000 2.241) 7.218 4.825 ( -1.503 0.000 0.001) 1.503 4.900 ( -9.509 0.000 -0.148) 9.510 4.914 ( -0.931 0.000 -3.151) 3.286 4.967 ( -7.613 0.000 5.542) 9.417 5.038 ( 6.165 0.000 -1.473) 6.338 5.183 ( 3.804 0.000 1.736) 4.181 5.234 ( -5.527 0.000 -1.990) 5.875 5.335 ( -8.979 0.000 0.070) 8.979 5.352 ( 4.064 0.000 -2.736) 4.899 5.430 ( -6.673 0.000 -0.587) 6.698 5.445 ( 13.024 0.000 -1.202) 13.079 5.513 ( -1.848 0.000 0.608) 1.946 5.608 ( 4.737 0.000 -7.944) 9.249 5.635 ( -0.873 0.000 6.056) 6.119 5.781 ( -0.561 0.000 -9.165) 9.182 6.031 ( 3.666 0.000 8.721) 9.460 6.045 ( 2.118 0.000 9.136) 9.379 6.214 ( 0.268 0.000 -5.695) 5.701 6.231 ( -0.047 0.000 -3.819) 3.820 6.507 ( 5.324 0.000 -2.838) 6.033 6.533 ( -6.624 0.000 -6.432) 9.233 6.746 ( 9.667 0.000 10.466) 14.247 6.858 ( -3.920 0.000 1.076) 4.065 6.859 ( 1.057 0.000 -0.466) 1.155 6.919 ( -9.944 0.000 2.658) 10.293 6.977 ( -3.480 0.000 -5.807) 6.770 7.006 ( 2.124 0.000 0.071) 2.125 7.185 ( 8.460 0.000 8.225) 11.799 7.246 ( 1.390 0.000 1.973) 2.414 7.311 ( -11.295 0.000 2.750) 11.625 7.368 ( -3.420 0.000 -5.819) 6.749 7.500 ( 0.642 0.000 3.021) 3.088 7.559 ( 6.785 0.000 -3.052) 7.440 7.630 ( 3.258 0.000 -7.322) 8.014 7.662 ( -5.391 0.000 -6.292) 8.286 7.784 ( 3.323 0.000 5.158) 6.136 7.826 ( -1.301 0.000 1.193) 1.765 7.875 ( -3.092 0.000 12.012) 12.404 8.090 ( -1.388 0.000 -4.958) 5.148 8.247 ( 0.509 0.000 5.670) 5.693 8.274 ( 5.899 0.000 5.214) 7.873 8.309 ( -3.776 0.000 -0.865) 3.874 8.311 ( -11.634 0.000 2.416) 11.882 8.454 ( 3.640 0.000 -0.288) 3.651 8.497 ( 7.851 0.000 -6.205) 10.007 8.652 ( -2.467 0.000 3.263) 4.091 8.712 ( -2.856 0.000 -2.077) 3.531 8.826 ( -7.626 0.000 1.467) 7.766 8.844 ( 4.246 0.000 -2.748) 5.058 8.896 ( -5.068 0.000 2.191) 5.521 9.024 ( 12.474 0.000 -6.372) 14.007 9.273 ( -1.905 0.000 3.888) 4.329 9.367 ( 0.639 0.000 -5.227) 5.266 9.566 ( -0.476 0.000 2.902) 2.940 9.585 ( 4.891 0.000 1.385) 5.083 9.673 ( -6.713 0.000 3.596) 7.615 9.731 ( 12.769 0.000 -2.889) 13.092 9.769 ( -4.537 0.000 4.914) 6.688 9.858 ( -2.263 0.000 -4.185) 4.757 9.927 ( 6.467 0.000 -0.454) 6.483 9.949 ( -7.431 0.000 -2.242) 7.762 10.102 ( -3.735 0.000 0.090) 3.736 10.146 ( 0.877 0.000 -2.103) 2.279 10.407 ( 4.881 0.000 6.243) 7.925 10.473 ( -2.533 0.000 -0.665) 2.619 10.525 ( 1.598 0.000 3.155) 3.537 10.555 ( 1.034 0.000 2.376) 2.591 10.602 ( -11.254 0.000 -3.817) 11.884 10.618 ( 3.642 0.000 -3.133) 4.804 10.739 ( -6.396 0.000 2.450) 6.849 10.750 ( 6.949 0.000 1.307) 7.071 10.806 ( -8.670 0.000 1.836) 8.863 10.912 ( 6.851 0.000 -7.901) 10.458 11.112 ( -1.991 0.000 7.098) 7.372 11.157 ( -4.141 0.000 1.329) 4.349 11.264 ( 1.066 0.000 -1.814) 2.104 11.302 ( -7.409 0.000 -4.925) 8.897 11.357 ( -0.609 0.000 8.876) 8.896 11.560 ( 4.975 0.000 -11.307) 12.353 11.648 ( 7.328 0.000 3.609) 8.168 11.688 ( 7.961 0.000 1.137) 8.042 11.700 ( -9.602 0.000 -2.187) 9.848 11.709 ( -5.805 0.000 -0.122) 5.807 11.886 ( 2.632 0.000 0.853) 2.767 11.916 ( 3.658 0.000 -1.762) 4.060 12.134 ( 14.821 0.000 -1.578) 14.905 12.180 ( -9.937 0.000 -5.178) 11.205 12.312 ( -5.647 0.000 -0.177) 5.649 12.314 ( 9.176 0.000 -0.337) 9.182 12.406 ( -2.653 0.000 0.274) 2.667 12.457 ( 0.157 0.000 -4.527) 4.530 12.691 ( 5.730 0.000 6.092) 8.363 12.753 ( -4.587 0.000 -0.515) 4.616 12.915 ( -4.813 0.000 5.448) 7.269 12.962 ( -1.865 0.000 -2.978) 3.514 13.105 ( 6.174 0.000 3.157) 6.935 13.242 ( -0.027 0.000 -4.648) 4.648 13.370 ( 4.564 0.000 7.284) 8.595 13.496 ( -3.845 0.000 -7.119) 8.091 13.732 ( 1.546 0.000 8.134) 8.280 13.920 ( 2.257 0.000 -6.475) 6.857 13.981 ( 1.416 0.000 2.067) 2.505 14.144 ( -2.616 0.000 -9.774) 10.118 14.306 ( -8.264 0.000 2.661) 8.682 14.322 ( 9.860 0.000 0.677) 9.883 14.453 ( -9.800 0.000 4.465) 10.770 14.541 ( 8.487 0.000 -4.583) 9.646 14.934 ( 0.804 0.000 9.199) 9.234 15.059 ( 2.228 0.000 -0.227) 2.240 15.189 ( -0.796 0.000 -5.824) 5.878 15.211 ( -3.960 0.000 -4.082) 5.687 15.633 ( -0.587 0.000 9.537) 9.555 15.774 ( 0.876 0.000 -4.478) 4.563 16.093 ( 5.151 0.000 2.164) 5.588 16.156 ( -4.789 0.000 -4.350) 6.470 16.688 ( 0.433 0.000 7.189) 7.202 16.827 ( -0.643 0.000 -6.970) 7.000 16.933 ( 1.028 0.000 3.427) 3.578 16.969 ( -0.219 0.000 -0.654) 0.690 17.062 ( 1.199 0.000 0.698) 1.387 17.085 ( -1.500 0.000 -1.342) 2.013 20.739 ( -8.543 0.000 0.092) 8.544 20.748 ( 3.213 0.000 -0.853) 3.324 20.906 ( -2.190 0.000 0.417) 2.230 20.916 ( 2.622 0.000 -0.669) 2.706 21.814 ( -2.578 0.000 4.273) 4.990 21.890 ( 1.978 0.000 -3.499) 4.019 22.077 ( -2.071 0.000 10.149) 10.358 22.258 ( 0.862 0.000 -8.796) 8.838 22.446 ( -0.899 0.000 3.327) 3.447 22.520 ( 0.985 0.000 -4.141) 4.256 22.747 ( -1.630 0.000 1.720) 2.370 22.780 ( 2.166 0.000 -1.587) 2.685 23.109 ( -3.141 0.000 1.689) 3.567 23.121 ( 3.077 0.000 0.255) 3.087 23.859 ( 2.098 0.000 5.069) 5.486 23.950 ( -0.665 0.000 -4.277) 4.328 23.991 ( 2.336 0.000 6.198) 6.623 24.065 ( -1.222 0.000 -1.319) 1.798 24.284 ( 0.766 0.000 -1.242) 1.459 24.349 ( -2.777 0.000 -7.650) 8.139 24.995 ( 4.602 0.000 6.695) 8.124 25.113 ( -2.232 0.000 -5.411) 5.853 25.972 ( 8.740 0.000 1.788) 8.921 26.004 ( -3.895 0.000 -1.473) 4.165 26.711 ( -2.871 0.000 0.024) 2.871 26.712 ( 1.033 0.000 -0.019) 1.033 26.741 ( 0.205 0.000 0.293) 0.357 26.747 ( -0.207 0.000 -0.274) 0.343 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 8.319 0.000 19.044) 20.782 1.763 ( 6.147 0.000 -4.573) 7.662 1.915 ( 15.401 0.000 5.486) 16.348 2.046 ( 15.097 0.000 -22.661) 27.229 2.476 ( 17.615 0.000 -6.289) 18.704 2.631 ( 23.268 0.000 10.705) 25.612 2.974 ( -2.317 0.000 3.992) 4.616 3.046 ( -2.735 0.000 -1.367) 3.058 3.153 ( 1.152 0.000 5.542) 5.661 3.162 ( -1.282 0.000 -5.100) 5.259 3.298 ( -0.291 0.000 5.836) 5.843 3.330 ( -0.274 0.000 -5.886) 5.893 3.484 ( 4.506 0.000 4.237) 6.185 3.500 ( 2.051 0.000 3.754) 4.277 3.559 ( -0.228 0.000 3.316) 3.324 3.643 ( -2.338 0.000 13.358) 13.561 3.646 ( 0.721 0.000 -0.223) 0.755 3.725 ( 5.378 0.000 -1.381) 5.552 3.766 ( 2.505 0.000 1.165) 2.763 3.893 ( 4.299 0.000 -19.115) 19.592 3.985 ( -7.293 0.000 0.025) 7.293 4.021 ( 4.803 0.000 -5.188) 7.070 4.079 ( 9.113 0.000 6.508) 11.198 4.169 ( 2.259 0.000 -9.031) 9.309 4.249 ( -4.616 0.000 -6.522) 7.990 4.300 ( -4.403 0.000 4.154) 6.053 4.359 ( -3.603 0.000 -6.592) 7.512 4.388 ( 3.040 0.000 3.154) 4.381 4.484 ( -0.304 0.000 2.210) 2.231 4.627 ( 4.567 0.000 1.349) 4.762 4.652 ( -5.817 0.000 1.495) 6.006 4.716 ( -3.852 0.000 0.412) 3.874 4.790 ( -9.008 0.000 4.092) 9.894 4.994 ( 5.463 0.000 3.520) 6.499 5.041 ( -10.207 0.000 -0.205) 10.209 5.123 ( -2.387 0.000 -1.271) 2.704 5.216 ( 14.615 0.000 8.290) 16.802 5.251 ( 5.907 0.000 -0.664) 5.945 5.269 ( 3.082 0.000 -1.566) 3.457 5.406 ( 6.913 0.000 0.961) 6.979 5.507 ( 1.659 0.000 1.228) 2.064 5.516 ( 8.783 0.000 2.771) 9.210 5.645 ( 6.237 0.000 -3.782) 7.294 5.697 ( 4.547 0.000 -2.773) 5.326 5.722 ( 4.378 0.000 1.875) 4.763 5.772 ( 8.028 0.000 -11.816) 14.286 6.048 ( -7.633 0.000 4.786) 9.010 6.057 ( -4.812 0.000 -4.872) 6.848 6.132 ( -3.911 0.000 4.689) 6.106 6.182 ( -0.204 0.000 -13.530) 13.531 6.385 ( -0.095 0.000 2.807) 2.809 6.530 ( -6.902 0.000 -5.544) 8.853 6.682 ( -5.767 0.000 -1.369) 5.928 6.803 ( -11.619 0.000 -1.428) 11.707 6.822 ( -2.866 0.000 -0.299) 2.881 6.877 ( -5.173 0.000 6.195) 8.071 6.932 ( -19.560 0.000 -1.713) 19.634 6.956 ( 3.485 0.000 4.336) 5.563 7.037 ( 1.375 0.000 6.693) 6.833 7.175 ( -4.310 0.000 -4.391) 6.153 7.268 ( -3.863 0.000 7.562) 8.491 7.318 ( -3.667 0.000 6.284) 7.275 7.468 ( -3.719 0.000 -3.287) 4.963 7.534 ( -4.257 0.000 -1.825) 4.631 7.635 ( -4.270 0.000 2.793) 5.103 7.681 ( 6.710 0.000 -5.643) 8.767 7.729 ( -7.464 0.000 4.313) 8.620 7.825 ( 4.754 0.000 -3.957) 6.185 7.901 ( -12.829 0.000 6.117) 14.213 8.021 ( -2.601 0.000 -4.812) 5.470 8.160 ( 7.559 0.000 1.689) 7.746 8.182 ( -4.829 0.000 -1.777) 5.146 8.236 ( -7.862 0.000 2.376) 8.213 8.341 ( -0.415 0.000 5.411) 5.427 8.601 ( 9.051 0.000 -0.417) 9.061 8.620 ( -10.032 0.000 1.261) 10.111 8.627 ( -0.824 0.000 8.127) 8.169 8.716 ( -0.228 0.000 3.209) 3.217 8.746 ( 11.973 0.000 -3.241) 12.404 8.828 ( -1.683 0.000 -2.989) 3.430 8.921 ( 2.982 0.000 0.087) 2.984 9.012 ( -6.710 0.000 0.210) 6.714 9.303 ( -4.067 0.000 0.054) 4.068 9.378 ( 8.329 0.000 -3.609) 9.077 9.517 ( -3.722 0.000 -0.734) 3.794 9.547 ( -3.731 0.000 -4.641) 5.955 9.646 ( 0.802 0.000 -3.247) 3.344 9.661 ( -2.537 0.000 3.691) 4.479 9.846 ( 0.990 0.000 0.911) 1.346 9.849 ( 0.211 0.000 -3.723) 3.729 9.949 ( -3.070 0.000 5.455) 6.260 10.052 ( 3.254 0.000 0.014) 3.255 10.160 ( 11.047 0.000 -5.825) 12.489 10.192 ( 3.962 0.000 4.379) 5.905 10.347 ( -7.822 0.000 -3.533) 8.583 10.407 ( -8.776 0.000 3.502) 9.449 10.456 ( -8.985 0.000 0.611) 9.005 10.460 ( 2.145 0.000 1.225) 2.471 10.555 ( -1.496 0.000 1.411) 2.056 10.588 ( -1.247 0.000 2.877) 3.135 10.707 ( -1.256 0.000 -2.543) 2.836 10.771 ( 6.670 0.000 4.941) 8.301 10.838 ( -5.991 0.000 -1.905) 6.286 10.939 ( 6.380 0.000 -3.684) 7.368 11.118 ( -3.116 0.000 10.483) 10.937 11.177 ( -0.691 0.000 0.404) 0.800 11.265 ( -3.757 0.000 7.305) 8.215 11.267 ( 9.109 0.000 0.152) 9.110 11.408 ( 0.166 0.000 4.847) 4.850 11.488 ( -3.505 0.000 -8.505) 9.199 11.557 ( -2.907 0.000 -1.290) 3.180 11.672 ( 3.189 0.000 -5.324) 6.206 11.815 ( 6.175 0.000 3.085) 6.903 11.851 ( 6.332 0.000 -5.123) 8.145 11.948 ( -7.062 0.000 -6.618) 9.678 12.020 ( 6.309 0.000 -0.926) 6.377 12.053 ( 9.396 0.000 1.474) 9.511 12.328 ( 8.985 0.000 -0.650) 9.009 12.366 ( 5.355 0.000 -0.756) 5.408 12.415 ( 5.040 0.000 0.506) 5.065 12.542 ( 11.334 0.000 0.013) 11.334 12.581 ( 14.285 0.000 -0.049) 14.285 12.747 ( 5.450 0.000 -7.309) 9.118 12.812 ( -0.208 0.000 7.170) 7.173 12.869 ( 0.713 0.000 1.894) 2.024 12.911 ( -1.568 0.000 2.012) 2.551 13.227 ( 2.821 0.000 -12.225) 12.546 13.278 ( 6.902 0.000 4.386) 8.178 13.475 ( 7.252 0.000 -12.095) 14.103 13.590 ( 11.896 0.000 8.057) 14.368 13.830 ( 2.570 0.000 6.491) 6.982 13.845 ( -3.814 0.000 -6.779) 7.779 13.988 ( -4.279 0.000 -8.768) 9.756 14.046 ( 1.630 0.000 2.067) 2.632 14.178 ( -4.121 0.000 2.292) 4.716 14.371 ( 1.457 0.000 3.951) 4.211 14.590 ( 14.435 0.000 -0.847) 14.460 14.725 ( 9.967 0.000 -3.876) 10.694 14.984 ( -1.551 0.000 6.511) 6.693 15.021 ( -1.307 0.000 -9.169) 9.262 15.136 ( -1.844 0.000 0.651) 1.955 15.235 ( 4.123 0.000 4.551) 6.141 15.580 ( -10.139 0.000 8.216) 13.050 15.663 ( -7.756 0.000 -7.786) 10.990 16.032 ( -5.118 0.000 -3.811) 6.381 16.219 ( 5.467 0.000 2.894) 6.186 16.676 ( -5.949 0.000 8.606) 10.462 16.695 ( -7.929 0.000 -7.191) 10.705 16.876 ( -7.703 0.000 -1.870) 7.927 16.881 ( -7.113 0.000 1.364) 7.242 17.013 ( -4.111 0.000 -2.442) 4.782 17.050 ( -3.157 0.000 2.389) 3.959 20.708 ( 2.834 0.000 2.028) 3.485 20.856 ( 3.740 0.000 2.261) 4.371 20.909 ( 4.539 0.000 2.638) 5.250 20.989 ( 5.165 0.000 -0.884) 5.240 21.809 ( -0.933 0.000 4.282) 4.382 21.925 ( 3.781 0.000 -2.491) 4.528 22.113 ( -1.134 0.000 11.101) 11.158 22.218 ( 0.114 0.000 -7.748) 7.749 22.457 ( -0.318 0.000 3.367) 3.382 22.527 ( 2.599 0.000 -4.174) 4.918 22.720 ( -1.930 0.000 1.250) 2.299 22.799 ( 0.584 0.000 -2.003) 2.087 23.102 ( 2.092 0.000 1.052) 2.341 23.224 ( 6.920 0.000 -0.589) 6.945 23.887 ( -1.612 0.000 -5.192) 5.436 23.921 ( 0.887 0.000 2.925) 3.057 24.012 ( -2.084 0.000 -3.172) 3.795 24.022 ( -3.251 0.000 0.513) 3.291 24.231 ( -5.439 0.000 -4.651) 7.157 24.286 ( -1.033 0.000 5.641) 5.734 24.951 ( -7.204 0.000 -8.424) 11.084 24.986 ( -8.097 0.000 6.518) 10.394 25.763 ( -15.301 0.000 -8.896) 17.699 25.853 ( -16.062 0.000 7.035) 17.535 26.752 ( 2.689 0.000 0.282) 2.704 26.778 ( 4.617 0.000 -0.718) 4.672 26.835 ( 9.259 0.000 -2.916) 9.707 26.838 ( 6.833 0.000 2.667) 7.335 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 21.183 0.000 -14.442) 25.637 1.941 ( 21.583 0.000 9.235) 23.475 2.284 ( 21.414 0.000 -16.276) 26.898 2.469 ( 23.348 0.000 21.357) 31.642 2.824 ( 14.412 0.000 1.998) 14.550 2.881 ( 0.841 0.000 -3.106) 3.218 2.978 ( -0.363 0.000 -3.127) 3.148 3.015 ( 3.172 0.000 3.501) 4.724 3.106 ( -1.655 0.000 -4.167) 4.483 3.187 ( -1.816 0.000 1.706) 2.492 3.267 ( -1.963 0.000 -4.250) 4.681 3.323 ( -1.295 0.000 4.477) 4.661 3.491 ( -9.263 0.000 1.659) 9.411 3.573 ( 3.071 0.000 4.704) 5.618 3.589 ( 0.933 0.000 10.689) 10.730 3.656 ( -7.144 0.000 2.058) 7.435 3.716 ( 3.462 0.000 1.830) 3.915 3.769 ( 6.798 0.000 2.519) 7.249 3.833 ( -15.696 0.000 -3.098) 15.999 3.876 ( 1.385 0.000 -3.393) 3.664 3.957 ( 8.011 0.000 -17.559) 19.300 3.969 ( 7.983 0.000 6.293) 10.165 4.106 ( 5.972 0.000 -1.260) 6.103 4.207 ( -2.594 0.000 0.657) 2.676 4.315 ( -5.538 0.000 1.471) 5.730 4.318 ( 6.018 0.000 -7.027) 9.252 4.373 ( 11.134 0.000 -11.080) 15.708 4.391 ( 3.389 0.000 -2.442) 4.177 4.458 ( 3.424 0.000 5.818) 6.751 4.671 ( -2.512 0.000 1.082) 2.735 4.703 ( 2.426 0.000 13.071) 13.294 4.766 ( 8.717 0.000 -2.228) 8.998 4.822 ( -5.812 0.000 -3.286) 6.677 4.883 ( 13.356 0.000 10.944) 17.267 5.064 ( -0.367 0.000 1.916) 1.951 5.103 ( 1.951 0.000 2.606) 3.255 5.334 ( 4.189 0.000 2.272) 4.765 5.345 ( 2.483 0.000 -0.650) 2.567 5.476 ( -6.187 0.000 -2.807) 6.794 5.506 ( -7.079 0.000 6.979) 9.940 5.560 ( -0.928 0.000 1.329) 1.621 5.595 ( 4.717 0.000 -1.819) 5.055 5.628 ( 3.768 0.000 4.632) 5.971 5.753 ( 4.091 0.000 -10.397) 11.173 5.793 ( 4.806 0.000 -6.065) 7.738 5.873 ( 8.506 0.000 -5.784) 10.286 5.964 ( 0.339 0.000 2.916) 2.935 6.009 ( 3.164 0.000 4.456) 5.465 6.113 ( -0.244 0.000 -2.409) 2.422 6.160 ( 5.950 0.000 -5.915) 8.390 6.193 ( -18.709 0.000 -3.965) 19.125 6.443 ( 1.235 0.000 -6.573) 6.688 6.480 ( -14.994 0.000 -0.577) 15.006 6.564 ( -8.263 0.000 7.820) 11.376 6.705 ( -6.022 0.000 3.052) 6.751 6.755 ( -8.786 0.000 -0.503) 8.801 6.801 ( 4.493 0.000 -5.411) 7.033 6.994 ( -4.347 0.000 6.014) 7.420 7.065 ( -0.582 0.000 2.828) 2.887 7.174 ( 2.049 0.000 5.105) 5.501 7.227 ( -8.463 0.000 2.722) 8.890 7.228 ( -5.056 0.000 -0.220) 5.061 7.383 ( -1.282 0.000 -1.453) 1.938 7.411 ( -11.934 0.000 3.307) 12.384 7.492 ( -7.434 0.000 -1.973) 7.692 7.537 ( -8.425 0.000 0.077) 8.425 7.648 ( -8.816 0.000 -5.962) 10.642 7.800 ( 4.931 0.000 -1.633) 5.194 7.895 ( 2.166 0.000 1.464) 2.614 7.983 ( -1.607 0.000 -2.906) 3.321 8.070 ( -6.732 0.000 -1.499) 6.897 8.105 ( -1.239 0.000 -1.298) 1.794 8.334 ( 3.673 0.000 -2.018) 4.191 8.360 ( -1.030 0.000 5.960) 6.048 8.496 ( 1.282 0.000 9.007) 9.097 8.668 ( -1.521 0.000 10.184) 10.297 8.736 ( 0.441 0.000 -1.966) 2.015 8.779 ( 6.591 0.000 -0.822) 6.642 8.826 ( 2.754 0.000 3.658) 4.579 8.828 ( -3.789 0.000 -1.667) 4.140 8.923 ( -1.379 0.000 1.508) 2.043 8.981 ( 3.122 0.000 0.135) 3.125 9.245 ( -3.683 0.000 4.099) 5.510 9.370 ( -4.231 0.000 0.418) 4.252 9.481 ( 0.117 0.000 -4.945) 4.946 9.495 ( -0.126 0.000 -2.327) 2.331 9.575 ( -3.746 0.000 -5.479) 6.637 9.709 ( 6.401 0.000 -7.150) 9.597 9.777 ( -1.782 0.000 -3.619) 4.034 9.862 ( -1.260 0.000 2.504) 2.803 9.914 ( -4.307 0.000 5.644) 7.099 10.037 ( -1.338 0.000 -1.535) 2.036 10.157 ( -13.012 0.000 8.234) 15.398 10.212 ( 0.084 0.000 -5.557) 5.557 10.299 ( 2.071 0.000 -3.841) 4.364 10.314 ( -1.427 0.000 3.101) 3.414 10.452 ( 4.860 0.000 5.533) 7.364 10.497 ( -2.554 0.000 0.591) 2.622 10.580 ( -1.689 0.000 -3.683) 4.052 10.642 ( 11.521 0.000 -1.764) 11.655 10.679 ( 2.726 0.000 2.046) 3.408 10.706 ( -7.120 0.000 -0.163) 7.122 10.958 ( 5.357 0.000 3.713) 6.518 10.970 ( 6.333 0.000 -8.039) 10.233 11.121 ( -1.238 0.000 8.988) 9.073 11.225 ( -5.848 0.000 6.799) 8.968 11.238 ( 2.710 0.000 -0.081) 2.712 11.364 ( -3.502 0.000 -6.431) 7.322 11.394 ( -3.114 0.000 6.493) 7.201 11.427 ( 7.069 0.000 -2.955) 7.662 11.525 ( -3.232 0.000 3.677) 4.895 11.675 ( 0.597 0.000 -6.201) 6.229 11.806 ( 0.900 0.000 -5.692) 5.762 11.966 ( 6.161 0.000 1.373) 6.313 11.996 ( 9.478 0.000 -6.081) 11.261 12.090 ( -1.390 0.000 5.965) 6.125 12.189 ( 4.320 0.000 1.846) 4.698 12.435 ( 6.856 0.000 4.612) 8.263 12.541 ( 9.799 0.000 -0.724) 9.825 12.549 ( 4.297 0.000 2.267) 4.859 12.733 ( 3.965 0.000 -11.351) 12.024 12.759 ( -5.853 0.000 5.824) 8.257 12.838 ( 8.435 0.000 3.745) 9.229 12.915 ( 14.670 0.000 2.935) 14.961 12.933 ( 4.168 0.000 0.990) 4.284 13.001 ( 7.903 0.000 1.712) 8.086 13.167 ( -0.242 0.000 -12.639) 12.642 13.371 ( 0.714 0.000 -0.787) 1.063 13.528 ( 4.118 0.000 -12.265) 12.938 13.670 ( -3.948 0.000 -9.374) 10.171 13.785 ( 4.805 0.000 -2.440) 5.389 13.926 ( 4.677 0.000 4.697) 6.629 14.061 ( 9.304 0.000 10.436) 13.982 14.150 ( 10.406 0.000 -4.356) 11.281 14.228 ( 5.495 0.000 7.785) 9.529 14.434 ( -0.590 0.000 2.342) 2.415 14.818 ( 0.441 0.000 -5.645) 5.662 14.834 ( 10.421 0.000 -1.275) 10.499 14.949 ( -6.919 0.000 8.119) 10.667 14.996 ( 5.953 0.000 -7.357) 9.464 15.148 ( 1.557 0.000 4.693) 4.944 15.312 ( -1.929 0.000 -0.444) 1.979 15.392 ( -11.919 0.000 6.633) 13.640 15.400 ( -9.753 0.000 -9.129) 13.359 15.933 ( -3.260 0.000 1.757) 3.703 16.298 ( -1.199 0.000 1.437) 1.872 16.482 ( -6.032 0.000 -6.450) 8.832 16.584 ( -8.542 0.000 7.578) 11.419 16.688 ( -8.860 0.000 -2.268) 9.146 16.718 ( -8.880 0.000 -0.192) 8.882 16.918 ( -2.537 0.000 -4.068) 4.794 16.980 ( -5.238 0.000 2.875) 5.975 20.812 ( 5.853 0.000 0.284) 5.860 20.893 ( 1.608 0.000 -0.013) 1.608 21.089 ( 5.435 0.000 9.705) 11.123 21.099 ( 6.727 0.000 -1.686) 6.935 21.829 ( 0.145 0.000 4.450) 4.453 22.013 ( 5.485 0.000 0.367) 5.497 22.164 ( -0.435 0.000 -5.524) 5.541 22.173 ( -0.686 0.000 12.698) 12.717 22.473 ( -0.006 0.000 2.587) 2.587 22.558 ( 3.024 0.000 -4.534) 5.450 22.692 ( -1.691 0.000 1.596) 