----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:06:19]------------------------- 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: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.368810400570076 -3.346008114999999 0.000000000000000 b 7.368810400570076 3.346008114999999 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): *1 Tm 0.72531731983822 0.20652410320185 0.03752575411745 168.934 *2 Tm 0.26868085048613 0.00217013151464 0.33600674658080 168.934 3 Tm 0.99782986848536 0.73131914951387 0.16399325341920 168.934 4 Tm 0.79347589679815 0.27468268016178 0.46247424588255 168.934 5 Tm 0.20652410320185 0.72531731983822 0.53752575411745 168.934 6 Tm 0.00217013151464 0.26868085048613 0.83600674658080 168.934 7 Tm 0.73131914951387 0.99782986848536 0.66399325341920 168.934 8 Tm 0.27468268016178 0.79347589679815 0.96247424588255 168.934 *9 Ge 0.40994323192938 0.21755855089261 0.19024057018295 72.640 10 Ge 0.21755855089260 0.40994323192938 0.69024057018295 72.640 11 Ge 0.78244144910739 0.59005676807062 0.30975942981705 72.640 12 Ge 0.59005676807062 0.78244144910740 0.80975942981705 72.640 *13 O 0.08199826655149 0.88260426415667 0.10104344442194 15.999 *14 O 0.22063939267947 0.36796502591522 0.04719666073744 15.999 *15 O 0.91806681327288 0.31156920678372 0.32103107329684 15.999 16 O 0.68843079321628 0.08193318672712 0.17896892670317 15.999 17 O 0.63203497408478 0.77936060732053 0.45280333926256 15.999 18 O 0.11739573584333 0.91800173344851 0.39895655557806 15.999 *19 O 0.35039526508867 0.03697868758800 0.17454579014922 15.999 *20 O 0.41961935276368 0.41681074543993 0.36681306086171 15.999 21 O 0.58318925456007 0.58038064723632 0.13318693913829 15.999 22 O 0.96302131241200 0.64960473491133 0.32545420985078 15.999 23 O 0.03697868758800 0.35039526508867 0.67454579014922 15.999 24 O 0.41681074543993 0.41961935276368 0.86681306086171 15.999 25 O 0.58038064723632 0.58318925456007 0.63318693913829 15.999 26 O 0.64960473491133 0.96302131241200 0.82545420985078 15.999 27 O 0.88260426415667 0.08199826655149 0.60104344442194 15.999 28 O 0.36796502591522 0.22063939267947 0.54719666073744 15.999 29 O 0.31156920678372 0.91806681327288 0.82103107329684 15.999 30 O 0.08193318672712 0.68843079321628 0.67896892670316 15.999 31 O 0.77936060732053 0.63203497408478 0.95280333926256 15.999 32 O 0.91800173344851 0.11739573584333 0.89895655557806 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.737620801140151 0.000000000000000 0.000000000000000 b 0.000000000000000 6.692016229999998 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): *1 Tm 0.96592071152004 0.24060339168181 0.03752575411745 168.934 > 1 *2 Tm 0.13542549100039 0.86674464051425 0.33600674658080 168.934 > 2 3 Tm 0.86457450899961 0.86674464051425 0.16399325341920 168.934 > 3 4 Tm 0.03407928847996 0.24060339168181 0.46247424588255 168.934 > 4 5 Tm 0.96592071152004 0.75939660831819 0.53752575411745 168.934 > 5 6 Tm 0.13542549100039 0.13325535948575 0.83600674658080 168.934 > 6 7 Tm 0.86457450899961 0.13325535948575 0.66399325341920 168.934 > 7 8 Tm 0.03407928847996 0.75939660831819 0.96247424588255 168.934 > 8 9 Tm 0.46592071152004 0.74060339168181 0.03752575411745 168.934 > 1 10 Tm 0.63542549100039 0.36674464051425 0.33600674658080 168.934 > 2 11 Tm 0.36457450899962 0.36674464051425 0.16399325341920 168.934 > 3 12 Tm 0.53407928847996 0.74060339168181 0.46247424588255 168.934 > 4 13 Tm 0.46592071152004 0.25939660831819 0.53752575411745 168.934 > 5 14 Tm 0.63542549100039 0.63325535948575 0.83600674658080 168.934 > 6 15 Tm 0.36457450899962 0.63325535948575 0.66399325341920 168.934 > 7 16 Tm 0.53407928847996 0.25939660831819 0.96247424588255 168.934 > 8 *17 Ge 0.81375089141099 0.40380765948161 0.19024057018295 72.640 > 9 18 Ge 0.31375089141099 0.09619234051839 0.69024057018295 72.640 > 10 19 Ge 0.68624910858901 0.90380765948161 0.30975942981705 72.640 > 11 20 Ge 0.18624910858901 0.59619234051839 0.80975942981705 72.640 > 12 21 Ge 0.31375089141099 0.90380765948161 0.19024057018295 72.640 > 9 22 Ge 0.81375089141099 0.59619234051839 0.69024057018295 72.640 > 10 23 Ge 0.18624910858901 0.40380765948161 0.30975942981705 72.640 > 11 24 Ge 0.68624910858901 0.09619234051839 0.80975942981705 72.640 > 12 *25 O 0.98230126535408 0.90030299880259 0.10104344442194 15.999 > 13 *26 O 0.79430220929735 0.57366281661787 0.04719666073744 15.999 > 14 *27 O 0.11481801002830 0.19675119675542 0.32103107329684 15.999 > 15 28 O 0.88518198997170 0.19675119675542 0.17896892670317 15.999 > 16 29 O 0.20569779070265 0.57366281661787 0.45280333926256 15.999 > 17 30 O 0.01769873464592 0.90030299880259 0.39895655557806 15.999 > 18 *31 O 0.69368697633833 0.34329171124967 0.17454579014922 15.999 > 19 *32 O 0.91821504910180 0.49859569633812 0.36681306086171 15.999 > 20 33 O 0.58178495089820 0.99859569633812 0.13318693913829 15.999 > 21 34 O 0.80631302366167 0.84329171124967 0.32545420985078 15.999 > 22 35 O 0.19368697633834 0.15670828875033 0.67454579014922 15.999 > 23 36 O 0.41821504910181 0.00140430366188 0.86681306086171 15.999 > 24 37 O 0.08178495089819 0.50140430366188 0.63318693913829 15.999 > 25 38 O 0.30631302366167 0.65670828875033 0.82545420985078 15.999 > 26 39 O 0.98230126535408 0.09969700119741 0.60104344442194 15.999 > 27 40 O 0.79430220929735 0.42633718338213 0.54719666073744 15.999 > 28 41 O 0.11481801002830 0.80324880324458 0.82103107329684 15.999 > 29 42 O 0.88518198997170 0.80324880324458 0.67896892670316 15.999 > 30 43 O 0.20569779070265 0.42633718338213 0.95280333926256 15.999 > 31 44 O 0.01769873464592 0.09969700119741 0.89895655557806 15.999 > 32 45 O 0.48230126535408 0.40030299880259 0.10104344442194 15.999 > 13 46 O 0.29430220929735 0.07366281661787 0.04719666073744 15.999 > 14 47 O 0.61481801002830 0.69675119675542 0.32103107329684 15.999 > 15 48 O 0.38518198997170 0.69675119675542 0.17896892670317 15.999 > 16 49 O 0.70569779070265 0.07366281661787 0.45280333926256 15.999 > 17 50 O 0.51769873464592 0.40030299880259 0.39895655557806 15.999 > 18 51 O 0.19368697633834 0.84329171124967 0.17454579014922 15.999 > 19 52 O 0.41821504910181 0.99859569633812 0.36681306086171 15.999 > 20 53 O 0.08178495089819 0.49859569633812 0.13318693913829 15.999 > 21 54 O 0.30631302366167 0.34329171124967 0.32545420985078 15.999 > 22 55 O 0.69368697633833 0.65670828875033 0.67454579014922 15.999 > 23 56 O 0.91821504910180 0.50140430366188 0.86681306086171 15.999 > 24 57 O 0.58178495089820 0.00140430366188 0.63318693913829 15.999 > 25 58 O 0.80631302366167 0.15670828875033 0.82545420985078 15.999 > 26 59 O 0.48230126535408 0.59969700119741 0.60104344442194 15.999 > 27 60 O 0.29430220929735 0.92633718338213 0.54719666073744 15.999 > 28 61 O 0.61481801002830 0.30324880324458 0.82103107329684 15.999 > 29 62 O 0.38518198997170 0.30324880324458 0.67896892670316 15.999 > 30 63 O 0.70569779070265 0.92633718338213 0.95280333926256 15.999 > 31 64 O 0.51769873464592 0.59969700119741 0.89895655557806 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.737620801140151 0.000000000000000 0.000000000000000 b 0.000000000000000 13.384032459999997 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): *1 Tm 0.96592071152004 0.12030169584091 0.03752575411745 168.934 > 1 2 Tm 0.96592071152004 0.62030169584091 0.03752575411745 168.934 > 1 *3 Tm 0.13542549100039 0.43337232025713 0.33600674658080 168.934 > 2 4 Tm 0.13542549100039 0.93337232025713 0.33600674658080 168.934 > 2 5 Tm 0.86457450899961 0.43337232025713 0.16399325341920 168.934 > 3 6 Tm 0.86457450899961 0.93337232025713 0.16399325341920 168.934 > 3 7 Tm 0.03407928847996 0.12030169584091 0.46247424588255 168.934 > 4 8 Tm 0.03407928847996 0.62030169584091 0.46247424588255 168.934 > 4 9 Tm 0.96592071152004 0.37969830415909 0.53752575411745 168.934 > 5 10 Tm 0.96592071152004 0.87969830415909 0.53752575411745 168.934 > 5 11 Tm 0.13542549100039 0.06662767974287 0.83600674658080 168.934 > 6 12 Tm 0.13542549100039 0.56662767974287 0.83600674658080 168.934 > 6 13 Tm 0.86457450899961 0.06662767974287 0.66399325341920 168.934 > 7 14 Tm 0.86457450899961 0.56662767974287 0.66399325341920 168.934 > 7 15 Tm 0.03407928847996 0.37969830415909 0.96247424588255 168.934 > 8 16 Tm 0.03407928847996 0.87969830415909 0.96247424588255 168.934 > 8 17 Tm 0.46592071152004 0.37030169584091 0.03752575411745 168.934 > 1 18 Tm 0.46592071152004 0.87030169584091 0.03752575411745 168.934 > 1 19 Tm 0.63542549100039 0.18337232025713 0.33600674658080 168.934 > 2 20 Tm 0.63542549100039 0.68337232025713 0.33600674658080 168.934 > 2 21 Tm 0.36457450899962 0.18337232025713 0.16399325341920 168.934 > 3 22 Tm 0.36457450899962 0.68337232025713 0.16399325341920 168.934 > 3 23 Tm 0.53407928847996 0.37030169584091 0.46247424588255 168.934 > 4 24 Tm 0.53407928847996 0.87030169584091 0.46247424588255 168.934 > 4 25 Tm 0.46592071152004 0.12969830415909 0.53752575411745 168.934 > 5 26 Tm 0.46592071152004 0.62969830415909 0.53752575411745 168.934 > 5 27 Tm 0.63542549100039 0.31662767974287 0.83600674658080 168.934 > 6 28 Tm 0.63542549100039 0.81662767974287 0.83600674658080 168.934 > 6 29 Tm 0.36457450899962 0.31662767974287 0.66399325341920 168.934 > 7 30 Tm 0.36457450899962 0.81662767974287 0.66399325341920 168.934 > 7 31 Tm 0.53407928847996 0.12969830415909 0.96247424588255 168.934 > 8 32 Tm 0.53407928847996 0.62969830415909 0.96247424588255 168.934 > 8 *33 Ge 0.81375089141099 0.20190382974081 0.19024057018295 72.640 > 9 34 Ge 0.81375089141099 0.70190382974081 0.19024057018295 72.640 > 9 35 Ge 0.31375089141099 0.04809617025919 0.69024057018295 72.640 > 10 36 Ge 0.31375089141099 0.54809617025919 0.69024057018295 72.640 > 10 37 Ge 0.68624910858901 0.45190382974081 0.30975942981705 72.640 > 11 38 Ge 0.68624910858901 0.95190382974081 0.30975942981705 72.640 > 11 39 Ge 0.18624910858901 0.29809617025919 0.80975942981705 72.640 > 12 40 Ge 0.18624910858901 0.79809617025919 0.80975942981705 72.640 > 12 41 Ge 0.31375089141099 0.45190382974081 0.19024057018295 72.640 > 9 42 Ge 0.31375089141099 0.95190382974081 0.19024057018295 72.640 > 9 43 Ge 0.81375089141099 0.29809617025919 0.69024057018295 72.640 > 10 44 Ge 0.81375089141099 0.79809617025919 0.69024057018295 72.640 > 10 45 Ge 0.18624910858901 0.20190382974081 0.30975942981705 72.640 > 11 46 Ge 0.18624910858901 0.70190382974081 0.30975942981705 72.640 > 11 47 Ge 0.68624910858901 0.04809617025919 0.80975942981705 72.640 > 12 48 Ge 0.68624910858901 0.54809617025919 0.80975942981705 72.640 > 12 *49 O 0.98230126535408 0.45015149940129 0.10104344442194 15.999 > 13 50 O 0.98230126535408 0.95015149940129 0.10104344442194 15.999 > 13 *51 O 0.79430220929735 0.28683140830894 0.04719666073744 15.999 > 14 52 O 0.79430220929735 0.78683140830894 0.04719666073744 15.999 > 14 *53 O 0.11481801002830 0.09837559837771 0.32103107329684 15.999 > 15 54 O 0.11481801002830 0.59837559837771 0.32103107329684 15.999 > 15 55 O 0.88518198997170 0.09837559837771 0.17896892670317 15.999 > 16 56 O 0.88518198997170 0.59837559837771 0.17896892670317 15.999 > 16 57 O 0.20569779070265 0.28683140830894 0.45280333926256 15.999 > 17 58 O 0.20569779070265 0.78683140830894 0.45280333926256 15.999 > 17 59 O 0.01769873464592 0.45015149940129 0.39895655557806 15.999 > 18 60 O 0.01769873464592 0.95015149940129 0.39895655557806 15.999 > 18 *61 O 0.69368697633833 0.17164585562483 0.17454579014922 15.999 > 19 62 O 0.69368697633833 0.67164585562483 0.17454579014922 15.999 > 19 *63 O 0.91821504910180 0.24929784816906 0.36681306086171 15.999 > 20 64 O 0.91821504910180 0.74929784816906 0.36681306086171 15.999 > 20 65 O 0.58178495089820 0.49929784816906 0.13318693913829 15.999 > 21 66 O 0.58178495089820 0.99929784816906 0.13318693913829 15.999 > 21 67 O 0.80631302366167 0.42164585562483 0.32545420985078 15.999 > 22 68 O 0.80631302366167 0.92164585562483 0.32545420985078 15.999 > 22 69 O 0.19368697633834 0.07835414437517 0.67454579014922 15.999 > 23 70 O 0.19368697633834 0.57835414437517 0.67454579014922 15.999 > 23 71 O 0.41821504910181 0.00070215183094 0.86681306086171 15.999 > 24 72 O 0.41821504910181 0.50070215183094 0.86681306086171 15.999 > 24 73 O 0.08178495089819 0.25070215183094 0.63318693913829 15.999 > 25 74 O 0.08178495089819 0.75070215183094 0.63318693913829 15.999 > 25 75 O 0.30631302366167 0.32835414437517 0.82545420985078 15.999 > 26 76 O 0.30631302366167 0.82835414437517 0.82545420985078 15.999 > 26 77 O 0.98230126535408 0.04984850059871 0.60104344442194 15.999 > 27 78 O 0.98230126535408 0.54984850059871 0.60104344442194 15.999 > 27 79 O 0.79430220929735 0.21316859169106 0.54719666073744 15.999 > 28 80 O 0.79430220929735 0.71316859169106 0.54719666073744 15.999 > 28 81 O 0.11481801002830 0.40162440162229 0.82103107329684 15.999 > 29 82 O 0.11481801002830 0.90162440162229 0.82103107329684 15.999 > 29 83 O 0.88518198997170 0.40162440162229 0.67896892670316 15.999 > 30 84 O 0.88518198997170 0.90162440162229 0.67896892670316 15.999 > 30 85 O 0.20569779070265 0.21316859169106 0.95280333926256 15.999 > 31 86 O 0.20569779070265 0.71316859169106 0.95280333926256 15.999 > 31 87 O 0.01769873464592 0.04984850059871 0.89895655557806 15.999 > 32 88 O 0.01769873464592 0.54984850059871 0.89895655557806 15.999 > 32 89 O 0.48230126535408 0.20015149940129 0.10104344442194 15.999 > 13 90 O 0.48230126535408 0.70015149940129 0.10104344442194 15.999 > 13 91 O 0.29430220929735 0.03683140830894 0.04719666073744 15.999 > 14 92 O 0.29430220929735 0.53683140830894 0.04719666073744 15.999 > 14 93 O 0.61481801002830 0.34837559837771 0.32103107329684 15.999 > 15 94 O 0.61481801002830 0.84837559837771 0.32103107329684 15.999 > 15 95 O 0.38518198997170 0.34837559837771 0.17896892670317 15.999 > 16 96 O 0.38518198997170 0.84837559837771 0.17896892670317 15.999 > 16 97 O 0.70569779070265 0.03683140830894 0.45280333926256 15.999 > 17 98 O 0.70569779070265 0.53683140830894 0.45280333926256 15.999 > 17 99 O 0.51769873464592 0.20015149940129 0.39895655557806 15.999 > 18 100 O 0.51769873464592 0.70015149940129 0.39895655557806 15.999 > 18 101 O 0.19368697633834 0.42164585562483 0.17454579014922 15.999 > 19 102 O 0.19368697633834 0.92164585562483 0.17454579014922 15.999 > 19 103 O 0.41821504910181 0.49929784816906 0.36681306086171 15.999 > 20 104 O 0.41821504910181 0.99929784816906 0.36681306086171 15.999 > 20 105 O 0.08178495089819 0.24929784816906 0.13318693913829 15.999 > 21 106 O 0.08178495089819 0.74929784816906 0.13318693913829 15.999 > 21 107 O 0.30631302366167 0.17164585562483 0.32545420985078 15.999 > 22 108 O 0.30631302366167 0.67164585562483 0.32545420985078 15.999 > 22 109 O 0.69368697633833 0.32835414437517 0.67454579014922 15.999 > 23 110 O 0.69368697633833 0.82835414437517 0.67454579014922 15.999 > 23 111 O 0.91821504910180 0.25070215183094 0.86681306086171 15.999 > 24 112 O 0.91821504910180 0.75070215183094 0.86681306086171 15.999 > 24 113 O 0.58178495089820 0.00070215183094 0.63318693913829 15.999 > 25 114 O 0.58178495089820 0.50070215183094 0.63318693913829 15.999 > 25 115 O 0.80631302366167 0.07835414437517 0.82545420985078 15.999 > 26 116 O 0.80631302366167 0.57835414437517 0.82545420985078 15.999 > 26 117 O 0.48230126535408 0.29984850059871 0.60104344442194 15.999 > 27 118 O 0.48230126535408 0.79984850059871 0.60104344442194 15.999 > 27 119 O 0.29430220929735 0.46316859169106 0.54719666073744 15.999 > 28 120 O 0.29430220929735 0.96316859169106 0.54719666073744 15.999 > 28 121 O 0.61481801002830 0.15162440162229 0.82103107329684 15.999 > 29 122 O 0.61481801002830 0.65162440162229 0.82103107329684 15.999 > 29 123 O 0.38518198997170 0.15162440162229 0.67896892670316 15.999 > 30 124 O 0.38518198997170 0.65162440162229 0.67896892670316 15.999 > 30 125 O 0.70569779070265 0.46316859169106 0.95280333926256 15.999 > 31 126 O 0.70569779070265 0.96316859169106 0.95280333926256 15.999 > 31 127 O 0.51769873464592 0.29984850059871 0.89895655557806 15.999 > 32 128 O 0.51769873464592 0.79984850059871 0.89895655557806 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7981124 0.0000000 0.0337088 0.0000000 3.7002877 0.0000000 0.0337093 0.0000000 3.7613272 -------------------------- Born effective charges -------------------------- 1 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 2 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 3 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 4 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 5 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 6 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 7 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 8 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 9 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 10 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 11 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 12 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 13 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 14 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 15 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 16 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 17 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 18 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 19 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 20 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 21 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 22 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 23 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 24 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 25 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 26 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 27 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 28 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 29 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 30 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 31 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 32 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.348 Solver_block: 200 / 960 - Time: 1.191 Solver_block: 300 / 960 - Time: 1.200 Solver_block: 400 / 960 - Time: 1.216 Solver_block: 500 / 960 - Time: 1.210 Solver_block: 600 / 960 - Time: 1.201 Solver_block: 700 / 960 - Time: 1.207 Solver_block: 800 / 960 - Time: 1.211 Solver_block: 900 / 960 - Time: 1.214 Solver_block: 960 / 960 - Time: 0.834 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.169 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:07:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:07:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.368810400570076 -3.346008114999999 0.000000000000000 b 7.368810400570076 3.346008114999999 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): 1 Tm 0.72531731983822 0.20652410320185 0.03752575411745 168.934 2 Tm 0.26868085048613 0.00217013151464 0.33600674658080 168.934 3 Tm 0.99782986848536 0.73131914951387 0.16399325341920 168.934 4 Tm 0.79347589679815 0.27468268016178 0.46247424588255 168.934 5 Tm 0.20652410320185 0.72531731983822 0.53752575411745 168.934 6 Tm 0.00217013151464 0.26868085048613 0.83600674658080 168.934 7 Tm 0.73131914951387 0.99782986848536 0.66399325341920 168.934 8 Tm 0.27468268016178 0.79347589679815 0.96247424588255 168.934 9 Ge 0.40994323192938 0.21755855089261 0.19024057018295 72.640 10 Ge 0.21755855089260 0.40994323192938 0.69024057018295 72.640 11 Ge 0.78244144910739 0.59005676807062 0.30975942981705 72.640 12 Ge 0.59005676807062 0.78244144910740 0.80975942981705 72.640 13 O 0.08199826655149 0.88260426415667 0.10104344442194 15.999 14 O 0.22063939267947 0.36796502591522 0.04719666073744 15.999 15 O 0.91806681327288 0.31156920678372 0.32103107329684 15.999 16 O 0.68843079321628 0.08193318672712 0.17896892670317 15.999 17 O 0.63203497408478 0.77936060732053 0.45280333926256 15.999 18 O 0.11739573584333 0.91800173344851 0.39895655557806 15.999 19 O 0.35039526508867 0.03697868758800 0.17454579014922 15.999 20 O 0.41961935276368 0.41681074543993 0.36681306086171 15.999 21 O 0.58318925456007 0.58038064723632 0.13318693913829 15.999 22 O 0.96302131241200 0.64960473491133 0.32545420985078 15.999 23 O 0.03697868758800 0.35039526508867 0.67454579014922 15.999 24 O 0.41681074543993 0.41961935276368 0.86681306086171 15.999 25 O 0.58038064723632 0.58318925456007 0.63318693913829 15.999 26 O 0.64960473491133 0.96302131241200 0.82545420985078 15.999 27 O 0.88260426415667 0.08199826655149 0.60104344442194 15.999 28 O 0.36796502591522 0.22063939267947 0.54719666073744 15.999 29 O 0.31156920678372 0.91806681327288 0.82103107329684 15.999 30 O 0.08193318672712 0.68843079321628 0.67896892670316 15.999 31 O 0.77936060732053 0.63203497408478 0.95280333926256 15.999 32 O 0.91800173344851 0.11739573584333 0.89895655557806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.737620801140151 0.000000000000000 0.000000000000000 b 0.000000000000000 13.384032459999997 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): 1 Tm 0.96592071152004 0.12030169584091 0.03752575411745 168.934 > 1 2 Tm 0.96592071152004 0.62030169584091 0.03752575411745 168.934 > 1 3 Tm 0.13542549100039 0.43337232025713 0.33600674658080 168.934 > 3 4 Tm 0.13542549100039 0.93337232025713 0.33600674658080 168.934 > 3 5 Tm 0.86457450899961 0.43337232025713 0.16399325341920 168.934 > 5 6 Tm 0.86457450899961 0.93337232025713 0.16399325341920 168.934 > 5 7 Tm 0.03407928847996 0.12030169584091 0.46247424588255 168.934 > 7 8 Tm 0.03407928847996 0.62030169584091 0.46247424588255 168.934 > 7 9 Tm 0.96592071152004 0.37969830415909 0.53752575411745 168.934 > 9 10 Tm 0.96592071152004 0.87969830415909 0.53752575411745 168.934 > 9 11 Tm 0.13542549100039 0.06662767974287 0.83600674658080 168.934 > 11 12 Tm 0.13542549100039 0.56662767974287 0.83600674658080 168.934 > 11 13 Tm 0.86457450899961 0.06662767974287 