2.325 22.771 ( -1.826 0.000 -2.365) 2.988 23.218 ( 8.910 0.000 1.299) 9.004 23.335 ( 4.651 0.000 -5.323) 7.069 23.835 ( -11.767 0.000 -9.264) 14.976 23.868 ( 1.789 0.000 0.458) 1.846 23.920 ( -1.678 0.000 -0.833) 1.873 23.966 ( 1.094 0.000 -4.620) 4.748 24.062 ( -8.624 0.000 -4.713) 9.828 24.314 ( -1.026 0.000 8.397) 8.459 24.831 ( -10.918 0.000 7.133) 13.042 24.849 ( 2.141 0.000 -5.364) 5.775 25.377 ( -14.207 0.000 -14.174) 20.068 25.570 ( -17.574 0.000 9.167) 19.821 26.820 ( 3.556 0.000 0.391) 3.578 26.864 ( 4.334 0.000 -0.936) 4.433 26.971 ( 3.752 0.000 3.991) 5.478 26.972 ( 6.507 0.000 -3.314) 7.302 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 28.653 0.000 -3.860) 28.912 2.442 ( 21.267 0.000 7.592) 22.581 2.610 ( 17.535 0.000 -9.798) 20.087 2.763 ( -13.235 0.000 4.132) 13.865 2.829 ( -8.115 0.000 0.455) 8.128 2.944 ( -1.463 0.000 -1.152) 1.863 3.006 ( 4.070 0.000 7.733) 8.738 3.043 ( 2.696 0.000 -4.050) 4.865 3.086 ( -11.139 0.000 3.624) 11.713 3.198 ( 4.232 0.000 1.725) 4.570 3.269 ( 7.960 0.000 10.191) 12.932 3.288 ( -4.679 0.000 0.718) 4.734 3.348 ( 7.747 0.000 -2.848) 8.254 3.445 ( -10.040 0.000 -1.518) 10.154 3.475 ( -9.178 0.000 -0.611) 9.198 3.684 ( 1.151 0.000 6.116) 6.224 3.728 ( 1.072 0.000 2.069) 2.330 3.794 ( 3.717 0.000 4.185) 5.597 3.849 ( -6.406 0.000 -2.414) 6.846 3.946 ( 8.496 0.000 -4.183) 9.470 4.017 ( -6.238 0.000 10.048) 11.827 4.054 ( 7.794 0.000 -7.616) 10.897 4.089 ( -5.871 0.000 0.006) 5.871 4.223 ( -0.180 0.000 6.455) 6.458 4.286 ( 6.332 0.000 -0.410) 6.345 4.356 ( 1.888 0.000 -2.280) 2.961 4.442 ( -2.280 0.000 -6.138) 6.548 4.449 ( 2.359 0.000 0.076) 2.360 4.530 ( 3.694 0.000 -6.605) 7.568 4.646 ( -2.682 0.000 -5.035) 5.704 4.785 ( 16.314 0.000 -12.040) 20.275 4.938 ( -4.541 0.000 13.076) 13.842 4.972 ( 3.632 0.000 -3.208) 4.846 5.010 ( -1.218 0.000 1.923) 2.276 5.057 ( 9.819 0.000 -7.600) 12.417 5.133 ( -11.215 0.000 -0.461) 11.224 5.274 ( -17.087 0.000 4.976) 17.797 5.331 ( 3.063 0.000 7.067) 7.702 5.381 ( 3.795 0.000 -2.027) 4.303 5.436 ( -1.708 0.000 9.280) 9.436 5.514 ( 3.667 0.000 3.753) 5.247 5.610 ( 1.287 0.000 -13.339) 13.401 5.697 ( -2.434 0.000 8.409) 8.755 5.793 ( 5.544 0.000 -8.420) 10.081 5.877 ( 0.696 0.000 2.132) 2.243 5.943 ( 2.272 0.000 -3.781) 4.411 5.973 ( 1.076 0.000 -1.595) 1.924 6.097 ( 0.522 0.000 2.668) 2.719 6.105 ( 10.085 0.000 11.879) 15.582 6.147 ( 7.714 0.000 -6.332) 9.980 6.161 ( -7.624 0.000 -2.366) 7.983 6.392 ( 3.702 0.000 2.929) 4.721 6.414 ( 1.930 0.000 -3.198) 3.735 6.550 ( -7.086 0.000 -2.248) 7.434 6.593 ( 6.506 0.000 5.899) 8.782 6.653 ( -0.819 0.000 3.252) 3.354 6.791 ( -7.248 0.000 0.084) 7.248 6.888 ( -2.615 0.000 -5.372) 5.975 6.941 ( -14.355 0.000 -2.302) 14.538 6.986 ( -17.923 0.000 0.301) 17.926 7.135 ( 0.277 0.000 -5.383) 5.391 7.169 ( 2.058 0.000 -5.563) 5.931 7.361 ( -0.707 0.000 -0.979) 1.207 7.383 ( -0.737 0.000 4.760) 4.816 7.416 ( -0.926 0.000 2.369) 2.544 7.433 ( -0.478 0.000 -3.291) 3.326 7.541 ( 5.630 0.000 2.689) 6.239 7.813 ( -10.483 0.000 0.742) 10.509 7.842 ( -1.856 0.000 6.677) 6.931 7.948 ( -0.066 0.000 -2.000) 2.001 8.021 ( 3.917 0.000 -5.668) 6.890 8.084 ( -2.576 0.000 -1.519) 2.991 8.375 ( -1.696 0.000 5.484) 5.741 8.380 ( 3.957 0.000 -1.061) 4.097 8.670 ( 6.518 0.000 0.258) 6.523 8.671 ( -7.083 0.000 5.488) 8.961 8.705 ( -2.197 0.000 4.434) 4.948 8.737 ( -0.123 0.000 7.362) 7.364 8.857 ( 4.653 0.000 -2.681) 5.370 8.919 ( 3.487 0.000 2.262) 4.156 8.924 ( -0.907 0.000 0.223) 0.934 9.031 ( 2.016 0.000 -0.754) 2.152 9.199 ( -2.481 0.000 2.332) 3.404 9.301 ( -3.718 0.000 0.846) 3.813 9.439 ( -2.616 0.000 -3.804) 4.617 9.451 ( -1.444 0.000 -4.224) 4.463 9.535 ( -0.290 0.000 7.649) 7.654 9.727 ( 2.354 0.000 -6.453) 6.869 9.780 ( -2.748 0.000 2.782) 3.910 9.826 ( -4.900 0.000 6.112) 7.834 9.912 ( 6.997 0.000 -7.051) 9.933 9.927 ( -4.633 0.000 -6.152) 7.701 10.090 ( -0.468 0.000 7.172) 7.187 10.203 ( 2.662 0.000 -6.454) 6.981 10.266 ( -2.759 0.000 -0.202) 2.767 10.339 ( 3.234 0.000 -1.619) 3.616 10.414 ( -5.549 0.000 0.953) 5.631 10.499 ( 1.494 0.000 2.852) 3.220 10.567 ( -4.643 0.000 -2.691) 5.367 10.617 ( 1.417 0.000 -1.686) 2.203 10.762 ( 1.169 0.000 1.145) 1.636 10.783 ( 5.115 0.000 -6.103) 7.963 10.979 ( -2.995 0.000 11.803) 12.177 11.098 ( 4.457 0.000 -0.119) 4.459 11.120 ( -4.114 0.000 1.614) 4.419 11.254 ( 6.222 0.000 5.259) 8.147 11.257 ( 0.762 0.000 -5.722) 5.773 11.326 ( 7.192 0.000 -5.582) 9.104 11.385 ( -8.442 0.000 9.268) 12.536 11.461 ( -1.367 0.000 -5.830) 5.988 11.487 ( -0.077 0.000 6.868) 6.868 11.644 ( 1.242 0.000 -5.232) 5.377 11.863 ( 7.036 0.000 -4.115) 8.151 11.955 ( -5.841 0.000 2.272) 6.268 12.133 ( 6.384 0.000 -3.666) 7.362 12.157 ( 3.057 0.000 -1.548) 3.426 12.273 ( 2.962 0.000 4.255) 5.185 12.557 ( -3.776 0.000 11.542) 12.144 12.627 ( -4.786 0.000 -13.169) 14.012 12.629 ( -1.469 0.000 0.784) 1.665 12.668 ( 6.904 0.000 7.844) 10.449 12.739 ( 0.972 0.000 5.877) 5.957 12.900 ( 2.713 0.000 -6.226) 6.791 13.040 ( -1.186 0.000 -0.787) 1.423 13.075 ( 1.576 0.000 1.007) 1.870 13.160 ( 6.327 0.000 -6.404) 9.002 13.200 ( 11.467 0.000 -1.964) 11.634 13.306 ( -4.806 0.000 -3.373) 5.871 13.521 ( 2.110 0.000 -6.978) 7.290 13.559 ( -2.759 0.000 -4.792) 5.529 13.994 ( 15.141 0.000 -0.132) 15.141 14.034 ( 5.172 0.000 3.381) 6.179 14.314 ( -3.033 0.000 -4.972) 5.824 14.331 ( 5.813 0.000 8.418) 10.230 14.397 ( 8.744 0.000 7.898) 11.783 14.410 ( 10.867 0.000 -1.185) 10.931 14.562 ( -20.964 0.000 1.881) 21.049 14.914 ( -1.433 0.000 5.392) 5.579 14.940 ( -10.148 0.000 -6.953) 12.301 15.047 ( 4.857 0.000 -7.445) 8.890 15.128 ( 4.926 0.000 -5.088) 7.082 15.157 ( -6.869 0.000 4.516) 8.220 15.295 ( -1.494 0.000 5.097) 5.311 15.343 ( 1.030 0.000 -4.931) 5.038 15.946 ( 0.262 0.000 9.711) 9.715 16.205 ( -3.144 0.000 -4.285) 5.315 16.429 ( 1.154 0.000 -1.820) 2.155 16.474 ( -5.246 0.000 4.669) 7.023 16.543 ( -3.790 0.000 -2.019) 4.294 16.557 ( -6.544 0.000 -2.206) 6.906 16.893 ( 2.440 0.000 -3.180) 4.008 16.897 ( -5.084 0.000 3.245) 6.031 20.908 ( 3.628 0.000 -0.873) 3.731 20.921 ( 0.871 0.000 -0.063) 0.873 21.184 ( -1.596 0.000 7.663) 7.828 21.223 ( 7.229 0.000 -3.167) 7.893 21.873 ( 1.184 0.000 5.083) 5.219 22.033 ( -2.154 0.000 -3.789) 4.359 22.237 ( 7.567 0.000 3.663) 8.407 22.243 ( -1.144 0.000 13.563) 13.611 22.484 ( -0.297 0.000 1.249) 1.284 22.572 ( 1.161 0.000 -5.180) 5.309 22.679 ( -0.779 0.000 2.141) 2.279 22.716 ( -1.529 0.000 -1.964) 2.489 23.319 ( -0.751 0.000 -7.596) 7.633 23.420 ( 5.046 0.000 -2.270) 5.533 23.565 ( -1.202 0.000 -9.167) 9.245 23.801 ( -13.540 0.000 -0.894) 13.569 23.871 ( -2.419 0.000 -0.176) 2.425 23.888 ( 0.084 0.000 -2.316) 2.317 24.135 ( 15.431 0.000 -1.175) 15.476 24.324 ( -4.952 0.000 6.739) 8.363 24.680 ( -8.618 0.000 6.747) 10.945 24.830 ( -2.681 0.000 -8.466) 8.881 25.191 ( 6.617 0.000 -7.870) 10.282 25.291 ( -16.351 0.000 7.933) 18.174 26.879 ( 1.755 0.000 0.831) 1.941 26.916 ( 1.497 0.000 -1.485) 2.109 27.028 ( -0.124 0.000 3.014) 3.017 27.052 ( 3.681 0.000 -2.327) 4.355 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -31.364 0.000 5.652) 31.869 2.404 ( -33.175 0.000 7.045) 33.915 2.633 ( -11.201 0.000 -9.371) 14.604 2.798 ( 3.211 0.000 2.643) 4.159 2.804 ( 5.113 0.000 2.426) 5.659 2.918 ( 12.316 0.000 1.107) 12.366 2.965 ( 8.030 0.000 3.360) 8.704 3.094 ( -2.137 0.000 -1.214) 2.457 3.197 ( 2.063 0.000 -3.668) 4.208 3.227 ( 1.245 0.000 2.133) 2.470 3.243 ( -9.431 0.000 2.720) 9.815 3.305 ( 3.887 0.000 -1.994) 4.369 3.445 ( 14.987 0.000 -2.399) 15.178 3.475 ( 7.804 0.000 -0.799) 7.845 3.517 ( -16.081 0.000 -10.487) 19.198 3.691 ( -3.526 0.000 1.383) 3.788 3.706 ( 3.119 0.000 1.288) 3.374 3.747 ( 11.005 0.000 5.896) 12.485 3.833 ( -0.133 0.000 5.243) 5.244 3.894 ( -5.475 0.000 -2.261) 5.923 3.957 ( -10.191 0.000 3.465) 10.764 4.111 ( 0.352 0.000 -2.973) 2.994 4.196 ( 5.195 0.000 6.637) 8.428 4.250 ( -2.345 0.000 2.055) 3.118 4.296 ( -5.427 0.000 -3.041) 6.221 4.336 ( -8.250 0.000 2.239) 8.548 4.406 ( 5.737 0.000 -0.423) 5.753 4.434 ( -7.734 0.000 -9.101) 11.943 4.498 ( -4.303 0.000 -7.190) 8.379 4.529 ( 1.687 0.000 6.477) 6.693 4.575 ( -12.504 0.000 8.666) 15.213 4.925 ( -11.907 0.000 3.267) 12.347 4.984 ( 5.592 0.000 0.973) 5.676 4.997 ( 3.493 0.000 1.220) 3.700 5.076 ( 10.808 0.000 -1.057) 10.860 5.242 ( 5.804 0.000 -10.019) 11.579 5.335 ( -1.607 0.000 8.765) 8.911 5.356 ( 4.753 0.000 4.848) 6.789 5.416 ( 4.007 0.000 -3.187) 5.119 5.494 ( -3.271 0.000 -13.016) 13.421 5.566 ( 2.291 0.000 -2.926) 3.716 5.566 ( 2.464 0.000 -1.777) 3.038 5.684 ( -3.003 0.000 2.796) 4.103 5.769 ( -6.036 0.000 3.022) 6.751 5.840 ( -3.708 0.000 -2.378) 4.405 5.906 ( 0.112 0.000 4.663) 4.664 5.941 ( -9.802 0.000 -1.860) 9.977 6.022 ( 0.465 0.000 5.493) 5.513 6.121 ( 4.004 0.000 -0.816) 4.087 6.277 ( 6.588 0.000 -7.676) 10.116 6.337 ( -2.071 0.000 2.732) 3.428 6.338 ( -6.219 0.000 -10.543) 12.240 6.480 ( -1.022 0.000 -5.498) 5.592 6.526 ( 5.206 0.000 0.818) 5.270 6.643 ( -8.376 0.000 1.445) 8.500 6.747 ( 7.683 0.000 1.181) 7.773 6.769 ( 3.558 0.000 4.231) 5.529 6.771 ( 11.158 0.000 7.439) 13.410 6.839 ( 8.249 0.000 -5.203) 9.753 6.981 ( 15.234 0.000 1.466) 15.305 7.091 ( -3.925 0.000 -1.594) 4.237 7.118 ( -1.958 0.000 -0.542) 2.032 7.341 ( -2.166 0.000 3.905) 4.466 7.385 ( 0.692 0.000 1.127) 1.322 7.428 ( 2.087 0.000 -0.816) 2.241 7.481 ( 4.860 0.000 -5.577) 7.398 7.608 ( -5.407 0.000 -4.162) 6.823 7.781 ( 8.478 0.000 4.736) 9.711 7.878 ( 2.938 0.000 5.962) 6.647 7.944 ( -1.792 0.000 2.771) 3.300 7.959 ( -4.705 0.000 -4.974) 6.847 8.084 ( 4.229 0.000 -3.488) 5.482 8.349 ( -3.541 0.000 2.628) 4.410 8.414 ( -1.187 0.000 0.912) 1.496 8.579 ( -4.589 0.000 6.838) 8.236 8.694 ( -1.237 0.000 1.803) 2.187 8.755 ( 1.387 0.000 6.788) 6.928 8.832 ( 6.485 0.000 -5.063) 8.227 8.847 ( -6.073 0.000 -2.525) 6.577 8.930 ( 3.188 0.000 0.486) 3.225 8.997 ( 1.349 0.000 2.345) 2.705 9.041 ( -0.028 0.000 -4.818) 4.819 9.226 ( -1.784 0.000 -3.209) 3.671 9.243 ( 5.909 0.000 4.278) 7.295 9.388 ( -0.987 0.000 0.796) 1.268 9.393 ( -3.923 0.000 2.151) 4.475 9.551 ( -4.026 0.000 8.589) 9.486 9.631 ( -7.702 0.000 -1.315) 7.813 9.772 ( -3.930 0.000 4.763) 6.175 9.831 ( 4.454 0.000 0.277) 4.462 9.888 ( 3.014 0.000 -1.257) 3.265 10.021 ( 9.205 0.000 -11.269) 14.551 10.141 ( 3.475 0.000 -1.479) 3.776 10.201 ( 1.335 0.000 -2.504) 2.838 10.277 ( 3.663 0.000 -0.406) 3.685 10.304 ( -2.373 0.000 -1.863) 3.017 10.471 ( 5.691 0.000 4.900) 7.510 10.502 ( 0.799 0.000 -3.598) 3.686 10.555 ( 0.412 0.000 3.214) 3.240 10.562 ( -2.822 0.000 -3.171) 4.244 10.691 ( -6.554 0.000 2.431) 6.990 10.803 ( 0.216 0.000 -3.452) 3.459 11.049 ( -1.346 0.000 7.755) 7.871 11.108 ( -1.769 0.000 0.605) 1.869 11.116 ( -1.340 0.000 4.459) 4.656 11.205 ( -9.014 0.000 7.289) 11.593 11.223 ( 1.622 0.000 -8.476) 8.630 11.347 ( -3.044 0.000 -5.494) 6.281 11.363 ( 0.917 0.000 5.414) 5.491 11.525 ( 11.208 0.000 -4.112) 11.939 11.573 ( 3.341 0.000 3.058) 4.530 11.640 ( 1.867 0.000 -8.515) 8.717 11.822 ( -7.793 0.000 -1.003) 7.857 11.991 ( 7.407 0.000 -0.856) 7.456 12.093 ( -7.995 0.000 0.230) 7.998 12.167 ( -0.888 0.000 -3.454) 3.566 12.379 ( 3.309 0.000 9.229) 9.805 12.426 ( -5.983 0.000 -10.700) 12.259 12.551 ( -3.640 0.000 9.614) 10.279 12.583 ( -4.632 0.000 5.194) 6.959 12.747 ( -6.099 0.000 3.886) 7.232 12.861 ( 3.413 0.000 1.903) 3.908 12.910 ( 5.707 0.000 -0.187) 5.710 13.002 ( 4.708 0.000 -13.145) 13.962 13.077 ( -3.203 0.000 2.311) 3.950 13.120 ( -6.173 0.000 -3.763) 7.229 13.156 ( -8.882 0.000 -0.401) 8.891 13.378 ( 6.179 0.000 -5.828) 8.494 13.453 ( -6.246 0.000 -0.124) 6.247 13.511 ( 0.232 0.000 -0.753) 0.788 14.029 ( -16.300 0.000 -2.793) 16.537 14.094 ( -6.293 0.000 -3.850) 7.377 14.179 ( -7.816 0.000 8.811) 11.778 14.347 ( 9.741 0.000 4.291) 10.645 14.391 ( 0.861 0.000 0.709) 1.115 14.564 ( -10.303 0.000 -6.712) 12.297 14.676 ( 7.309 0.000 -9.039) 11.625 14.754 ( 17.078 0.000 10.574) 20.086 14.925 ( -4.994 0.000 6.677) 8.338 15.042 ( -5.462 0.000 3.198) 6.329 15.075 ( 4.113 0.000 -11.294) 12.020 15.242 ( 6.965 0.000 -4.149) 8.107 15.278 ( -1.457 0.000 2.278) 2.704 15.384 ( 5.032 0.000 -4.574) 6.800 16.049 ( 3.604 0.000 11.961) 12.492 16.122 ( -2.671 0.000 -7.751) 8.198 16.439 ( -2.289 0.000 -2.356) 3.285 16.486 ( 2.368 0.000 3.632) 4.336 16.507 ( 7.100 0.000 1.103) 7.185 16.551 ( 6.188 0.000 -1.803) 6.446 16.831 ( -3.398 0.000 3.317) 4.748 16.948 ( 4.185 0.000 -2.091) 4.678 20.910 ( -1.964 0.000 -0.650) 2.069 20.935 ( 0.155 0.000 -1.688) 1.695 21.147 ( -5.419 0.000 4.458) 7.017 21.325 ( 5.742 0.000 -6.393) 8.594 21.937 ( 1.505 0.000 6.076) 6.260 21.961 ( -2.031 0.000 -4.045) 4.526 22.265 ( -4.638 0.000 5.369) 7.094 22.387 ( 4.908 0.000 0.276) 4.915 22.481 ( -1.050 0.000 3.071) 3.245 22.527 ( -1.544 0.000 -5.125) 5.353 22.688 ( 0.542 0.000 1.104) 1.230 22.711 ( 1.517 0.000 -1.013) 1.824 23.290 ( 1.204 0.000 3.899) 4.081 23.292 ( -4.784 0.000 -4.184) 6.355 23.520 ( -12.848 0.000 -1.852) 12.981 23.774 ( 11.395 0.000 1.375) 11.478 23.846 ( 1.771 0.000 1.278) 2.184 23.890 ( 1.433 0.000 -1.752) 2.263 24.151 ( -12.708 0.000 -1.306) 12.775 24.433 ( 10.377 0.000 -5.011) 11.524 24.631 ( 2.409 0.000 11.728) 11.972 24.801 ( 6.084 0.000 -5.974) 8.527 25.046 ( -12.953 0.000 7.489) 14.962 25.402 ( 15.399 0.000 -3.960) 15.900 26.890 ( -1.474 0.000 1.235) 1.923 26.900 ( -2.097 0.000 -1.303) 2.469 27.010 ( -3.361 0.000 2.087) 3.956 27.087 ( 1.442 0.000 -2.876) 3.217 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -33.474 0.000 10.059) 34.953 1.806 ( -33.207 0.000 15.493) 36.643 2.308 ( -11.814 0.000 -12.559) 17.242 2.752 ( -29.177 0.000 0.249) 29.178 2.814 ( -1.371 0.000 4.708) 4.904 2.839 ( -7.981 0.000 6.127) 10.062 2.910 ( -12.845 0.000 -4.907) 13.750 3.024 ( -3.788 0.000 2.509) 4.544 3.116 ( 1.198 0.000 -5.261) 5.395 3.215 ( 3.021 0.000 -1.458) 3.354 3.249 ( 2.902 0.000 -0.821) 3.016 3.374 ( 1.002 0.000 -0.721) 1.234 3.456 ( 4.105 0.000 3.805) 5.597 3.552 ( -5.289 0.000 10.534) 11.787 3.620 ( -2.571 0.000 8.444) 8.827 3.692 ( -6.686 0.000 -6.092) 9.046 3.701 ( 3.316 0.000 -3.688) 4.960 3.731 ( -1.383 0.000 -0.840) 1.618 3.757 ( 2.269 0.000 -0.916) 2.447 3.879 ( 8.940 0.000 -3.212) 9.500 3.932 ( -2.717 0.000 -6.173) 6.745 4.074 ( -7.185 0.000 2.564) 7.629 4.085 ( -8.608 0.000 -1.344) 8.712 4.192 ( -10.697 0.000 0.325) 10.702 4.246 ( 11.163 0.000 4.873) 12.180 4.301 ( 4.176 0.000 -2.595) 4.916 4.304 ( -2.002 0.000 2.066) 2.877 4.403 ( 1.901 0.000 -8.978) 9.177 4.502 ( 1.742 0.000 0.228) 1.757 4.622 ( 2.278 0.000 5.026) 5.518 4.701 ( 8.105 0.000 9.699) 12.640 4.741 ( -5.594 0.000 2.753) 6.235 4.989 ( -13.797 0.000 -10.179) 17.145 5.043 ( -4.432 0.000 -8.575) 9.653 5.102 ( 3.775 0.000 -1.201) 3.961 5.199 ( -9.919 0.000 -3.775) 10.613 5.292 ( 3.806 0.000 5.229) 6.467 5.314 ( -3.661 0.000 3.789) 5.269 5.414 ( 0.319 0.000 -1.013) 1.062 5.521 ( 5.847 0.000 5.417) 7.971 5.561 ( -1.426 0.000 -0.750) 1.611 5.568 ( -6.681 0.000 0.449) 6.696 5.665 ( -8.138 0.000 1.737) 8.321 5.693 ( 10.589 0.000 -7.592) 13.030 5.843 ( -9.734 0.000 -0.458) 9.745 5.863 ( 2.298 0.000 -4.484) 5.038 5.912 ( 4.563 0.000 0.859) 4.643 5.981 ( -6.656 0.000 3.033) 7.314 6.127 ( 0.540 0.000 -5.100) 5.129 6.189 ( -7.792 0.000 -1.161) 7.878 6.260 ( 3.792 0.000 -6.101) 7.183 6.323 ( 4.485 0.000 1.988) 4.906 6.538 ( 15.567 0.000 -7.325) 17.204 6.637 ( 5.059 0.000 3.741) 6.292 6.721 ( 7.120 0.000 1.902) 7.370 6.777 ( -2.288 0.000 -4.479) 5.029 6.802 ( 6.629 0.000 -5.716) 8.753 7.019 ( 4.728 0.000 1.861) 5.081 7.065 ( -1.341 0.000 0.072) 1.343 7.156 ( 3.252 0.000 7.131) 7.838 7.182 ( 13.313 0.000 3.596) 13.790 7.241 ( 10.891 0.000 6.430) 12.647 7.359 ( 1.609 0.000 2.786) 3.217 7.402 ( 6.118 0.000 4.081) 7.354 7.511 ( 6.573 0.000 -1.374) 6.715 7.517 ( 3.137 0.000 -6.423) 7.148 7.632 ( 6.560 0.000 -5.505) 8.564 7.814 ( -2.786 0.000 -1.446) 3.139 7.850 ( -2.604 0.000 5.742) 6.305 7.980 ( 2.101 0.000 -1.815) 2.776 8.033 ( 6.188 0.000 3.700) 7.209 8.111 ( 0.635 0.000 -1.928) 2.030 8.303 ( -0.862 0.000 0.524) 1.008 8.393 ( -0.939 0.000 3.014) 3.157 8.574 ( -0.661 0.000 5.401) 5.441 8.664 ( -8.300 0.000 -1.818) 8.497 8.675 ( -5.067 0.000 9.627) 10.879 8.825 ( 1.966 0.000 -0.746) 2.103 8.865 ( 1.410 0.000 -10.112) 10.210 8.957 ( -2.503 0.000 -8.946) 9.290 8.957 ( -0.813 0.000 -0.063) 0.815 9.051 ( 4.751 0.000 -5.402) 7.194 9.248 ( 2.304 0.000 2.702) 3.551 9.314 ( -5.185 0.000 7.296) 8.951 9.411 ( 3.643 0.000 5.627) 6.703 9.418 ( 2.035 0.000 6.910) 7.204 9.456 ( -7.671 0.000 -1.115) 7.752 9.551 ( 2.004 0.000 5.966) 6.293 9.755 ( 0.905 0.000 0.812) 1.216 9.872 ( -0.559 0.000 0.085) 0.565 9.971 ( 2.994 0.000 4.027) 5.018 10.096 ( 3.026 0.000 -6.421) 7.098 10.197 ( 4.534 0.000 -7.377) 8.659 10.257 ( -3.319 0.000 1.706) 3.732 10.301 ( 9.921 0.000 -0.777) 9.951 10.362 ( 7.668 0.000 -6.499) 10.051 10.492 ( 0.345 0.000 1.260) 1.306 10.516 ( -3.957 0.000 0.026) 3.957 10.550 ( 2.911 0.000 -1.090) 3.108 10.587 ( -4.076 0.000 5.350) 6.726 10.693 ( 8.582 0.000 1.409) 8.697 10.740 ( -3.652 0.000 -4.477) 5.778 10.838 ( -13.047 0.000 1.368) 13.119 11.027 ( -6.121 0.000 -0.114) 6.123 11.161 ( -0.041 0.000 7.526) 7.526 11.239 ( 1.478 0.000 6.467) 6.634 11.272 ( 6.776 0.000 -4.370) 8.063 11.304 ( 3.728 0.000 -8.307) 9.105 11.356 ( -4.460 0.000 4.613) 6.416 11.580 ( -2.640 0.000 -7.889) 8.319 11.627 ( 1.130 0.000 0.065) 1.132 11.634 ( -0.626 0.000 -6.211) 6.243 11.714 ( 0.571 0.000 2.340) 2.408 11.922 ( -7.336 0.000 -0.053) 