0.66399325341920 168.934 > 13 14 Tm 0.86457450899961 0.56662767974287 0.66399325341920 168.934 > 13 15 Tm 0.03407928847996 0.37969830415909 0.96247424588255 168.934 > 15 16 Tm 0.03407928847996 0.87969830415909 0.96247424588255 168.934 > 15 17 Tm 0.46592071152004 0.37030169584091 0.03752575411745 168.934 > 1 18 Tm 0.46592071152004 0.87030169584091 0.03752575411745 168.934 > 1 19 Tm 0.63542549100039 0.18337232025713 0.33600674658080 168.934 > 3 20 Tm 0.63542549100039 0.68337232025713 0.33600674658080 168.934 > 3 21 Tm 0.36457450899962 0.18337232025713 0.16399325341920 168.934 > 5 22 Tm 0.36457450899962 0.68337232025713 0.16399325341920 168.934 > 5 23 Tm 0.53407928847996 0.37030169584091 0.46247424588255 168.934 > 7 24 Tm 0.53407928847996 0.87030169584091 0.46247424588255 168.934 > 7 25 Tm 0.46592071152004 0.12969830415909 0.53752575411745 168.934 > 9 26 Tm 0.46592071152004 0.62969830415909 0.53752575411745 168.934 > 9 27 Tm 0.63542549100039 0.31662767974287 0.83600674658080 168.934 > 11 28 Tm 0.63542549100039 0.81662767974287 0.83600674658080 168.934 > 11 29 Tm 0.36457450899962 0.31662767974287 0.66399325341920 168.934 > 13 30 Tm 0.36457450899962 0.81662767974287 0.66399325341920 168.934 > 13 31 Tm 0.53407928847996 0.12969830415909 0.96247424588255 168.934 > 15 32 Tm 0.53407928847996 0.62969830415909 0.96247424588255 168.934 > 15 33 Ge 0.81375089141099 0.20190382974081 0.19024057018295 72.640 > 33 34 Ge 0.81375089141099 0.70190382974081 0.19024057018295 72.640 > 33 35 Ge 0.31375089141099 0.04809617025919 0.69024057018295 72.640 > 35 36 Ge 0.31375089141099 0.54809617025919 0.69024057018295 72.640 > 35 37 Ge 0.68624910858901 0.45190382974081 0.30975942981705 72.640 > 37 38 Ge 0.68624910858901 0.95190382974081 0.30975942981705 72.640 > 37 39 Ge 0.18624910858901 0.29809617025919 0.80975942981705 72.640 > 39 40 Ge 0.18624910858901 0.79809617025919 0.80975942981705 72.640 > 39 41 Ge 0.31375089141099 0.45190382974081 0.19024057018295 72.640 > 33 42 Ge 0.31375089141099 0.95190382974081 0.19024057018295 72.640 > 33 43 Ge 0.81375089141099 0.29809617025919 0.69024057018295 72.640 > 35 44 Ge 0.81375089141099 0.79809617025919 0.69024057018295 72.640 > 35 45 Ge 0.18624910858901 0.20190382974081 0.30975942981705 72.640 > 37 46 Ge 0.18624910858901 0.70190382974081 0.30975942981705 72.640 > 37 47 Ge 0.68624910858901 0.04809617025919 0.80975942981705 72.640 > 39 48 Ge 0.68624910858901 0.54809617025919 0.80975942981705 72.640 > 39 49 O 0.98230126535408 0.45015149940129 0.10104344442194 15.999 > 49 50 O 0.98230126535408 0.95015149940129 0.10104344442194 15.999 > 49 51 O 0.79430220929735 0.28683140830894 0.04719666073744 15.999 > 51 52 O 0.79430220929735 0.78683140830894 0.04719666073744 15.999 > 51 53 O 0.11481801002830 0.09837559837771 0.32103107329684 15.999 > 53 54 O 0.11481801002830 0.59837559837771 0.32103107329684 15.999 > 53 55 O 0.88518198997170 0.09837559837771 0.17896892670317 15.999 > 55 56 O 0.88518198997170 0.59837559837771 0.17896892670317 15.999 > 55 57 O 0.20569779070265 0.28683140830894 0.45280333926256 15.999 > 57 58 O 0.20569779070265 0.78683140830894 0.45280333926256 15.999 > 57 59 O 0.01769873464592 0.45015149940129 0.39895655557806 15.999 > 59 60 O 0.01769873464592 0.95015149940129 0.39895655557806 15.999 > 59 61 O 0.69368697633833 0.17164585562483 0.17454579014922 15.999 > 61 62 O 0.69368697633833 0.67164585562483 0.17454579014922 15.999 > 61 63 O 0.91821504910180 0.24929784816906 0.36681306086171 15.999 > 63 64 O 0.91821504910180 0.74929784816906 0.36681306086171 15.999 > 63 65 O 0.58178495089820 0.49929784816906 0.13318693913829 15.999 > 65 66 O 0.58178495089820 0.99929784816906 0.13318693913829 15.999 > 65 67 O 0.80631302366167 0.42164585562483 0.32545420985078 15.999 > 67 68 O 0.80631302366167 0.92164585562483 0.32545420985078 15.999 > 67 69 O 0.19368697633834 0.07835414437517 0.67454579014922 15.999 > 69 70 O 0.19368697633834 0.57835414437517 0.67454579014922 15.999 > 69 71 O 0.41821504910181 0.00070215183094 0.86681306086171 15.999 > 71 72 O 0.41821504910181 0.50070215183094 0.86681306086171 15.999 > 71 73 O 0.08178495089819 0.25070215183094 0.63318693913829 15.999 > 73 74 O 0.08178495089819 0.75070215183094 0.63318693913829 15.999 > 73 75 O 0.30631302366167 0.32835414437517 0.82545420985078 15.999 > 75 76 O 0.30631302366167 0.82835414437517 0.82545420985078 15.999 > 75 77 O 0.98230126535408 0.04984850059871 0.60104344442194 15.999 > 77 78 O 0.98230126535408 0.54984850059871 0.60104344442194 15.999 > 77 79 O 0.79430220929735 0.21316859169106 0.54719666073744 15.999 > 79 80 O 0.79430220929735 0.71316859169106 0.54719666073744 15.999 > 79 81 O 0.11481801002830 0.40162440162229 0.82103107329684 15.999 > 81 82 O 0.11481801002830 0.90162440162229 0.82103107329684 15.999 > 81 83 O 0.88518198997170 0.40162440162229 0.67896892670316 15.999 > 83 84 O 0.88518198997170 0.90162440162229 0.67896892670316 15.999 > 83 85 O 0.20569779070265 0.21316859169106 0.95280333926256 15.999 > 85 86 O 0.20569779070265 0.71316859169106 0.95280333926256 15.999 > 85 87 O 0.01769873464592 0.04984850059871 0.89895655557806 15.999 > 87 88 O 0.01769873464592 0.54984850059871 0.89895655557806 15.999 > 87 89 O 0.48230126535408 0.20015149940129 0.10104344442194 15.999 > 49 90 O 0.48230126535408 0.70015149940129 0.10104344442194 15.999 > 49 91 O 0.29430220929735 0.03683140830894 0.04719666073744 15.999 > 51 92 O 0.29430220929735 0.53683140830894 0.04719666073744 15.999 > 51 93 O 0.61481801002830 0.34837559837771 0.32103107329684 15.999 > 53 94 O 0.61481801002830 0.84837559837771 0.32103107329684 15.999 > 53 95 O 0.38518198997170 0.34837559837771 0.17896892670317 15.999 > 55 96 O 0.38518198997170 0.84837559837771 0.17896892670317 15.999 > 55 97 O 0.70569779070265 0.03683140830894 0.45280333926256 15.999 > 57 98 O 0.70569779070265 0.53683140830894 0.45280333926256 15.999 > 57 99 O 0.51769873464592 0.20015149940129 0.39895655557806 15.999 > 59 100 O 0.51769873464592 0.70015149940129 0.39895655557806 15.999 > 59 101 O 0.19368697633834 0.42164585562483 0.17454579014922 15.999 > 61 102 O 0.19368697633834 0.92164585562483 0.17454579014922 15.999 > 61 103 O 0.41821504910181 0.49929784816906 0.36681306086171 15.999 > 63 104 O 0.41821504910181 0.99929784816906 0.36681306086171 15.999 > 63 105 O 0.08178495089819 0.24929784816906 0.13318693913829 15.999 > 65 106 O 0.08178495089819 0.74929784816906 0.13318693913829 15.999 > 65 107 O 0.30631302366167 0.17164585562483 0.32545420985078 15.999 > 67 108 O 0.30631302366167 0.67164585562483 0.32545420985078 15.999 > 67 109 O 0.69368697633833 0.32835414437517 0.67454579014922 15.999 > 69 110 O 0.69368697633833 0.82835414437517 0.67454579014922 15.999 > 69 111 O 0.91821504910180 0.25070215183094 0.86681306086171 15.999 > 71 112 O 0.91821504910180 0.75070215183094 0.86681306086171 15.999 > 71 113 O 0.58178495089820 0.00070215183094 0.63318693913829 15.999 > 73 114 O 0.58178495089820 0.50070215183094 0.63318693913829 15.999 > 73 115 O 0.80631302366167 0.07835414437517 0.82545420985078 15.999 > 75 116 O 0.80631302366167 0.57835414437517 0.82545420985078 15.999 > 75 117 O 0.48230126535408 0.29984850059871 0.60104344442194 15.999 > 77 118 O 0.48230126535408 0.79984850059871 0.60104344442194 15.999 > 77 119 O 0.29430220929735 0.46316859169106 0.54719666073744 15.999 > 79 120 O 0.29430220929735 0.96316859169106 0.54719666073744 15.999 > 79 121 O 0.61481801002830 0.15162440162229 0.82103107329684 15.999 > 81 122 O 0.61481801002830 0.65162440162229 0.82103107329684 15.999 > 81 123 O 0.38518198997170 0.15162440162229 0.67896892670316 15.999 > 83 124 O 0.38518198997170 0.65162440162229 0.67896892670316 15.999 > 83 125 O 0.70569779070265 0.46316859169106 0.95280333926256 15.999 > 85 126 O 0.70569779070265 0.96316859169106 0.95280333926256 15.999 > 85 127 O 0.51769873464592 0.29984850059871 0.89895655557806 15.999 > 87 128 O 0.51769873464592 0.79984850059871 0.89895655557806 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7981124 0.0000000 0.0337088 0.0000000 3.7002877 0.0000000 0.0337093 0.0000000 3.7613272 -------------------------- Born effective charges -------------------------- 1 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 2 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 3 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 4 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 5 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 6 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 7 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 8 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 9 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 10 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 11 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 12 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 13 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 14 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 15 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 16 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 17 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 18 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 19 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 20 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 21 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 22 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 23 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 24 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 25 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 26 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 27 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 28 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 29 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 30 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 31 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 32 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 61, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:08:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:08:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.368810400570076 -3.346008114999999 0.000000000000000 b 7.368810400570076 3.346008114999999 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): 1 Tm 0.72531731983822 0.20652410320185 0.03752575411745 168.934 2 Tm 0.26868085048613 0.00217013151464 0.33600674658080 168.934 3 Tm 0.99782986848536 0.73131914951387 0.16399325341920 168.934 4 Tm 0.79347589679815 0.27468268016178 0.46247424588255 168.934 5 Tm 0.20652410320185 0.72531731983822 0.53752575411745 168.934 6 Tm 0.00217013151464 0.26868085048613 0.83600674658080 168.934 7 Tm 0.73131914951387 0.99782986848536 0.66399325341920 168.934 8 Tm 0.27468268016178 0.79347589679815 0.96247424588255 168.934 9 Ge 0.40994323192938 0.21755855089261 0.19024057018295 72.640 10 Ge 0.21755855089260 0.40994323192938 0.69024057018295 72.640 11 Ge 0.78244144910739 0.59005676807062 0.30975942981705 72.640 12 Ge 0.59005676807062 0.78244144910740 0.80975942981705 72.640 13 O 0.08199826655149 0.88260426415667 0.10104344442194 15.999 14 O 0.22063939267947 0.36796502591522 0.04719666073744 15.999 15 O 0.91806681327288 0.31156920678372 0.32103107329684 15.999 16 O 0.68843079321628 0.08193318672712 0.17896892670317 15.999 17 O 0.63203497408478 0.77936060732053 0.45280333926256 15.999 18 O 0.11739573584333 0.91800173344851 0.39895655557806 15.999 19 O 0.35039526508867 0.03697868758800 0.17454579014922 15.999 20 O 0.41961935276368 0.41681074543993 0.36681306086171 15.999 21 O 0.58318925456007 0.58038064723632 0.13318693913829 15.999 22 O 0.96302131241200 0.64960473491133 0.32545420985078 15.999 23 O 0.03697868758800 0.35039526508867 0.67454579014922 15.999 24 O 0.41681074543993 0.41961935276368 0.86681306086171 15.999 25 O 0.58038064723632 0.58318925456007 0.63318693913829 15.999 26 O 0.64960473491133 0.96302131241200 0.82545420985078 15.999 27 O 0.88260426415667 0.08199826655149 0.60104344442194 15.999 28 O 0.36796502591522 0.22063939267947 0.54719666073744 15.999 29 O 0.31156920678372 0.91806681327288 0.82103107329684 15.999 30 O 0.08193318672712 0.68843079321628 0.67896892670316 15.999 31 O 0.77936060732053 0.63203497408478 0.95280333926256 15.999 32 O 0.91800173344851 0.11739573584333 0.89895655557806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.737620801140151 0.000000000000000 0.000000000000000 b 0.000000000000000 13.384032459999997 0.000000000000000 c -5.409101908039897 0.000000000000000 8.650081517314907 Atomic positions (fractional): 1 Tm 0.96592071152004 0.12030169584091 0.03752575411745 168.934 > 1 2 Tm 0.96592071152004 0.62030169584091 0.03752575411745 168.934 > 1 3 Tm 0.13542549100039 0.43337232025713 0.33600674658080 168.934 > 3 4 Tm 0.13542549100039 0.93337232025713 0.33600674658080 168.934 > 3 5 Tm 0.86457450899961 0.43337232025713 0.16399325341920 168.934 > 5 6 Tm 0.86457450899961 0.93337232025713 0.16399325341920 168.934 > 5 7 Tm 0.03407928847996 0.12030169584091 0.46247424588255 168.934 > 7 8 Tm 0.03407928847996 0.62030169584091 0.46247424588255 168.934 > 7 9 Tm 0.96592071152004 0.37969830415909 0.53752575411745 168.934 > 9 10 Tm 0.96592071152004 0.87969830415909 0.53752575411745 168.934 > 9 11 Tm 0.13542549100039 0.06662767974287 0.83600674658080 168.934 > 11 12 Tm 0.13542549100039 0.56662767974287 0.83600674658080 168.934 > 11 13 Tm 0.86457450899961 0.06662767974287 0.66399325341920 168.934 > 13 14 Tm 0.86457450899961 0.56662767974287 0.66399325341920 168.934 > 13 15 Tm 0.03407928847996 0.37969830415909 0.96247424588255 168.934 > 15 16 Tm 0.03407928847996 0.87969830415909 0.96247424588255 168.934 > 15 17 Tm 0.46592071152004 0.37030169584091 0.03752575411745 168.934 > 1 18 Tm 0.46592071152004 0.87030169584091 0.03752575411745 168.934 > 1 19 Tm 0.63542549100039 0.18337232025713 0.33600674658080 168.934 > 3 20 Tm 0.63542549100039 0.68337232025713 0.33600674658080 168.934 > 3 21 Tm 0.36457450899962 0.18337232025713 0.16399325341920 168.934 > 5 22 Tm 0.36457450899962 0.68337232025713 0.16399325341920 168.934 > 5 23 Tm 0.53407928847996 0.37030169584091 0.46247424588255 168.934 > 7 24 Tm 0.53407928847996 0.87030169584091 0.46247424588255 168.934 > 7 25 Tm 0.46592071152004 0.12969830415909 0.53752575411745 168.934 > 9 26 Tm 0.46592071152004 0.62969830415909 0.53752575411745 168.934 > 9 27 Tm 0.63542549100039 0.31662767974287 0.83600674658080 168.934 > 11 28 Tm 0.63542549100039 0.81662767974287 0.83600674658080 168.934 > 11 29 Tm 0.36457450899962 0.31662767974287 0.66399325341920 168.934 > 13 30 Tm 0.36457450899962 0.81662767974287 0.66399325341920 168.934 > 13 31 Tm 0.53407928847996 0.12969830415909 0.96247424588255 168.934 > 15 32 Tm 0.53407928847996 0.62969830415909 0.96247424588255 168.934 > 15 33 Ge 0.81375089141099 0.20190382974081 0.19024057018295 72.640 > 33 34 Ge 0.81375089141099 0.70190382974081 0.19024057018295 72.640 > 33 35 Ge 0.31375089141099 0.04809617025919 0.69024057018295 72.640 > 35 36 Ge 0.31375089141099 0.54809617025919 0.69024057018295 72.640 > 35 37 Ge 0.68624910858901 0.45190382974081 0.30975942981705 72.640 > 37 38 Ge 0.68624910858901 0.95190382974081 0.30975942981705 72.640 > 37 39 Ge 0.18624910858901 0.29809617025919 0.80975942981705 72.640 > 39 40 Ge 0.18624910858901 0.79809617025919 0.80975942981705 72.640 > 39 41 Ge 0.31375089141099 0.45190382974081 0.19024057018295 72.640 > 33 42 Ge 0.31375089141099 0.95190382974081 0.19024057018295 72.640 > 33 43 Ge 0.81375089141099 0.29809617025919 0.69024057018295 72.640 > 35 44 Ge 0.81375089141099 0.79809617025919 0.69024057018295 72.640 > 35 45 Ge 0.18624910858901 0.20190382974081 0.30975942981705 72.640 > 37 46 Ge 0.18624910858901 0.70190382974081 0.30975942981705 72.640 > 37 47 Ge 0.68624910858901 0.04809617025919 0.80975942981705 72.640 > 39 48 Ge 0.68624910858901 0.54809617025919 0.80975942981705 72.640 > 39 49 O 0.98230126535408 0.45015149940129 0.10104344442194 15.999 > 49 50 O 0.98230126535408 0.95015149940129 0.10104344442194 15.999 > 49 51 O 0.79430220929735 0.28683140830894 0.04719666073744 15.999 > 51 52 O 0.79430220929735 0.78683140830894 0.04719666073744 15.999 > 51 53 O 0.11481801002830 0.09837559837771 0.32103107329684 15.999 > 53 54 O 0.11481801002830 0.59837559837771 0.32103107329684 15.999 > 53 55 O 0.88518198997170 0.09837559837771 0.17896892670317 15.999 > 55 56 O 0.88518198997170 0.59837559837771 0.17896892670317 15.999 > 55 57 O 0.20569779070265 0.28683140830894 0.45280333926256 15.999 > 57 58 O 0.20569779070265 0.78683140830894 0.45280333926256 15.999 > 57 59 O 0.01769873464592 0.45015149940129 0.39895655557806 15.999 > 59 60 O 0.01769873464592 0.95015149940129 0.39895655557806 15.999 > 59 61 O 0.69368697633833 0.17164585562483 0.17454579014922 15.999 > 61 62 O 0.69368697633833 0.67164585562483 0.17454579014922 15.999 > 61 63 O 0.91821504910180 0.24929784816906 0.36681306086171 15.999 > 63 64 O 0.91821504910180 0.74929784816906 0.36681306086171 15.999 > 63 65 O 0.58178495089820 0.49929784816906 0.13318693913829 15.999 > 65 66 O 0.58178495089820 0.99929784816906 0.13318693913829 15.999 > 65 67 O 0.80631302366167 0.42164585562483 0.32545420985078 15.999 > 67 68 O 0.80631302366167 0.92164585562483 0.32545420985078 15.999 > 67 69 O 0.19368697633834 0.07835414437517 0.67454579014922 15.999 > 69 70 O 0.19368697633834 0.57835414437517 0.67454579014922 15.999 > 69 71 O 0.41821504910181 0.00070215183094 0.86681306086171 15.999 > 71 72 O 0.41821504910181 0.50070215183094 0.86681306086171 15.999 > 71 73 O 0.08178495089819 0.25070215183094 0.63318693913829 15.999 > 73 74 O 0.08178495089819 0.75070215183094 0.63318693913829 15.999 > 73 75 O 0.30631302366167 0.32835414437517 0.82545420985078 15.999 > 75 76 O 0.30631302366167 0.82835414437517 0.82545420985078 15.999 > 75 77 O 0.98230126535408 0.04984850059871 0.60104344442194 15.999 > 77 78 O 0.98230126535408 0.54984850059871 0.60104344442194 15.999 > 77 79 O 0.79430220929735 0.21316859169106 0.54719666073744 15.999 > 79 80 O 0.79430220929735 0.71316859169106 0.54719666073744 15.999 > 79 81 O 0.11481801002830 0.40162440162229 0.82103107329684 15.999 > 81 82 O 0.11481801002830 0.90162440162229 0.82103107329684 15.999 > 81 83 O 0.88518198997170 0.40162440162229 0.67896892670316 15.999 > 83 84 O 0.88518198997170 0.90162440162229 0.67896892670316 15.999 > 83 85 O 0.20569779070265 0.21316859169106 0.95280333926256 15.999 > 85 86 O 0.20569779070265 0.71316859169106 0.95280333926256 15.999 > 85 87 O 0.01769873464592 0.04984850059871 0.89895655557806 15.999 > 87 88 O 0.01769873464592 0.54984850059871 0.89895655557806 15.999 > 87 89 O 0.48230126535408 0.20015149940129 0.10104344442194 15.999 > 49 90 O 0.48230126535408 0.70015149940129 0.10104344442194 15.999 > 49 91 O 0.29430220929735 0.03683140830894 0.04719666073744 15.999 > 51 92 O 0.29430220929735 0.53683140830894 0.04719666073744 15.999 > 51 93 O 0.61481801002830 0.34837559837771 0.32103107329684 15.999 > 53 94 O 0.61481801002830 0.84837559837771 0.32103107329684 15.999 > 53 95 O 0.38518198997170 0.34837559837771 0.17896892670317 15.999 > 55 96 O 0.38518198997170 0.84837559837771 0.17896892670317 15.999 > 55 97 O 0.70569779070265 0.03683140830894 0.45280333926256 15.999 > 57 98 O 0.70569779070265 0.53683140830894 0.45280333926256 15.999 > 57 99 O 0.51769873464592 0.20015149940129 0.39895655557806 15.999 > 59 100 O 0.51769873464592 0.70015149940129 0.39895655557806 15.999 > 59 101 O 0.19368697633834 0.42164585562483 0.17454579014922 15.999 > 61 102 O 0.19368697633834 0.92164585562483 0.17454579014922 15.999 > 61 103 O 0.41821504910181 0.49929784816906 0.36681306086171 15.999 > 63 104 O 0.41821504910181 0.99929784816906 0.36681306086171 15.999 > 63 105 O 0.08178495089819 0.24929784816906 0.13318693913829 15.999 > 65 106 O 0.08178495089819 0.74929784816906 0.13318693913829 15.999 > 65 107 O 0.30631302366167 0.17164585562483 0.32545420985078 15.999 > 67 108 O 0.30631302366167 0.67164585562483 0.32545420985078 15.999 > 67 109 O 0.69368697633833 0.32835414437517 0.67454579014922 15.999 > 69 110 O 0.69368697633833 0.82835414437517 0.67454579014922 15.999 > 69 111 O 0.91821504910180 0.25070215183094 0.86681306086171 15.999 > 71 112 O 0.91821504910180 0.75070215183094 0.86681306086171 15.999 > 71 113 O 0.58178495089820 0.00070215183094 0.63318693913829 15.999 > 73 114 O 0.58178495089820 0.50070215183094 0.63318693913829 15.999 > 73 115 O 0.80631302366167 0.07835414437517 0.82545420985078 15.999 > 75 116 O 0.80631302366167 0.57835414437517 0.82545420985078 15.999 > 75 117 O 0.48230126535408 0.29984850059871 0.60104344442194 15.999 > 77 118 O 0.48230126535408 0.79984850059871 0.60104344442194 15.999 > 77 119 O 0.29430220929735 0.46316859169106 0.54719666073744 15.999 > 79 120 O 0.29430220929735 0.96316859169106 0.54719666073744 15.999 > 79 121 O 0.61481801002830 0.15162440162229 0.82103107329684 15.999 > 81 122 O 0.61481801002830 0.65162440162229 0.82103107329684 15.999 > 81 123 O 0.38518198997170 0.15162440162229 0.67896892670316 15.999 > 83 124 O 0.38518198997170 0.65162440162229 0.67896892670316 15.999 > 83 125 O 0.70569779070265 0.46316859169106 0.95280333926256 15.999 > 85 126 O 0.70569779070265 0.96316859169106 0.95280333926256 15.999 > 85 127 O 0.51769873464592 0.29984850059871 0.89895655557806 15.999 > 87 128 O 0.51769873464592 0.79984850059871 0.89895655557806 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7981124 0.0000000 0.0337088 0.0000000 3.7002877 0.0000000 0.0337093 0.0000000 3.7613272 -------------------------- Born effective charges -------------------------- 1 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 2 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 3 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 4 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 