7.336 12.047 ( -6.892 0.000 -6.806) 9.686 12.145 ( 6.934 0.000 -0.122) 6.935 12.275 ( -3.447 0.000 -7.238) 8.016 12.454 ( -7.816 0.000 7.108) 10.565 12.483 ( -9.755 0.000 5.658) 11.278 12.518 ( -5.343 0.000 7.754) 9.416 12.553 ( -8.145 0.000 -0.114) 8.146 12.881 ( 3.095 0.000 -4.278) 5.280 12.899 ( -15.249 0.000 0.306) 15.252 12.903 ( -8.860 0.000 -0.596) 8.880 12.985 ( -3.409 0.000 1.306) 3.651 13.061 ( 3.484 0.000 -9.831) 10.430 13.105 ( 1.996 0.000 -3.417) 3.957 13.324 ( -4.398 0.000 0.212) 4.403 13.349 ( -5.913 0.000 6.044) 8.456 13.550 ( 1.453 0.000 2.499) 2.891 13.731 ( -9.872 0.000 3.901) 10.614 13.986 ( -1.558 0.000 -3.517) 3.846 14.087 ( -3.334 0.000 0.905) 3.454 14.279 ( -9.664 0.000 -10.021) 13.922 14.403 ( -4.061 0.000 -6.684) 7.821 14.462 ( 2.485 0.000 0.330) 2.507 14.733 ( -1.503 0.000 -0.634) 1.632 14.776 ( -11.109 0.000 4.498) 11.985 14.926 ( -5.787 0.000 0.265) 5.793 15.118 ( 2.641 0.000 -10.823) 11.140 15.167 ( 14.918 0.000 10.723) 18.372 15.273 ( 1.290 0.000 -7.015) 7.133 15.314 ( 1.779 0.000 2.733) 3.261 15.480 ( 9.511 0.000 -2.995) 9.971 16.021 ( -1.723 0.000 -6.273) 6.505 16.263 ( 10.137 0.000 8.635) 13.316 16.394 ( -1.905 0.000 -0.391) 1.945 16.618 ( 7.410 0.000 5.155) 9.027 16.687 ( 10.355 0.000 -2.625) 10.683 16.713 ( 9.694 0.000 -0.399) 9.702 16.843 ( 3.159 0.000 3.701) 4.866 17.018 ( 3.996 0.000 -1.265) 4.191 20.839 ( -4.074 0.000 -1.854) 4.476 20.909 ( -1.099 0.000 -1.811) 2.119 21.055 ( -5.784 0.000 2.700) 6.383 21.324 ( -0.930 0.000 -13.824) 13.855 21.910 ( -0.573 0.000 -3.849) 3.892 21.993 ( -0.771 0.000 5.410) 5.464 22.105 ( -10.048 0.000 -2.674) 10.398 22.388 ( -0.656 0.000 -9.422) 9.445 22.476 ( -2.193 0.000 3.945) 4.513 22.510 ( 1.454 0.000 -0.705) 1.616 22.721 ( 1.500 0.000 2.372) 2.807 22.732 ( 1.502 0.000 -2.250) 2.706 23.228 ( -3.103 0.000 4.360) 5.352 23.247 ( -8.850 0.000 -1.535) 8.982 23.553 ( 13.908 0.000 19.777) 24.178 23.824 ( -1.969 0.000 6.711) 6.994 23.919 ( 2.147 0.000 -0.720) 2.264 23.920 ( -6.402 0.000 -4.090) 7.597 24.064 ( 12.050 0.000 -1.558) 12.150 24.437 ( -1.087 0.000 -3.390) 3.560 24.769 ( -4.169 0.000 2.000) 4.624 24.938 ( 9.827 0.000 -4.175) 10.677 25.065 ( 12.366 0.000 17.647) 21.548 25.687 ( 15.470 0.000 -3.650) 15.895 26.831 ( -3.881 0.000 -0.751) 3.953 26.841 ( -4.072 0.000 1.271) 4.266 26.928 ( -6.047 0.000 1.568) 6.247 27.061 ( -1.899 0.000 -5.140) 5.480 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -13.551 0.000 28.663) 31.705 1.392 ( -20.534 0.000 27.128) 34.023 2.060 ( -2.598 0.000 -18.196) 18.380 2.120 ( -34.227 0.000 18.203) 38.766 2.471 ( -13.263 0.000 -15.867) 20.680 2.745 ( -10.332 0.000 -2.875) 10.725 2.931 ( 1.625 0.000 9.652) 9.788 3.033 ( 1.266 0.000 6.128) 6.257 3.054 ( -0.048 0.000 -4.926) 4.927 3.227 ( -1.099 0.000 -2.270) 2.521 3.280 ( -0.158 0.000 0.036) 0.162 3.395 ( 1.462 0.000 -2.566) 2.953 3.445 ( -2.953 0.000 14.201) 14.505 3.508 ( -4.950 0.000 -0.220) 4.955 3.525 ( -6.283 0.000 -0.409) 6.296 3.612 ( -9.514 0.000 5.428) 10.954 3.675 ( 2.555 0.000 -4.296) 4.998 3.691 ( -1.039 0.000 -4.668) 4.782 3.807 ( 3.363 0.000 -3.619) 4.940 3.831 ( -3.670 0.000 -0.449) 3.697 3.979 ( 2.353 0.000 2.949) 3.773 4.041 ( 6.562 0.000 -4.375) 7.887 4.056 ( -4.964 0.000 1.344) 5.143 4.110 ( 3.922 0.000 8.491) 9.353 4.237 ( -7.040 0.000 -1.386) 7.175 4.295 ( 1.262 0.000 0.907) 1.554 4.384 ( 3.462 0.000 -6.747) 7.584 4.440 ( 0.033 0.000 -8.711) 8.711 4.581 ( 9.129 0.000 -5.554) 10.686 4.644 ( -2.404 0.000 0.172) 2.410 4.723 ( -4.359 0.000 -2.242) 4.902 4.727 ( 4.379 0.000 0.691) 4.433 4.882 ( 1.323 0.000 -8.091) 8.198 4.941 ( 5.219 0.000 6.094) 8.023 5.126 ( 0.534 0.000 -0.860) 1.013 5.135 ( 0.550 0.000 -3.595) 3.637 5.207 ( -10.505 0.000 2.228) 10.739 5.220 ( -4.504 0.000 2.276) 5.046 5.378 ( -4.512 0.000 -7.721) 8.943 5.406 ( -6.735 0.000 -1.109) 6.826 5.536 ( -4.524 0.000 2.939) 5.395 5.555 ( -9.942 0.000 4.818) 11.048 5.619 ( 2.332 0.000 -4.253) 4.850 5.622 ( -9.071 0.000 -4.313) 10.044 5.720 ( -5.606 0.000 -2.798) 6.266 5.821 ( 2.327 0.000 -4.576) 5.133 5.933 ( 0.087 0.000 8.825) 8.825 5.956 ( -1.846 0.000 1.590) 2.437 6.144 ( 7.403 0.000 -3.439) 8.162 6.181 ( 5.663 0.000 -0.711) 5.708 6.442 ( 4.514 0.000 -2.534) 5.176 6.446 ( 13.382 0.000 3.220) 13.763 6.652 ( -2.920 0.000 -1.133) 3.132 6.805 ( 3.587 0.000 1.018) 3.729 6.849 ( 9.835 0.000 1.733) 9.987 6.870 ( 15.522 0.000 0.324) 15.525 6.923 ( 6.381 0.000 -0.303) 6.388 7.014 ( -3.986 0.000 -1.636) 4.308 7.090 ( -0.997 0.000 3.879) 4.005 7.138 ( 0.539 0.000 -2.555) 2.611 7.392 ( 4.494 0.000 -2.656) 5.220 7.419 ( 1.833 0.000 0.547) 1.913 7.485 ( 6.396 0.000 -5.888) 8.694 7.490 ( -2.033 0.000 6.231) 6.554 7.575 ( 7.903 0.000 8.752) 11.792 7.607 ( 2.691 0.000 -2.689) 3.804 7.715 ( 6.905 0.000 1.069) 6.987 7.783 ( -5.020 0.000 0.293) 5.029 7.944 ( -4.241 0.000 0.562) 4.278 7.969 ( 15.701 0.000 1.275) 15.753 8.137 ( 3.141 0.000 1.692) 3.568 8.185 ( 3.798 0.000 2.813) 4.726 8.296 ( 0.519 0.000 -5.699) 5.723 8.401 ( 0.423 0.000 -0.563) 0.704 8.544 ( -5.197 0.000 2.792) 5.899 8.577 ( -13.492 0.000 13.277) 18.929 8.623 ( 4.883 0.000 0.019) 4.884 8.790 ( -1.787 0.000 -8.323) 8.512 8.857 ( 4.163 0.000 -5.196) 6.658 8.860 ( -1.175 0.000 -8.157) 8.241 8.922 ( -2.104 0.000 -1.892) 2.830 9.004 ( -7.349 0.000 3.317) 8.063 9.253 ( -1.050 0.000 5.109) 5.216 9.343 ( 3.778 0.000 -1.220) 3.970 9.435 ( 4.234 0.000 6.014) 7.355 9.475 ( 3.185 0.000 3.355) 4.626 9.556 ( 4.927 0.000 6.750) 8.357 9.678 ( 3.391 0.000 5.024) 6.061 9.817 ( 4.986 0.000 -0.731) 5.039 9.833 ( -3.182 0.000 1.381) 3.468 9.982 ( -5.488 0.000 0.995) 5.577 10.077 ( -1.186 0.000 -3.657) 3.844 10.177 ( -0.789 0.000 -5.850) 5.903 10.263 ( 3.168 0.000 5.006) 5.924 10.331 ( -11.727 0.000 -8.287) 14.359 10.444 ( 6.306 0.000 -0.658) 6.340 10.510 ( -0.458 0.000 -1.282) 1.361 10.528 ( 4.838 0.000 -6.629) 8.207 10.558 ( 1.104 0.000 -0.050) 1.106 10.591 ( 3.291 0.000 1.403) 3.577 10.713 ( 7.009 0.000 -3.924) 8.033 10.726 ( 1.551 0.000 5.919) 6.119 10.875 ( 3.324 0.000 3.194) 4.610 10.895 ( -5.197 0.000 -6.217) 8.103 11.153 ( -4.713 0.000 3.291) 5.748 11.274 ( -1.285 0.000 1.667) 2.104 11.307 ( -2.427 0.000 -6.032) 6.502 11.313 ( -1.517 0.000 7.716) 7.863 11.393 ( 6.365 0.000 1.959) 6.660 11.453 ( -2.271 0.000 -9.417) 9.687 11.590 ( 1.239 0.000 -3.870) 4.063 11.632 ( 0.101 0.000 -0.875) 0.881 11.738 ( -0.924 0.000 6.300) 6.367 11.860 ( -6.805 0.000 -3.027) 7.448 11.905 ( 6.940 0.000 -3.915) 7.968 12.036 ( -14.960 0.000 -2.357) 15.145 12.139 ( -10.758 0.000 -7.786) 13.280 12.287 ( -8.309 0.000 3.537) 9.030 12.358 ( -3.385 0.000 0.164) 3.389 12.445 ( -4.332 0.000 -1.978) 4.762 12.505 ( -2.490 0.000 6.574) 7.030 12.615 ( -16.725 0.000 -3.685) 17.126 12.632 ( -9.247 0.000 2.952) 9.706 12.914 ( -10.396 0.000 -5.201) 11.625 12.955 ( -4.567 0.000 11.336) 12.222 12.958 ( 5.279 0.000 -6.196) 8.140 13.045 ( 2.182 0.000 -9.003) 9.264 13.300 ( -3.705 0.000 3.097) 4.829 13.306 ( -2.275 0.000 6.926) 7.290 13.607 ( -0.735 0.000 5.963) 6.008 13.679 ( -1.844 0.000 8.786) 8.977 13.915 ( -3.923 0.000 -7.603) 8.556 14.064 ( -4.062 0.000 -11.131) 11.848 14.121 ( 7.287 0.000 -4.899) 8.781 14.232 ( -2.370 0.000 -4.621) 5.193 14.421 ( -6.072 0.000 0.994) 6.153 14.592 ( -8.141 0.000 -2.016) 8.387 14.628 ( -9.698 0.000 5.595) 11.196 14.872 ( -0.705 0.000 5.993) 6.035 15.040 ( -1.612 0.000 -1.870) 2.469 15.253 ( 0.850 0.000 -9.667) 9.704 15.303 ( -2.360 0.000 -2.122) 3.174 15.484 ( 8.756 0.000 10.329) 13.541 15.682 ( 9.860 0.000 -1.686) 10.003 16.007 ( 2.702 0.000 -1.026) 2.890 16.279 ( -4.977 0.000 -3.350) 6.000 16.547 ( 8.550 0.000 8.321) 11.931 16.810 ( 7.691 0.000 4.931) 9.136 16.818 ( 5.659 0.000 -6.145) 8.354 16.894 ( 7.563 0.000 -0.081) 7.563 16.975 ( 6.561 0.000 1.874) 6.823 17.080 ( 2.504 0.000 -0.756) 2.616 20.755 ( -2.252 0.000 -2.540) 3.394 20.886 ( 0.029 0.000 -1.530) 1.530 20.967 ( -4.456 0.000 1.456) 4.688 21.059 ( -14.831 0.000 -14.269) 20.581 21.876 ( -6.861 0.000 2.155) 7.191 21.888 ( 0.711 0.000 -3.726) 3.793 22.056 ( -1.930 0.000 9.225) 9.425 22.311 ( -0.385 0.000 -9.467) 9.475 22.454 ( -2.077 0.000 3.269) 3.873 22.526 ( 1.208 0.000 -3.303) 3.517 22.749 ( 1.849 0.000 -1.864) 2.625 22.753 ( -0.178 0.000 2.446) 2.453 23.118 ( -2.967 0.000 -0.627) 3.033 23.178 ( -5.001 0.000 4.101) 6.467 23.808 ( -0.798 0.000 4.134) 4.210 23.905 ( 2.018 0.000 4.550) 4.978 23.952 ( 2.165 0.000 -0.400) 2.202 23.989 ( 12.201 0.000 4.910) 13.152 24.233 ( 6.394 0.000 -2.836) 6.995 24.418 ( 1.168 0.000 -5.807) 5.923 24.764 ( 5.593 0.000 10.737) 12.107 25.088 ( 7.062 0.000 -4.177) 8.205 25.524 ( 21.620 0.000 16.859) 27.417 25.932 ( 10.479 0.000 -2.136) 10.694 26.757 ( -2.756 0.000 -0.305) 2.773 26.759 ( -4.652 0.000 0.911) 4.740 26.810 ( -5.708 0.000 0.422) 5.724 26.921 ( -8.952 0.000 -6.414) 11.012 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -1.741 4.728 28.703) 29.142 1.554 ( 1.269 15.987 26.889) 31.308 1.939 ( 6.891 0.418 -22.302) 23.346 2.074 ( -3.757 7.283 -24.566) 25.897 2.471 ( 3.809 26.272 15.643) 30.813 2.591 ( -3.161 0.946 0.601) 3.354 2.893 ( -0.207 -5.364 3.648) 6.490 2.932 ( -0.979 -3.184 -1.849) 3.810 3.126 ( 1.809 -8.965 6.541) 11.244 3.156 ( 2.053 -2.297 2.772) 4.145 3.215 ( -2.495 -3.573 -1.409) 4.580 3.252 ( 1.111 -12.531 -3.521) 13.064 3.374 ( -3.207 3.474 -0.166) 4.731 3.439 ( 2.808 1.538 -5.461) 6.330 3.549 ( -3.529 4.611 11.307) 12.711 3.598 ( -2.532 1.210 8.783) 9.220 3.688 ( 2.402 0.961 -3.292) 4.187 3.749 ( -0.583 2.599 -4.231) 4.999 3.758 ( 1.176 4.382 1.257) 4.708 3.865 ( 3.294 -8.892 -3.068) 9.966 3.892 ( -2.427 -0.072 4.130) 4.791 4.094 ( -0.862 1.649 2.342) 2.991 4.130 ( -0.938 -0.993 -2.016) 2.435 4.179 ( 0.629 11.165 -14.440) 18.264 4.243 ( 2.671 -0.116 4.187) 4.968 4.291 ( 2.823 -0.045 -1.467) 3.182 4.469 ( -4.011 5.416 1.733) 6.958 4.532 ( 3.990 7.003 -5.743) 9.896 4.638 ( -3.088 3.802 -0.456) 4.920 4.685 ( 0.247 9.025 -5.049) 10.344 4.764 ( -2.305 -5.319 1.367) 5.956 4.788 ( 1.605 -0.624 0.072) 1.724 4.881 ( -2.331 -2.301 -0.629) 3.335 4.900 ( -1.355 -1.624 -2.941) 3.623 4.992 ( 0.017 4.288 5.726) 7.154 5.086 ( -0.332 2.058 -2.518) 3.269 5.213 ( 1.155 2.627 1.546) 3.259 5.256 ( -4.278 2.096 1.201) 4.913 5.330 ( 2.614 -0.529 1.651) 3.136 5.339 ( -4.927 -0.071 1.448) 5.136 5.430 ( 4.815 -6.545 2.278) 8.439 5.458 ( 3.364 -0.258 -0.978) 3.513 5.461 ( 0.938 4.222 -3.973) 5.873 5.553 ( -0.140 -4.452 -6.079) 7.536 5.627 ( -1.687 -1.217 4.286) 4.764 5.762 ( -1.133 -1.839 -8.182) 8.462 5.936 ( 1.279 -4.749 6.759) 8.359 6.037 ( 3.429 -4.954 0.791) 6.077 6.199 ( -0.248 0.697 0.356) 0.821 6.279 ( -0.076 1.751 -2.770) 3.278 6.514 ( -3.415 -3.820 1.625) 5.375 6.551 ( 2.405 1.731 -2.778) 4.062 6.600 ( 3.517 -7.764 1.746) 8.701 6.662 ( -2.410 -13.767 -0.210) 13.977 6.804 ( 1.755 -5.097 -2.234) 5.835 6.852 ( -0.383 0.620 -5.911) 5.955 6.963 ( -7.567 -3.239 1.908) 8.449 7.031 ( 2.007 -6.013 -3.629) 7.304 7.152 ( 4.512 -7.758 5.904) 10.743 7.237 ( -3.446 -1.801 -1.434) 4.144 7.365 ( 2.210 9.768 0.715) 10.040 7.375 ( -6.636 3.514 -0.418) 7.520 7.529 ( 2.130 -4.359 2.880) 5.642 7.560 ( 0.834 0.984 4.220) 4.412 7.631 ( 2.716 2.609 -1.812) 4.179 7.723 ( -3.203 4.666 -6.361) 8.514 7.783 ( 1.795 2.673 3.910) 5.066 7.827 ( 0.227 5.839 0.911) 5.914 8.053 ( -2.579 8.802 5.763) 10.832 8.138 ( -1.064 4.670 -1.253) 4.951 8.178 ( 1.638 -3.746 5.051) 6.498 8.223 ( -4.872 -3.724 1.506) 6.314 8.321 ( 2.350 1.174 3.553) 4.419 8.369 ( -1.194 2.673 0.519) 2.973 8.532 ( 2.196 6.010 1.160) 6.503 8.600 ( 1.575 5.836 -1.723) 6.286 8.645 ( 1.541 -0.414 3.261) 3.630 8.703 ( -4.711 0.058 -4.555) 6.554 8.791 ( -0.949 -2.522 0.766) 2.802 8.828 ( -5.640 -2.602 -2.404) 6.660 8.912 ( -2.188 2.059 0.590) 3.062 9.050 ( 10.199 2.568 -7.982) 13.203 9.255 ( -1.124 -1.909 2.293) 3.188 9.320 ( 4.431 -5.105 -3.554) 7.637 9.497 ( -1.005 -5.842 2.321) 6.365 9.549 ( 2.959 -5.043 -2.382) 6.313 9.687 ( -5.749 4.109 6.030) 9.290 9.747 ( 9.786 3.003 -0.436) 10.246 9.813 ( -2.710 4.028 4.228) 6.438 9.864 ( 0.080 1.515 3.193) 3.535 9.952 ( -6.770 -1.406 -5.015) 8.542 9.993 ( 2.489 4.314 -5.201) 7.201 10.106 ( -0.249 2.480 4.274) 4.948 10.189 ( -2.969 2.688 -1.765) 4.377 10.373 ( 8.580 -5.961 5.049) 11.603 10.451 ( -5.119 -6.095 0.096) 7.960 10.510 ( -2.134 2.039 -0.182) 2.957 10.530 ( -0.833 2.980 -1.394) 3.394 10.563 ( -2.844 1.058 -1.676) 3.467 10.608 ( -2.404 0.016 -4.313) 4.938 10.775 ( -2.358 0.970 1.893) 3.176 10.850 ( 2.382 2.720 2.404) 4.342 10.861 ( 5.839 3.338 0.961) 6.794 10.875 ( -2.090 1.149 -6.975) 7.372 11.074 ( -4.960 -6.561 1.917) 8.445 11.153 ( -2.710 -5.216 -5.044) 7.746 11.208 ( 0.030 0.973 5.381) 5.468 11.279 ( -2.188 -4.587 -1.130) 5.206 11.321 ( -2.720 -3.489 7.473) 8.684 11.473 ( 3.127 -1.375 -6.869) 7.671 11.565 ( -3.308 -4.953 1.172) 6.071 11.619 ( 3.501 -0.413 -4.127) 5.428 11.710 ( 9.504 0.182 0.143) 9.507 11.730 ( -4.032 1.157 -0.913) 4.293 11.900 ( 4.247 -1.696 5.065) 6.824 11.967 ( -2.365 -0.639 -1.968) 3.142 12.181 ( 6.858 0.689 -1.220) 7.000 12.219 ( -4.937 3.209 -5.246) 7.887 12.279 ( 3.061 -0.839 3.311) 4.586 12.320 ( 5.123 -1.085 -1.483) 5.443 12.383 ( -4.641 1.100 2.690) 5.476 12.454 ( -1.779 -0.230 -4.473) 4.820 12.718 ( 2.267 2.057 6.041) 6.772 12.782 ( 1.588 1.295 1.099) 2.325 12.900 ( -2.870 -2.120 -0.639) 3.625 12.926 ( -2.962 -2.048 -4.566) 5.815 13.030 ( 0.713 -7.109 1.070) 7.224 13.114 ( 1.068 -9.370 -4.710) 10.542 13.376 ( 0.002 6.758 7.003) 9.732 13.518 ( 2.681 2.970 -6.861) 7.943 13.874 ( 4.659 -1.584 11.934) 12.908 13.989 ( -5.009 -2.402 -0.720) 5.601 14.090 ( 2.732 12.762 -5.087) 14.007 14.119 ( -1.270 7.532 -7.100) 10.428 14.305 ( -3.196 2.672 3.463) 5.417 14.370 ( 3.356 3.298 -3.527) 5.880 14.440 ( -1.610 -1.531 5.126) 5.587 14.540 ( 1.867 0.012 -5.099) 5.430 14.863 ( 1.084 -5.155 7.837) 9.443 14.993 ( -0.857 -6.641 -4.767) 8.219 15.251 ( 1.180 6.613 0.067) 6.717 15.311 ( -3.432 6.598 -4.810) 8.857 15.628 ( -0.601 -0.811 6.879) 6.953 15.742 ( 1.521 -3.150 -4.438) 5.650 16.120 ( -0.443 4.251 6.300) 7.613 16.231 ( 0.581 6.095 -5.078) 7.954 16.670 ( 0.469 -2.335 7.932) 8.282 16.790 ( -0.852 -4.739 -4.193) 6.385 16.921 ( 0.722 -1.558 3.238) 3.665 16.955 ( 0.241 -1.896 -1.503) 2.432 17.000 ( 0.636 -2.958 1.769) 3.504 17.051 ( -1.161 -2.358 -2.663) 3.741 20.719 ( -3.916 -0.620 1.369) 4.195 20.748 ( 1.786 0.151 -1.727) 2.489 20.896 ( 1.276 -1.813 0.346) 2.244 20.912 ( -1.928 -0.672 -1.415) 2.484 21.835 ( -2.721 1.954 4.268) 5.426 21.902 ( 1.303 0.735 -1.983) 2.484 22.107 ( -1.560 2.939 8.321) 8.961 22.273 ( 1.747 0.130 -8.364) 8.545 22.563 ( 0.702 10.473 4.659) 11.484 22.674 ( -0.857 12.811 -6.910) 14.581 22.770 ( -0.543 2.599 1.910) 3.271 22.818 ( 0.222 4.783 -3.359) 5.849 23.087 ( 0.234 -1.712 2.009) 2.650 23.100 ( -0.492 -2.059 0.474) 2.170 23.865 ( 1.957 -0.073 4.048) 4.497 23.934 ( 0.037 -3.621 -2.496) 4.398 23.972 ( 2.318 -1.833 7.088) 7.679 24.053 ( 0.451 -1.389 -0.250) 1.481 24.172 ( -1.583 -7.295 -2.061) 7.744 24.259 ( -2.511 -8.362 -10.630) 13.756 24.973 ( 3.348 -1.733 4.538) 5.900 25.040 ( -1.101 -5.625 -2.222) 6.147 25.936 ( 1.425 1.863 9.553) 9.837 26.099 ( 1.343 2.922 -8.118) 8.732 26.713 ( -1.968 0.216 0.106) 1.983 26.715 ( 0.768 0.320 -0.058) 0.834 26.738 ( 0.422 -0.344 0.323) 0.633 26.745 ( -0.305 -0.282 -0.399) 0.576 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 9.987 8.198 17.825) 22.016 1.818 ( 7.634 4.653 -14.328) 16.889 2.001 ( 17.257 8.945 18.348) 26.729 2.118 ( 16.646 8.179 -24.112) 30.420 2.613 ( 7.243 4.473 0.048) 8.513 2.732 ( 10.172 1.463 -0.066) 10.277 2.912 ( 2.497 0.489 0.802) 2.668 3.000 ( 6.137 0.327 1.910) 6.436 3.135 ( -3.279 -0.818 -2.560) 4.240 3.143 ( -0.242 -2.791 1.349) 3.109 3.235 ( -2.342 -3.931 -1.417) 4.790 3.264 ( 5.759 -15.798 3.236) 17.123 3.351 ( 1.627 -2.593 1.299) 3.325 3.448 ( -0.747 -0.023 -3.406) 3.487 3.567 ( -2.779 -0.568 5.908) 6.554 3.634 ( 1.511 1.063 10.718) 10.876 3.691 ( -2.385 2.923 -1.578) 4.089 3.734 ( -1.214 0.196 -0.773) 1.453 3.814 ( 2.026 6.165 1.838) 6.745 3.872 ( 5.463 -3.645 -1.220) 6.680 3.978 ( 7.309 2.577 1.214) 7.845 4.050 ( -2.117 2.658 1.128) 3.580 4.119 ( 1.387 -0.781 -8.320) 8.471 4.203 ( -2.396 -2.474 -2.653) 4.347 4.237 ( 0.556 5.247 -1.497) 5.484 4.298 ( 4.853 3.083 -6.702) 8.831 4.414 ( -0.497 8.105 2.594) 8.524 4.500 ( -5.052 1.768 -1.140) 5.472 4.550 ( -1.170 7.254 0.026) 7.347 4.685 ( -1.367 3.917 3.981) 5.750 4.716 ( 2.907 5.421 -0.249) 6.157 4.760 ( -5.046 -2.563 4.664) 7.334 4.816 ( -0.372 8.343 1.084) 8.421 4.989 ( -4.009 -2.229 -5.725) 7.337 5.016 ( 3.171 0.224 3.749) 4.916 5.115 ( -2.701 -0.042 3.040) 4.066 5.207 ( 7.128 0.147 3.792) 8.075 5.249 ( 5.913 1.300 -3.157) 6.828 5.366 ( 5.976 3.467 2.140) 7.233 5.392 ( 1.010 0.961 2.617) 2.966 5.504 ( 7.488 -0.963 0.276) 7.555 5.525 ( 1.294 -1.314 -3.178) 3.674 5.581 ( 7.671 -0.409 -1.689) 7.865 5.638 ( 5.437 -6.356 -2.552) 8.745 5.698 ( 4.265 -1.782 3.325) 5.694 5.768 ( 8.166 -2.931 -6.465) 10.820 5.982 ( 0.892 -6.169 1.071) 6.324 6.035 ( -3.254 -1.297 -3.401) 4.882 6.107 ( -6.756 -1.317 -0.909) 6.943 6.227 ( -3.734 2.122 -4.387) 6.139 6.412 ( -2.650 -0.120 4.312) 5.063 6.501 ( -7.370 -4.605 -5.723) 10.406 6.647 ( 1.973 -6.117 -5.395) 8.391 6.686 ( -7.702 -4.882 6.620) 11.268 6.715 ( -2.582 -2.905 2.895) 4.847 6.788 ( -1.633 -9.859 -2.244) 10.242 6.905 ( -1.351 -0.539 0.431) 1.517 6.944 ( -7.514 -2.449 2.010) 8.155 7.039 ( -10.919 -5.027 -4.170) 12.723 7.147 ( -3.761 6.128 6.063) 9.405 7.307 ( -1.317 -2.646 3.976) 4.954 7.402 ( -2.659 7.135 -0.412) 7.625 7.474 ( -5.607 -1.589 3.162) 6.630 7.558 ( -6.110 -1.497 -2.914) 6.933 7.619 ( -1.044 8.442 -0.652) 8.531 7.697 ( 2.736 2.342 -2.302) 4.274 7.801 ( -2.208 1.824 1.840) 3.404 7.861 ( -1.470 3.255 -2.886) 4.592 7.982 ( -9.116 5.062 7.603) 12.905 8.047 ( -3.845 0.753 1.567) 4.220 8.129 ( -2.626 3.598 -0.243) 4.461 8.200 ( -1.807 -2.115 0.960) 2.943 8.234 ( -4.828 0.206 -1.748) 5.139 8.422 ( -0.267 5.571 2.399) 6.072 8.553 ( -6.929 0.625 3.667) 7.864 8.606 ( 2.945 0.693 1.340) 3.309 8.693 ( 2.149 -2.006 0.718) 3.026 8.701 ( -0.376 1.179 4.358) 4.530 8.768 ( 5.916 -0.292 0.607) 5.955 8.857 ( 0.476 2.954 -0.751) 3.085 8.898 ( 3.108 -0.615 0.869) 3.285 9.042 ( -5.351 3.087 -2.112) 6.528 9.230 ( -0.944 -4.232 -2.822) 5.174 9.377 ( 4.520 -3.977 -5.577) 8.207 9.464 ( -2.857 -4.561 -0.358) 5.394 9.519 ( -2.406 -3.770 -3.335) 5.579 9.598 ( -1.767 -0.870 -1.605) 2.540 9.706 ( -4.621 3.123 2.561) 6.137 9.871 ( 0.065 2.447 0.690) 2.543 9.913 ( -1.209 1.743 -4.496) 4.971 9.961 ( 4.050 3.566 5.508) 7.711 10.010 ( 3.649 0.161 -1.533) 3.961 10.144 ( -0.955 -5.709 -1.170) 5.905 10.214 ( 4.094 3.971 3.294) 6.587 10.297 ( -2.169 -1.430 0.029) 2.598 10.404 ( -6.664 -0.537 1.678) 6.893 10.479 ( -7.022 1.761 -1.288) 7.353 10.523 ( 0.580 4.602 1.593) 4.904 10.570 ( 1.388 1.687 -1.752) 2.801 10.617 ( 4.248 -0.629 8.782) 9.776 10.716 ( -2.412 2.407 -2.814) 4.419 10.807 ( 1.589 0.748 0.507) 1.828 10.858 ( 0.417 3.951 -0.168) 3.977 10.959 ( 3.933 2.129 -3.850) 5.901 11.048 ( -3.781 -5.496 6.404) 9.247 11.128 ( -1.985 -7.289 4.379) 8.732 11.260 ( -0.275 3.118 -0.472) 3.166 11.269 ( 2.442 0.663 5.009) 5.612 11.321 ( 2.270 -11.101 0.416) 11.339 11.436 ( -1.901 -0.753 2.381) 3.139 11.519 ( 0.067 -2.506 -3.485) 4.293 11.626 ( 3.096 -3.584 -7.954) 9.257 11.802 ( 4.579 -0.410 -0.697) 4.650 11.868 ( 3.726 -0.349 -3.716) 5.274 11.956 ( 5.697 -3.103 1.734) 6.715 12.041 ( -4.750 6.519 -3.338) 8.729 12.141 ( 9.976 2.615 -0.817) 10.346 12.336 ( 7.198 1.601 -1.622) 7.550 12.354 ( 8.336 -2.336 -2.157) 8.922 12.428 ( 7.553 0.534 -0.741) 7.608 12.537 ( 13.205 0.099 4.062) 13.816 12.565 ( 9.150 -4.642 -2.823) 10.642 12.672 ( 0.885 3.115 -1.996) 3.804 12.818 ( -1.223 -4.400 1.708) 4.876 12.870 ( -1.239 -3.190 -0.703) 3.494 12.908 ( 2.842 1.889 4.067) 5.309 13.122 ( 2.767 -8.021 -9.113) 12.452 13.134 ( 7.961 -8.560 3.004) 12.070 13.490 ( 6.449 2.738 2.737) 7.522 13.588 ( 8.483 1.939 -6.866) 11.084 13.837 ( -6.896 -7.280 -0.864) 10.065 14.011 ( -3.541 3.038 -5.178) 6.970 14.030 ( 2.507 10.729 7.351) 13.245 14.124 ( 2.571 10.538 -4.685) 11.816 14.210 ( -2.521 3.256 3.300) 5.278 14.395 ( 0.775 3.553 -0.396) 3.658 14.595 ( 12.547 0.945 0.525) 12.593 14.670 ( 9.399 -5.223 -3.008) 11.165 14.928 ( 0.186 -4.981 -1.463) 5.195 14.935 ( -0.923 -6.186 2.150) 6.614 15.217 ( -2.836 6.236 -1.314) 6.975 15.317 ( 2.629 5.893 4.029) 7.607 15.555 ( -8.721 -1.334 2.849) 9.271 15.691 ( -5.119 0.626 -4.328) 6.733 16.074 ( -5.549 4.503 0.908) 7.204 16.257 ( 3.237 4.129 -0.836) 5.312 16.654 ( -6.936 -3.064 3.170) 8.218 16.680 ( -6.659 -1.961 -0.943) 7.006 16.868 ( -7.176 -0.265 0.126) 7.182 16.877 ( -6.637 -1.144 -0.784) 6.780 16.966 ( -4.632 -3.073 -2.909) 6.274 16.991 ( -2.818 -4.931 2.871) 6.364 20.724 ( 3.026 1.583 1.625) 3.782 20.827 ( 5.399 -2.444 0.973) 6.006 20.880 ( 0.811 -1.675 -0.238) 1.876 20.977 ( 4.845 -2.073 1.103) 5.384 21.828 ( -1.010 1.931 4.492) 4.992 21.933 ( 2.808 0.154 -0.443) 2.847 22.145 ( 0.225 3.137 8.063) 8.654 22.257 ( 1.494 2.283 -8.551) 8.976 22.563 ( -2.091 9.224 0.626) 9.479 22.653 ( 1.354 12.164 -1.159) 12.294 22.769 ( -0.460 5.190 2.449) 5.757 22.815 ( 0.514 1.918 -2.029) 2.839 23.081 ( 1.342 -1.650 0.617) 2.214 23.191 ( 6.412 -3.197 0.605) 7.191 23.872 ( -2.261 -2.157 -3.054) 4.369 23.909 ( -1.056 -3.995 -0.534) 4.166 23.986 ( -5.058 -2.489 -2.411) 6.131 24.012 ( -2.419 -0.348 -3.058) 3.915 24.155 ( -1.796 -6.133 3.667) 7.368 24.190 ( 1.156 -7.183 1.275) 7.387 24.920 ( -7.000 -2.166 -4.837) 8.779 24.959 ( -5.544 -2.246 3.212) 6.789 25.811 ( -14.470 4.419 -1.616) 15.216 25.900 ( -15.259 3.359 0.523) 15.633 26.753 ( 2.803 0.140 0.213) 2.814 26.773 ( 4.559 -0.393 -0.644) 4.621 26.814 ( 7.281 -1.445 -0.022) 7.423 26.831 ( 7.073 -1.145 -0.023) 7.165 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 22.480 9.189 -10.175) 26.331 2.037 ( 19.222 8.724 7.623) 22.443 2.332 ( 19.731 5.774 -17.942) 27.287 2.522 ( 19.382 4.711 19.517) 27.907 2.791 ( 6.216 -5.564 2.084) 8.599 2.819 ( 3.140 -6.147 -3.731) 7.846 3.001 ( 1.905 -1.110 1.958) 2.949 3.043 ( 3.301 -0.668 -2.148) 3.995 3.072 ( -0.747 1.166 -1.812) 2.281 3.184 ( -2.199 0.512 1.609) 2.772 3.212 ( 0.324 -1.060 1.885) 2.186 3.331 ( -5.013 -0.593 0.086) 5.049 3.398 ( 3.472 -12.296 2.738) 13.067 3.454 ( -2.005 -9.070 2.295) 9.568 3.495 ( 1.461 -6.417 -0.383) 6.592 3.615 ( -4.684 -4.768 3.063) 7.352 3.675 ( 0.183 1.711 3.301) 3.723 3.740 ( -12.724 -4.999 3.191) 14.038 3.788 ( -1.117 -2.894 -6.170) 6.906 3.901 ( -4.888 7.280 6.573) 10.959 4.030 ( 4.360 4.270 0.018) 6.103 4.048 ( 4.446 1.264 -2.643) 5.325 4.144 ( 8.897 7.974 -11.987) 16.924 4.212 ( 7.729 1.308 -2.636) 8.270 4.320 ( -0.288 -1.514 -2.502) 2.938 4.370 ( -0.910 5.490 -1.946) 5.895 4.447 ( 5.393 7.657 3.249) 9.913 4.511 ( 8.484 9.049 -2.677) 12.690 4.588 ( 3.542 7.199 3.364) 8.700 4.687 ( 2.669 2.604 1.077) 3.881 4.750 ( -4.685 -0.494 0.731) 4.767 4.795 ( 4.296 9.225 -2.452) 10.468 4.896 ( 6.730 2.837 4.659) 8.663 4.917 ( 5.252 6.307 4.927) 9.573 5.094 ( 3.751 -0.171 4.418) 5.798 5.129 ( 2.390 5.542 4.002) 7.242 5.291 ( 3.835 -1.638 1.934) 4.597 5.369 ( -8.322 -5.991 -0.314) 10.259 5.409 ( -2.055 -0.491 2.543) 3.306 5.485 ( 3.978 -0.483 2.371) 4.656 5.494 ( 3.991 -2.600 -3.898) 6.155 5.635 ( 4.016 -0.081 -0.539) 4.053 5.659 ( -2.924 2.094 5.921) 6.928 5.747 ( 6.403 -2.057 -6.096) 9.077 5.791 ( 6.752 -2.351 -7.710) 10.515 5.837 ( 4.198 -1.004 -4.932) 6.554 5.938 ( -2.054 -2.901 2.337) 4.254 6.012 ( 3.089 0.069 2.765) 4.146 6.074 ( 1.949 -3.533 -5.688) 6.974 6.174 ( 5.078 0.595 -1.861) 5.441 6.196 ( -13.573 1.160 -2.605) 13.869 6.449 ( -10.393 -0.568 3.188) 10.886 6.484 ( -3.562 -4.301 -3.628) 6.660 6.603 ( -6.299 6.254 -0.087) 8.877 6.698 ( -0.717 -1.548 0.728) 1.855 6.713 ( -0.649 -1.286 -0.205) 1.455 6.792 ( -6.606 0.183 0.656) 6.641 6.915 ( -2.265 -2.281 2.302) 3.954 6.990 ( 4.565 -7.001 0.267) 8.362 7.152 ( -0.129 -0.169 5.173) 5.177 7.243 ( -8.354 -4.450 2.982) 9.924 7.311 ( -3.260 4.521 -2.263) 6.016 7.361 ( -7.622 2.851 -1.875) 8.351 7.424 ( -8.161 -0.682 0.015) 8.190 7.528 ( -6.050 5.366 0.960) 8.144 7.568 ( -9.438 2.501 -0.427) 9.773 7.732 ( -9.457 4.398 -3.376) 10.963 7.821 ( -2.457 2.373 0.244) 3.425 7.892 ( 3.662 -0.938 0.410) 3.803 7.973 ( -8.927 -5.899 1.507) 10.806 8.020 ( -2.362 5.115 -2.400) 6.123 8.141 ( -0.911 -1.238 0.037) 1.538 8.262 ( 1.300 -4.475 0.829) 4.733 8.413 ( -1.476 4.632 2.057) 5.279 8.526 ( 2.104 1.035 7.762) 8.109 8.649 ( -0.496 1.021 4.484) 4.625 8.716 ( -3.313 -3.951 6.199) 8.063 8.751 ( 2.166 -3.901 1.367) 4.666 8.807 ( 2.428 -0.225 -0.461) 2.482 8.861 ( -1.863 4.343 -1.479) 4.952 8.961 ( 0.223 2.349 0.557) 2.424 8.999 ( 2.918 1.561 0.765) 3.397 9.190 ( -1.752 -3.309 3.048) 4.828 9.387 ( -3.663 -1.025 -1.030) 3.941 9.403 ( 0.739 -6.153 -3.342) 7.041 9.450 ( -2.533 -5.087 -5.115) 7.646 9.551 ( -0.778 -0.419 -2.878) 3.010 9.685 ( 2.613 -2.504 -8.340) 9.091 9.852 ( -2.756 2.730 -0.921) 3.987 9.867 ( 0.957 5.146 0.751) 5.288 9.963 ( -3.349 -0.117 -2.199) 4.008 10.053 ( 1.261 5.128 5.195) 7.408 10.099 ( -10.601 -3.991 2.428) 11.585 10.221 ( 3.985 -2.863 -1.681) 5.187 10.258 ( -3.184 2.661 -2.358) 4.773 10.374 ( -0.080 3.015 3.572) 4.676 10.477 ( 4.711 2.276 4.650) 7.000 10.546 ( -1.377 3.214 0.553) 3.540 10.605 ( -0.699 2.106 -2.675) 3.476 10.665 ( -5.087 -0.957 0.615) 5.213 10.702 ( 7.607 4.844 -2.644) 9.398 10.758 ( -0.794 4.870 6.504) 8.164 10.937 ( 2.802 -1.793 -3.103) 4.549 11.011 ( 3.888 3.653 -2.075) 5.724 11.105 ( -0.187 -6.581 6.922) 9.552 11.127 ( 4.302 -2.941 6.730) 8.512 11.226 ( -2.521 -4.634 1.666) 5.532 11.332 ( 1.324 -2.017 1.035) 2.625 11.340 ( -1.889 -0.252 -0.991) 2.148 11.443 ( 0.295 -1.838 0.374) 1.899 11.490 ( -0.693 -1.003 1.238) 1.738 11.645 ( 2.572 -3.808 -7.967) 9.197 11.782 ( 1.250 -2.338 -6.124) 6.673 11.986 ( 3.532 -2.085 -3.684) 5.513 12.004 ( 5.959 3.026 0.559) 6.707 12.114 ( 2.742 2.522 8.090) 8.907 12.206 ( 2.213 0.421 -1.694) 2.818 12.424 ( -1.548 -0.361 2.544) 2.999 12.479 ( 5.424 -1.790 -0.020) 5.711 12.575 ( 4.311 -4.608 -2.093) 6.648 12.653 ( 8.084 -0.341 -5.971) 10.056 12.797 ( 5.741 0.114 0.747) 5.790 12.850 ( 0.175 0.687 6.145) 6.186 12.862 ( 9.072 -3.998 0.289) 9.918 12.924 ( 13.781 -1.232 2.042) 13.986 13.020 ( 5.644 -2.975 -2.495) 6.851 13.088 ( 1.993 -1.314 -6.038) 6.493 13.294 ( 6.955 -5.409 -2.822) 9.252 13.569 ( 2.563 0.123 -3.500) 4.340 13.686 ( 3.132 7.343 -9.762) 12.611 13.826 ( 7.685 -6.721 -0.395) 10.217 13.914 ( -1.043 7.313 2.213) 7.711 14.159 ( 5.275 7.343 7.333) 11.641 14.178 ( 7.832 1.071 -3.153) 8.510 14.254 ( 1.116 -0.915 5.099) 5.299 14.414 ( 0.306 2.819 -0.873) 2.967 14.751 ( 1.896 -6.633 -2.340) 7.284 14.834 ( 2.429 -2.437 -2.353) 4.169 14.886 ( 1.335 -2.805 1.808) 3.594 14.984 ( 5.222 -0.506 2.722) 5.911 15.206 ( 1.047 4.565 3.791) 6.026 15.345 ( -6.909 1.576 1.199) 7.187 15.398 ( -3.024 2.461 -2.243) 4.498 15.479 ( -12.439 4.888 -2.358) 13.571 15.969 ( -4.437 3.830 1.212) 5.986 16.306 ( 0.203 0.992 0.692) 1.226 16.446 ( -8.227 -3.883 -6.574) 11.224 16.571 ( -8.184 -1.693 5.542) 10.028 16.689 ( -8.965 0.604 -1.361) 9.088 16.714 ( -8.888 -0.034 -0.260) 8.892 16.873 ( -2.430 -3.808 -2.553) 5.189 16.935 ( -4.132 -4.321 2.063) 6.325 20.821 ( 5.281 0.838 0.269) 5.354 20.887 ( 1.854 -0.175 0.191) 1.872 20.981 ( 6.327 -6.699 2.390) 9.519 21.087 ( 4.342 -3.589 2.746) 6.267 21.851 ( 0.207 2.178 4.896) 5.363 22.008 ( 3.972 -1.251 2.924) 5.088 22.204 ( -1.106 3.510 -7.134) 8.027 22.218 ( 1.597 4.019 6.642) 7.926 22.540 ( -0.489 5.154 -0.059) 5.178 22.658 ( 0.234 9.463 -1.999) 9.675 22.793 ( -0.537 9.584 4.072) 10.427 22.808 ( 0.627 3.769 0.516) 3.856 23.155 ( 5.534 -4.379 -0.965) 7.123 23.330 ( 7.582 -1.937 -1.447) 7.958 23.722 ( -11.529 -9.727 -8.357) 17.245 23.845 ( 0.589 -2.361 -0.680) 2.527 23.896 ( -3.355 -1.797 -0.005) 3.806 23.943 ( -1.334 -3.563 -4.866) 6.177 24.092 ( -6.322 2.585 -1.226) 6.939 24.257 ( 1.324 -5.125 5.934) 7.952 24.775 ( -5.132 -0.407 -1.401) 5.335 24.900 ( 0.809 0.561 0.703) 1.209 25.445 ( -16.527 5.991 -10.092) 20.270 25.594 ( -18.200 1.897 7.074) 19.618 26.822 ( 3.588 0.270 0.325) 3.612 26.858 ( 4.282 -0.476 -0.839) 4.389 26.947 ( 4.904 -1.943 1.678) 5.535 26.955 ( 5.574 -1.718 -1.117) 5.939 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 25.978 7.955 -3.675) 27.416 2.493 ( 19.116 4.667 5.574) 20.452 2.617 ( 15.986 0.870 -8.877) 18.306 2.739 ( -5.969 -1.364 1.447) 6.291 2.829 ( -6.573 -0.898 3.572) 7.535 2.943 ( -6.616 0.774 -1.554) 6.840 2.951 ( 4.994 -4.787 5.448) 8.805 3.035 ( -7.772 -1.091 3.279) 8.506 3.086 ( -2.203 -3.206 0.781) 3.968 3.176 ( 7.175 -4.300 5.841) 10.202 3.253 ( -6.725 -1.057 -3.642) 7.720 3.266 ( 5.444 -3.957 0.723) 6.769 3.317 ( -1.936 3.138 1.132) 3.857 3.407 ( -2.672 0.979 2.709) 3.929 3.476 ( -1.024 -9.259 7.253) 11.806 3.549 ( -3.725 0.563 1.598) 4.092 3.641 ( 2.501 -13.558 2.166) 13.956 3.687 ( 2.332 -7.735 -7.394) 10.952 3.827 ( 1.943 -4.806 -2.416) 5.719 3.952 ( -2.446 -0.424 4.902) 5.495 4.002 ( 2.795 4.038 5.896) 7.673 4.042 ( -6.418 2.885 0.955) 7.101 4.171 ( 2.508 4.906 -9.172) 10.699 4.286 ( 0.324 2.377 2.262) 3.297 4.316 ( 4.159 0.412 -4.875) 6.422 4.412 ( -4.757 3.628 -2.779) 6.596 4.519 ( 3.195 9.099 1.347) 9.738 4.596 ( 1.743 8.465 0.990) 8.699 4.663 ( 4.181 4.969 -0.716) 6.534 4.711 ( -0.466 11.839 -0.475) 11.857 4.770 ( 7.727 1.310 -7.390) 10.772 4.901 ( -4.899 -2.580 0.813) 5.596 4.977 ( 6.188 2.686 -7.340) 9.969 5.079 ( 7.566 9.092 -1.050) 11.875 5.125 ( 3.620 6.297 7.430) 10.391 5.219 ( -11.479 5.923 -2.310) 13.122 5.285 ( -6.768 0.561 5.949) 9.028 5.331 ( 3.974 -0.988 6.501) 7.684 5.395 ( 1.148 1.147 -1.329) 2.097 5.454 ( -0.576 2.150 3.525) 4.169 5.474 ( 1.236 -2.321 1.420) 2.988 5.657 ( 0.778 -1.923 6.805) 7.114 5.679 ( 0.416 4.418 -7.750) 8.930 5.764 ( 3.698 -3.673 -7.313) 8.980 5.877 ( 2.101 -6.410 1.935) 7.018 5.922 ( -1.585 -1.717 2.040) 3.102 5.950 ( 2.862 1.333 -6.075) 6.846 6.031 ( -1.186 -3.213 -0.884) 3.537 6.069 ( 7.253 -4.564 -7.999) 11.723 6.133 ( -0.741 -2.288 4.684) 5.265 6.255 ( -0.300 5.055 3.138) 5.957 6.338 ( 4.796 0.968 5.524) 7.379 6.493 ( 3.729 1.468 1.214) 4.187 6.556 ( 6.003 2.595 -4.554) 7.969 6.591 ( -7.961 1.748 0.839) 8.193 6.720 ( 1.640 4.610 4.047) 6.349 6.775 ( -2.392 -0.414 2.996) 3.856 6.840 ( -3.696 -3.276 -6.077) 7.831 6.968 ( -9.451 1.011 -4.078) 10.343 6.975 ( -12.871 -0.948 -0.243) 12.908 7.187 ( -3.840 4.432 -3.287) 6.722 7.218 ( -1.496 4.296 -4.115) 6.134 7.277 ( 5.170 -6.076 0.745) 8.012 7.352 ( 0.468 -0.811 1.996) 2.205 7.408 ( -7.394 0.196 1.206) 7.494 7.513 ( -8.167 2.352 -2.717) 8.923 7.536 ( 7.057 0.584 2.770) 7.603 7.754 ( -8.293 -5.511 1.700) 10.101 7.835 ( -3.449 -0.727 6.190) 7.123 7.957 ( -0.308 1.113 -1.831) 2.164 8.001 ( 3.582 -1.065 -3.192) 4.915 8.114 ( -1.964 0.998 -2.684) 3.472 8.314 ( 3.093 -3.466 2.292) 5.180 8.398 ( -2.427 -0.119 1.945) 3.113 8.588 ( -0.050 -6.107 3.112) 6.855 8.633 ( -3.831 -1.563 3.061) 5.147 8.729 ( 0.619 0.957 5.568) 5.683 8.771 ( 0.410 2.145 6.160) 6.535 8.870 ( 6.495 -0.564 -4.602) 7.980 8.893 ( 1.069 -0.594 5.686) 5.816 8.940 ( -2.264 -0.634 1.161) 2.622 9.038 ( 1.305 1.901 -1.719) 2.876 9.197 ( -0.090 -0.154 2.851) 2.857 9.303 ( -3.340 -0.972 0.037) 3.479 9.379 ( -1.565 -2.403 -2.303) 3.678 9.410 ( 0.173 -4.254 -2.719) 5.051 9.528 ( -2.014 -1.666 1.650) 3.091 9.655 ( -0.342 -4.803 -6.961) 8.464 9.792 ( -0.981 1.355 -2.433) 2.952 9.866 ( -1.680 -1.603 -4.668) 5.214 9.941 ( -2.097 3.443 3.713) 5.481 9.977 ( 2.421 5.394 1.660) 6.141 10.113 ( 1.708 3.296 3.287) 4.958 10.178 ( -1.000 -1.078 -2.667) 3.046 10.294 ( 2.240 3.852 -0.951) 4.556 10.400 ( -5.001 2.341 -6.063) 8.201 10.429 ( 1.657 3.009 3.721) 5.065 10.534 ( -2.487 2.822 2.949) 4.780 10.578 ( -2.132 1.398 -1.887) 3.172 10.607 ( 0.299 -1.440 -1.113) 1.844 10.772 ( 0.494 1.795 -0.302) 1.886 10.842 ( 3.323 5.322 -3.150) 7.021 10.946 ( -1.613 -3.614 9.241) 10.052 11.074 ( 0.355 -3.170 1.279) 3.437 11.132 ( -0.208 1.402 2.473) 2.850 11.212 ( 6.501 -3.567 0.611) 7.441 11.269 ( 1.030 0.492 -2.161) 2.444 11.303 ( -0.813 -3.949 5.909) 7.153 11.378 ( -1.113 0.921 0.453) 1.514 11.432 ( 3.151 -2.425 2.183) 4.536 11.485 ( -1.896 1.205 -0.650) 2.338 11.640 ( 2.800 -0.662 -6.814) 7.397 11.811 ( 4.897 -4.225 -3.766) 7.484 11.942 ( -6.016 -1.772 -1.412) 6.429 12.107 ( 3.874 -2.114 0.138) 4.416 12.184 ( 2.332 0.989 -3.116) 4.015 12.279 ( 2.250 -0.906 3.619) 4.357 12.405 ( -1.790 -6.356 4.590) 8.042 12.534 ( 0.303 -5.324 -0.614) 5.368 12.569 ( -2.965 -6.428 0.328) 7.086 12.730 ( 4.264 3.778 -2.107) 6.074 12.849 ( -2.307 0.225 2.527) 3.429 12.852 ( 3.655 -6.083 -2.920) 7.674 12.942 ( -2.968 -0.641 -2.553) 3.967 13.103 ( 5.224 -1.394 4.966) 7.341 13.184 ( 9.510 2.138 -3.593) 10.389 13.189 ( 4.828 5.395 -0.861) 7.291 13.344 ( 1.697 0.556 -7.730) 7.934 13.606 ( 0.861 7.086 -1.731) 7.345 13.645 ( 1.722 7.544 -6.563) 10.147 13.954 ( 6.429 -3.388 1.767) 7.479 14.081 ( 10.496 4.163 1.472) 11.388 14.210 ( -7.449 -9.400 0.705) 12.014 14.339 ( 5.026 -0.883 -0.516) 5.129 14.382 ( 9.858 -1.317 7.534) 12.477 14.418 ( 6.772 4.113 -0.945) 7.979 14.615 ( -14.937 2.523 2.457) 15.347 14.736 ( -2.834 -10.167 1.931) 10.730 15.041 ( 6.585 0.824 -2.193) 6.989 15.062 ( -10.778 1.775 -7.434) 13.213 15.124 ( 1.334 5.171 4.296) 6.854 15.269 ( -0.290 5.824 -2.121) 6.205 15.303 ( -3.116 1.308 4.150) 5.352 15.360 ( 0.224 0.950 -3.558) 3.689 15.955 ( -0.110 1.461 7.868) 8.003 16.214 ( -4.620 0.671 -4.998) 6.839 16.372 ( 1.169 -5.867 -1.483) 6.164 16.453 ( -5.513 -2.868 2.109) 6.563 16.549 ( -3.305 1.248 -1.593) 3.876 16.555 ( -6.233 0.780 -0.863) 6.340 16.847 ( -0.988 -3.548 1.385) 3.935 16.877 ( -1.008 -2.712 -0.909) 3.033 20.905 ( 3.019 -0.218 -0.602) 3.086 20.921 ( 1.048 0.335 0.006) 1.100 21.101 ( 2.619 -6.754 3.954) 8.253 21.158 ( 2.607 -5.913 -0.380) 6.473 21.899 ( 1.168 2.591 5.818) 6.475 22.077 ( -1.168 2.462 -0.981) 2.896 22.150 ( 0.203 -2.514 3.488) 4.304 22.292 ( 2.526 0.219 0.479) 2.581 22.541 ( 0.482 5.881 1.382) 6.060 22.636 ( -0.895 6.570 -3.434) 7.467 22.813 ( 1.492 11.098 4.129) 11.935 22.857 ( 1.604 12.065 5.209) 13.239 23.215 ( 2.008 -6.938 -7.096) 10.125 23.381 ( -7.587 -6.823 -8.880) 13.527 23.542 ( 6.818 -0.571 0.096) 6.843 23.803 ( -7.838 -1.568 1.229) 8.087 23.865 ( -1.225 -0.585 0.049) 1.359 23.906 ( -2.915 -0.605 -7.039) 7.642 24.000 ( 5.511 -7.587 3.848) 10.135 24.265 ( -2.641 -6.647 -2.165) 7.473 24.736 ( 0.899 6.825 4.066) 7.995 24.940 ( -3.293 7.154 -1.796) 8.078 25.177 ( 1.855 -0.840 -6.849) 7.146 25.294 ( -15.849 -0.041 5.615) 16.814 26.881 ( 1.709 0.196 0.718) 1.864 26.912 ( 1.527 -0.411 -1.251) 2.017 27.012 ( 0.410 -1.455 2.436) 2.867 27.034 ( 3.369 -1.731 -1.914) 4.243 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -28.061 7.416 6.364) 29.714 2.432 ( -29.042 2.842 6.966) 30.001 2.637 ( -12.113 0.132 -7.441) 14.216 2.747 ( 0.694 -1.470 0.892) 1.854 2.878 ( 2.779 0.781 0.535) 2.936 2.896 ( 10.856 0.735 3.243) 