5 Tm 3.4395704 -0.1729981 -0.0827643 -0.1222214 3.7122064 -0.0946549 -0.2408500 0.0223483 3.9579722 6 Tm 3.9252055 0.4855658 -0.0622606 0.4512634 3.6920875 0.1780208 0.2343404 0.0906388 3.7107721 7 Tm 3.9252055 -0.4855658 -0.0622606 -0.4512634 3.6920875 -0.1780208 0.2343404 -0.0906388 3.7107721 8 Tm 3.4395704 0.1729981 -0.0827643 0.1222214 3.7122064 0.0946549 -0.2408500 -0.0223483 3.9579722 9 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 10 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 11 Ge 3.4706123 0.1325560 0.2640874 0.0458047 3.1841273 0.0646532 0.1493061 0.0014026 3.1182370 12 Ge 3.4706123 -0.1325560 0.2640874 -0.0458047 3.1841273 -0.0646532 0.1493061 -0.0014026 3.1182370 13 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 14 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 15 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 16 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 17 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 18 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 19 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 20 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 21 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 22 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 23 O -2.9583839 0.2601790 0.0170235 0.3290568 -1.3401602 0.1966476 -0.0388912 0.1504342 -1.9568325 24 O -1.4522419 -0.3397452 -0.3684782 -0.2584943 -2.3644810 0.3446829 -0.4111173 0.2393817 -2.2801526 25 O -1.4522419 0.3397452 -0.3684782 0.2584943 -2.3644810 -0.3446829 -0.4111173 -0.2393817 -2.2801526 26 O -2.9583839 -0.2601790 0.0170235 -0.3290568 -1.3401602 -0.1966476 -0.0388912 -0.1504342 -1.9568325 27 O -2.8977803 -0.2172164 0.4170401 -0.2867879 -2.0612308 0.0399220 0.4417398 -0.0932050 -2.3098303 28 O -1.4911626 0.2042769 -0.3527202 0.2263804 -2.3136531 -0.1687152 -0.3423496 -0.3036899 -2.3806400 29 O -2.0358195 0.3310572 0.1680723 0.4371458 -2.5088961 -0.1372812 0.2078218 -0.1609772 -1.8595259 30 O -2.0358195 -0.3310572 0.1680723 -0.4371458 -2.5088961 0.1372812 0.2078218 0.1609772 -1.8595259 31 O -1.4911626 -0.2042769 -0.3527202 -0.2263804 -2.3136531 0.1687152 -0.3423496 0.3036899 -2.3806400 32 O -2.8977803 0.2172164 0.4170401 0.2867879 -2.0612308 -0.0399220 0.4417398 0.0932050 -2.3098303 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] 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: 0.55, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.285 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.844 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 12.124 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 13.729 ( 0.000 0.000 0.000) 0.000 14.390 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 0.000 0.000) 0.000 16.223 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.282 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 20.717 ( 0.000 0.000 0.000) 0.000 21.251 ( 0.000 0.000 0.000) 0.000 21.275 ( 0.000 0.000 0.000) 0.000 21.348 ( 0.000 0.000 0.000) 0.000 21.504 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 22.838 ( 0.000 0.000 0.000) 0.000 22.840 ( 0.000 0.000 0.000) 0.000 23.142 ( 0.000 0.000 0.000) 0.000 23.238 ( 0.000 0.000 0.000) 0.000 23.389 ( 0.000 0.000 0.000) 0.000 23.629 ( 0.000 0.000 0.000) 0.000 23.631 ( 0.000 0.000 0.000) 0.000 23.934 ( 0.000 0.000 0.000) 0.000 24.037 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 20.881 -15.328 -0.768) 25.914 0.641 ( 10.551 -24.502 15.254) 30.730 0.916 ( 20.136 -31.763 12.337) 39.580 1.577 ( 0.008 -13.265 2.804) 13.558 2.067 ( -7.384 -10.195 -1.100) 12.637 2.154 ( -2.908 -15.386 -1.418) 15.722 2.334 ( 3.601 -3.158 -0.738) 4.846 2.510 ( -5.585 -9.200 1.132) 10.822 2.629 ( -6.681 -5.732 3.572) 9.500 2.720 ( 9.247 -4.860 -4.413) 11.340 2.840 ( 0.737 -1.107 1.207) 1.796 3.094 ( 3.140 0.397 2.345) 3.939 3.210 ( 1.542 11.709 0.212) 11.812 3.310 ( -3.297 -1.384 -2.669) 4.462 3.362 ( 0.313 0.426 -0.681) 0.862 3.640 ( -3.518 -1.884 4.011) 5.658 3.795 ( -3.697 4.985 -4.112) 7.445 3.860 ( -2.840 -5.858 -0.986) 6.584 3.936 ( -2.200 0.768 -4.258) 4.854 4.012 ( 2.155 4.133 -0.395) 4.678 4.135 ( -10.055 -1.395 -3.272) 10.665 4.329 ( 5.975 0.292 1.677) 6.213 4.347 ( 4.311 0.289 -0.660) 4.371 4.726 ( 1.860 -3.563 -0.471) 4.047 4.792 ( -1.959 4.058 2.014) 4.936 4.905 ( 0.608 -5.757 -1.067) 5.886 5.170 ( -1.577 0.458 1.720) 2.378 5.202 ( -1.653 0.397 -1.604) 2.337 5.457 ( 2.618 8.502 -0.496) 8.910 5.494 ( 0.019 4.285 0.609) 4.328 5.592 ( -2.073 1.575 0.047) 2.604 5.755 ( 0.302 6.656 0.744) 6.704 5.792 ( 0.588 4.673 -1.096) 4.836 5.850 ( -0.342 -7.347 2.542) 7.782 5.922 ( -1.163 -3.529 -1.279) 3.930 6.055 ( -0.694 -1.133 -3.661) 3.895 6.295 ( 7.413 -1.896 1.765) 7.853 6.761 ( -1.934 8.727 9.640) 13.146 6.866 ( -1.175 -0.064 -1.984) 2.307 6.943 ( -3.936 1.171 2.205) 4.661 7.665 ( 1.341 1.737 -1.044) 2.430 7.825 ( -3.726 1.281 -7.118) 8.135 7.953 ( 3.193 4.065 3.759) 6.391 7.997 ( 1.085 -8.263 -0.150) 8.335 8.018 ( -2.104 2.038 -1.157) 3.149 8.142 ( 0.627 1.513 0.125) 1.643 8.290 ( -0.834 -1.699 0.726) 2.027 8.483 ( -2.339 -0.022 -3.105) 3.888 8.800 ( -1.410 0.546 11.360) 11.460 9.358 ( -6.388 -0.126 0.666) 6.424 9.407 ( -1.648 0.056 -2.674) 3.142 9.618 ( 2.782 4.445 1.314) 5.407 9.695 ( 5.992 -0.150 -0.670) 6.031 10.347 ( 3.926 -0.416 1.797) 4.338 10.575 ( -2.375 -7.690 -12.292) 14.692 10.602 ( -0.734 -2.049 -1.284) 2.527 10.757 ( -3.413 -3.191 12.410) 13.261 11.130 ( -8.532 -0.154 3.040) 9.058 11.177 ( 0.001 -0.636 -0.046) 0.638 11.289 ( 3.392 -3.148 -4.135) 6.206 11.540 ( -22.443 -5.602 9.197) 24.893 11.582 ( -13.923 -11.603 -21.055) 27.781 11.831 ( -0.164 1.696 -0.035) 1.705 12.116 ( 0.787 1.592 1.878) 2.585 12.180 ( -0.925 -1.072 1.147) 1.822 12.410 ( 5.475 5.497 3.942) 8.703 12.486 ( 6.522 3.952 4.359) 8.784 13.177 ( -1.464 16.680 6.381) 17.919 13.240 ( -6.985 1.165 0.699) 7.116 13.430 ( 7.512 6.413 3.165) 10.372 13.529 ( -9.113 -6.469 -3.190) 11.622 13.735 ( -0.591 0.616 6.044) 6.104 13.854 ( 5.725 -5.157 10.011) 12.632 14.245 ( -0.263 6.462 -3.473) 7.340 14.586 ( -4.300 -8.124 2.355) 9.489 15.327 ( -30.179 -12.756 4.208) 33.033 16.478 ( 52.134 22.040 -15.139) 58.592 17.077 ( 4.875 -1.036 -0.254) 4.990 18.012 ( 5.955 0.559 -17.294) 18.299 18.058 ( 1.406 -2.703 -11.002) 11.416 20.716 ( -1.673 4.089 8.946) 9.978 21.225 ( 1.859 0.133 -7.158) 7.397 21.333 ( -0.829 2.970 14.571) 14.894 21.408 ( -0.050 -5.192 -0.632) 5.231 21.531 ( 0.801 -2.029 2.562) 3.365 22.482 ( -33.927 -5.498 -12.280) 36.498 22.810 ( 0.120 0.919 -1.679) 1.918 22.998 ( -9.446 -10.226 -0.299) 13.924 23.297 ( -12.243 -10.254 -5.407) 16.860 23.382 ( 1.101 -7.068 5.020) 8.739 23.394 ( 1.382 -1.615 1.822) 2.800 23.646 ( -0.697 -1.441 1.994) 2.558 23.924 ( 0.280 0.935 -1.176) 1.528 24.026 ( -0.625 0.472 -1.370) 1.578 24.171 ( -0.033 3.027 -3.096) 4.330 24.277 ( 55.818 30.875 10.339) 64.620 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 18.148 -14.047 1.438) 22.995 1.237 ( 9.216 -21.550 12.764) 26.688 1.584 ( 6.722 -19.658 10.090) 23.096 1.900 ( -2.249 -17.109 -1.280) 17.304 2.137 ( -3.294 -9.912 -0.620) 10.464 2.383 ( -4.286 -3.912 -1.454) 5.982 2.497 ( -2.024 -15.312 0.727) 15.463 2.726 ( -2.624 -10.296 4.247) 11.442 2.769 ( -2.344 -12.605 2.569) 13.076 2.854 ( 2.873 -2.887 -0.124) 4.075 2.908 ( 5.321 -3.375 -1.066) 6.391 3.057 ( 5.593 2.775 1.381) 6.394 3.152 ( 4.392 0.317 0.852) 4.485 3.296 ( -3.063 2.263 -3.937) 5.477 3.325 ( 1.339 -2.780 -0.891) 3.211 3.575 ( -7.122 5.081 3.550) 9.442 3.727 ( -1.842 -4.696 -3.637) 6.219 3.807 ( -5.412 8.044 -6.239) 11.529 3.856 ( -2.147 0.902 -2.229) 3.223 3.966 ( -5.085 -3.102 -5.430) 8.060 4.133 ( -4.050 -3.382 1.227) 5.417 4.335 ( 3.125 4.310 -2.106) 5.725 4.429 ( 6.591 -2.495 7.329) 10.167 4.701 ( -0.103 4.633 0.828) 4.707 4.828 ( 3.636 -3.280 3.379) 5.950 5.001 ( -2.553 -4.087 1.260) 4.981 5.135 ( 0.489 3.656 2.562) 4.491 5.190 ( -2.549 -2.703 -7.103) 8.016 5.324 ( 4.010 5.857 -2.435) 7.504 5.408 ( -0.322 4.091 -1.156) 4.263 5.446 ( -4.078 6.355 0.917) 7.606 5.692 ( 0.091 4.804 1.119) 4.933 5.745 ( 6.664 3.237 2.322) 7.764 5.904 ( -5.672 -0.601 2.683) 6.303 6.015 ( 0.719 -1.818 -7.467) 7.718 6.102 ( 1.370 -8.661 -1.599) 8.913 6.340 ( 3.848 1.646 -3.650) 5.554 6.589 ( 3.591 11.793 9.480) 15.552 6.861 ( -4.489 -1.167 -6.248) 7.782 6.893 ( -5.335 0.413 2.532) 5.920 7.641 ( 1.113 0.524 -3.163) 3.394 7.736 ( -2.659 2.555 -3.790) 5.288 7.867 ( 0.571 7.904 2.719) 8.378 7.901 ( -1.425 6.243 -1.200) 6.515 8.113 ( 3.470 -0.296 -1.007) 3.625 8.189 ( 0.144 -5.536 0.398) 5.552 8.302 ( -0.651 0.843 3.461) 3.621 8.446 ( -3.622 -0.049 -1.685) 3.996 8.843 ( -1.942 -1.026 6.776) 7.123 9.287 ( -5.246 -0.779 -0.637) 5.341 9.458 ( -1.035 -4.964 -1.010) 5.170 9.558 ( 4.231 5.572 3.255) 7.717 9.734 ( 4.774 0.274 -1.704) 5.077 10.434 ( 7.711 -2.150 3.821) 8.870 10.598 ( -1.541 -2.885 -3.155) 4.544 10.666 ( -2.203 -4.220 -3.584) 5.959 10.867 ( -2.708 -5.442 7.832) 9.915 11.088 ( -2.131 0.701 -0.194) 2.252 11.203 ( 1.506 -1.528 0.533) 2.211 11.303 ( 8.054 3.021 -9.538) 12.844 11.524 ( -8.326 -0.805 10.054) 13.079 11.598 ( -16.072 -12.406 -9.189) 22.286 11.778 ( -1.450 2.084 -0.069) 2.540 12.081 ( 0.695 3.677 1.593) 4.067 12.176 ( -0.377 1.797 -0.148) 1.842 12.390 ( 3.066 3.059 3.515) 5.578 12.502 ( 4.714 0.929 1.639) 5.076 12.915 ( 0.237 12.501 5.545) 13.678 13.161 ( -5.430 0.930 -1.746) 5.779 13.379 ( 1.390 5.314 3.099) 6.307 13.510 ( -8.373 -0.479 -1.825) 8.582 13.735 ( -2.835 0.374 3.827) 4.777 13.999 ( 3.765 -3.965 -1.061) 5.569 14.190 ( 4.332 -0.262 -2.714) 5.119 14.668 ( -8.321 -4.797 2.267) 9.868 15.339 ( -11.178 -6.423 -0.569) 12.904 16.416 ( 22.526 12.269 -5.563) 26.247 17.146 ( 6.065 -0.993 -0.099) 6.147 17.920 ( 1.789 3.484 -11.283) 11.943 18.091 ( 0.338 -2.404 -0.366) 2.455 20.670 ( -0.811 3.021 3.853) 4.963 21.213 ( 2.786 1.016 -2.329) 3.770 21.349 ( 0.394 0.901 8.152) 8.212 21.481 ( -1.652 -4.202 -4.182) 6.154 21.628 ( 3.069 -3.425 6.625) 8.065 22.219 ( -17.272 3.586 -7.479) 19.160 22.798 ( 0.478 -0.070 -1.134) 1.232 23.127 ( -2.545 -7.969 2.183) 8.645 23.371 ( -4.644 -7.246 -2.837) 9.062 23.400 ( -1.291 -1.775 -1.103) 2.456 23.595 ( 0.943 -7.505 5.874) 9.577 23.690 ( -1.319 -2.963 2.749) 4.252 23.888 ( 0.521 2.387 -2.638) 3.596 23.997 ( -1.571 0.474 -2.156) 2.709 24.086 ( 0.785 3.503 -4.385) 5.667 24.205 ( 23.489 17.063 4.910) 29.444 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 11.349 -8.237 1.812) 14.140 1.686 ( 2.943 -15.097 4.152) 15.932 1.903 ( 1.972 -8.129 12.273) 14.852 2.122 ( -1.697 -10.636 -7.401) 13.069 2.353 ( 2.324 -9.037 1.038) 9.388 2.395 ( -5.113 -1.588 -1.841) 5.662 2.638 ( -5.351 -5.633 4.088) 8.779 2.798 ( 0.937 0.251 6.012) 6.089 2.874 ( 2.363 4.064 2.104) 5.150 2.986 ( -2.768 -3.573 -1.275) 4.696 3.029 ( 4.735 -3.749 -5.363) 8.077 3.065 ( 0.557 -9.785 2.159) 10.036 3.144 ( -4.567 5.398 -2.829) 7.615 3.299 ( 5.755 -3.189 -1.067) 6.665 3.435 ( -10.967 4.881 -0.293) 12.007 3.503 ( 6.272 -1.624 -2.070) 6.801 3.663 ( 7.333 -6.132 1.329) 9.651 3.800 ( 1.199 -3.124 1.162) 3.543 3.857 ( -0.249 -2.876 -3.621) 4.631 3.950 ( -7.935 -4.565 -2.960) 9.621 4.137 ( -7.438 0.864 3.470) 8.253 4.247 ( 2.057 3.820 -2.187) 4.859 4.532 ( 3.621 0.192 2.204) 4.243 4.626 ( -1.255 3.083 -0.567) 3.377 4.920 ( -0.338 -2.279 4.342) 4.915 5.015 ( 6.125 2.960 1.136) 6.897 5.104 ( 0.324 1.916 1.273) 2.323 5.182 ( -6.699 -2.996 -4.146) 8.429 5.251 ( 0.835 2.458 -2.058) 3.313 5.358 ( 1.366 -1.636 -1.697) 2.724 5.402 ( -0.593 -1.094 -0.184) 1.258 5.642 ( 1.561 1.969 2.656) 3.656 5.700 ( 4.653 8.332 0.978) 9.593 5.839 ( -6.718 1.391 -0.334) 6.869 5.974 ( 0.659 1.385 -6.433) 6.614 6.252 ( -1.693 -5.685 0.545) 5.957 6.293 ( 3.668 2.864 -3.113) 5.599 6.548 ( 7.176 3.377 8.240) 11.437 6.755 ( -6.827 2.014 -8.421) 11.026 6.860 ( -3.191 0.711 1.742) 3.704 7.629 ( -1.947 -1.003 -3.584) 4.200 7.653 ( 1.326 4.024 -0.071) 4.237 7.747 ( -0.360 5.055 1.431) 5.266 7.790 ( 0.159 4.119 1.158) 4.281 8.126 ( 2.060 0.161 -3.707) 4.244 8.236 ( 0.702 1.184 2.313) 2.692 8.313 ( -0.175 -0.689 3.201) 3.279 8.404 ( -2.796 0.578 -0.822) 2.972 8.861 ( -3.132 -0.870 1.824) 3.728 9.319 ( -2.379 -5.153 -0.151) 5.678 9.465 ( 6.164 5.900 1.609) 8.683 9.573 ( -1.556 -3.250 1.694) 3.982 9.752 ( 1.241 -0.366 -1.590) 2.050 10.578 ( 8.561 -1.278 5.531) 10.272 10.626 ( -3.447 -4.907 -6.349) 8.734 10.677 ( -1.678 -1.147 0.656) 2.136 10.978 ( -2.698 -3.912 4.431) 6.497 11.060 ( 2.146 0.960 -0.439) 2.392 11.238 ( 3.292 2.559 -8.497) 9.465 11.270 ( 1.660 -2.164 1.636) 3.181 11.529 ( -9.287 -1.290 11.239) 14.637 11.574 ( -0.328 1.546 -9.944) 10.069 11.818 ( -7.650 -8.915 2.731) 12.060 12.028 ( -1.381 2.173 2.273) 3.435 12.110 ( 6.222 5.973 -4.448) 9.704 12.364 ( -1.421 2.012 1.075) 2.688 12.521 ( 2.273 1.218 0.711) 2.674 12.824 ( 7.652 4.435 7.599) 11.661 13.094 ( -5.588 -0.071 -4.667) 7.281 13.263 ( -10.145 4.123 3.839) 11.604 13.447 ( 1.516 1.585 -2.282) 3.166 13.727 ( -2.234 -0.313 1.327) 2.617 14.091 ( 5.705 -2.718 -2.562) 6.819 14.230 ( 1.002 -1.168 -0.614) 1.657 14.659 ( -6.963 -0.955 1.422) 7.171 15.366 ( -4.053 -3.534 -1.284) 5.529 16.356 ( 9.738 6.355 -1.908) 11.784 17.203 ( 3.868 -0.443 0.062) 3.894 17.821 ( 0.130 2.808 -4.794) 5.557 18.134 ( 0.451 -1.620 -0.084) 1.684 20.638 ( -0.285 1.498 1.830) 2.382 21.203 ( 1.498 1.331 0.258) 2.020 21.393 ( 2.029 -0.536 4.154) 4.654 21.504 ( -1.846 -2.318 -3.233) 4.385 21.741 ( 2.004 -2.418 4.005) 5.090 22.007 ( -8.340 3.542 -3.665) 9.774 22.803 ( 0.236 -0.467 -0.597) 0.794 23.252 ( -0.979 -5.291 1.544) 5.598 23.403 ( -0.666 -0.810 -0.787) 1.311 23.468 ( -2.962 -6.359 -0.838) 7.065 23.697 ( -0.282 -1.123 3.835) 4.006 23.787 ( -1.477 -6.281 2.819) 7.042 23.813 ( 0.734 3.682 -4.128) 5.580 23.968 ( -1.318 0.105 -1.329) 1.875 24.032 ( 1.286 0.789 -4.215) 4.477 24.097 ( 11.104 12.164 3.334) 16.804 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -0.000 0.000) 0.000 1.930 ( -0.000 0.000 0.000) 0.000 1.945 ( 0.000 -0.000 -0.000) 0.000 2.288 ( 0.000 -0.001 0.000) 0.001 2.289 ( -0.000 0.001 -0.000) 0.001 2.448 ( 0.000 -0.000 0.000) 0.000 2.758 ( 0.000 0.000 -0.000) 0.000 2.777 ( 0.000 -0.000 0.000) 0.000 2.825 ( 0.000 -0.000 -0.000) 0.000 3.004 ( -0.000 -0.000 -0.000) 0.000 3.021 ( 0.000 -0.000 0.000) 0.000 3.155 ( 0.000 -0.000 0.000) 0.000 3.157 ( -0.000 0.000 -0.000) 0.000 3.240 ( 0.000 -0.000 0.000) 0.000 3.395 ( 0.000 -0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 -0.000 0.000) 0.000 3.953 ( -0.000 -0.000 -0.000) 0.000 4.055 ( -0.000 -0.000 -0.000) 0.000 4.228 ( 0.000 -0.000 -0.000) 0.000 4.534 ( 0.000 -0.000 -0.000) 0.000 4.577 ( -0.000 -0.000 0.000) 0.000 4.963 ( 0.000 -0.000 -0.000) 0.000 5.033 ( 0.000 -0.000 0.000) 0.000 5.066 ( 0.000 -0.000 0.000) 0.000 5.134 ( 0.000 -0.000 0.000) 0.000 5.260 ( 0.000 -0.000 -0.000) 0.000 5.400 ( 0.000 -0.000 0.000) 0.000 5.438 ( 0.000 -0.000 0.000) 0.000 5.571 ( 0.000 -0.000 -0.000) 0.000 5.667 ( -0.000 -0.000 -0.000) 0.000 5.786 ( 0.000 -0.000 0.000) 0.000 5.943 ( 0.000 -0.000 0.000) 0.000 6.256 ( -0.000 -0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 -0.000 0.000) 0.000 6.634 ( -0.000 -0.000 -0.000) 0.000 6.842 ( -0.000 -0.000 0.000) 0.000 7.616 ( -0.000 -0.000 -0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 -0.000 0.000) 0.000 7.766 ( -0.000 -0.000 0.000) 0.000 8.116 ( 0.000 -0.000 -0.000) 0.000 8.226 ( 0.000 -0.000 0.000) 0.000 8.337 ( 0.000 -0.000 0.000) 0.000 8.381 ( 0.000 -0.000 0.000) 0.000 8.858 ( 0.000 -0.000 0.000) 0.000 9.378 ( -0.000 -0.000 -0.000) 0.000 9.423 ( 0.000 -0.000 0.000) 0.000 9.608 ( 0.000 -0.000 -0.000) 0.000 9.753 ( 0.000 -0.000 0.000) 0.000 10.627 ( 0.000 -0.000 -0.000) 0.000 10.634 ( 0.000 -0.000 0.000) 0.000 10.720 ( -0.000 -0.000 -0.000) 0.000 10.981 ( 0.000 -0.000 0.000) 0.000 11.117 ( 0.000 -0.000 0.000) 0.000 11.170 ( 0.000 -0.000 -0.000) 0.000 11.313 ( 0.000 -0.000 -0.000) 0.000 11.523 ( 0.000 -0.000 -0.000) 0.000 11.526 ( -0.000 -0.000 0.000) 0.000 11.908 ( 0.000 -0.000 0.000) 0.000 11.998 ( 0.000 0.000 -0.000) 0.000 12.056 ( -0.000 -0.000 0.000) 0.000 12.329 ( 0.000 -0.000 0.000) 0.000 12.521 ( 0.000 -0.000 0.000) 0.000 12.876 ( 0.000 -0.000 0.000) 0.000 13.026 ( 0.000 -0.000 -0.000) 0.000 13.184 ( -0.000 -0.000 0.000) 0.000 13.438 ( 0.000 -0.000 0.000) 0.000 13.723 ( 0.000 -0.000 0.000) 0.000 14.145 ( 0.000 -0.000 -0.000) 0.000 14.237 ( -0.000 -0.000 0.000) 0.000 14.635 ( 0.000 -0.000 -0.000) 0.000 15.379 ( 0.000 -0.000 0.000) 0.000 16.331 ( 0.000 -0.000 0.000) 0.000 17.224 ( 0.000 -0.000 0.000) 0.000 17.781 ( 0.000 -0.000 0.000) 0.000 18.151 ( 0.000 -0.000 -0.000) 0.000 20.628 ( 0.000 -0.000 0.000) 0.000 21.197 ( 0.000 -0.000 0.000) 0.000 21.422 ( 0.000 -0.000 -0.000) 0.000 21.510 ( 0.000 -0.000 0.000) 0.000 21.779 ( 0.000 -0.000 -0.000) 0.000 21.929 ( 0.000 -0.000 0.000) 0.000 22.808 ( 0.000 -0.000 0.000) 0.000 23.304 ( 0.000 -0.000 0.000) 0.000 23.404 ( 0.000 -0.000 -0.000) 0.000 23.524 ( 0.000 -0.000 -0.000) 0.000 23.715 ( 0.000 -0.000 -0.000) 0.000 23.758 ( 0.000 -0.000 0.000) 0.000 23.872 ( 0.000 0.000 -0.000) 0.000 23.958 ( 0.000 -0.000 0.000) 0.000 24.001 ( -0.000 -0.000 0.000) 0.000 24.033 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 21.596 -0.000 16.739) 27.324 0.619 ( 33.208 -0.000 4.241) 33.478 1.021 ( 35.542 -0.000 27.707) 45.066 1.456 ( 0.078 -0.000 0.875) 0.878 1.890 ( -1.060 0.000 -0.673) 1.256 1.955 ( -11.158 0.000 3.133) 11.589 2.336 ( -12.302 0.000 1.516) 12.395 2.353 ( 5.356 -0.000 -1.349) 5.523 2.523 ( -5.877 0.000 2.261) 6.296 2.735 ( 9.578 -0.000 -3.814) 10.310 2.846 ( 0.305 -0.000 2.843) 2.860 3.161 ( 5.846 -0.000 5.236) 7.848 3.188 ( -4.827 0.000 -10.282) 11.358 3.355 ( -1.940 0.000 -1.640) 2.540 3.393 ( -0.128 0.000 -0.558) 0.572 3.624 ( -4.672 0.000 9.176) 10.297 3.686 ( -4.259 0.000 1.023) 4.380 3.871 ( -4.363 0.000 -6.208) 7.588 3.910 ( -2.955 0.000 -0.418) 2.984 3.972 ( -9.765 0.000 -4.248) 10.649 4.083 ( 2.895 -0.000 -0.053) 2.895 4.331 ( 8.961 -0.000 -8.243) 12.175 4.378 ( 1.664 -0.000 2.702) 3.173 4.711 ( 4.906 -0.000 1.465) 5.120 4.806 ( -4.406 0.000 -0.213) 4.411 4.874 ( 4.477 -0.000 1.419) 4.697 5.163 ( -0.971 0.000 -1.286) 1.612 5.176 ( -3.475 0.000 5.567) 6.563 5.514 ( -2.532 0.000 -2.513) 3.568 5.552 ( -1.010 0.000 -2.887) 3.059 5.613 ( 2.136 -0.000 1.401) 2.554 5.755 ( 2.381 -0.000 -0.364) 2.409 5.804 ( -3.113 0.000 6.564) 7.265 5.880 ( 7.667 -0.000 -1.233) 7.765 5.957 ( 2.282 -0.000 4.046) 4.645 5.995 ( -1.669 0.000 -4.945) 5.219 6.383 ( 4.048 -0.000 -0.203) 4.053 6.633 ( -11.766 0.000 3.293) 12.218 6.851 ( -5.500 0.000 -3.708) 6.633 7.213 ( -2.297 0.000 14.622) 14.801 7.706 ( 2.700 -0.000 -1.410) 3.046 7.762 ( -4.483 0.000 -6.993) 8.306 7.871 ( -0.288 0.000 -1.357) 1.387 8.018 ( 0.166 -0.000 1.877) 1.884 8.079 ( 2.145 -0.000 2.126) 3.020 8.169 ( 2.767 -0.000 -2.533) 3.751 8.230 ( 1.160 -0.000 4.896) 5.031 8.444 ( -3.247 0.000 -4.548) 5.588 8.851 ( -12.806 0.000 17.450) 21.645 9.278 ( -8.598 0.000 -0.496) 8.612 9.359 ( -6.232 0.000 0.175) 6.235 9.683 ( 1.477 -0.000 4.811) 5.033 9.744 ( 7.091 -0.000 -1.832) 7.324 10.119 ( -3.567 0.000 4.412) 5.674 10.425 ( 8.519 -0.000 0.834) 8.560 10.579 ( -6.305 0.000 5.332) 8.257 10.757 ( -8.311 0.000 17.073) 18.988 10.876 ( -0.569 0.000 1.710) 1.802 11.150 ( -7.259 0.000 5.361) 9.024 11.178 ( -0.021 0.000 -0.247) 0.248 11.385 ( 9.161 -0.000 -16.287) 18.687 11.602 ( 5.337 -0.000 -1.678) 5.594 11.846 ( 0.081 -0.000 0.100) 0.129 12.121 ( -0.704 0.000 -0.285) 0.760 12.220 ( 3.311 -0.000 4.277) 5.409 12.494 ( 3.379 -0.000 4.816) 5.883 12.606 ( 0.401 -0.000 -1.096) 1.167 13.210 ( -8.629 0.000 -2.862) 9.091 13.301 ( -1.747 0.000 1.942) 2.612 13.466 ( -7.731 0.000 4.175) 8.786 13.570 ( 8.376 -0.000 0.572) 8.395 13.754 ( 0.373 -0.000 3.978) 3.996 14.000 ( -12.157 0.000 24.637) 27.473 14.337 ( -10.488 0.000 -3.449) 11.041 14.398 ( -9.916 0.000 9.281) 13.582 14.839 ( -8.881 0.000 -1.734) 9.049 17.114 ( 5.159 -0.000 3.949) 6.497 17.333 ( 7.270 -0.000 -2.766) 7.778 17.724 ( 55.015 -0.000 -93.654) 108.617 18.033 ( 1.910 -0.000 -0.721) 2.041 20.833 ( -9.613 0.000 12.546) 15.806 21.208 ( 2.628 -0.000 -6.021) 6.570 21.389 ( 0.370 -0.000 13.784) 13.789 21.464 ( -12.669 0.000 21.417) 24.884 21.543 ( -0.957 0.000 8.637) 8.690 21.903 ( -0.499 0.000 0.133) 0.517 22.841 ( 0.521 -0.000 -0.685) 0.861 22.853 ( 1.609 -0.000 0.455) 1.673 23.019 ( -5.360 0.000 -13.562) 14.583 23.368 ( -1.246 0.000 -3.494) 3.709 23.438 ( 4.035 -0.000 10.097) 10.874 23.644 ( -0.715 0.000 4.412) 4.470 23.926 ( 0.539 -0.000 -2.240) 2.304 24.013 ( -1.181 0.000 -2.411) 2.685 24.166 ( -1.752 0.000 -5.030) 5.327 25.137 ( 13.588 -0.000 -19.027) 23.380 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 24.586 -8.738 3.774) 26.365 1.064 ( 18.708 -13.757 12.725) 26.480 1.452 ( 9.871 -12.067 17.382) 23.349 1.634 ( 0.957 -9.006 3.326) 9.649 1.952 ( 0.629 -8.383 1.475) 8.535 2.113 ( -0.687 -17.443 1.418) 17.514 2.278 ( -6.464 -3.659 2.158) 7.735 2.493 ( -0.192 -10.031 3.183) 10.526 2.566 ( -2.681 -8.324 1.936) 8.957 2.827 ( 6.809 -3.210 -1.573) 7.691 2.876 ( 0.744 -2.209 1.784) 2.935 3.117 ( -3.004 -1.763 -11.898) 12.397 3.263 ( 6.170 -1.318 4.706) 7.871 3.273 ( -1.651 4.776 0.970) 5.145 3.311 ( -2.048 3.036 -1.821) 4.090 3.601 ( -8.408 2.792 8.632) 12.369 3.617 ( -6.498 1.852 -7.831) 10.343 3.798 ( -7.338 2.942 -5.477) 9.618 3.849 ( -1.965 -0.098 0.277) 1.987 3.925 ( 1.281 -1.536 -3.900) 4.383 4.100 ( 1.021 0.289 2.344) 2.573 4.385 ( 3.484 0.395 -4.168) 5.447 4.437 ( 3.665 -4.273 2.583) 6.193 4.689 ( -8.186 -1.408 -5.800) 10.131 4.852 ( 6.401 -1.136 6.327) 9.072 4.949 ( 4.908 -1.911 1.054) 5.371 5.136 ( -2.892 2.099 -0.626) 3.628 5.178 ( -0.118 -0.132 1.990) 1.998 5.427 ( -3.956 3.823 -3.167) 6.347 5.466 ( -3.891 3.302 -2.933) 5.886 5.558 ( 2.146 7.482 -0.404) 7.794 5.747 ( -3.416 3.300 -0.762) 4.810 5.850 ( 3.125 -3.152 0.307) 4.449 5.930 ( 2.361 1.347 5.044) 5.730 5.972 ( 9.095 -0.726 1.071) 9.187 6.001 ( 0.359 0.686 -1.908) 2.059 6.372 ( 3.027 1.455 -3.797) 5.069 6.659 ( -10.959 -8.431 -5.418) 14.851 6.770 ( -5.593 1.822 -0.049) 5.882 7.056 ( 4.484 15.289 10.682) 19.183 7.635 ( -2.117 2.855 -5.851) 6.846 7.737 ( 2.533 0.219 -1.467) 2.935 7.951 ( -0.883 -1.960 -3.020) 3.706 8.036 ( 1.711 5.495 1.388) 5.920 8.039 ( 0.127 -4.690 2.550) 5.339 8.157 ( 0.852 1.571 -0.428) 1.838 8.328 ( 1.679 -1.723 4.547) 5.144 8.384 ( -3.918 -0.590 -3.967) 5.607 8.811 ( -9.264 -0.710 4.531) 10.337 9.238 ( -8.535 -1.497 1.842) 8.859 9.344 ( -3.975 -2.914 4.519) 6.687 9.726 ( 6.849 2.800 1.898) 7.638 9.783 ( 5.046 0.821 -2.049) 5.508 10.328 ( -5.801 -14.906 -2.189) 16.144 10.525 ( 5.954 -2.104 0.378) 6.327 10.587 ( -4.012 -3.346 5.282) 7.429 10.800 ( -3.938 -2.668 7.869) 9.195 10.980 ( -6.649 -9.144 2.128) 11.504 11.141 ( -11.039 -5.339 3.739) 12.820 11.181 ( -0.609 -1.460 -0.528) 1.668 11.364 ( 8.553 1.091 -13.324) 15.871 11.603 ( 5.374 4.464 0.837) 7.036 11.826 ( 0.288 2.325 -0.987) 2.542 12.104 ( -2.644 0.346 -0.938) 2.827 12.251 ( 4.103 2.694 5.246) 7.184 12.535 ( 3.971 5.457 2.425) 7.171 12.573 ( 4.568 0.497 3.358) 5.691 13.065 ( -7.079 4.196 -3.281) 8.859 13.251 ( -3.615 10.981 7.467) 13.763 13.389 ( -4.443 -4.618 -2.310) 6.812 13.570 ( 4.242 8.758 3.280) 10.269 13.768 ( -1.448 2.102 5.108) 5.710 13.974 ( 0.709 0.260 2.393) 2.510 14.161 ( -3.163 -0.222 -5.528) 6.373 14.478 ( -10.871 -7.502 3.373) 13.633 14.967 ( -17.588 -16.809 0.224) 24.330 16.978 ( 23.374 23.895 -8.326) 34.447 17.221 ( 12.940 1.875 -2.955) 13.405 17.836 ( 7.154 -5.546 -27.866) 29.299 18.061 ( 1.863 -1.429 -0.220) 2.358 20.758 ( -3.355 4.523 6.306) 8.455 21.232 ( 4.337 -1.604 -4.064) 6.156 21.419 ( -1.156 1.509 5.363) 5.690 21.432 ( -2.293 2.641 9.984) 10.579 21.647 ( 3.628 -3.565 11.024) 12.141 22.017 ( -12.171 -6.213 -1.503) 13.747 22.803 ( 0.466 1.424 -1.539) 2.148 22.975 ( -0.665 -6.855 0.738) 6.926 23.037 ( -5.618 -13.737 -10.953) 18.445 23.340 ( -2.873 -1.544 -4.842) 5.838 23.552 ( 3.271 -3.300 8.212) 9.436 23.675 ( -0.482 -0.875 5.393) 5.485 23.908 ( 0.820 1.084 -3.203) 3.479 23.981 ( -1.615 0.536 -3.083) 3.521 24.102 ( -1.362 1.648 -6.150) 6.511 24.866 ( 17.193 24.726 -1.193) 30.140 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 21.821 -6.838 2.888) 23.049 1.472 ( 2.327 -12.516 7.941) 15.004 1.783 ( 3.086 -12.688 2.098) 13.226 1.891 ( 5.282 -14.528 12.448) 19.847 2.181 ( -3.108 -11.664 -0.628) 12.087 2.264 ( -0.220 -5.678 2.211) 6.097 2.447 ( -7.713 -10.241 5.093) 13.795 2.709 ( -3.802 -12.452 1.945) 13.164 2.779 ( 0.462 -10.764 -2.112) 10.979 2.887 ( -2.086 -1.661 5.288) 5.922 3.000 ( 3.236 -0.460 3.667) 4.912 3.041 ( 0.148 0.819 -12.683) 12.711 3.157 ( -4.670 2.568 -3.380) 6.311 3.284 ( 6.102 -1.683 0.704) 6.369 3.429 ( -1.562 -4.983 0.897) 5.299 3.467 ( 1.671 2.917 -6.394) 7.224 3.579 ( -3.676 -4.717 -3.037) 6.707 3.680 ( -0.804 -3.069 4.466) 5.478 3.837 ( -3.424 -0.678 -2.692) 4.408 3.952 ( 6.718 2.623 3.716) 8.113 4.117 ( -1.987 -0.275 4.542) 4.965 4.343 ( 1.836 4.245 -4.384) 6.373 4.528 ( -2.721 -1.307 -0.460) 3.054 4.643 ( -2.611 -1.605 -1.073) 3.247 4.919 ( 1.325 0.842 3.649) 3.973 5.034 ( -2.916 -3.629 -0.296) 4.665 5.078 ( 4.675 0.293 -0.963) 4.782 5.174 ( 0.070 1.666 -0.145) 1.673 5.289 ( -5.100 4.628 -1.408) 7.029 5.400 ( -2.815 1.312 1.481) 3.440 5.430 ( 5.637 6.555 -3.543) 9.343 5.673 ( -0.562 0.942 -2.540) 2.767 5.868 ( 3.288 4.157 2.553) 5.883 5.880 ( -0.483 5.990 1.446) 6.181 5.998 ( 4.933 2.229 -4.396) 6.974 6.088 ( -1.564 -7.894 -0.923) 8.100 6.346 ( 3.135 1.712 -4.658) 5.870 6.632 ( -10.422 -2.272 -5.950) 12.214 6.707 ( -2.042 2.521 3.851) 5.035 6.936 ( 4.709 7.127 6.906) 10.984 7.560 ( -2.679 0.172 -4.429) 5.179 7.738 ( 4.049 2.344 -0.641) 4.722 7.888 ( -0.035 5.048 -0.206) 5.053 7.905 ( 1.300 8.626 1.153) 8.799 8.133 ( 1.676 0.747 -3.789) 4.210 8.187 ( -1.094 -6.743 0.767) 6.874 8.306 ( -3.862 0.843 0.694) 4.013 8.387 ( -3.114 0.698 1.958) 3.744 8.794 ( -4.936 -3.789 -1.028) 6.307 9.231 ( -4.376 -2.579 2.206) 5.538 9.434 ( -2.494 -5.175 6.657) 8.794 9.718 ( 8.171 5.182 0.800) 9.709 9.775 ( 3.966 2.618 -0.826) 4.823 10.482 ( -1.021 -6.144 -5.903) 8.581 10.599 ( 1.423 -4.004 4.142) 5.934 10.661 ( -0.715 -1.884 5.067) 5.453 10.877 ( -2.618 -5.205 3.884) 7.003 11.062 ( -0.166 -3.073 -1.573) 3.457 11.180 ( -10.227 -6.902 -6.252) 13.831 11.230 ( 0.998 -3.447 0.241) 3.597 11.391 ( 0.353 -5.002 -2.820) 5.753 11.559 ( 2.198 4.124 4.119) 6.230 11.758 ( -1.276 3.479 0.169) 3.710 12.051 ( -4.330 1.410 -0.328) 4.566 12.251 ( 6.839 4.408 1.987) 8.376 12.443 ( 1.303 5.920 -0.112) 6.063 12.612 ( 4.096 4.001 2.891) 6.414 12.967 ( -1.104 0.143 3.649) 3.815 13.080 ( -3.477 7.455 3.878) 9.094 13.341 ( -6.135 7.788 1.613) 10.044 13.474 ( 4.442 0.317 -3.216) 5.493 13.728 ( -1.115 1.889 1.691) 2.770 14.045 ( 3.356 -4.425 -2.799) 6.220 14.163 ( -2.799 -3.230 -3.766) 5.696 14.531 ( -9.110 -5.875 1.688) 10.971 15.108 ( -14.666 -13.101 0.112) 19.665 16.732 ( 20.193 18.848 -5.228) 28.113 17.272 ( 8.393 2.078 -0.503) 8.661 17.795 ( -1.946 -0.301 -10.775) 10.954 18.108 ( 1.514 -1.875 -0.115) 2.413 20.693 ( -1.218 3.200 3.466) 4.872 21.264 ( 4.203 1.552 -1.074) 4.607 21.387 ( -3.695 -0.307 1.059) 3.856 21.467 ( 2.634 -0.689 4.470) 5.234 21.781 ( 1.967 -1.014 9.980) 10.222 21.963 ( -5.481 0.570 -0.202) 5.515 22.780 ( -1.029 -0.330 -2.592) 2.808 23.082 ( -4.506 -8.835 -5.425) 11.305 23.230 ( -3.493 -12.341 -1.982) 12.978 23.337 ( -2.713 -3.707 -4.252) 6.260 23.682 ( 1.076 -3.956 5.535) 6.888 23.715 ( -0.834 -0.939 4.421) 4.596 23.859 ( 0.457 2.691 -4.032) 4.869 23.947 ( -0.969 -0.081 -2.101) 2.315 24.039 ( 0.179 1.098 -4.959) 5.082 24.576 ( 13.906 21.467 3.664) 25.838 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 5.945 2.306 3.927) 7.489 1.756 ( 6.343 -11.803 0.898) 13.430 2.051 ( -0.062 -5.542 -4.184) 6.944 2.160 ( 5.648 -4.957 9.553) 12.154 2.285 ( -3.168 -5.167 4.766) 7.711 2.425 ( 3.063 -5.117 1.907) 6.261 2.592 ( -5.210 -10.181 5.971) 12.901 2.762 ( -7.144 -1.800 -5.684) 9.305 2.890 ( -0.175 2.067 -0.831) 2.234 2.970 ( -5.475 3.310 2.168) 6.755 2.998 ( -1.031 -11.902 0.428) 11.955 3.010 ( 1.813 -2.065 -9.627) 10.012 3.095 ( -1.442 -4.016 1.313) 4.465 3.221 ( -8.670 4.868 -2.191) 10.182 3.408 ( 6.815 -2.832 -1.821) 7.601 3.554 ( 1.227 0.478 -1.915) 2.323 3.656 ( -6.239 -6.743 -1.806) 9.363 3.821 ( 0.591 -2.965 -3.142) 4.360 3.976 ( 5.447 3.844 6.116) 9.048 4.016 ( 16.590 -11.677 7.032) 21.472 4.118 ( -2.389 2.329 9.444) 10.016 4.238 ( 1.640 3.167 -5.720) 6.740 4.467 ( -5.458 0.481 -3.879) 6.714 4.625 ( 0.530 3.290 0.582) 3.383 4.943 ( -0.468 -2.535 0.344) 2.601 4.990 ( -4.950 1.183 -6.328) 8.120 5.122 ( 0.569 3.151 0.192) 3.208 5.173 ( 3.023 -0.475 0.489) 3.098 5.208 ( -7.032 -2.677 5.669) 9.421 5.354 ( 1.202 -0.486 -3.973) 4.179 5.399 ( 2.652 0.538 -1.045) 2.901 5.647 ( -2.354 2.046 -3.191) 4.462 5.753 ( 1.232 8.055 5.014) 9.568 5.850 ( 7.689 2.759 -1.615) 8.327 5.952 ( 0.434 1.413 -0.470) 1.551 6.193 ( -4.081 -5.848 -1.395) 7.266 6.306 ( 1.689 1.935 -5.409) 5.988 6.544 ( -7.382 0.137 -2.830) 7.907 6.690 ( -0.380 0.361 4.183) 4.216 6.913 ( 5.943 3.759 4.420) 8.306 7.531 ( -2.928 -1.817 -2.886) 4.495 7.712 ( 3.302 3.324 0.240) 4.691 7.770 ( 1.456 6.844 0.833) 7.046 7.811 ( 0.731 3.622 0.833) 3.788 8.115 ( 2.196 0.004 -4.901) 5.370 8.223 ( -5.154 1.608 0.871) 5.469 8.294 ( -3.834 -1.292 1.397) 4.281 8.344 ( -2.896 -2.619 -1.427) 4.158 8.847 ( 0.801 -3.016 -0.149) 3.124 9.255 ( -3.849 -2.953 -1.004) 4.954 9.508 ( -1.261 0.013 4.420) 4.597 9.693 ( 4.766 3.616 0.245) 5.987 9.772 ( 5.679 2.099 2.612) 6.594 10.503 ( -3.866 -2.772 -4.684) 6.677 10.677 ( -1.672 -0.710 5.619) 5.905 10.763 ( 5.842 -3.610 3.521) 7.718 10.956 ( -1.075 -3.042 -1.505) 3.560 11.096 ( 2.159 -0.380 -1.642) 2.739 11.143 ( -3.577 -0.962 -6.328) 7.332 11.299 ( -3.124 -1.816 4.733) 5.955 11.472 ( 3.874 -4.660 -8.243) 10.231 11.548 ( -0.560 1.352 4.465) 4.699 11.751 ( -6.141 -6.628 5.097) 10.374 11.991 ( -4.143 1.303 2.102) 4.825 12.197 ( 6.599 7.573 -4.303) 10.927 12.369 ( 2.359 2.714 0.479) 3.628 12.555 ( -0.625 3.370 2.410) 4.190 12.886 ( -9.308 6.567 -2.420) 11.646 13.067 ( 2.745 -1.129 10.652) 11.058 13.224 ( 6.995 1.737 -2.805) 7.734 13.485 ( 4.189 2.522 -1.288) 5.056 13.710 ( -0.169 -0.682 -0.760) 1.035 14.104 ( -4.652 -1.968 0.191) 5.054 14.184 ( -1.488 -3.499 -3.869) 5.425 14.577 ( -2.773 -4.683 -0.271) 5.449 15.215 ( -11.501 -10.063 0.836) 15.305 16.547 ( 13.448 14.420 -1.992) 19.818 17.274 ( 4.134 3.204 -0.273) 5.237 17.740 ( -3.691 -1.254 -4.027) 5.605 18.146 ( 0.910 -0.991 -0.031) 1.346 20.652 ( -0.391 2.033 1.782) 2.731 21.234 ( 1.139 3.116 0.803) 3.413 21.380 ( -2.466 -1.597 -2.857) 4.098 21.523 ( 2.566 -0.479 2.356) 3.516 21.832 ( 1.194 0.105 7.320) 7.417 21.935 ( 1.221 1.987 2.004) 3.075 22.774 ( -1.830 -1.937 -2.623) 3.739 23.164 ( -5.719 -8.121 -7.542) 12.472 23.346 ( -3.124 -4.344 -1.433) 5.539 23.432 ( 0.213 -8.074 -0.253) 8.081 23.726 ( -1.671 0.118 2.423) 2.945 23.750 ( -0.929 0.257 -0.113) 0.970 23.816 ( 0.479 -1.043 0.057) 1.149 23.946 ( -0.106 -0.599 -0.114) 0.619 24.010 ( 0.824 0.506 -3.187) 3.330 24.329 ( 9.226 17.675 4.174) 20.370 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.586 9.422 1.433) 9.875 1.884 ( -1.208 7.665 -6.350) 10.027 1.979 ( 4.154 3.919 0.318) 5.719 2.260 ( -0.192 -3.378 2.040) 3.951 2.421 ( 4.281 -0.419 9.165) 10.124 2.475 ( 0.180 2.971 -0.522) 3.022 2.699 ( -1.127 0.770 -2.226) 2.611 2.738 ( -2.612 -3.396 0.616) 4.328 2.814 ( -0.026 2.224 -4.390) 4.921 2.946 ( -2.581 -4.207 3.001) 5.776 3.008 ( 0.427 -6.173 -9.688) 11.495 3.075 ( -9.425 2.002 -2.240) 9.892 3.170 ( -0.312 -0.977 0.066) 1.028 3.245 ( -0.450 -8.062 9.193) 12.236 3.465 ( 6.942 1.325 -8.257) 10.868 3.519 ( 1.208 2.268 0.869) 2.713 3.665 ( -6.644 -3.324 2.225) 7.755 3.862 ( 1.901 6.227 -0.025) 6.511 3.930 ( 1.322 2.063 3.903) 4.608 4.102 ( 1.833 2.599 8.571) 9.142 4.200 ( 3.539 2.227 -2.416) 4.829 4.263 ( 9.892 1.314 -1.105) 10.039 4.434 ( -6.469 -3.297 -0.873) 7.313 4.601 ( 1.279 -0.517 -0.638) 1.520 4.891 ( -7.425 -0.191 -3.282) 8.120 4.956 ( 2.783 0.430 -2.958) 4.084 5.106 ( 1.891 0.174 2.745) 3.338 5.156 ( -2.479 -1.582 -3.433) 4.520 5.302 ( 2.927 -1.412 6.780) 7.518 5.358 ( -5.316 -1.031 -0.588) 5.446 5.455 ( 3.548 -4.662 -4.915) 7.647 5.548 ( -3.393 2.884 1.247) 4.624 5.625 ( 0.304 5.543 -0.512) 5.574 5.898 ( 8.272 -0.094 -0.561) 8.292 5.980 ( 0.273 -1.742 6.700) 6.928 6.212 ( -3.577 -1.996 -0.320) 4.109 6.276 ( -2.683 -1.950 -6.549) 7.341 6.470 ( -3.173 2.749 -1.230) 4.375 6.737 ( -0.862 -3.875 3.344) 5.191 6.938 ( 7.137 2.037 3.522) 8.215 7.547 ( -2.087 -3.294 -1.290) 4.107 7.690 ( 1.061 1.654 1.815) 2.675 7.708 ( 1.742 0.864 -1.235) 2.304 7.771 ( 2.037 1.402 0.671) 2.562 8.129 ( -7.857 -1.945 -3.647) 8.878 8.144 ( 2.714 -0.458 0.384) 2.779 8.280 ( -3.606 -1.264 -1.198) 4.005 8.403 ( 1.502 -2.666 0.579) 3.115 8.886 ( 1.786 0.228 -1.436) 2.303 9.276 ( -4.456 -4.415 -2.296) 6.680 9.468 ( 1.293 5.101 3.309) 6.216 9.657 ( 