11.354 2.996 ( 7.321 1.061 2.011) 7.666 3.045 ( -6.994 -7.482 -1.041) 10.295 3.137 ( 4.607 -1.877 -1.925) 5.334 3.193 ( 7.890 -4.056 2.622) 9.251 3.238 ( -2.302 0.534 -1.023) 2.575 3.333 ( 8.276 -3.072 -0.761) 8.860 3.344 ( -4.532 -2.998 -4.475) 7.039 3.448 ( 4.704 -3.725 -0.026) 6.000 3.477 ( -1.133 -8.431 2.233) 8.795 3.603 ( -2.883 5.502 1.209) 6.328 3.638 ( 2.988 -5.239 -6.379) 8.779 3.747 ( 2.348 -0.998 -2.317) 3.446 3.813 ( -2.860 -7.518 -7.021) 10.677 3.863 ( 11.217 -3.227 5.182) 12.770 3.959 ( -8.033 2.180 10.613) 13.488 4.128 ( -6.543 3.448 -6.257) 9.687 4.161 ( -0.926 -0.405 7.598) 7.665 4.264 ( -3.217 -2.229 -5.824) 7.017 4.292 ( -2.005 0.784 2.321) 3.166 4.360 ( 2.598 0.547 -1.600) 3.101 4.514 ( -6.385 5.472 6.825) 10.831 4.543 ( -13.051 14.930 4.535) 20.342 4.605 ( 0.354 9.400 -1.088) 9.469 4.689 ( -1.970 11.867 -3.254) 12.462 4.724 ( -4.355 4.664 1.469) 6.548 4.844 ( -7.801 -0.737 6.255) 10.026 4.948 ( 5.061 4.152 -4.088) 7.718 5.086 ( 1.520 5.009 5.125) 7.326 5.142 ( 3.188 7.114 -1.711) 7.981 5.296 ( 6.460 4.174 -7.312) 10.612 5.327 ( 2.304 -2.308 4.019) 5.176 5.391 ( -0.178 -1.940 -2.481) 3.155 5.447 ( 1.282 7.904 7.026) 10.653 5.498 ( 2.772 -5.035 -1.222) 5.875 5.529 ( 1.573 -0.969 -1.549) 2.410 5.578 ( -5.585 4.570 -14.329) 16.044 5.665 ( -1.832 -2.217 4.339) 5.206 5.762 ( -6.755 -1.572 4.087) 8.050 5.806 ( 0.618 -3.177 -3.798) 4.990 5.886 ( -5.800 -2.541 1.730) 6.564 5.958 ( -1.583 -4.949 4.014) 6.566 5.993 ( -4.732 1.596 -1.843) 5.323 6.055 ( 8.371 -4.637 -2.687) 9.940 6.234 ( 9.673 -4.542 -7.092) 12.825 6.381 ( -2.063 4.093 5.150) 6.894 6.392 ( -4.159 4.879 -7.452) 9.830 6.460 ( -3.773 -1.757 -2.898) 5.072 6.546 ( 1.471 1.063 -0.228) 1.829 6.661 ( -5.882 0.734 -4.256) 7.297 6.724 ( 11.131 1.135 3.906) 11.851 6.785 ( 0.321 2.781 0.586) 2.860 6.825 ( 7.070 2.004 6.289) 9.672 6.862 ( 4.241 0.984 -6.151) 7.536 6.966 ( 14.199 -0.414 0.380) 14.210 7.102 ( -4.106 1.639 3.817) 5.840 7.189 ( 0.601 5.238 0.478) 5.294 7.284 ( -4.897 -1.568 0.401) 5.158 7.395 ( 3.950 -3.050 -0.144) 4.993 7.424 ( 2.946 0.572 0.259) 3.012 7.461 ( 7.256 -1.063 -1.137) 7.421 7.575 ( -6.375 -2.468 -2.021) 7.129 7.759 ( 9.646 -2.684 2.285) 10.270 7.863 ( 1.873 -0.756 6.669) 6.968 7.935 ( -0.139 -1.127 -2.941) 3.153 7.984 ( -5.382 2.836 -1.008) 6.166 8.103 ( 4.277 0.438 -2.555) 5.001 8.333 ( -3.426 -2.293 0.307) 4.134 8.387 ( 1.878 -0.963 3.647) 4.214 8.588 ( -2.028 0.428 3.422) 4.001 8.637 ( 1.547 -6.100 2.169) 6.656 8.744 ( -2.271 -0.525 6.860) 7.246 8.807 ( -4.887 -1.405 -2.175) 5.531 8.854 ( 2.498 1.055 -0.588) 2.775 8.965 ( 4.376 0.698 -2.727) 5.203 8.979 ( 0.522 -0.953 3.995) 4.140 9.054 ( 2.348 2.401 -4.790) 5.850 9.213 ( -2.501 0.384 0.170) 2.536 9.278 ( 3.648 -0.713 3.550) 5.140 9.355 ( -0.310 -2.073 1.360) 2.499 9.374 ( -1.665 -0.561 -2.493) 3.050 9.459 ( -6.096 -6.391 4.263) 9.807 9.586 ( -4.306 -3.769 -1.069) 5.821 9.801 ( 1.249 -0.184 -0.641) 1.416 9.853 ( 3.306 -0.071 -3.595) 4.884 9.934 ( 0.287 5.705 2.736) 6.334 10.072 ( 3.584 4.752 0.287) 5.959 10.147 ( 3.566 0.391 -5.969) 6.964 10.187 ( 2.697 -0.180 -1.888) 3.297 10.248 ( -3.231 0.479 0.639) 3.328 10.375 ( 3.545 4.703 -0.834) 5.948 10.488 ( -0.397 1.218 1.628) 2.072 10.533 ( 2.230 2.810 -2.244) 4.231 10.550 ( 0.380 0.053 3.042) 3.066 10.593 ( 1.137 0.955 -1.004) 1.792 10.719 ( -6.104 4.036 3.400) 8.069 10.840 ( 1.473 2.929 -3.268) 4.629 10.980 ( -3.255 -5.474 6.217) 8.900 11.102 ( 1.546 -0.991 -1.648) 2.468 11.144 ( -10.112 -2.765 3.949) 11.203 11.170 ( 0.128 3.142 5.012) 5.917 11.246 ( 0.645 0.491 -2.095) 2.247 11.369 ( 0.524 0.705 -1.115) 1.420 11.394 ( 1.083 2.916 0.137) 3.114 11.478 ( 6.685 -4.373 -4.430) 9.134 11.525 ( 1.619 -3.515 2.999) 4.896 11.621 ( -0.221 -2.111 -8.913) 9.162 11.785 ( -6.879 -2.310 -1.933) 7.509 11.921 ( 4.478 -5.732 0.512) 7.292 12.091 ( -3.658 -1.039 2.151) 4.369 12.190 ( 0.242 1.074 -4.387) 4.523 12.324 ( 0.155 -4.455 5.988) 7.465 12.387 ( -0.784 -2.040 -5.661) 6.068 12.493 ( -2.661 -4.165 5.146) 7.135 12.570 ( -0.909 -2.717 2.528) 3.821 12.758 ( -4.798 -5.205 -1.122) 7.167 12.804 ( -3.270 1.185 1.266) 3.702 12.896 ( 4.870 -3.001 -1.943) 6.041 12.904 ( 1.693 -5.948 -1.403) 6.341 13.093 ( -7.920 1.790 4.448) 9.258 13.202 ( -2.656 4.724 -1.380) 5.592 13.236 ( -4.169 7.799 -7.319) 11.480 13.304 ( 0.629 -1.760 -3.984) 4.401 13.574 ( -3.972 5.171 0.755) 6.563 13.620 ( -1.605 11.314 -3.373) 11.914 13.984 ( -6.742 -6.400 -1.406) 9.402 14.088 ( -9.315 0.420 1.347) 9.421 14.181 ( -4.497 -0.710 7.442) 8.724 14.267 ( 2.752 -4.623 -1.602) 5.613 14.420 ( -1.602 1.632 1.289) 2.625 14.537 ( -6.817 -2.390 -4.502) 8.512 14.625 ( 4.746 -3.081 -3.302) 6.551 14.798 ( 19.263 2.662 4.775) 20.024 14.957 ( -2.248 2.347 2.557) 4.135 15.033 ( -1.175 -1.765 -8.916) 9.164 15.110 ( -3.483 3.709 4.808) 7.000 15.239 ( -0.374 1.121 3.424) 3.622 15.351 ( 5.478 5.212 -3.965) 8.538 15.407 ( 5.472 2.121 -5.068) 7.754 16.033 ( 0.481 -1.018 9.370) 9.437 16.123 ( -0.018 -0.403 -4.707) 4.724 16.373 ( -2.985 -5.545 -1.073) 6.388 16.435 ( 4.512 -4.854 2.413) 7.052 16.529 ( 4.822 2.322 0.712) 5.399 16.569 ( 5.975 1.490 -1.424) 6.320 16.811 ( -2.448 -1.747 2.716) 4.052 16.910 ( 3.635 -3.680 -2.057) 5.566 20.909 ( -1.900 -0.120 -0.625) 2.003 20.931 ( 0.026 -0.041 -1.173) 1.174 21.087 ( -4.928 -5.166 3.088) 7.779 21.218 ( 3.447 -8.834 -4.023) 10.301 21.960 ( 0.048 2.316 5.980) 6.413 22.013 ( -0.859 4.635 -3.936) 6.141 22.154 ( -6.187 -5.395 7.611) 11.195 22.333 ( 4.050 -4.835 -5.027) 8.065 22.552 ( -2.088 6.627 1.259) 7.061 22.614 ( 2.192 6.828 -2.029) 7.452 22.840 ( -2.593 12.992 2.977) 13.578 22.962 ( 6.423 20.089 -2.547) 21.244 23.175 ( -5.659 -9.376 -3.487) 11.493 23.212 ( 2.481 -7.836 2.601) 8.621 23.560 ( -11.047 1.494 0.565) 11.162 23.785 ( 6.856 0.945 0.790) 6.966 23.841 ( 3.837 -0.203 -0.028) 3.842 23.874 ( 1.164 -1.568 -2.197) 2.939 24.064 ( -6.978 -6.541 0.400) 9.573 24.274 ( 10.836 -12.966 -4.436) 17.471 24.708 ( -7.570 7.395 6.261) 12.296 24.954 ( 8.410 9.592 -3.052) 13.116 25.038 ( -9.635 0.272 7.133) 11.991 25.387 ( 15.891 -1.740 -3.654) 16.398 26.889 ( -1.543 -0.021 1.071) 1.878 26.898 ( -2.025 -0.137 -1.079) 2.298 26.999 ( -3.028 -0.943 1.676) 3.587 27.060 ( 0.642 -2.473 -2.388) 3.497 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -30.774 12.440 9.134) 34.427 1.925 ( -27.713 11.687 14.348) 33.323 2.314 ( -12.997 1.089 -10.882) 16.986 2.719 ( -4.328 -6.595 3.116) 8.481 2.816 ( -7.508 -5.981 -1.196) 9.673 2.853 ( -13.979 1.798 -5.071) 14.979 2.942 ( -7.050 5.398 6.794) 11.181 3.000 ( -7.111 1.340 0.080) 7.236 3.118 ( -4.928 1.550 -4.653) 6.953 3.197 ( -4.072 -7.483 2.539) 8.890 3.245 ( 1.518 -2.730 -1.417) 3.430 3.296 ( 2.971 -0.187 2.724) 4.035 3.426 ( 0.825 -5.362 -2.340) 5.908 3.486 ( -0.177 -4.853 -0.359) 4.870 3.557 ( -1.273 -6.652 -4.723) 8.257 3.609 ( 4.890 -1.646 4.365) 6.758 3.682 ( 4.290 1.906 -0.150) 4.697 3.695 ( -3.426 -0.642 -0.691) 3.554 3.838 ( 8.675 -2.597 -2.567) 9.413 3.869 ( -1.333 0.177 5.710) 5.866 3.931 ( -6.548 8.533 -1.758) 10.899 4.057 ( -4.384 -1.939 0.321) 4.805 4.127 ( -2.148 -2.621 -0.872) 3.499 4.185 ( 2.479 1.565 4.028) 4.982 4.267 ( -3.629 0.973 -4.546) 5.898 4.329 ( -1.251 8.968 4.031) 9.911 4.391 ( -0.352 6.710 -0.624) 6.749 4.558 ( -0.327 4.492 2.803) 5.304 4.607 ( -3.774 -1.341 0.401) 4.025 4.675 ( 6.271 5.550 0.857) 8.418 4.721 ( -2.096 2.560 1.732) 3.735 4.746 ( -1.241 14.549 4.058) 15.155 4.938 ( -4.119 -3.370 -1.728) 5.596 5.128 ( -7.904 6.385 -11.028) 14.995 5.158 ( -4.577 1.173 2.295) 5.252 5.233 ( 0.288 -2.554 1.946) 3.224 5.252 ( -9.795 5.001 -4.681) 11.952 5.343 ( -1.523 1.445 0.399) 2.137 5.425 ( 4.999 -2.756 -1.926) 6.025 5.495 ( 0.302 -0.206 6.471) 6.481 5.521 ( -2.811 -1.647 -2.915) 4.372 5.584 ( -0.533 -2.917 -0.293) 2.980 5.613 ( -2.609 1.370 1.463) 3.290 5.724 ( -2.448 -3.392 -2.071) 4.668 5.790 ( 1.810 -4.019 -4.420) 6.242 5.842 ( -6.603 2.794 -0.331) 7.178 5.894 ( 3.136 -2.669 4.419) 6.040 5.954 ( -2.532 -2.415 0.156) 3.503 6.117 ( -3.063 0.041 -2.865) 4.194 6.234 ( -5.595 -0.212 -8.620) 10.279 6.251 ( 0.155 2.519 -1.729) 3.059 6.395 ( 6.283 2.618 4.248) 8.023 6.512 ( 14.449 -2.033 -7.006) 16.186 6.638 ( 7.376 -1.451 -1.068) 7.593 6.723 ( 0.583 0.628 -1.335) 1.586 6.761 ( 1.305 -0.439 -3.458) 3.722 6.780 ( 4.618 -0.246 0.344) 4.638 6.926 ( 1.118 -5.856 -2.194) 6.353 7.021 ( 2.847 -0.812 0.818) 3.071 7.158 ( 2.953 -0.263 4.189) 5.132 7.222 ( 7.713 -1.817 4.626) 9.176 7.265 ( 5.431 -3.551 6.727) 9.347 7.327 ( 9.902 3.674 -1.450) 10.660 7.423 ( 5.637 0.020 -2.145) 6.032 7.510 ( 1.954 3.265 3.699) 5.307 7.569 ( 6.467 2.342 -1.947) 7.149 7.669 ( 10.305 4.099 0.949) 11.131 7.831 ( -0.462 1.634 -0.896) 1.920 7.923 ( -0.379 3.386 2.009) 3.956 7.934 ( 2.832 -0.503 1.598) 3.290 7.983 ( 4.867 -3.492 0.816) 6.046 8.140 ( 0.223 0.467 -0.253) 0.576 8.313 ( 2.118 0.431 -2.615) 3.393 8.431 ( 0.606 3.269 2.273) 4.027 8.588 ( -0.055 1.293 4.124) 4.322 8.604 ( -9.234 -4.625 3.678) 10.963 8.688 ( -1.040 0.678 4.677) 4.839 8.787 ( 0.603 -3.275 -0.038) 3.330 8.891 ( 2.354 3.435 -5.941) 7.255 8.966 ( -2.587 0.652 -5.635) 6.235 9.000 ( 1.066 -0.129 -5.106) 5.217 9.028 ( 1.336 0.930 -5.504) 5.740 9.208 ( -1.053 -2.058 2.622) 3.496 9.291 ( -2.263 -3.316 8.248) 9.173 9.367 ( -2.792 -4.053 1.369) 5.109 9.381 ( 0.134 -4.484 -0.225) 4.492 9.459 ( 3.558 1.536 7.319) 8.282 9.524 ( 1.913 -2.521 3.022) 4.376 9.797 ( -1.113 2.978 2.362) 3.960 9.902 ( 1.534 2.524 0.065) 2.954 9.996 ( 5.616 1.034 -3.308) 6.600 10.088 ( -1.142 -0.169 -0.228) 1.177 10.165 ( -2.711 -2.031 4.283) 5.460 10.205 ( 4.547 0.480 -7.985) 9.201 10.312 ( 7.814 -1.427 -5.206) 9.497 10.454 ( 0.555 6.557 -4.251) 7.834 10.473 ( 5.380 1.362 2.626) 6.140 10.525 ( -4.216 1.993 1.986) 5.069 10.592 ( 1.031 1.715 1.680) 2.613 10.646 ( -1.294 1.933 2.489) 3.407 10.686 ( 5.391 3.849 0.032) 6.624 10.832 ( -8.019 3.692 0.552) 8.845 10.861 ( -2.539 1.935 0.531) 3.236 10.982 ( -4.622 -0.503 1.214) 4.806 11.139 ( 1.458 -4.373 1.734) 4.925 11.230 ( 2.118 -0.150 3.106) 3.763 11.270 ( 1.206 -1.772 -3.520) 4.121 11.336 ( 0.906 4.617 -2.319) 5.246 11.371 ( -3.921 -1.538 -3.258) 5.324 11.496 ( -3.301 -6.247 -3.296) 7.797 11.543 ( -1.509 -6.275 -4.467) 7.849 11.577 ( 1.137 -4.796 -1.308) 5.099 11.696 ( -1.462 -0.829 1.228) 2.082 11.917 ( -1.345 -1.115 1.733) 2.461 12.090 ( -4.883 2.779 -7.252) 9.173 12.154 ( 4.439 0.980 0.969) 4.648 12.295 ( -5.559 -1.269 -7.490) 9.414 12.354 ( -2.238 -4.095 8.625) 9.807 12.478 ( -6.317 -1.485 3.363) 7.309 12.507 ( -6.015 -1.318 3.983) 7.334 12.563 ( -8.596 0.671 0.830) 8.662 12.837 ( -0.223 -5.516 -2.988) 6.277 12.850 ( -12.509 -4.255 1.640) 13.314 12.866 ( -2.963 -3.938 2.513) 5.532 12.957 ( -8.586 -0.544 -1.169) 8.682 13.054 ( -2.219 -0.656 -10.021) 10.285 13.142 ( -1.385 3.578 -3.519) 5.206 13.252 ( -4.108 -3.469 -0.039) 5.377 13.476 ( -4.867 2.329 5.548) 7.740 13.573 ( -2.471 11.131 0.391) 11.409 13.783 ( -12.815 -1.458 2.069) 13.062 13.969 ( 2.288 2.903 0.821) 3.787 14.105 ( -5.038 -0.025 0.437) 5.057 14.293 ( -4.921 -0.670 -5.620) 7.500 14.384 ( 1.391 -3.201 -5.579) 6.581 14.418 ( -1.545 0.120 0.114) 1.554 14.691 ( -2.990 -2.329 1.396) 4.039 14.806 ( -7.846 0.593 0.732) 7.902 14.910 ( -5.217 -1.232 -3.322) 6.306 15.051 ( -1.778 -4.800 -3.816) 6.384 15.231 ( 13.592 5.102 7.917) 16.536 15.333 ( 3.578 3.948 -3.666) 6.467 15.378 ( 2.095 5.432 -2.782) 6.453 15.514 ( 9.348 3.195 -2.998) 10.324 16.007 ( -0.933 -0.597 -1.840) 2.147 16.272 ( 9.239 -1.190 10.745) 14.221 16.329 ( -1.338 -3.723 -1.070) 4.098 16.589 ( 9.101 -3.520 3.087) 10.235 16.676 ( 7.456 0.014 0.361) 7.465 16.725 ( 9.735 1.106 -0.971) 9.846 16.825 ( 3.099 -1.462 1.493) 3.737 16.972 ( 3.872 -4.391 -1.472) 6.037 20.843 ( -3.681 0.167 -1.660) 4.041 20.903 ( -1.680 -0.134 -1.317) 2.139 20.988 ( -6.105 -5.832 1.128) 8.518 21.194 ( -2.823 -9.453 -7.251) 12.243 21.933 ( -1.365 2.004 -2.587) 3.545 22.012 ( -6.331 -0.195 2.463) 6.796 22.060 ( -1.825 1.686 6.603) 7.055 22.356 ( 1.036 -3.496 -6.207) 7.199 22.515 ( -1.477 5.137 1.750) 5.624 22.657 ( 2.598 8.783 -1.733) 9.322 22.793 ( -1.649 5.996 0.079) 6.220 22.962 ( -0.152 16.638 -12.121) 20.586 23.102 ( -2.736 -6.567 3.650) 7.996 23.294 ( -6.774 -1.227 2.727) 7.405 23.534 ( 12.920 0.241 10.963) 16.946 23.807 ( -1.574 -1.301 4.888) 5.298 23.878 ( 0.252 -1.582 -1.523) 2.210 23.935 ( -0.500 -0.830 -2.553) 2.730 24.063 ( 10.144 0.199 1.446) 10.249 24.393 ( 2.453 -6.493 -6.624) 9.595 24.698 ( 1.861 -2.403 4.950) 5.808 24.864 ( -3.460 -3.030 6.062) 7.610 25.274 ( 15.810 13.532 6.049) 21.672 25.691 ( 16.617 -0.177 -3.228) 16.928 26.831 ( -3.891 0.058 -0.603) 3.938 26.838 ( -4.062 -0.202 1.096) 4.212 26.919 ( -5.837 -0.722 1.175) 5.998 27.020 ( -3.002 -3.748 -3.955) 6.221 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -16.606 12.482 21.223) 29.699 1.593 ( -18.303 17.730 24.427) 35.299 2.031 ( -5.677 1.635 -16.165) 17.210 2.423 ( -18.684 16.532 -7.040) 25.922 2.541 ( -15.324 11.468 0.561) 19.149 2.656 ( -5.074 -11.931 6.507) 14.507 2.873 ( -1.169 -6.503 5.195) 8.405 3.011 ( -1.898 1.133 -0.795) 2.349 3.062 ( 1.834 2.779 2.625) 4.240 3.107 ( -4.480 -13.179 4.372) 14.590 3.241 ( -0.323 -2.673 -1.176) 2.938 3.309 ( -3.236 -10.969 -1.055) 11.485 3.410 ( -0.967 -2.427 -2.712) 3.766 3.432 ( 1.739 1.187 -2.473) 3.248 3.544 ( -2.978 4.413 6.336) 8.276 3.656 ( 4.356 -3.177 -1.297) 5.545 3.671 ( -7.144 1.451 5.090) 8.891 3.747 ( 1.069 7.695 -2.144) 8.059 3.797 ( -0.969 0.323 -5.170) 5.270 3.892 ( -6.594 0.492 1.634) 6.811 3.896 ( -0.905 -1.312 2.622) 3.069 4.077 ( 4.642 -1.026 -2.279) 5.272 4.118 ( 2.791 0.809 2.854) 4.073 4.163 ( 1.750 2.477 -1.395) 3.338 4.192 ( -0.335 3.955 2.501) 4.691 4.324 ( -3.134 3.919 -0.257) 5.024 4.506 ( 1.525 4.039 -6.673) 7.948 4.518 ( 0.180 8.044 -3.294) 8.694 4.583 ( 5.802 1.387 -5.195) 7.911 4.705 ( 2.559 0.735 1.967) 3.311 4.756 ( -2.774 1.587 -0.134) 3.198 4.795 ( 1.695 6.982 1.240) 7.291 4.849 ( -1.145 -0.460 3.083) 3.321 4.952 ( -0.854 2.999 -7.851) 8.448 5.066 ( -2.037 0.414 -3.156) 3.779 5.147 ( -2.376 -3.247 4.402) 5.964 5.214 ( 3.062 -1.846 -4.400) 5.669 5.266 ( -13.758 0.417 -0.726) 13.784 5.347 ( -4.215 0.745 6.134) 7.480 5.459 ( -1.501 -1.568 -3.515) 4.131 5.477 ( -6.340 2.498 -2.867) 7.393 5.489 ( -5.875 -6.189 0.363) 8.541 5.573 ( -10.078 -0.976 -0.677) 10.148 5.633 ( -3.895 -0.369 1.671) 4.255 5.701 ( -1.589 -2.490 -2.054) 3.598 5.828 ( -0.845 1.543 -3.970) 4.342 5.899 ( -2.946 -0.182 5.403) 6.156 5.962 ( 0.608 -4.047 1.851) 4.491 6.111 ( 7.387 -0.850 -4.129) 8.505 6.220 ( 7.573 1.192 -0.647) 7.693 6.359 ( 6.720 -3.407 6.139) 9.718 6.540 ( 6.535 0.638 -6.746) 9.414 6.618 ( -3.162 -0.336 -2.871) 4.284 6.750 ( 6.562 -4.494 -1.436) 8.082 6.760 ( -0.313 -7.867 -0.041) 7.873 6.807 ( 4.990 -3.730 -2.145) 6.589 6.894 ( 5.761 -0.959 1.325) 5.988 6.960 ( 7.967 -6.265 2.337) 10.401 7.065 ( 2.295 -4.085 -6.720) 8.192 7.214 ( 1.795 7.165 -1.042) 7.459 7.320 ( 5.781 -2.741 1.993) 6.701 7.433 ( 2.603 -2.655 -2.585) 4.529 7.471 ( 2.536 -0.754 6.216) 6.756 7.490 ( 0.737 -0.795 2.916) 3.111 7.595 ( 3.602 1.634 0.183) 3.960 7.676 ( 3.725 4.840 0.391) 6.120 7.757 ( 2.841 8.470 5.331) 10.403 7.857 ( -1.797 1.929 -4.326) 5.066 8.015 ( 2.130 7.349 5.070) 9.179 8.031 ( 11.267 6.194 1.350) 12.928 8.094 ( 4.448 -2.812 3.537) 6.340 8.189 ( 5.125 -0.047 2.714) 5.800 8.285 ( -2.976 -1.448 -6.848) 7.605 8.440 ( -1.346 -2.089 1.209) 2.764 8.517 ( -1.716 3.729 5.905) 7.192 8.598 ( -1.277 -1.886 2.187) 3.158 8.661 ( -5.710 3.347 3.687) 7.576 8.799 ( 1.462 0.460 -3.057) 3.420 8.842 ( -3.432 -0.389 -7.562) 8.313 8.906 ( 3.122 4.839 -4.352) 7.219 8.947 ( -0.677 2.112 -5.563) 5.989 9.026 ( -5.555 1.972 -0.209) 5.898 9.149 ( 1.229 -7.542 4.154) 8.698 9.308 ( -0.775 -4.154 0.627) 4.272 9.424 ( 7.108 -1.829 3.801) 8.265 9.454 ( 3.686 -4.592 4.202) 7.234 9.530 ( 4.391 0.935 4.890) 6.638 9.677 ( 4.896 0.271 4.724) 6.809 9.825 ( 1.294 2.518 3.661) 4.628 9.921 ( 1.432 3.895 -2.422) 4.805 9.983 ( -7.504 -0.267 1.892) 7.743 10.056 ( 1.372 -1.898 -4.386) 4.972 10.156 ( -1.788 -1.378 -4.073) 4.657 10.219 ( 0.691 2.035 1.983) 2.925 10.365 ( -3.350 0.550 -2.710) 4.344 10.440 ( 1.042 -0.794 -1.410) 1.925 10.493 ( 1.666 -0.383 -1.077) 2.020 10.572 ( -2.598 4.306 -4.370) 6.662 10.588 ( 4.023 5.050 -5.383) 8.407 10.643 ( 5.603 -0.079 2.775) 6.253 10.737 ( 0.759 3.828 3.802) 5.448 10.783 ( 2.826 1.368 -2.225) 3.848 10.862 ( -7.852 -0.796 -3.494) 8.631 10.931 ( 4.633 6.345 0.436) 7.869 11.169 ( -3.912 -7.820 -4.390) 9.784 11.200 ( -0.831 -6.250 2.682) 6.852 11.245 ( -2.168 -1.999 -1.973) 3.548 11.309 ( -1.285 1.091 0.031) 1.686 11.364 ( -0.117 -1.885 4.245) 4.646 11.434 ( -0.713 -4.262 -8.441) 9.483 11.451 ( -0.364 -4.543 3.893) 5.994 11.576 ( 1.645 -1.823 -2.150) 3.264 11.729 ( 2.079 -1.863 3.998) 4.876 11.897 ( -10.443 2.231 -4.852) 11.729 11.970 ( 0.464 -2.075 -1.972) 2.900 12.054 ( -7.522 6.311 -2.928) 10.246 12.152 ( -9.431 -1.257 -2.277) 9.783 12.243 ( -5.320 -3.097 6.194) 8.733 12.363 ( -8.284 -1.012 -1.333) 8.452 12.443 ( -6.911 -0.949 -1.409) 7.117 12.503 ( -1.972 0.218 4.088) 4.544 12.567 ( -8.853 -1.587 6.768) 11.256 12.632 ( -9.752 1.781 -4.931) 11.072 12.803 ( -4.176 -5.970 3.416) 8.047 12.921 ( 2.786 -4.324 -4.528) 6.853 13.013 ( 0.418 -4.199 -5.850) 7.213 13.044 ( -3.093 2.991 -4.030) 5.895 13.173 ( -4.111 -5.938 -0.941) 7.283 13.423 ( -8.292 4.130 8.372) 12.486 13.540 ( -0.269 3.855 -1.155) 4.033 13.715 ( 2.024 -0.374 9.445) 9.666 14.022 ( -0.605 -0.401 4.951) 5.004 14.062 ( 3.992 1.764 -8.234) 9.319 14.184 ( -1.131 6.837 -6.975) 9.832 14.301 ( -2.476 9.486 -6.136) 11.565 14.395 ( -1.420 -3.607 -1.242) 4.070 14.548 ( -11.155 -1.603 6.891) 13.210 14.651 ( -7.212 0.703 -2.162) 7.562 14.837 ( -2.589 -2.324 3.415) 4.875 15.008 ( 0.074 -5.121 -1.406) 5.312 15.277 ( -0.525 4.868 -7.636) 9.071 15.390 ( -1.062 5.488 -3.225) 6.453 15.504 ( 7.817 1.275 6.632) 10.330 15.683 ( 7.213 0.097 -1.842) 7.445 16.042 ( 3.372 3.778 3.538) 6.178 16.278 ( -2.316 0.161 -2.044) 3.093 16.527 ( 8.109 -1.950 9.510) 12.649 16.765 ( 5.716 -5.688 -1.996) 8.307 16.815 ( 6.358 0.084 4.451) 7.762 16.893 ( 7.021 0.483 -1.744) 7.250 16.927 ( 5.457 -2.997 0.499) 6.246 17.038 ( 3.320 -3.789 -1.554) 5.272 20.764 ( -2.397 0.716 -2.371) 3.447 20.847 ( -5.752 -4.849 -0.610) 7.547 20.887 ( -1.832 -2.526 -0.783) 3.218 21.032 ( -7.393 -3.277 -5.279) 9.657 21.888 ( -5.050 1.286 2.975) 6.001 21.906 ( -0.634 1.433 -2.349) 2.824 22.089 ( -1.686 3.323 8.402) 9.191 22.310 ( 0.016 -1.089 -8.214) 8.285 22.522 ( 0.363 6.448 3.223) 7.218 22.692 ( 2.364 10.255 -3.073) 10.963 22.779 ( -0.953 1.987 1.002) 2.421 22.871 ( -1.460 12.899 -8.970) 15.779 23.072 ( -1.628 -2.716 1.975) 3.732 23.172 ( -5.868 -1.756 2.152) 6.492 23.804 ( 1.175 -1.121 5.283) 5.527 23.843 ( 6.289 -6.171 3.817) 9.603 23.929 ( 3.258 -1.898 0.227) 3.777 23.976 ( 5.503 -0.578 0.929) 5.611 24.201 ( 2.508 -1.486 -2.830) 4.062 24.355 ( -0.217 -6.041 -9.005) 10.846 24.786 ( 6.824 1.567 8.762) 11.215 24.975 ( 6.738 -7.616 2.194) 10.403 25.650 ( 16.322 9.860 10.999) 22.014 25.968 ( 13.034 2.082 -3.307) 13.607 26.757 ( -2.883 -0.010 -0.216) 2.891 26.758 ( -4.319 -0.059 0.713) 4.378 26.804 ( -5.521 -0.558 0.239) 5.554 26.881 ( -8.296 -3.459 -4.201) 9.921 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.113 14.319 12.664) 19.116 1.850 ( -0.797 -3.346 -7.165) 7.948 1.955 ( 1.235 14.744 10.752) 18.290 2.185 ( -0.627 -0.754 -8.526) 8.582 2.450 ( 0.012 -3.734 3.696) 5.253 2.562 ( 1.133 -12.011 -6.104) 13.521 2.847 ( 3.699 -6.855 1.926) 8.024 2.942 ( -0.062 -12.203 -6.082) 13.634 3.071 ( 0.317 10.637 2.629) 10.962 3.093 ( 1.874 2.246 -1.009) 3.094 3.258 ( 0.305 14.565 6.341) 15.889 3.314 ( 0.397 11.621 -0.289) 11.631 3.442 ( 1.051 -1.831 -1.720) 2.723 3.463 ( -2.625 3.013 -3.537) 5.336 3.608 ( -3.499 -5.110 3.878) 7.307 3.614 ( -5.473 0.761 4.739) 7.280 3.640 ( 1.907 -2.701 3.523) 4.831 3.677 ( 2.658 -8.395 -2.861) 9.259 3.811 ( 0.702 8.719 4.169) 9.690 3.895 ( -0.927 10.215 -4.098) 11.045 4.004 ( 1.177 -6.387 7.864) 10.199 4.063 ( -1.522 12.039 9.714) 15.544 4.104 ( 0.061 -6.253 -4.275) 7.574 4.284 ( -0.137 6.731 -0.734) 6.772 4.324 ( 1.924 5.228 1.158) 5.690 4.372 ( 1.954 -2.441 -2.082) 3.756 4.512 ( -1.835 -3.734 5.638) 7.007 4.562 ( 2.746 -5.669 -1.430) 6.460 4.620 ( -1.996 1.473 -4.240) 4.913 4.697 ( -1.502 -0.474 -2.564) 3.009 4.762 ( -0.277 -1.030 2.540) 2.755 4.830 ( 1.435 1.104 -1.136) 2.137 4.831 ( -4.214 -4.491 -0.932) 6.229 4.839 ( 2.722 -1.105 -5.156) 5.934 5.044 ( 2.003 -2.080 2.568) 3.865 5.058 ( -1.953 -0.233 0.284) 1.987 5.207 ( 1.646 -0.961 1.082) 2.191 5.272 ( -7.250 -1.713 1.466) 7.593 5.345 ( 3.910 2.984 0.554) 4.950 5.383 ( -1.576 8.373 6.365) 10.635 5.405 ( 1.618 1.031 -2.427) 3.094 5.464 ( -2.502 -1.761 -3.884) 4.945 5.548 ( 0.594 3.682 -0.943) 3.847 5.566 ( -0.773 3.698 0.202) 3.783 5.630 ( 3.000 3.497 -3.695) 5.906 5.703 ( -1.431 -4.619 -5.765) 7.524 5.860 ( -1.375 -2.207 -0.388) 2.629 5.923 ( 4.829 -5.752 -4.527) 8.769 6.216 ( 0.740 1.740 2.614) 3.226 6.268 ( -2.626 -3.051 -0.210) 4.031 6.366 ( 0.850 -4.212 3.331) 5.437 6.419 ( 0.380 -9.316 -1.531) 9.449 6.580 ( 2.109 3.719 -3.981) 5.842 6.606 ( -2.516 4.368 -5.800) 7.684 6.729 ( -2.225 -8.185 1.637) 8.638 6.783 ( -1.350 -13.164 -4.429) 13.954 6.864 ( 1.387 1.496 -0.342) 2.069 6.957 ( 0.471 -1.256 -4.280) 4.486 7.028 ( 1.724 2.058 2.944) 3.985 7.161 ( -1.509 -6.381 -6.772) 9.426 7.453 ( -4.444 3.110 7.842) 9.535 7.482 ( -1.293 0.223 6.848) 6.972 7.525 ( 2.479 3.514 0.738) 4.363 7.560 ( 3.973 0.363 0.822) 4.073 7.734 ( 3.876 5.458 0.316) 6.701 7.782 ( -0.700 1.055 -3.341) 3.573 7.882 ( -0.598 5.620 3.404) 6.598 7.931 ( -1.136 3.214 -0.800) 3.502 8.075 ( -4.884 -3.127 5.861) 8.245 8.120 ( -4.593 -5.468 2.750) 7.652 8.208 ( 0.871 5.712 3.318) 6.664 8.266 ( -0.103 2.892 -0.265) 2.906 8.355 ( -1.222 5.055 5.465) 7.544 8.433 ( 3.252 2.331 0.322) 4.014 8.559 ( 3.010 -3.409 7.046) 8.386 8.577 ( 2.267 -5.479 6.276) 8.634 8.638 ( -0.247 2.108 0.274) 2.140 8.698 ( 0.189 -4.635 -0.518) 4.668 8.799 ( -4.969 3.593 -9.616) 11.404 8.813 ( -8.363 1.062 -4.178) 9.409 8.982 ( 0.839 5.421 0.594) 5.518 9.100 ( 8.305 -1.927 -6.406) 10.664 9.164 ( 2.723 -1.405 0.243) 3.074 9.241 ( 2.199 -4.181 -4.186) 6.312 9.401 ( -1.113 -2.377 0.317) 2.644 9.433 ( 0.948 -5.012 -3.521) 6.198 9.814 ( 0.646 5.968 3.889) 7.152 9.829 ( 4.490 3.622 2.358) 6.232 9.883 ( 2.525 1.916 4.542) 5.538 9.903 ( -2.746 -0.799 3.165) 4.266 9.937 ( -0.889 4.454 2.419) 5.146 10.023 ( -4.445 -1.911 -2.263) 5.342 10.171 ( 3.967 2.662 1.654) 5.056 10.197 ( -4.844 -1.204 -0.255) 4.998 10.297 ( 0.345 -0.933 -2.672) 2.851 10.341 ( -4.239 -4.703 -5.528) 8.405 10.546 ( -4.948 1.034 -0.305) 5.064 10.554 ( 0.236 0.656 0.354) 0.782 10.651 ( -2.162 5.848 0.104) 6.236 10.674 ( 0.626 4.937 -1.289) 5.140 10.760 ( 0.579 -1.861 0.075) 1.951 10.814 ( 0.636 -5.748 1.223) 5.911 10.849 ( 9.082 0.358 -2.834) 9.520 10.928 ( -5.683 -4.558 -3.192) 7.953 11.006 ( 5.504 4.593 0.796) 7.213 11.070 ( -5.429 1.556 -5.947) 8.201 11.147 ( 0.025 -7.108 1.880) 7.352 11.171 ( -6.664 -5.753 -2.494) 9.150 11.370 ( -4.318 7.248 7.265) 11.133 11.494 ( -1.634 -3.868 1.276) 4.388 11.528 ( 2.053 3.491 -4.126) 5.781 11.594 ( 4.746 -2.682 -5.290) 7.597 11.715 ( 6.127 0.797 2.717) 6.750 11.738 ( 2.741 -0.912 1.353) 3.190 11.856 ( -3.804 -0.305 2.603) 4.620 11.902 ( -1.625 -4.319 -1.581) 4.877 12.185 ( 5.311 1.160 0.659) 5.477 12.221 ( 2.711 -1.559 -1.368) 3.413 12.290 ( 1.017 0.577 -2.065) 2.373 12.309 ( -0.715 -0.343 -2.846) 2.954 12.425 ( -1.461 2.200 1.446) 3.011 12.452 ( 0.060 -0.474 -1.965) 2.022 12.745 ( 1.858 1.112 1.841) 2.842 12.788 ( -1.373 -1.718 -1.907) 2.911 12.825 ( 1.348 -0.871 5.210) 5.451 12.892 ( -0.515 -5.967 3.107) 6.747 12.943 ( -2.492 1.916 -6.214) 6.964 12.991 ( -0.046 -3.676 -6.047) 7.077 13.564 ( 3.938 10.688 3.127) 11.812 13.618 ( -1.884 6.140 -2.532) 6.904 13.775 ( 2.548 -6.009 4.969) 8.203 13.828 ( -4.716 -9.915 -0.998) 11.025 14.225 ( 4.356 3.455 5.254) 7.649 14.275 ( -0.914 1.124 -0.193) 1.462 14.382 ( 2.063 1.127 2.997) 3.809 14.406 ( -4.404 2.066 0.028) 4.865 14.533 ( 3.667 9.005 -3.357) 10.287 14.559 ( -0.843 3.268 -4.509) 5.632 14.769 ( -0.098 -3.402 2.805) 4.410 14.841 ( -1.066 -8.510 -4.235) 9.566 15.369 ( -0.166 5.014 1.965) 5.388 15.413 ( -2.245 2.017 -1.065) 3.200 15.610 ( 0.772 0.534 0.121) 0.947 15.669 ( 0.038 -4.121 -4.674) 6.231 16.248 ( -0.604 7.855 8.006) 11.232 16.335 ( 1.961 1.920 -0.299) 2.760 16.596 ( -0.332 -2.481 5.449) 5.997 16.665 ( -0.573 -6.915 -1.568) 7.114 16.893 ( -0.021 -0.714 1.917) 2.046 16.903 ( 0.400 -1.911 0.900) 2.150 16.999 ( 0.017 1.313 -1.410) 1.926 17.023 ( 0.045 -1.045 -2.775) 2.965 20.731 ( -0.363 1.551 0.632) 1.714 20.753 ( 0.695 -0.118 -1.656) 1.800 20.861 ( 0.181 -0.943 0.568) 1.115 20.878 ( -1.504 -2.169 -1.291) 2.938 21.876 ( -2.207 1.977 3.709) 4.748 21.903 ( -0.666 -0.716 1.540) 1.824 22.179 ( 0.173 4.123 2.262) 4.706 22.248 ( 1.553 -2.658 -4.188) 5.198 22.737 ( 2.783 5.468 3.579) 7.103 22.781 ( -0.056 0.522 -0.674) 0.854 22.907 ( 0.659 7.850 0.227) 7.881 22.952 ( -2.983 3.354 -3.805) 5.884 23.065 ( 0.360 0.883 3.283) 3.419 23.094 ( -0.733 1.934 0.016) 2.069 23.773 ( 0.922 -6.590 1.074) 6.741 23.806 ( -0.422 -6.375 -1.779) 6.632 23.974 ( 2.874 1.644 3.747) 5.000 24.018 ( 3.039 -2.459 2.745) 4.777 24.110 ( -3.809 -0.734 -6.441) 7.519 24.123 ( -3.281 -3.228 -11.058) 11.978 24.946 ( 1.641 -0.721 2.831) 3.351 24.959 ( 0.171 -2.348 1.664) 2.883 26.013 ( 0.475 4.852 4.720) 6.786 26.093 ( 0.672 -2.872 -3.710) 4.740 26.719 ( -0.505 0.351 0.198) 0.646 26.722 ( 0.132 0.291 -0.126) 0.344 26.731 ( 0.269 -0.214 0.256) 0.429 26.736 ( -0.191 -0.511 -0.318) 0.631 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 12.774 10.014 10.044) 19.087 1.902 ( 12.106 2.269 -9.233) 15.393 2.211 ( 15.124 10.036 13.497) 22.619 2.294 ( 14.772 4.262 -10.705) 18.734 2.533 ( 6.155 -1.717 0.844) 6.446 2.593 ( 6.307 -6.584 -4.793) 10.300 2.857 ( -0.957 -10.717 -0.914) 10.799 2.893 ( 1.054 -14.152 -4.604) 14.919 3.078 ( -1.643 0.585 -2.307) 2.892 3.095 ( -0.871 -1.023 -1.620) 2.104 3.266 ( -2.333 8.242 0.785) 8.602 3.326 ( 1.232 12.672 -0.836) 12.759 3.352 ( -5.893 -0.720 0.537) 5.961 3.478 ( -2.003 3.649 0.125) 4.164 3.530 ( -0.982 -4.255 2.146) 4.866 3.569 ( -1.535 -5.591 3.771) 6.916 3.738 ( -5.453 4.262 -0.705) 6.956 3.797 ( 6.042 1.072 3.679) 7.155 3.874 ( 4.268 3.351 2.183) 5.849 3.903 ( 5.555 2.124 0.305) 5.955 3.939 ( -2.678 -6.778 0.792) 7.331 4.041 ( -5.573 -5.164 0.945) 7.656 4.208 ( 3.654 12.362 8.993) 15.717 4.282 ( 3.925 12.112 -5.380) 13.822 4.323 ( -0.193 2.314 -2.645) 3.519 4.419 ( 5.797 4.104 -6.025) 9.314 4.509 ( 0.109 1.831 3.012) 3.526 4.528 ( -0.479 1.372 0.507) 1.539 4.616 ( -1.210 -0.406 0.200) 1.292 4.689 ( 3.104 -4.788 3.579) 6.736 4.756 ( 2.774 2.526 4.005) 5.488 4.798 ( 1.539 0.771 -2.637) 3.150 4.866 ( 2.123 -1.187 -3.806) 4.517 4.955 ( 3.767 -7.532 -2.999) 8.940 5.033 ( 0.697 6.225 4.462) 7.691 5.131 ( 1.787 2.625 -1.759) 3.630 5.187 ( 5.635 -3.689 -1.647) 6.934 5.234 ( 1.771 -9.428 4.609) 10.643 5.368 ( -2.189 4.701 3.881) 6.477 5.393 ( 2.093 1.774 1.037) 2.933 5.477 ( 1.833 -1.255 1.046) 2.455 5.521 ( -1.629 -2.090 3.838) 4.664 5.585 ( 3.239 -1.558 -1.251) 3.806 5.613 ( 6.159 2.376 -1.963) 6.887 5.670 ( 5.004 -0.448 -1.311) 5.193 5.749 ( 8.024 4.172 2.629) 9.418 5.873 ( 7.770 1.461 -10.106) 12.831 6.048 ( 6.878 -1.098 -4.969) 8.556 6.138 ( -8.697 3.211 -1.250) 9.355 6.202 ( 0.384 -6.951 1.489) 7.119 6.285 ( -10.275 -4.863 0.681) 11.388 6.346 ( -7.145 -9.666 -2.200) 12.220 6.545 ( -3.541 -0.436 0.940) 3.689 6.620 ( -2.860 -3.513 -1.110) 4.664 6.665 ( 6.084 0.577 0.331) 6.120 6.768 ( -1.140 -10.692 0.778) 10.781 6.827 ( -4.077 7.668 2.289) 8.981 6.923 ( 0.392 0.063 -3.413) 3.436 7.019 ( -4.932 1.340 -2.145) 5.543 7.109 ( -0.786 -6.664 0.453) 6.726 7.373 ( -5.861 6.359 3.813) 9.452 7.456 ( -3.662 -1.516 3.768) 5.468 7.501 ( -6.222 2.228 -2.874) 7.207 7.537 ( -4.376 0.663 -0.061) 4.426 7.762 ( -0.532 3.585 -4.386) 5.690 7.782 ( -0.025 2.971 -0.084) 2.973 7.836 ( -8.311 4.505 1.229) 9.533 7.897 ( -5.209 -0.307 0.814) 5.281 7.950 ( -5.117 -1.845 6.894) 8.781 8.040 ( -5.933 -4.788 4.633) 8.921 8.191 ( -5.872 2.020 2.111) 6.559 8.216 ( -3.622 0.096 1.251) 3.833 8.310 ( -2.742 10.496 -0.783) 10.877 8.497 ( 0.867 -4.321 2.799) 5.221 8.544 ( -6.954 3.286 -4.821) 9.077 8.618 ( 0.913 -1.018 -1.205) 1.822 8.669 ( -0.215 -2.550 5.507) 6.073 8.674 ( -1.210 -3.076 -0.340) 3.323 8.762 ( 4.339 4.182 6.509) 8.870 8.845 ( 5.817 -2.865 4.746) 8.036 8.995 ( 0.755 7.360 -1.093) 7.479 9.096 ( -5.491 -0.433 -1.399) 5.683 9.181 ( 3.342 0.622 -8.026) 8.716 9.260 ( 2.366 -6.143 -6.351) 9.148 9.383 ( -1.271 -2.430 -0.294) 2.758 9.412 ( -1.690 -5.067 -1.223) 5.479 9.644 ( -6.587 3.776 -2.303) 7.934 9.711 ( -6.507 -2.526 -1.358) 7.111 9.910 ( 0.124 2.307 -0.033) 2.311 9.948 ( 2.421 -0.244 -4.284) 4.927 10.003 ( 1.223 3.167 0.245) 3.404 10.049 ( -4.371 -2.507 -0.212) 5.044 10.157 ( 5.178 10.108 3.095) 11.771 10.278 ( 3.425 0.058 2.329) 4.142 10.290 ( -0.960 1.644 4.659) 5.033 10.358 ( -2.522 -4.831 1.500) 5.652 10.457 ( -1.641 -1.429 1.232) 2.501 10.511 ( 0.280 -5.721 6.574) 8.719 10.626 ( -0.457 5.147 1.576) 5.402 10.672 ( -0.539 2.383 -0.382) 2.473 10.767 ( 0.383 2.641 -1.754) 3.194 10.826 ( -0.961 1.995 -1.566) 2.712 10.898 ( 4.041 -3.619 5.079) 7.431 10.941 ( -0.370 0.556 -4.918) 4.963 11.028 ( -1.302 1.988 -0.380) 2.406 11.061 ( -0.299 -3.467 1.704) 3.874 11.132 ( 8.081 -0.497 5.550) 9.816 11.231 ( 0.943 -5.109 2.181) 5.634 11.358 ( 3.180 4.570 4.168) 6.954 11.436 ( -3.463 -0.159 2.170) 4.090 11.469 ( -0.996 -1.093 -6.265) 6.437 11.539 ( -4.634 -5.032 -7.150) 9.896 11.800 ( 1.379 0.251 -3.835) 4.083 11.829 ( 4.010 -2.807 -2.360) 5.434 11.942 ( 7.564 2.657 1.561) 8.168 12.040 ( 8.107 -6.394 1.220) 10.396 12.200 ( 3.718 5.433 -3.597) 7.502 12.288 ( 8.331 -3.670 -3.155) 9.635 12.407 ( 6.490 4.162 -4.555) 8.955 12.430 ( 10.950 0.272 -2.567) 11.250 12.514 ( 11.433 -0.675 1.276) 11.524 12.553 ( 9.293 -1.539 2.582) 9.767 12.666 ( -4.723 -0.440 -0.248) 4.750 12.746 ( -1.601 -6.369 2.040) 6.877 12.852 ( -0.627 4.980 -3.680) 6.224 12.935 ( 1.471 -0.464 -2.341) 2.804 12.986 ( 5.922 -3.195 2.198) 7.079 13.028 ( 7.023 -3.861 0.460) 8.027 13.553 ( 1.181 4.423 -2.222) 5.088 13.662 ( -0.925 -4.707 -2.796) 5.553 13.743 ( 3.681 7.037 4.760) 9.259 13.917 ( 4.726 -8.160 1.609) 9.566 14.178 ( -4.830 4.349 -3.582) 7.421 14.235 ( -3.606 -1.400 1.165) 4.040 14.376 ( 0.902 11.114 -0.889) 11.186 14.537 ( 6.142 1.423 4.462) 7.723 14.542 ( 1.639 1.374 -5.966) 6.337 14.643 ( 9.608 1.572 -2.216) 9.984 14.803 ( 0.336 -5.536 0.147) 5.548 14.827 ( 2.833 -5.417 2.785) 6.718 15.335 ( -3.579 5.382 1.086) 6.554 15.392 ( -1.698 0.507 3.752) 4.149 15.559 ( -3.994 2.641 -1.847) 5.132 15.645 ( -1.948 -4.748 -1.627) 5.384 16.212 ( -5.974 9.078 2.439) 11.138 16.334 ( -1.077 0.297 -2.748) 2.966 16.559 ( -6.131 -3.095 1.628) 7.058 16.612 ( -4.154 -5.010 1.188) 6.616 16.853 ( -4.480 0.202 1.668) 4.785 16.875 ( -3.653 -0.696 -1.577) 4.039 16.915 ( -6.941 -1.222 1.761) 7.265 16.931 ( -6.819 -1.313 -2.981) 7.557 20.759 ( 2.963 1.795 0.041) 3.465 20.791 ( 3.776 -1.479 -1.146) 4.214 20.865 ( 1.187 0.866 0.660) 1.610 20.915 ( 3.387 -3.656 1.478) 5.198 21.875 ( -0.626 2.588 4.365) 5.113 21.918 ( 0.679 -1.680 2.924) 3.440 22.216 ( 2.369 3.625 1.164) 4.484 22.267 ( 2.972 -1.280 -5.049) 5.997 22.723 ( -2.557 6.199 -3.172) 7.418 22.801 ( 0.910 -1.486 -1.496) 2.296 22.894 ( -0.938 9.085 -0.606) 9.154 22.941 ( 0.922 5.924 3.778) 7.087 23.085 ( 0.982 3.164 1.213) 3.528 23.129 ( 3.816 -1.887 1.619) 4.554 23.737 ( -5.262 -7.685 -3.295) 9.879 23.762 ( -2.965 -9.039 2.161) 9.756 23.971 ( -3.937 0.141 -5.056) 6.409 23.984 ( -4.111 -1.298 -3.887) 5.804 24.089 ( 3.867 0.429 4.221) 5.741 24.116 ( 3.148 -1.969 1.986) 4.211 24.897 ( -5.174 -0.009 -1.310) 5.338 24.917 ( -4.143 -1.816 0.486) 4.550 25.897 ( -13.284 3.696 0.523) 13.799 25.936 ( -13.497 -0.102 -1.292) 13.559 26.759 ( 3.260 0.424 0.031) 3.287 26.766 ( 4.048 -0.300 -0.335) 4.073 26.793 ( 5.843 -0.412 0.165) 5.860 26.803 ( 5.853 -1.314 -0.105) 5.999 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 22.005 8.839 -5.922) 24.442 2.206 ( 18.950 6.645 4.354) 20.548 2.491 ( 12.047 5.941 -9.923) 16.700 2.578 ( 13.881 -4.088 2.263) 14.647 2.668 ( 7.563 2.844 -1.107) 8.156 2.757 ( 7.124 3.921 3.169) 8.728 2.923 ( 3.703 -6.322 5.128) 8.943 2.958 ( 10.678 -12.429 -2.642) 16.597 3.006 ( -2.620 -2.361 -0.245) 3.535 3.089 ( 3.455 -10.588 2.654) 11.450 3.217 ( -5.959 0.058 -0.416) 5.974 3.248 ( -3.646 -5.232 1.985) 6.679 3.333 ( -2.377 8.717 3.669) 9.752 3.394 ( -3.856 3.721 0.862) 5.428 3.482 ( -5.216 -0.372 -0.096) 5.230 3.541 ( -6.224 -3.577 5.065) 8.786 3.608 ( -4.329 -4.702 -2.639) 6.915 3.637 ( -14.503 -5.192 0.024) 15.404 3.836 ( -0.843 6.795 0.455) 6.862 3.942 ( -3.876 -3.019 2.903) 5.707 4.123 ( 4.557 5.023 1.985) 7.067 4.138 ( 10.181 5.091 -1.759) 11.518 4.222 ( -4.569 -1.814 -1.646) 5.184 4.248 ( 1.294 -0.175 -2.312) 2.655 4.394 ( 9.930 10.916 -6.249) 16.026 4.486 ( 2.596 5.195 -0.824) 5.866 4.565 ( 2.737 0.724 1.484) 3.196 4.620 ( 3.230 1.232 -1.135) 3.639 4.625 ( 3.408 1.491 -1.673) 4.079 4.707 ( -3.854 -1.533 -2.514) 4.850 4.844 ( 10.011 7.501 -5.922) 13.840 4.916 ( 5.852 4.239 2.714) 7.719 4.966 ( 10.625 0.935 6.437) 12.458 5.043 ( 8.825 -0.746 -0.592) 8.876 5.135 ( 6.732 8.467 8.838) 13.968 5.206 ( 0.623 2.276 3.957) 4.607 5.258 ( 3.267 -1.272 0.352) 3.524 5.302 ( -2.136 -0.769 2.043) 3.054 5.356 ( -1.703 -2.490 2.895) 4.181 5.423 ( 2.076 -5.819 3.695) 7.199 5.479 ( 3.457 -1.104 -5.684) 6.744 5.594 ( 8.053 -6.501 2.429) 10.631 5.627 ( 1.381 -3.422 -2.139) 4.266 5.689 ( -0.605 -3.707 1.723) 4.133 5.818 ( -2.548 9.290 3.210) 10.154 5.824 ( 5.724 7.346 -5.782) 10.962 5.942 ( -2.531 -3.357 -10.278) 11.105 6.008 ( 0.451 -0.101 0.704) 0.842 6.073 ( 4.083 3.036 0.584) 5.122 6.142 ( -10.235 -6.174 1.778) 12.085 6.173 ( 5.424 -0.870 -1.435) 5.677 6.292 ( 4.119 -11.827 -5.251) 13.580 6.469 ( -4.307 4.897 2.986) 7.173 6.606 ( -1.447 -6.885 -1.673) 7.232 6.728 ( 0.437 1.754 -0.831) 1.990 6.736 ( 1.084 2.508 3.387) 4.352 6.868 ( -4.394 3.451 -1.278) 5.731 6.879 ( 3.622 1.354 -1.605) 4.187 6.935 ( -1.588 3.221 -0.618) 3.644 7.074 ( -4.622 -8.434 4.743) 10.723 7.245 ( -6.586 4.762 -0.354) 8.135 7.339 ( -7.062 -3.874 -0.052) 8.055 7.393 ( -4.105 3.099 -2.160) 5.578 7.439 ( -4.746 1.105 -3.411) 5.948 7.603 ( -12.051 3.356 3.323) 12.944 7.658 ( -7.791 5.208 -1.729) 9.529 7.715 ( -9.265 -3.710 3.147) 10.464 7.786 ( -7.162 -7.922 0.382) 10.687 7.908 ( -0.672 2.070 0.016) 2.177 7.937 ( -6.315 1.458 2.723) 7.030 8.075 ( -3.743 1.128 0.570) 3.951 8.127 ( -6.476 -1.087 -3.166) 7.290 8.273 ( -0.783 7.449 3.092) 8.104 8.447 ( -3.243 -7.925 3.722) 9.337 8.506 ( 0.373 4.202 0.978) 4.331 8.617 ( -1.021 -6.036 2.423) 6.584 8.699 ( 1.263 2.266 6.430) 6.934 8.729 ( 0.091 0.717 6.502) 6.542 8.818 ( 1.126 3.284 -1.296) 3.706 8.908 ( -2.914 -2.784 -0.520) 4.063 8.994 ( -1.809 2.767 1.308) 3.555 9.023 ( 0.876 0.325 1.026) 1.387 9.175 ( 1.048 2.347 -0.700) 2.664 9.273 ( 2.668 -6.840 -4.118) 8.418 9.337 ( -2.593 -1.652 -0.991) 3.230 9.360 ( -1.450 -3.438 -0.623) 3.783 9.566 ( -0.013 1.851 -6.971) 7.213 9.622 ( -0.014 -3.628 -8.690) 9.417 9.897 ( -4.482 2.245 -1.101) 5.132 9.933 ( -5.589 -1.646 -2.459) 6.324 9.986 ( 5.956 5.185 -2.422) 8.260 10.045 ( 1.452 -1.164 0.571) 1.947 10.141 ( -4.115 0.971 -0.252) 4.236 10.177 ( -5.184 -2.378 1.799) 5.981 10.357 ( 3.501 8.747 1.986) 9.629 10.457 ( 2.704 5.917 6.510) 9.203 10.486 ( 3.262 -2.355 4.653) 6.151 10.594 ( -1.466 -2.048 1.417) 2.890 10.627 ( -2.193 -0.101 0.033) 2.195 10.649 ( 0.528 -0.071 1.322) 1.426 10.772 ( -1.273 2.858 -1.267) 3.376 10.842 ( 2.662 3.527 6.886) 8.182 10.896 ( -1.550 -2.371 7.728) 8.231 10.928 ( -1.554 -8.326 -1.276) 8.565 11.082 ( 0.979 3.436 3.006) 4.669 11.125 ( 7.429 1.286 2.189) 7.851 11.194 ( -2.069 1.971 -0.731) 2.949 11.264 ( -0.110 -3.373 -2.824) 4.400 11.380 ( 0.196 -1.289 -1.332) 1.864 11.392 ( 1.080 1.732 0.636) 2.138 11.488 ( 2.774 -0.834 1.506) 3.264 11.534 ( 5.436 -6.136 -6.245) 10.306 11.766 ( 0.921 2.392 -5.354) 5.936 11.876 ( 2.170 -7.595 -2.667) 8.337 12.066 ( 2.977 3.173 0.678) 4.403 12.135 ( 2.086 -3.627 0.341) 4.198 12.238 ( 0.508 7.383 1.486) 7.548 12.410 ( -0.291 -8.152 1.058) 8.225 12.464 ( 4.846 2.012 -4.353) 6.818 12.518 ( -2.615 1.403 -2.304) 3.757 12.621 ( 5.820 0.465 -2.728) 6.444 12.752 ( 2.011 -7.864 -0.497) 8.132 12.837 ( 2.908 2.913 -5.149) 6.592 12.871 ( 13.791 1.257 7.720) 15.854 12.890 ( 11.544 -1.804 -2.126) 11.876 12.922 ( 10.735 -3.105 -1.842) 11.326 13.134 ( 8.214 3.254 0.447) 8.847 13.204 ( 9.267 -4.037 -0.821) 10.141 13.613 ( 5.807 4.393 -3.392) 8.033 13.709 ( 7.649 -5.267 -0.906) 9.331 13.852 ( 3.617 8.593 0.162) 9.324 13.987 ( 1.897 -2.675 2.093) 3.890 14.124 ( 2.467 0.187 -0.358) 2.500 14.186 ( -1.968 -4.033 1.261) 4.661 14.368 ( -0.091 10.287 -0.578) 10.304 14.519 ( 0.858 0.102 -5.869) 5.932 14.613 ( -2.061 -1.101 2.071) 3.122 14.731 ( -2.783 -7.067 -1.019) 7.663 14.903 ( 9.457 2.666 3.140) 10.315 14.956 ( 7.931 -2.370 3.885) 9.144 15.295 ( -1.681 4.128 3.273) 5.530 15.349 ( -3.915 -1.289 1.793) 4.495 15.461 ( -5.680 3.893 -1.755) 7.106 15.522 ( -9.430 -1.183 -1.414) 9.609 16.090 ( -5.626 8.604 -0.640) 10.300 16.266 ( -3.378 -7.843 -3.656) 9.289 16.413 ( -7.411 3.543 -1.569) 8.362 16.508 ( -7.163 -4.759 0.961) 8.653 16.717 ( -8.744 1.988 -0.934) 9.015 16.730 ( -8.926 1.315 0.321) 9.028 16.808 ( -2.534 -2.042 -0.602) 3.310 16.841 ( -2.859 -4.577 1.304) 5.552 20.836 ( 4.443 0.896 -0.423) 4.552 20.875 ( 4.991 -3.434 -0.216) 6.062 20.915 ( 2.651 2.830 1.555) 4.178 20.995 ( 3.002 -5.043 2.072) 6.224 21.906 ( 0.581 3.249 5.343) 6.280 21.966 ( 1.655 -2.858 4.951) 5.951 22.260 ( 1.027 2.318 -4.330) 5.018 22.279 ( 1.673 0.914 -3.681) 4.146 22.671 ( -0.232 8.014 -1.744) 8.204 22.802 ( 1.701 -3.291 -1.027) 3.844 22.874 ( -1.361 9.917 -1.092) 10.069 22.974 ( -0.169 3.296 4.260) 5.388 23.149 ( 4.357 4.553 0.878) 6.362 23.249 ( 7.560 -5.611 0.229) 9.418 23.569 ( -9.548 -2.028 -1.253) 9.841 23.703 ( -5.615 -11.558 6.638) 14.463 23.874 ( -2.625 0.507 -3.765) 4.618 23.896 ( -2.214 -1.440 -4.030) 4.818 24.136 ( -2.029 1.893 -1.020) 2.956 24.176 ( 1.380 -2.763 0.517) 3.131 24.811 ( -0.752 3.256 -1.669) 3.735 24.874 ( 1.807 -2.784 -0.568) 3.367 25.559 ( -18.424 4.842 -3.352) 19.342 25.612 ( -18.815 -0.650 2.433) 18.983 26.832 ( 3.708 0.784 0.125) 3.792 26.848 ( 4.034 -0.678 -0.428) 4.113 26.914 ( 5.198 -0.982 0.878) 5.362 26.920 ( 5.614 -1.463 -0.662) 5.839 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 13.583 3.811 2.213) 14.280 2.599 ( 19.561 3.513 -2.847) 20.077 2.663 ( 10.671 5.955 -3.324) 12.664 2.744 ( -0.318 2.027 -0.550) 2.125 2.794 ( -1.487 -2.469 0.988) 3.046 2.821 ( 7.438 -7.175 2.156) 10.557 2.959 ( -5.098 -4.017 -0.116) 6.492 2.979 ( -10.322 -0.735 0.163) 10.349 3.049 ( 0.037 2.986 1.364) 3.283 3.107 ( 6.151 -0.645 3.813) 7.265 3.215 ( -10.904 0.529 0.936) 10.957 3.265 ( 5.288 -4.012 2.969) 7.272 3.334 ( -1.933 -7.996 -0.415) 8.237 3.344 ( 1.834 -3.527 7.720) 8.684 3.391 ( 0.172 1.834 -0.378) 1.881 3.447 ( -4.464 -1.082 0.443) 4.615 3.506 ( 8.424 -1.662 5.701) 10.307 3.563 ( 1.756 -6.014 0.986) 6.342 3.835 ( -0.258 4.837 -4.429) 6.563 3.918 ( -2.744 -2.918 -2.295) 4.617 4.059 ( -5.364 2.774 6.503) 8.875 4.096 ( -4.272 0.146 2.296) 4.852 4.255 ( 1.967 3.329 -9.239) 10.016 4.297 ( 3.525 -1.288 -4.755) 6.058 4.344 ( -7.320 3.911 -0.755) 8.333 4.433 ( -8.682 -2.621 -5.945) 10.844 4.610 ( 0.483 1.358 0.793) 1.645 4.673 ( 0.203 -1.907 -0.186) 1.927 4.734 ( 9.206 5.434 5.711) 12.120 4.799 ( 10.109 -0.509 4.350) 11.017 4.929 ( -0.574 10.718 -0.694) 10.756 5.014 ( 1.654 8.661 -9.232) 12.766 5.158 ( 1.359 11.334 -0.241) 11.418 5.216 ( 1.816 3.140 2.283) 4.286 5.247 ( 2.058 -1.135 4.979) 5.506 5.284 ( 6.476 0.055 -3.564) 7.392 5.290 ( -0.208 2.789 4.919) 5.658 5.298 ( 4.971 0.251 6.930) 8.532 5.434 ( 0.557 1.116 2.043) 2.393 5.467 ( 3.982 4.755 0.226) 6.207 5.516 ( -1.044 -0.637 -1.340) 1.814 5.586 ( 1.321 -2.488 -0.103) 2.818 5.674 ( 1.304 -2.946 2.316) 3.968 5.715 ( 4.325 -3.729 2.794) 6.358 5.794 ( -7.308 -4.640 -4.122) 9.587 5.811 ( 1.083 1.365 -3.211) 3.653 5.933 ( 3.664 -8.175 0.533) 8.974 5.959 ( 1.245 -2.602 -11.416) 11.775 6.022 ( -2.330 0.619 -2.630) 3.567 6.052 ( -6.671 -3.165 -4.562) 8.679 6.346 ( 7.747 6.413 6.517) 11.984 6.433 ( 10.520 1.928 1.781) 10.843 6.485 ( 4.923 1.746 3.291) 6.174 6.576 ( 1.601 -3.125 -3.777) 5.157 6.654 ( -9.030 3.862 0.402) 9.830 6.739 ( -5.780 -4.180 -0.908) 7.190 6.796 ( 1.379 5.033 0.977) 5.309 6.864 ( -1.147 4.683 -0.772) 4.883 6.926 ( -0.918 -4.563 -2.666) 5.364 6.957 ( -5.837 -2.029 -1.499) 6.358 7.220 ( 0.943 0.777 3.720) 3.915 7.259 ( -6.438 -0.994 3.823) 7.553 7.285 ( 0.459 4.562 -5.362) 7.055 7.362 ( -0.979 -1.495 -4.319) 4.674 7.426 ( -5.263 5.932 2.797) 8.409 7.533 ( -5.995 1.278 -1.797) 6.387 7.558 ( -5.145 0.053 -0.078) 5.146 7.603 ( -6.177 -9.533 2.253) 11.580 7.858 ( -3.079 4.181 4.053) 6.587 7.960 ( 1.545 -3.730 1.219) 4.218 7.997 ( -1.930 2.168 -2.448) 3.797 8.069 ( -0.336 -4.540 1.378) 4.757 8.287 ( 0.741 1.922 3.139) 3.755 8.373 ( -4.451 -4.578 0.946) 6.455 8.524 ( -0.716 2.636 1.908) 3.332 8.612 ( -1.843 -3.247 -1.756) 4.126 8.719 ( 0.400 1.049 6.363) 6.461 8.791 ( -1.295 -3.154 8.675) 9.321 8.842 ( 1.029 0.649 -2.495) 2.776 8.874 ( 3.565 -0.722 -1.527) 3.945 8.982 ( -0.526 4.429 5.917) 7.410 9.055 ( 0.416 -1.778 2.513) 3.106 9.200 ( 0.504 1.345 0.448) 1.505 9.257 ( -1.387 -3.570 -1.419) 4.084 9.340 ( 1.829 -0.976 -1.291) 2.442 9.355 ( 0.195 -1.440 0.201) 1.467 9.514 ( -1.911 1.005 -5.327) 5.748 9.566 ( -0.198 -4.083 -9.013) 9.897 9.807 ( -1.626 0.291 -5.425) 5.671 9.824 ( -1.555 -1.761 -5.838) 6.293 10.013 ( -1.866 5.267 8.731) 10.366 10.098 ( 4.618 5.582 -1.555) 7.410 10.120 ( -1.530 -4.271 6.847) 8.214 10.166 ( 2.493 -1.145 -4.110) 4.941 10.419 ( 1.923 6.882 -1.134) 7.235 10.446 ( -5.603 2.613 -4.904) 7.891 10.513 ( -1.018 4.548 5.057) 6.877 10.566 ( -1.774 -1.084 -0.345) 2.107 10.582 ( -1.526 1.218 1.370) 2.385 10.614 ( -2.642 1.115 0.601) 2.930 10.781 ( 0.913 -1.410 2.735) 3.210 10.863 ( -4.734 -5.293 5.339) 8.884 10.945 ( 2.985 2.802 1.836) 4.487 10.974 ( 2.963 -2.910 3.389) 5.360 11.158 ( 3.943 1.403 0.432) 4.207 11.187 ( 4.401 0.301 1.789) 4.760 11.219 ( -1.400 -3.031 2.162) 3.978 11.235 ( 0.093 -2.621 0.032) 2.622 11.412 ( 0.946 2.831 2.027) 3.608 11.455 ( 2.464 1.626 1.045) 3.132 11.497 ( -0.388 1.097 -2.989) 3.208 11.589 ( 5.024 -5.164 -6.874) 9.958 11.770 ( 1.590 2.052 -2.797) 3.816 11.870 ( -2.326 -5.977 -2.695) 6.956 12.075 ( -0.222 0.456 0.231) 0.557 12.132 ( 0.174 -4.658 -3.196) 5.652 12.293 ( 1.288 3.872 3.454) 5.346 12.374 ( -2.225 -1.561 3.864) 4.724 12.440 ( -2.405 -3.275 -5.102) 6.522 12.464 ( -0.781 -3.079 -1.612) 3.562 12.715 ( 4.178 -2.375 -0.679) 4.854 12.759 ( -0.191 -5.239 0.743) 5.294 12.836 ( 0.815 4.346 -3.212) 5.465 12.920 ( 0.052 -3.639 -5.244) 6.383 13.163 ( 6.000 4.625 7.388) 10.582 13.211 ( 9.466 -0.173 1.226) 9.547 13.287 ( 5.920 4.415 -1.349) 7.507 13.345 ( 6.730 -1.192 -6.193) 9.223 13.731 ( 7.507 7.233 -2.550) 10.732 13.818 ( -1.248 7.698 -2.801) 8.287 13.875 ( 5.935 -4.114 -1.675) 7.414 14.010 ( -6.447 -10.237 2.429) 12.339 14.172 ( 3.975 4.830 0.567) 6.281 14.269 ( 3.700 -5.033 -1.531) 6.431 14.424 ( 5.055 4.703 4.082) 8.021 14.524 ( 1.997 5.903 1.026) 6.316 14.548 ( 0.107 -7.688 -0.430) 7.701 14.621 ( -5.758 -3.150 6.061) 8.933 15.059 ( 0.487 1.164 -1.122) 1.688 15.074 ( -3.162 -0.098 -0.847) 3.275 15.242 ( -0.937 5.501 -0.305) 5.589 15.317 ( -2.537 -1.671 -0.563) 3.089 15.343 ( -0.086 2.509 1.953) 3.181 15.369 ( -2.504 -0.018 -0.097) 2.506 16.025 ( -1.418 6.030 2.334) 6.619 16.167 ( -3.829 -7.258 -4.171) 9.205 16.301 ( -2.195 1.505 -0.977) 2.835 16.371 ( -5.756 -4.736 -1.385) 7.581 16.584 ( -3.469 1.711 -0.498) 3.900 16.587 ( -4.590 1.562 -0.077) 4.849 16.788 ( -0.548 -1.598 1.471) 2.240 16.810 ( -0.339 -3.370 -0.488) 3.422 20.911 ( 2.990 1.140 -0.178) 3.205 20.937 ( 0.773 0.430 -0.102) 0.891 20.992 ( 3.686 -2.581 1.708) 4.813 21.040 ( 0.501 -5.319 0.813) 5.404 21.964 ( 1.094 3.843 7.033) 8.089 22.039 ( 1.117 -3.857 7.894) 8.857 22.197 ( -2.040 4.173 -7.515) 8.835 22.265 ( -0.416 -2.653 -6.024) 6.595 22.702 ( 3.056 10.164 1.076) 10.668 22.813 ( -2.626 11.015 -2.111) 11.519 22.890 ( 5.356 -6.905 2.559) 9.105 22.992 ( -0.744 -3.019 3.565) 4.730 23.236 ( 4.966 8.848 -4.637) 11.156 23.285 ( -8.087 2.312 -3.373) 9.062 23.501 ( 5.628 -2.469 6.516) 8.957 23.647 ( -3.809 -13.776 8.724) 16.745 23.834 ( 0.433 -0.214 -1.445) 1.524 23.850 ( -0.283 -1.152 -1.929) 2.264 24.026 ( -4.668 4.555 -6.971) 9.547 24.130 ( -3.247 -6.333 -7.257) 10.164 24.887 ( 7.337 7.507 2.346) 10.756 24.993 ( 7.497 -2.520 1.876) 8.129 25.204 ( -12.706 3.868 -3.635) 13.770 25.273 ( -15.852 -2.442 1.704) 16.129 26.889 ( 1.587 0.648 0.356) 1.751 26.902 ( 1.530 -0.617 -0.494) 1.722 26.988 ( 1.575 -0.595 0.892) 1.905 26.998 ( 2.635 -1.535 -0.831) 3.161 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -23.286 6.967 5.529) 24.926 2.546 ( -15.645 10.815 7.510) 20.448 2.614 ( -15.869 -3.407 -0.942) 16.258 2.743 ( -2.920 -2.553 2.816) 4.793 2.777 ( -5.066 -4.405 0.179) 6.716 2.859 ( -2.692 -8.507 -0.092) 8.923 2.958 ( 6.643 1.171 0.048) 6.745 2.984 ( 3.848 -1.611 -1.147) 4.326 3.064 ( 1.178 -2.560 -0.892) 2.955 3.138 ( -2.307 -6.414 0.728) 6.855 3.222 ( 11.752 4.119 -0.379) 12.459 3.296 ( 1.202 4.128 -1.700) 4.624 3.333 ( 2.798 -4.368 -1.034) 5.289 3.392 ( 0.847 -3.582 0.568) 3.725 3.444 ( 10.890 5.674 -2.703) 12.573 3.543 ( 7.090 -4.245 -9.749) 12.780 3.667 ( -4.062 -4.122 -3.683) 6.859 3.689 ( -3.693 -4.692 -6.924) 9.143 3.747 ( 0.256 6.165 -0.852) 6.229 3.820 ( 10.766 -1.734 5.440) 12.187 4.013 ( -5.573 3.516 11.188) 12.984 4.105 ( -3.150 -5.277 10.468) 12.139 4.178 ( -3.619 2.065 -5.002) 6.510 4.217 ( -2.441 -2.208 -4.920) 5.919 4.324 ( 2.324 2.591 3.062) 4.636 4.372 ( 2.706 -1.079 0.986) 3.076 4.631 ( -4.599 1.450 -0.742) 4.879 4.653 ( 0.959 -0.753 1.655) 2.056 4.770 ( -12.049 11.320 5.609) 17.458 4.860 ( -4.950 7.499 -3.477) 9.635 4.875 ( -9.501 6.077 -1.871) 11.433 4.928 ( 0.709 6.001 0.755) 6.090 5.094 ( -1.074 2.952 8.126) 8.712 5.182 ( -4.969 5.956 1.492) 7.899 5.251 ( -1.710 -0.106 0.009) 1.714 5.307 ( 2.435 -2.060 -0.633) 3.252 5.354 ( -3.075 -0.909 -2.184) 3.879 5.389 ( 2.457 1.302 4.786) 5.535 5.427 ( -4.603 5.033 -0.185) 6.823 5.522 ( -5.213 0.111 0.807) 5.276 5.542 ( 1.334 0.383 0.672) 1.542 5.602 ( 1.610 -5.030 -4.850) 7.170 5.627 ( -1.924 0.381 1.646) 2.560 5.719 ( -2.171 2.811 0.907) 3.666 5.755 ( -3.089 -8.100 -1.496) 8.797 5.811 ( 2.972 2.739 -2.683) 4.851 5.888 ( 0.649 -1.350 -2.685) 3.074 5.977 ( 1.332 -3.077 -3.256) 4.673 6.013 ( 7.048 -0.136 -3.207) 7.744 6.088 ( 10.770 -9.197 -7.525) 16.038 6.430 ( -8.614 0.887 0.330) 8.666 6.442 ( -4.532 0.626 1.871) 4.942 6.512 ( -2.317 4.686 -1.329) 5.394 6.551 ( -3.374 -0.252 -3.575) 4.922 6.690 ( 7.237 2.730 -0.971) 7.795 6.748 ( 12.299 -1.146 -0.731) 12.374 6.842 ( -1.022 2.557 -2.177) 3.510 6.862 ( 3.179 1.907 3.269) 4.943 6.877 ( -0.237 2.238 -0.941) 2.440 6.939 ( 5.735 -3.873 -3.837) 7.913 7.157 ( -4.101 3.338 6.961) 8.742 7.210 ( -5.151 -1.813 5.801) 7.967 7.305 ( -0.054 1.304 -2.186) 2.545 7.352 ( 3.937 -2.534 -2.780) 5.445 7.445 ( 4.019 4.022 1.603) 5.908 7.499 ( 7.942 5.466 0.277) 9.645 7.526 ( 0.604 -2.395 1.074) 2.693 7.655 ( 8.357 -7.758 -1.184) 11.464 7.877 ( 1.766 2.070 6.303) 6.865 7.916 ( -0.729 -1.263 -1.332) 1.975 8.030 ( -2.148 1.372 -1.927) 3.196 8.064 ( 2.402 -3.088 1.330) 4.133 8.327 ( 0.324 1.509 -1.401) 2.085 8.362 ( 4.359 -1.628 3.008) 5.541 8.532 ( 0.289 -1.924 4.594) 4.989 8.570 ( -0.959 -3.398 -1.380) 3.791 8.737 ( -3.505 1.016 4.491) 5.787 8.777 ( -1.972 -2.106 4.233) 5.123 8.895 ( 3.414 1.748 -2.721) 4.703 8.912 ( 2.812 -1.138 -4.665) 5.565 9.040 ( 1.251 3.687 4.972) 6.315 9.097 ( 2.167 -0.161 -0.364) 2.203 9.198 ( -0.939 -1.001 3.319) 3.592 9.232 ( -0.836 -2.238 -1.690) 2.926 9.316 ( -2.315 -0.434 1.375) 2.727 9.351 ( -2.984 -3.306 1.295) 4.638 9.428 ( -1.667 3.122 -3.687) 5.111 9.502 ( -1.994 -4.398 -4.163) 6.376 9.794 ( 3.135 0.180 -3.450) 4.665 9.819 ( 4.325 -2.249 -4.837) 6.868 10.054 ( -0.533 5.736 3.396) 6.687 10.132 ( 0.867 -2.271 -1.210) 2.715 10.148 ( -2.002 3.219 1.270) 3.998 10.195 ( 2.838 -0.526 -0.450) 2.921 10.347 ( -1.213 6.989 1.255) 7.204 10.406 ( 1.432 -1.034 -3.061) 3.534 10.532 ( 1.692 1.562 3.036) 3.811 10.565 ( -0.105 2.302 2.373) 3.307 10.583 ( 0.301 1.662 0.228) 1.704 10.606 ( 2.399 0.570 1.650) 2.967 10.780 ( -6.059 -1.532 5.054) 8.037 10.823 ( -0.029 -1.785 5.066) 5.371 10.971 ( -0.105 3.435 -2.647) 4.338 11.022 ( -0.312 -2.677 -0.685) 2.781 11.159 ( -2.824 1.981 0.784) 3.538 11.201 ( -3.195 -2.536 0.937) 4.185 11.249 ( 3.322 2.258 -0.531) 4.052 11.322 ( 7.024 -4.608 -4.033) 9.319 11.385 ( -4.007 -2.021 1.354) 4.687 11.427 ( -4.257 -3.760 5.824) 8.135 11.526 ( 2.442 5.311 -6.932) 9.068 11.588 ( -1.060 -0.846 -7.250) 7.376 11.773 ( -3.141 0.438 -2.014) 3.757 11.812 ( 1.679 -4.503 3.192) 5.769 12.078 ( 1.738 1.267 -0.663) 2.251 12.154 ( 3.540 -4.972 -5.348) 8.116 12.289 ( -2.816 1.964 4.066) 5.322 12.366 ( -1.925 -3.438 0.765) 4.014 12.408 ( 2.068 -0.393 0.972) 2.318 12.482 ( 2.254 -5.752 -2.145) 6.540 12.699 ( -4.769 1.097 -0.256) 4.900 12.767 ( 0.199 -4.734 0.655) 4.784 12.840 ( -4.142 -0.035 -3.006) 5.118 12.855 ( 0.488 -1.517 -0.044) 1.594 13.158 ( -8.431 4.017 3.804) 10.084 13.219 ( -6.763 -1.957 1.602) 7.221 13.350 ( -0.632 3.795 -4.775) 6.132 13.361 ( -1.986 3.426 -7.042) 8.079 13.689 ( -8.402 6.862 0.719) 10.872 13.824 ( -3.103 0.137 -2.665) 4.093 13.852 ( -2.654 2.786 0.389) 3.868 14.023 ( 6.112 -7.214 1.725) 9.611 14.159 ( -6.231 -0.305 6.048) 8.689 14.192 ( -6.065 -3.252 0.097) 6.883 14.468 ( -1.473 1.764 0.043) 2.298 14.492 ( -1.607 -1.679 -1.792) 2.935 14.639 ( 0.860 5.710 -4.141) 7.106 14.776 ( 9.569 -5.703 -3.374) 11.639 14.992 ( 2.121 1.077 1.763) 2.961 15.002 ( 1.747 -0.521 1.725) 2.510 15.196 ( -6.093 4.298 4.732) 8.831 15.250 ( -3.483 -0.910 4.737) 5.950 15.436 ( 8.355 2.748 -5.064) 10.149 15.447 ( 7.015 1.357 -5.267) 8.877 16.037 ( -1.818 1.858 5.075) 5.701 16.092 ( -0.209 -2.863 -0.748) 2.966 16.295 ( -0.389 -1.267 -0.499) 1.417 16.332 ( 4.746 -4.609 2.024) 6.918 16.580 ( 4.034 2.368 -0.100) 4.678 16.596 ( 4.914 0.846 -0.620) 5.025 16.784 ( -0.214 -0.169 0.873) 0.915 16.827 ( 2.196 -4.128 -1.286) 4.849 20.913 ( -2.635 0.876 -0.320) 2.796 20.937 ( -0.957 -0.297 0.063) 1.004 21.005 ( -2.560 -1.326 0.265) 2.895 21.064 ( 1.407 -6.196 -1.215) 6.469 22.014 ( -2.010 3.010 6.957) 7.842 22.071 ( -3.913 -2.506 6.961) 8.370 22.126 ( 0.204 5.233 -4.730) 7.057 22.234 ( 2.714 -5.434 -5.938) 8.494 22.726 ( -3.545 10.899 -1.103) 11.514 22.787 ( 3.490 10.904 0.237) 11.451 22.952 ( -5.137 -11.818 -2.824) 13.192 23.013 ( 4.105 -11.444 1.817) 12.293 23.113 ( -6.516 13.276 5.565) 15.802 23.269 ( -0.464 3.033 -0.768) 3.163 23.582 ( 2.447 6.360 0.794) 6.861 23.770 ( 9.243 -6.617 -5.334) 12.557 23.838 ( -1.087 1.688 -2.355) 3.095 23.859 ( 3.496 0.247 0.858) 3.608 23.971 ( -0.061 -2.136 1.583) 2.659 24.035 ( 3.595 -9.564 -4.650) 11.226 24.854 ( -11.646 6.970 4.914) 14.435 24.962 ( -12.536 -4.057 4.911) 14.062 25.182 ( 14.668 9.230 -1.443) 17.391 25.323 ( 16.264 -5.208 -2.791) 17.304 26.891 ( -1.708 0.247 0.593) 1.824 26.896 ( -1.874 -0.167 -0.331) 1.911 26.986 ( -2.176 0.019 0.427) 2.218 27.009 ( -0.901 -2.299 -1.199) 2.745 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -24.833 14.060 6.396) 29.245 2.210 ( -18.455 9.901 7.189) 22.143 2.326 ( -15.753 3.250 1.814) 16.187 2.557 ( -12.193 -8.914 1.833) 15.215 2.678 ( -4.192 -3.247 0.529) 5.329 2.816 ( -3.745 -13.902 1.653) 14.493 2.922 ( -6.794 -1.217 -2.892) 7.484 2.987 ( -4.068 -4.200 -1.598) 6.062 3.056 ( -3.599 5.916 -2.471) 7.353 3.159 ( -4.619 -4.031 -3.161) 6.897 3.231 ( 2.187 1.746 -2.718) 3.901 3.323 ( -0.042 -5.116 -4.459) 6.787 3.403 ( 4.167 4.365 -0.439) 6.051 3.439 ( -3.379 4.423 -6.359) 8.451 3.464 ( 6.967 -2.213 1.697) 7.504 3.585 ( 2.385 -7.189 -2.177) 7.881 3.637 ( 7.946 4.068 -5.129) 10.295 3.728 ( 10.874 -3.113 -6.276) 12.935 3.863 ( 4.626 6.714 0.327) 8.160 3.957 ( -1.472 1.537 7.386) 7.687 4.036 ( -3.539 4.041 4.341) 6.906 4.058 ( -5.893 3.365 3.271) 7.533 4.101 ( -5.138 -1.719 4.972) 7.353 4.185 ( 2.316 -2.379 1.776) 3.765 4.282 ( -8.061 4.926 8.062) 12.419 4.444 ( 1.383 -0.636 8.044) 8.187 4.510 ( -7.903 3.924 3.913) 9.652 4.598 ( -6.273 8.113 -1.374) 10.347 4.612 ( -2.347 -2.754 -2.579) 4.444 4.718 ( -1.021 -2.189 -2.747) 3.658 4.798 ( -1.127 3.859 0.209) 4.026 4.906 ( -4.694 1.264 2.705) 5.563 5.009 ( -10.259 -7.240 1.912) 12.701 5.059 ( -7.463 2.982 -0.731) 8.070 5.182 ( -5.998 3.525 2.927) 7.547 5.249 ( -9.513 -1.598 0.212) 9.649 5.329 ( 0.536 1.857 0.176) 1.941 5.388 ( 1.726 2.297 -4.605) 5.428 5.409 ( -0.752 4.552 -4.169) 6.218 5.435 ( 2.798 -1.363 -0.831) 3.222 5.494 ( -1.674 -0.476 -2.826) 3.319 5.594 ( -1.305 -3.934 0.282) 4.154 5.647 ( -0.691 1.683 0.406) 1.864 5.682 ( -4.392 7.142 -2.905) 8.874 5.740 ( 2.750 -8.791 0.748) 9.242 5.828 ( -5.929 -0.394 -4.929) 7.720 5.891 ( 5.563 2.782 -0.504) 6.240 5.966 ( -0.020 3.207 4.362) 5.414 6.100 ( 0.707 -1.730 -0.372) 1.905 6.177 ( -4.674 -6.794 -4.935) 9.610 6.274 ( -3.530 0.455 -3.309) 4.860 6.316 ( 2.662 -4.898 -5.790) 8.038 6.521 ( 6.262 1.826 -3.556) 7.429 6.583 ( 7.511 -4.059 -1.178) 8.619 6.748 ( -1.375 3.830 -3.638) 5.458 6.803 ( -0.995 2.578 -2.274) 3.578 6.868 ( -1.736 -1.126 -0.809) 2.222 6.872 ( 1.819 6.956 1.919) 7.442 6.955 ( 4.812 -3.413 -6.037) 8.441 7.087 ( 8.158 -9.594 3.326) 13.026 7.204 ( 3.304 4.068 5.390) 7.518 7.263 ( 5.779 0.260 9.567) 11.180 7.335 ( 2.244 0.384 0.095) 2.279 7.392 ( 5.274 -3.413 -0.831) 6.337 7.589 ( 4.753 3.587 4.453) 7.435 7.615 ( 8.321 1.456 4.084) 9.383 7.744 ( 9.758 2.095 -1.663) 10.118 7.800 ( 10.256 -4.117 -1.742) 11.188 7.953 ( 4.133 2.528 0.637) 4.887 7.961 ( 0.098 3.836 -3.773) 5.381 8.021 ( 6.929 2.647 6.551) 9.896 8.096 ( 1.233 -4.855 -0.433) 5.028 8.336 ( 0.381 3.818 -2.736) 4.712 8.464 ( 1.088 -6.819 3.119) 7.577 8.509 ( -2.720 2.654 1.229) 3.994 8.581 ( -0.679 -3.011 3.324) 4.536 8.739 ( 2.333 3.762 4.921) 6.619 8.773 ( -2.069 1.076 4.501) 5.070 8.898 ( -0.117 -2.152 -6.175) 6.540 8.922 ( 1.706 -2.777 -5.243) 6.174 9.047 ( -1.615 4.672 -1.115) 5.067 9.079 ( 0.183 2.044 -8.567) 8.809 9.190 ( -2.751 -1.132 -2.392) 3.817 9.224 ( -0.429 -3.808 1.286) 4.042 9.273 ( -2.108 -0.892 3.907) 4.528 9.315 ( -0.201 -3.472 6.435) 7.314 9.465 ( 2.085 -0.055 2.365) 3.153 9.485 ( 6.146 -1.559 0.766) 6.387 9.852 ( 2.018 3.069 2.210) 4.287 9.912 ( 5.606 -2.190 0.571) 6.046 10.010 ( -1.449 1.161 -5.555) 5.857 10.046 ( -6.219 -2.414 -1.872) 6.929 10.188 ( 6.753 2.854 -0.771) 7.371 10.256 ( 3.548 -2.467 -3.416) 5.509 10.345 ( -1.675 10.589 2.771) 11.073 10.508 ( 4.031 -0.379 2.057) 4.541 10.545 ( -1.241 1.317 -0.725) 1.949 10.581 ( -2.628 3.721 1.467) 4.786 10.602 ( 0.645 -1.077 2.563) 2.854 10.654 ( 2.497 -5.184 2.680) 6.348 10.757 ( 2.137 6.135 1.060) 6.582 10.827 ( -2.816 4.024 2.026) 5.313 10.954 ( 0.718 -4.529 -1.103) 4.716 10.967 ( -1.963 1.693 1.534) 3.012 11.119 ( -2.997 0.723 -2.104) 3.732 11.155 ( -6.318 -5.858 -0.557) 8.634 11.204 ( 0.673 1.178 -0.464) 1.434 11.318 ( -1.422 -4.696 -9.069) 10.311 11.385 ( 1.392 -2.292 0.036) 2.682 11.421 ( -1.356 -0.693 4.143) 4.414 11.465 ( -3.096 1.214 -6.410) 7.222 11.513 ( -1.565 -2.357 0.051) 2.830 11.739 ( 0.316 5.686 -3.151) 6.508 11.860 ( 2.470 -5.128 -1.124) 5.802 12.113 ( -0.248 0.560 -4.433) 4.475 12.154 ( -0.630 -3.741 -3.038) 4.860 12.243 ( -3.615 4.398 3.690) 6.785 12.359 ( -4.081 -3.735 5.569) 7.850 12.428 ( -2.774 -0.792 -0.232) 2.894 12.463 ( -3.405 -2.861 1.608) 4.730 12.603 ( -4.018 4.850 -0.782) 6.347 12.734 ( -2.933 -7.279 1.056) 7.919 12.770 ( -4.363 -1.283 1.651) 4.838 12.786 ( -5.018 -2.445 3.074) 6.372 12.970 ( -12.568 1.457 -3.204) 13.052 13.010 ( -12.092 -2.720 -6.058) 13.795 13.206 ( -5.658 2.300 -4.957) 7.866 13.228 ( -5.691 -0.164 -3.222) 6.542 13.544 ( -5.849 5.620 2.648) 8.533 13.671 ( -9.576 -6.617 1.935) 11.800 13.842 ( -1.155 12.803 -0.324) 12.859 14.034 ( -6.023 -3.605 6.116) 9.310 14.081 ( -1.616 2.280 -2.466) 3.728 14.187 ( 2.797 -7.009 1.776) 7.752 14.403 ( -2.054 3.025 -2.892) 4.662 14.438 ( -2.207 0.247 2.948) 3.690 14.675 ( 1.986 1.829 -5.123) 5.791 14.761 ( -1.472 -5.207 -5.114) 7.446 14.915 ( -8.820 2.247 0.478) 9.114 14.973 ( -7.682 -3.380 2.024) 8.633 15.315 ( 9.401 3.374 2.989) 10.426 15.359 ( 6.575 -0.971 1.265) 6.766 15.498 ( 4.251 5.710 -6.473) 9.622 15.559 ( 7.528 -0.001 -4.725) 8.888 16.037 ( 0.995 4.086 4.935) 6.484 16.152 ( 2.428 -7.308 7.834) 10.985 16.369 ( 6.537 5.037 2.260) 8.557 16.487 ( 8.410 -6.438 2.499) 10.882 16.702 ( 6.501 2.210 0.673) 6.899 16.738 ( 8.686 -0.682 -0.252) 8.716 16.812 ( 3.735 1.143 -1.343) 4.130 16.875 ( 4.088 -4.827 -1.626) 6.531 20.841 ( -3.835 0.195 -0.881) 3.940 20.873 ( -4.886 -3.314 0.156) 5.906 20.947 ( -2.737 3.066 -1.554) 4.394 21.040 ( -2.591 -6.390 -2.254) 7.254 21.971 ( -3.313 1.659 0.736) 3.777 21.995 ( -5.628 -0.936 3.008) 6.450 22.152 ( 1.101 6.007 2.766) 6.704 22.266 ( 1.712 -5.561 -1.863) 6.110 22.657 ( -2.057 8.874 -0.232) 9.112 22.817 ( -4.305 -5.196 -2.589) 7.228 22.857 ( 2.839 10.773 0.539) 11.154 23.045 ( -0.416 -0.264 -1.741) 1.809 23.087 ( -1.316 -1.251 5.396) 5.693 23.205 ( -6.419 -6.419 4.094) 9.958 23.671 ( 8.134 12.055 -11.350) 18.447 23.798 ( 0.122 -0.032 0.002) 0.126 23.850 ( 1.786 -1.334 -0.053) 2.230 23.884 ( 2.530 -4.806 -6.587) 8.538 24.087 ( 8.865 3.120 4.416) 10.384 24.212 ( 9.043 -9.618 -2.576) 13.450 24.728 ( -3.282 3.765 6.124) 7.902 24.803 ( -5.572 -3.619 6.239) 9.115 25.508 ( 17.160 10.170 1.637) 20.014 25.651 ( 17.696 -4.518 -1.531) 18.328 26.834 ( -3.940 0.206 -0.079) 3.946 26.836 ( -4.020 -0.051 0.656) 4.074 26.911 ( -5.375 0.329 0.021) 5.385 26.946 ( -4.573 -3.223 -1.824) 5.885 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -15.204 18.153 9.535) 25.527 1.982 ( -8.175 2.198 3.580) 9.192 2.030 ( -15.687 11.993 5.839) 20.592 2.366 ( -9.077 -9.781 -0.366) 13.349 2.568 ( -15.071 -3.148 -3.459) 15.780 2.610 ( -2.663 -10.192 -3.029) 10.961 2.793 ( 0.231 -3.849 -2.611) 4.657 2.900 ( -0.058 -3.284 0.734) 3.366 3.049 ( 2.314 2.269 0.476) 3.276 3.107 ( -0.740 -4.545 -1.081) 4.730 3.271 ( -1.283 8.117 4.047) 9.160 3.297 ( -2.781 15.239 -2.357) 15.669 3.383 ( 4.603 -1.665 -0.940) 4.984 3.498 ( 3.494 3.469 -0.375) 4.938 3.545 ( 0.432 -5.292 -0.536) 5.337 3.615 ( 1.395 -4.630 0.226) 4.841 3.702 ( -1.082 7.248 3.707) 8.212 3.828 ( -11.436 -1.426 1.993) 11.696 3.863 ( -1.023 3.119 4.057) 5.219 3.894 ( -7.493 -2.977 3.790) 8.909 3.937 ( 3.465 8.649 -4.446) 10.323 4.017 ( 1.840 5.855 3.512) 7.071 4.101 ( 4.116 -4.930 -2.645) 6.946 4.272 ( 0.604 3.071 2.720) 4.146 4.296 ( 2.524 2.578 0.671) 3.670 4.332 ( -4.938 -3.942 5.603) 8.445 4.474 ( 0.216 -2.119 4.461) 4.943 4.541 ( -1.485 -7.731 0.111) 7.873 4.633 ( 2.553 3.203 0.800) 4.173 4.720 ( -0.749 -4.263 2.446) 4.972 4.793 ( -0.697 4.940 -1.638) 5.251 4.825 ( -3.486 -1.272 -2.250) 4.340 4.879 ( -0.258 -0.015 -3.190) 3.201 4.925 ( -4.043 -3.091 -1.663) 5.354 5.071 ( -8.033 -0.192 2.464) 8.405 5.118 ( -3.755 -4.543 3.636) 6.925 5.222 ( -2.157 12.711 -12.364) 17.863 5.309 ( -4.081 6.084 -0.317) 7.333 5.414 ( -3.352 4.209 4.875) 7.261 5.450 ( -6.196 -0.278 0.988) 6.281 5.463 ( -5.970 2.560 5.147) 8.287 5.512 ( 1.255 -4.554 -11.201) 12.156 5.592 ( -0.384 -3.521 -2.355) 4.253 5.629 ( -6.848 0.209 -1.080) 6.936 5.645 ( -2.831 4.224 -0.539) 5.114 5.780 ( 0.266 -10.227 -2.747) 10.593 5.889 ( -3.519 4.227 -3.264) 6.396 5.935 ( -4.175 0.850 4.313) 6.062 6.126 ( 4.710 2.547 -1.478) 5.554 6.219 ( 9.875 -2.697 3.909) 10.958 6.268 ( 1.998 -1.958 -2.712) 3.896 6.402 ( 6.046 -10.963 -7.948) 14.829 6.593 ( 1.233 -0.028 -4.643) 4.804 6.690 ( 4.930 -5.482 -4.722) 8.756 6.727 ( -4.763 -0.669 -4.889) 6.858 6.768 ( 3.919 -5.393 2.584) 7.150 6.818 ( 1.732 5.056 -1.708) 5.610 6.931 ( 1.951 -3.572 0.548) 4.107 6.989 ( 3.497 6.203 -4.784) 8.579 7.200 ( 2.161 -10.729 -3.598) 11.521 7.346 ( 6.412 3.621 5.252) 9.045 7.407 ( 3.218 -0.800 4.382) 5.495 7.429 ( 6.026 2.692 6.685) 9.394 7.505 ( 3.224 -1.286 3.087) 4.645 7.683 ( 0.800 5.562 3.767) 6.765 7.755 ( 2.852 0.301 3.195) 4.294 7.860 ( 3.910 5.016 1.285) 6.488 7.916 ( 1.845 2.253 -2.561) 3.878 8.010 ( 7.398 -2.078 -0.043) 7.685 8.087 ( 5.629 -5.216 -0.162) 7.676 8.192 ( 7.171 4.670 2.100) 8.811 8.206 ( 4.901 6.989 5.825) 10.334 8.288 ( -2.622 3.071 -2.156) 4.578 8.407 ( -0.872 -2.297 7.518) 7.909 8.518 ( -6.105 -3.499 2.417) 7.440 8.553 ( -0.597 -4.200 2.345) 4.847 8.685 ( -4.001 5.464 -0.837) 6.823 8.797 ( -3.764 -4.351 -6.119) 8.399 8.880 ( 2.841 4.052 0.752) 5.006 8.942 ( 0.338 -2.318 -2.186) 3.204 9.007 ( 0.726 2.198 -1.776) 2.918 9.043 ( -6.058 -1.979 -1.009) 6.453 9.087 ( 1.902 5.106 -4.345) 6.968 9.204 ( 1.178 -6.104 -0.976) 6.293 9.368 ( 4.882 -1.862 3.378) 6.222 9.380 ( 3.886 -2.655 1.271) 4.876 9.589 ( 8.893 4.557 3.459) 10.574 9.667 ( 9.102 -2.349 3.134) 9.909 9.872 ( 0.241 1.312 3.259) 3.521 9.896 ( -5.266 -2.164 0.663) 5.732 9.999 ( 1.158 1.686 -2.654) 3.350 10.042 ( 4.647 -1.527 0.410) 4.908 10.218 ( -4.979 6.719 -2.524) 8.735 10.295 ( -6.305 2.518 0.603) 6.816 10.361 ( 7.258 -0.087 -0.632) 7.286 10.419 ( -4.471 -1.627 -2.776) 5.509 10.507 ( 0.387 2.815 -3.237) 4.307 10.617 ( 0.224 -3.292 -2.041) 3.880 10.648 ( 1.615 1.247 2.816) 3.477 10.667 ( 0.776 0.928 -3.559) 3.759 10.784 ( -3.159 2.604 -5.193) 6.613 10.811 ( 0.678 4.116 2.186) 4.710 10.854 ( -5.234 -1.329 0.637) 5.437 10.986 ( -3.673 -7.139 0.119) 8.030 11.035 ( -1.251 0.269 -1.521) 1.988 11.063 ( -1.617 -2.518 1.303) 3.264 11.274 ( 6.948 3.209 1.110) 7.733 11.289 ( -4.994 -0.671 -8.900) 10.228 11.320 ( -2.417 -2.045 3.492) 4.713 11.391 ( 2.261 -4.552 3.164) 5.987 11.461 ( 3.355 5.006 -5.188) 7.952 11.531 ( 3.458 -2.329 -2.066) 4.653 11.727 ( -0.867 2.561 0.948) 2.865 11.838 ( -6.574 -7.432 -5.421) 11.307 11.976 ( -7.340 3.175 -1.707) 8.177 12.057 ( -8.563 -5.499 -0.342) 10.183 12.165 ( -6.741 4.597 0.625) 8.183 12.228 ( -6.277 -0.771 4.427) 7.720 12.333 ( -5.361 0.272 1.435) 5.557 12.394 ( -5.009 -4.045 1.997) 6.741 12.529 ( -7.473 2.088 -0.294) 7.765 12.563 ( -9.675 -0.879 1.886) 9.896 12.699 ( -2.538 4.680 -3.115) 6.168 12.755 ( 1.002 2.444 3.077) 4.055 12.802 ( 1.114 -6.465 -2.263) 6.940 12.878 ( 0.908 -8.294 -0.076) 8.344 13.076 ( -4.933 1.196 -7.119) 8.743 13.105 ( -5.426 -1.867 -5.186) 7.734 13.507 ( -1.631 4.828 3.511) 6.188 13.585 ( 1.050 -2.510 5.931) 6.525 13.790 ( -4.100 8.382 -0.381) 9.339 13.934 ( -4.730 -6.047 0.076) 7.678 14.110 ( 3.165 4.009 3.184) 6.019 14.233 ( 1.384 -6.586 1.976) 7.014 14.372 ( -0.373 5.783 -0.918) 5.867 14.452 ( 1.095 -0.031 2.575) 2.798 14.580 ( -6.754 6.770 -1.320) 9.653 14.662 ( -6.294 -0.296 -3.441) 7.179 14.803 ( -3.201 -0.261 -0.576) 3.263 14.878 ( -1.679 -7.066 -0.997) 7.331 15.373 ( 0.419 4.170 -4.024) 5.810 15.436 ( 1.267 -1.847 -0.739) 2.358 15.564 ( 4.036 5.949 -2.433) 7.590 15.663 ( 4.056 -3.136 -2.726) 5.807 16.148 ( 4.270 6.617 8.633) 11.685 16.261 ( 3.402 -3.646 6.021) 7.818 16.518 ( 5.112 3.095 4.087) 7.240 16.633 ( 4.603 -7.200 0.074) 8.546 16.822 ( 4.772 0.902 3.033) 5.726 16.859 ( 3.558 -2.949 0.094) 4.622 16.927 ( 7.636 1.977 -2.331) 8.225 16.971 ( 6.035 -2.699 -2.607) 7.107 20.767 ( -3.005 0.013 -0.645) 3.073 20.785 ( -3.235 -1.677 -0.420) 3.668 20.884 ( -2.309 2.149 -1.208) 3.377 20.953 ( -4.148 -4.373 -2.183) 6.411 21.914 ( -3.782 1.140 2.778) 4.829 21.924 ( -2.319 0.226 0.778) 2.457 22.172 ( -0.867 4.928 3.354) 6.023 22.261 ( -0.070 -3.860 -3.192) 5.009 22.663 ( 1.756 7.225 2.681) 7.904 22.772 ( -0.099 -3.147 0.677) 3.220 22.899 ( 1.210 10.957 -0.658) 11.044 23.017 ( -1.016 1.909 -2.130) 3.036 23.079 ( -2.848 -1.329 1.396) 3.439 23.116 ( -3.071 -2.800 2.390) 4.794 23.730 ( 3.635 0.611 -3.463) 5.057 23.804 ( 0.962 -2.781 -1.388) 3.254 23.904 ( 3.057 -0.192 0.653) 3.132 23.938 ( 4.150 -3.151 -0.506) 5.235 24.195 ( 0.808 0.880 -5.102) 5.241 24.242 ( -0.590 -4.287 -10.059) 10.950 24.815 ( 6.227 1.694 7.114) 9.605 24.865 ( 5.331 -3.833 6.040) 8.922 25.836 ( 13.099 8.561 4.305) 16.230 25.958 ( 13.357 -3.633 -1.427) 13.916 26.758 ( -3.376 0.112 0.126) 3.381 26.759 ( -3.571 0.110 0.271) 3.583 26.796 ( -5.466 0.040 -0.239) 5.471 26.819 ( -6.510 -2.431 -1.382) 7.085 =================== 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 3/31500 10.0 6779.827 5799.353 6984.801 0.000 594.728 0.000 3/31500 20.0 494.471 411.256 336.158 0.000 29.340 0.000 3/31500 30.0 139.319 103.091 82.598 0.000 6.087 0.000 3/31500 40.0 62.986 45.056 36.118 0.000 2.413 0.000 3/31500 50.0 36.616 25.881 20.836 0.000 1.316 0.000 3/31500 60.0 24.624 17.308 14.004 0.000 0.851 0.000 3/31500 70.0 18.137 12.703 10.329 0.000 0.609 0.000 3/31500 80.0 14.195 9.914 8.100 0.000 0.465 0.000 3/31500 90.0 11.595 8.078 6.630 0.000 0.373 0.000 3/31500 100.0 9.773 6.794 5.599 0.000 0.309 0.000 3/31500 110.0 8.436 5.853 4.842 0.000 0.264 0.000 3/31500 120.0 7.419 5.138 4.265 0.000 0.229 0.000 3/31500 130.0 6.622 4.578 3.813 0.000 0.203 0.000 3/31500 140.0 5.982 4.129 3.449 0.000 0.182 0.000 3/31500 150.0 5.458 3.762 3.151 0.000 0.165 0.000 3/31500 160.0 5.021 3.457 2.902 0.000 0.151 0.000 3/31500 170.0 4.651 3.199 2.692 0.000 0.139 0.000 3/31500 180.0 4.335 2.978 2.511 0.000 0.129 0.000 3/31500 190.0 4.061 2.787 2.354 0.000 0.120 0.000 3/31500 200.0 3.821 2.620 2.217 0.000 0.113 0.000 3/31500 210.0 3.609 2.473 2.096 0.000 0.106 0.000 3/31500 220.0 3.421 2.343 1.988 0.000 0.101 0.000 3/31500 230.0 3.253 2.226 1.892 0.000 0.095 0.000 3/31500 240.0 3.101 2.121 1.805 0.000 0.091 0.000 3/31500 250.0 2.964 2.026 1.726 0.000 0.086 0.000 3/31500 260.0 2.839 1.940 1.654 0.000 0.083 0.000 3/31500 270.0 2.725 1.861 1.588 0.000 0.079 0.000 3/31500 280.0 2.620 1.788 1.528 0.000 0.076 0.000 3/31500 290.0 2.523 1.722 1.472 0.000 0.073 0.000 3/31500 300.0 2.434 1.660 1.420 0.000 0.070 0.000 3/31500 310.0 2.351 1.603 1.372 0.000 0.068 0.000 3/31500 320.0 2.273 1.550 1.328 0.000 0.065 0.000 3/31500 330.0 2.201 1.500 1.286 0.000 0.063 0.000 3/31500 340.0 2.134 1.454 1.247 0.000 0.061 0.000 3/31500 350.0 2.070 1.410 1.210 0.000 0.059 0.000 3/31500 360.0 2.011 1.369 1.176 0.000 0.057 0.000 3/31500 370.0 1.955 1.331 1.143 0.000 0.056 0.000 3/31500 380.0 1.902 1.295 1.113 0.000 0.054 0.000 3/31500 390.0 1.852 1.260 1.084 0.000 0.053 0.000 3/31500 400.0 1.805 1.228 1.056 0.000 0.051 0.000 3/31500 410.0 1.760 1.197 1.030 0.000 0.050 0.000 3/31500 420.0 1.717 1.168 1.005 0.000 0.049 0.000 3/31500 430.0 1.676 1.140 0.981 0.000 0.047 0.000 3/31500 440.0 1.638 1.113 0.959 0.000 0.046 0.000 3/31500 450.0 1.601 1.088 0.938 0.000 0.045 0.000 3/31500 460.0 1.566 1.064 0.917 0.000 0.044 0.000 3/31500 470.0 1.532 1.041 0.897 0.000 0.043 0.000 3/31500 480.0 1.500 1.019 0.879 0.000 0.042 0.000 3/31500 490.0 1.469 0.998 0.861 0.000 0.041 0.000 3/31500 500.0 1.439 0.978 0.843 0.000 0.040 0.000 3/31500 510.0 1.411 0.958 0.827 0.000 0.040 0.000 3/31500 520.0 1.384 0.940 0.811 0.000 0.039 0.000 3/31500 530.0 1.357 0.922 0.796 0.000 0.038 0.000 3/31500 540.0 1.332 0.905 0.781 0.000 0.037 0.000 3/31500 550.0 1.308 0.888 0.767 0.000 0.037 0.000 3/31500 560.0 1.284 0.872 0.753 0.000 0.036 0.000 3/31500 570.0 1.262 0.857 0.740 0.000 0.035 0.000 3/31500 580.0 1.240 0.842 0.727 0.000 0.035 0.000 3/31500 590.0 1.219 0.827 0.715 0.000 0.034 0.000 3/31500 600.0 1.199 0.813 0.703 0.000 0.033 0.000 3/31500 610.0 1.179 0.800 0.691 0.000 0.033 0.000 3/31500 620.0 1.160 0.787 0.680 0.000 0.032 0.000 3/31500 630.0 1.141 0.774 0.669 0.000 0.032 0.000 3/31500 640.0 1.124 0.762 0.659 0.000 0.031 0.000 3/31500 650.0 1.106 0.751 0.649 0.000 0.031 0.000 3/31500 660.0 1.090 0.739 0.639 0.000 0.030 0.000 3/31500 670.0 1.073 0.728 0.630 0.000 0.030 0.000 3/31500 680.0 1.058 0.717 0.620 0.000 0.029 0.000 3/31500 690.0 1.042 0.707 0.611 0.000 0.029 0.000 3/31500 700.0 1.027 0.697 0.603 0.000 0.028 0.000 3/31500 710.0 1.013 0.687 0.594 0.000 0.028 0.000 3/31500 720.0 0.999 0.677 0.586 0.000 0.028 0.000 3/31500 730.0 0.985 0.668 0.578 0.000 0.027 0.000 3/31500 740.0 0.972 0.659 0.570 0.000 0.027 0.000 3/31500 750.0 0.959 0.650 0.563 0.000 0.027 0.000 3/31500 760.0 0.946 0.642 0.555 0.000 0.026 0.000 3/31500 770.0 0.934 0.633 0.548 0.000 0.026 0.000 3/31500 780.0 0.922 0.625 0.541 0.000 0.025 0.000 3/31500 790.0 0.910 0.617 0.534 0.000 0.025 0.000 3/31500 800.0 0.899 0.610 0.528 0.000 0.025 0.000 3/31500 810.0 0.888 0.602 0.521 0.000 0.024 0.000 3/31500 820.0 0.877 0.595 0.515 0.000 0.024 0.000 3/31500 830.0 0.867 0.587 0.508 0.000 0.024 0.000 3/31500 840.0 0.856 0.580 0.502 0.000 0.024 0.000 3/31500 850.0 0.846 0.574 0.497 0.000 0.023 0.000 3/31500 860.0 0.836 0.567 0.491 0.000 0.023 0.000 3/31500 870.0 0.827 0.560 0.485 0.000 0.023 0.000 3/31500 880.0 0.818 0.554 0.480 0.000 0.023 0.000 3/31500 890.0 0.808 0.548 0.474 0.000 0.022 0.000 3/31500 900.0 0.799 0.542 0.469 0.000 0.022 0.000 3/31500 910.0 0.791 0.536 0.464 0.000 0.022 0.000 3/31500 920.0 0.782 0.530 0.459 0.000 0.022 0.000 3/31500 930.0 0.774 0.524 0.454 0.000 0.021 0.000 3/31500 940.0 0.765 0.519 0.449 0.000 0.021 0.000 3/31500 950.0 0.757 0.513 0.444 0.000 0.021 0.000 3/31500 960.0 0.750 0.508 0.440 0.000 0.021 0.000 3/31500 970.0 0.742 0.503 0.435 0.000 0.020 0.000 3/31500 980.0 0.734 0.498 0.431 0.000 0.020 0.000 3/31500 990.0 0.727 0.492 0.427 0.000 0.020 0.000 3/31500 1000.0 0.720 0.488 0.422 0.000 0.020 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:13:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|