0.720 2.862 -0.739) 3.042 9.800 ( 5.350 2.740 3.314) 6.864 10.469 ( -7.794 -1.127 -5.014) 9.336 10.720 ( 2.889 -0.142 5.816) 6.495 10.804 ( 3.848 6.174 2.934) 7.844 10.984 ( 0.092 -2.238 0.303) 2.260 11.038 ( -1.539 1.031 -8.135) 8.343 11.189 ( -1.418 -3.724 3.268) 5.153 11.277 ( -3.546 1.522 0.739) 3.929 11.545 ( 4.139 -1.263 -3.030) 5.283 11.566 ( 3.653 -2.132 -1.096) 4.370 11.904 ( -3.786 -9.081 3.194) 10.344 11.973 ( -3.284 -1.600 6.102) 7.112 12.059 ( 2.128 6.932 -5.914) 9.357 12.379 ( 4.950 0.788 -0.042) 5.012 12.516 ( -1.552 1.203 1.621) 2.546 12.696 ( -7.847 2.529 -3.477) 8.947 13.113 ( -2.017 -1.224 3.743) 4.424 13.356 ( 19.410 -0.235 -2.101) 19.525 13.443 ( -0.021 1.464 2.053) 2.521 13.735 ( 2.242 -1.046 -1.793) 3.056 14.068 ( -7.971 -0.315 1.906) 8.202 14.192 ( -4.988 -1.429 -2.457) 5.740 14.666 ( 4.029 -4.272 -1.211) 5.996 15.298 ( -8.486 -7.243 1.831) 11.307 16.398 ( 6.133 9.717 -0.327) 11.496 17.226 ( 0.326 3.535 -0.269) 3.561 17.751 ( -2.795 -4.142 -0.046) 4.997 18.155 ( 0.303 0.584 0.053) 0.661 20.628 ( -0.087 0.797 0.243) 0.838 21.197 ( -0.205 1.393 0.418) 1.468 21.359 ( -2.078 0.030 -3.425) 4.006 21.552 ( 1.506 0.056 1.541) 2.156 21.824 ( 0.964 6.623 3.136) 7.391 21.996 ( 5.336 -5.772 3.899) 8.774 22.787 ( -1.046 -1.600 -1.289) 2.306 23.202 ( -5.434 -5.305 -8.062) 11.076 23.381 ( -1.347 -2.094 -0.474) 2.534 23.547 ( 2.334 -1.568 -0.079) 2.813 23.694 ( -3.570 0.820 -1.836) 4.098 23.745 ( 0.847 -0.825 2.589) 2.846 23.850 ( -2.548 -1.164 0.997) 2.974 23.954 ( 0.356 0.722 0.757) 1.105 23.990 ( 0.716 0.024 -2.262) 2.373 24.140 ( 4.384 10.169 4.025) 11.782 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -5.606 15.995 -0.633) 16.960 1.535 ( -3.516 20.465 -5.750) 21.547 1.867 ( 1.519 13.474 -1.326) 13.624 2.240 ( 1.968 13.500 3.256) 14.026 2.348 ( 3.331 7.374 2.253) 8.399 2.441 ( -1.370 0.825 -1.185) 1.991 2.685 ( 2.545 3.926 0.653) 4.724 2.748 ( 0.470 -1.365 -3.004) 3.333 2.807 ( -1.526 -5.048 -0.847) 5.341 2.910 ( -6.197 5.221 -3.525) 8.837 3.013 ( -1.168 0.901 0.553) 1.576 3.040 ( -0.848 7.117 0.355) 7.176 3.193 ( 0.545 -8.228 -0.626) 8.270 3.243 ( -1.794 8.297 0.499) 8.503 3.465 ( 1.304 4.548 -0.419) 4.750 3.540 ( 1.265 4.291 3.292) 5.554 3.622 ( -0.857 -5.963 -2.958) 6.711 3.838 ( 5.453 -3.728 2.386) 7.023 3.921 ( 0.299 2.924 3.311) 4.427 4.128 ( 5.034 3.344 8.448) 10.387 4.211 ( -2.674 -4.179 -0.067) 4.962 4.252 ( 6.375 3.711 -3.840) 8.316 4.375 ( -6.941 2.916 -4.377) 8.709 4.621 ( -0.751 -1.994 -0.664) 2.231 4.816 ( -4.553 0.917 -2.621) 5.333 5.019 ( 4.322 -4.251 -0.518) 6.085 5.113 ( 4.267 2.349 -2.168) 5.332 5.216 ( -4.071 -6.563 1.770) 7.923 5.311 ( -3.299 -1.636 -1.437) 3.953 5.334 ( 1.136 6.320 5.324) 8.342 5.415 ( 0.962 0.710 0.570) 1.324 5.595 ( -0.438 -3.399 -2.526) 4.257 5.625 ( -2.352 -5.660 -0.252) 6.134 5.962 ( 5.774 0.049 -0.522) 5.798 6.072 ( 0.922 -0.917 10.236) 10.319 6.226 ( -0.830 1.416 -6.810) 7.005 6.263 ( -2.394 -4.762 1.518) 5.542 6.372 ( -3.486 0.818 -3.596) 5.075 6.835 ( -0.348 -4.709 1.055) 4.838 6.977 ( 4.794 1.541 2.589) 5.662 7.602 ( -1.300 -3.696 -0.212) 3.924 7.694 ( -0.799 -2.291 2.820) 3.720 7.742 ( 1.300 -3.923 -3.289) 5.282 7.830 ( 3.335 -3.926 1.884) 5.485 8.083 ( -4.412 -0.867 -0.098) 4.497 8.215 ( 1.408 -2.300 -0.499) 2.742 8.275 ( -0.949 -1.259 -1.452) 2.143 8.461 ( 1.978 -1.600 0.874) 2.690 8.845 ( -0.490 2.678 -3.990) 4.830 9.316 ( -3.494 -3.491 0.331) 4.950 9.432 ( 4.664 1.292 1.324) 5.017 9.589 ( -1.865 3.645 -0.620) 4.141 9.767 ( 1.644 5.380 1.496) 5.821 10.375 ( -6.452 0.950 -3.737) 7.517 10.686 ( 0.682 5.636 0.310) 5.686 10.796 ( 4.304 2.475 8.370) 9.731 10.932 ( 0.059 3.893 -8.549) 9.394 11.054 ( -0.625 -3.135 1.816) 3.677 11.221 ( -1.105 1.524 -0.532) 1.956 11.245 ( -2.852 -1.996 2.716) 4.415 11.559 ( 2.824 1.888 -2.646) 4.306 11.657 ( 1.557 -5.893 1.226) 6.217 11.919 ( 3.797 5.102 -1.533) 6.542 11.998 ( -1.166 -2.361 0.241) 2.644 12.114 ( 0.114 -8.201 3.548) 8.936 12.373 ( 1.468 2.622 -1.418) 3.323 12.476 ( -2.211 2.518 -0.410) 3.376 12.682 ( -2.389 -7.894 -2.550) 8.633 13.158 ( -0.013 -3.271 1.507) 3.601 13.354 ( 1.938 2.860 -1.947) 3.966 13.587 ( 12.881 -2.638 2.242) 13.338 13.746 ( 1.351 0.607 -2.599) 2.992 14.030 ( -3.040 0.118 2.754) 4.104 14.129 ( -8.784 0.322 -1.463) 8.911 14.754 ( 4.663 -0.747 -1.146) 4.859 15.368 ( -3.379 -5.019 1.614) 6.262 16.284 ( -1.225 4.842 0.593) 5.029 17.154 ( -1.512 3.207 -0.132) 3.548 17.840 ( -1.349 -6.278 2.171) 6.778 18.133 ( 0.049 1.857 0.122) 1.862 20.626 ( 0.082 -0.802 -0.741) 1.095 21.190 ( -0.536 -0.671 0.919) 1.258 21.316 ( -1.043 1.029 -3.314) 3.623 21.564 ( 0.946 0.888 1.867) 2.273 21.690 ( -0.776 7.484 -1.123) 7.608 22.231 ( 8.244 -9.752 5.396) 13.863 22.796 ( -0.413 -0.403 -0.074) 0.582 23.189 ( -2.260 -1.229 -5.721) 6.273 23.397 ( -0.456 -0.628 -0.085) 0.780 23.507 ( 1.810 7.016 -1.251) 7.353 23.633 ( -3.823 0.593 -1.768) 4.253 23.760 ( -0.080 3.139 -0.394) 3.164 23.850 ( -0.627 -2.431 2.563) 3.588 23.942 ( -2.330 0.086 0.017) 2.332 24.025 ( 1.624 -2.647 -0.813) 3.210 24.056 ( -0.754 3.164 3.197) 4.561 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 19.237 -0.000) 19.237 1.055 ( -0.000 26.165 -0.000) 26.165 1.453 ( -0.000 29.666 -0.000) 29.666 1.907 ( -0.000 20.610 -0.000) 20.610 2.291 ( -0.000 5.435 -0.000) 5.435 2.340 ( -0.000 6.363 -0.000) 6.363 2.519 ( -0.000 14.138 -0.000) 14.138 2.720 ( -0.000 8.440 -0.000) 8.440 2.802 ( -0.000 9.675 -0.000) 9.675 2.818 ( -0.000 1.711 -0.000) 1.711 2.868 ( -0.000 11.180 -0.000) 11.180 2.971 ( 0.000 -10.357 0.000) 10.357 3.103 ( -0.000 3.759 -0.000) 3.759 3.325 ( 0.000 -4.743 0.000) 4.743 3.359 ( -0.000 2.709 -0.000) 2.709 3.635 ( 0.000 -9.608 0.000) 9.608 3.708 ( -0.000 0.390 -0.000) 0.390 3.883 ( 0.000 -0.267 0.000) 0.267 3.944 ( 0.000 -2.595 0.000) 2.595 4.114 ( -0.000 9.418 -0.000) 9.418 4.220 ( -0.000 2.425 -0.000) 2.425 4.236 ( 0.000 -2.880 0.000) 2.880 4.290 ( 0.000 -3.214 0.000) 3.214 4.687 ( 0.000 -5.547 0.000) 5.547 4.766 ( -0.000 1.653 -0.000) 1.653 5.045 ( -0.000 6.876 -0.000) 6.876 5.148 ( 0.000 -4.064 0.000) 4.064 5.213 ( -0.000 1.042 -0.000) 1.042 5.287 ( 0.000 -4.045 0.000) 4.045 5.407 ( 0.000 -5.489 0.000) 5.489 5.501 ( 0.000 -8.139 0.000) 8.139 5.660 ( 0.000 -0.917 0.000) 0.917 5.681 ( 0.000 -5.958 0.000) 5.958 5.969 ( -0.000 1.465 -0.000) 1.465 6.063 ( -0.000 11.608 -0.000) 11.608 6.089 ( -0.000 1.397 -0.000) 1.397 6.308 ( -0.000 0.153 -0.000) 0.153 6.498 ( 0.000 -13.324 0.000) 13.324 6.888 ( 0.000 -0.699 0.000) 0.699 6.980 ( -0.000 0.986 -0.000) 0.986 7.637 ( 0.000 -1.285 0.000) 1.285 7.811 ( 0.000 -7.458 0.000) 7.458 7.815 ( 0.000 -3.873 0.000) 3.873 7.953 ( 0.000 -6.032 0.000) 6.032 8.079 ( 0.000 -0.073 0.000) 0.073 8.183 ( -0.000 5.636 -0.000) 5.636 8.295 ( 0.000 -0.846 0.000) 0.846 8.499 ( 0.000 -0.791 0.000) 0.791 8.781 ( -0.000 1.533 -0.000) 1.533 9.360 ( 0.000 -2.869 0.000) 2.869 9.474 ( -0.000 6.372 -0.000) 6.372 9.509 ( 0.000 -5.108 0.000) 5.108 9.688 ( -0.000 2.500 -0.000) 2.500 10.324 ( -0.000 0.332 -0.000) 0.332 10.613 ( -0.000 2.279 -0.000) 2.279 10.768 ( -0.000 6.521 -0.000) 6.521 10.809 ( -0.000 4.708 -0.000) 4.708 11.113 ( 0.000 -2.632 0.000) 2.632 11.196 ( -0.000 0.799 -0.000) 0.799 11.262 ( 0.000 -0.987 0.000) 0.987 11.536 ( -0.000 0.259 -0.000) 0.259 11.777 ( 0.000 -4.606 0.000) 4.606 11.890 ( -0.000 0.862 -0.000) 0.862 12.046 ( 0.000 -3.278 0.000) 3.278 12.251 ( 0.000 -3.864 0.000) 3.864 12.300 ( -0.000 4.838 -0.000) 4.838 12.420 ( -0.000 0.198 -0.000) 0.198 12.874 ( 0.000 -13.421 0.000) 13.421 13.251 ( 0.000 -5.658 0.000) 5.658 13.314 ( -0.000 1.508 -0.000) 1.508 13.693 ( 0.000 -0.596 0.000) 0.596 13.695 ( -0.000 3.112 -0.000) 3.112 13.964 ( -0.000 7.835 -0.000) 7.835 14.126 ( 0.000 -5.939 0.000) 5.939 14.731 ( -0.000 5.107 -0.000) 5.107 15.451 ( 0.000 -4.009 0.000) 4.009 16.211 ( -0.000 1.300 -0.000) 1.300 17.092 ( -0.000 2.397 -0.000) 2.397 17.961 ( 0.000 -5.754 0.000) 5.754 18.098 ( -0.000 1.629 -0.000) 1.629 20.653 ( 0.000 -2.146 0.000) 2.146 21.221 ( 0.000 -2.256 0.000) 2.256 21.278 ( -0.000 1.107 -0.000) 1.107 21.536 ( -0.000 7.485 -0.000) 7.485 21.554 ( -0.000 1.540 -0.000) 1.540 22.509 ( 0.000 -11.880 0.000) 11.880 22.800 ( 0.000 -0.463 0.000) 0.463 23.177 ( -0.000 0.489 -0.000) 0.489 23.342 ( -0.000 8.167 -0.000) 8.167 23.398 ( -0.000 0.182 -0.000) 0.182 23.616 ( 0.000 -0.438 0.000) 0.438 23.691 ( -0.000 3.499 -0.000) 3.499 23.849 ( -0.000 6.706 -0.000) 6.706 23.904 ( 0.000 -1.818 0.000) 1.818 24.026 ( -0.000 0.026 -0.000) 0.026 24.111 ( 0.000 -4.503 0.000) 4.503 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 16.420 -0.000 15.135) 22.331 1.205 ( 30.108 -0.000 3.563) 30.318 1.342 ( -5.409 0.000 8.103) 9.742 1.599 ( -4.680 0.000 1.433) 4.895 1.802 ( -5.549 0.000 -5.010) 7.476 2.139 ( 23.897 -0.000 16.187) 28.864 2.205 ( -7.014 0.000 6.862) 9.813 2.444 ( -5.834 0.000 2.581) 6.380 2.469 ( 8.166 -0.000 5.762) 9.994 2.846 ( -5.085 0.000 3.962) 6.446 2.853 ( 8.507 -0.000 -3.657) 9.260 2.955 ( -6.343 0.000 -14.334) 15.675 3.208 ( -9.592 0.000 -5.792) 11.206 3.337 ( -3.511 0.000 -2.651) 4.400 3.365 ( 10.511 -0.000 4.390) 11.391 3.587 ( -6.197 0.000 0.983) 6.275 3.631 ( -8.488 0.000 10.104) 13.196 3.735 ( -1.221 0.000 -9.433) 9.512 3.848 ( -2.862 0.000 -1.044) 3.046 3.890 ( 2.048 -0.000 1.507) 2.543 4.139 ( 1.171 -0.000 4.058) 4.223 4.367 ( 6.067 -0.000 -9.339) 11.137 4.427 ( -0.270 0.000 3.760) 3.770 4.540 ( -10.638 0.000 -9.486) 14.253 4.931 ( 6.019 -0.000 7.373) 9.518 5.009 ( 5.774 -0.000 4.409) 7.265 5.167 ( -2.509 0.000 3.455) 4.270 5.178 ( 2.994 -0.000 0.182) 2.999 5.397 ( -5.039 0.000 -6.176) 7.971 5.440 ( -4.943 0.000 -3.728) 6.191 5.608 ( -0.001 0.000 -9.142) 9.142 5.788 ( 2.285 -0.000 -1.183) 2.573 5.793 ( -2.603 0.000 3.745) 4.561 5.963 ( 3.675 -0.000 -1.452) 3.951 6.067 ( 2.724 -0.000 5.625) 6.250 6.109 ( 10.036 -0.000 6.287) 11.843 6.406 ( -11.386 0.000 -6.605) 13.163 6.414 ( 1.552 -0.000 -2.447) 2.898 6.714 ( -6.090 0.000 -1.717) 6.327 7.325 ( 1.506 -0.000 6.052) 6.236 7.639 ( -0.818 0.000 -3.429) 3.526 7.785 ( 5.863 -0.000 -0.886) 5.930 7.836 ( -0.335 0.000 -2.951) 2.970 8.037 ( -1.717 0.000 3.191) 3.624 8.083 ( -2.752 0.000 0.791) 2.864 8.193 ( 3.011 -0.000 -2.596) 3.976 8.330 ( -4.053 0.000 -4.355) 5.949 8.333 ( 3.370 -0.000 4.728) 5.806 8.723 ( -13.819 0.000 2.193) 13.992 9.104 ( -10.438 0.000 2.027) 10.633 9.343 ( -2.774 0.000 10.363) 10.728 9.795 ( 2.422 -0.000 9.489) 9.793 9.810 ( 4.787 -0.000 -5.276) 7.124 10.137 ( 1.147 -0.000 1.841) 2.169 10.536 ( -3.514 0.000 2.743) 4.457 10.566 ( 4.096 -0.000 2.839) 4.983 10.789 ( -2.561 0.000 6.099) 6.615 10.901 ( 2.107 -0.000 -0.051) 2.108 11.064 ( -6.650 0.000 1.812) 6.892 11.151 ( -2.368 0.000 2.222) 3.247 11.363 ( 5.657 -0.000 -11.678) 12.976 11.720 ( 9.168 -0.000 -0.906) 9.213 11.849 ( 1.179 -0.000 -1.618) 2.002 12.066 ( -4.375 0.000 -3.021) 5.317 12.360 ( 5.129 -0.000 7.533) 9.114 12.627 ( 3.719 -0.000 -0.541) 3.758 12.646 ( 6.295 -0.000 7.278) 9.622 13.024 ( -8.307 0.000 -4.657) 9.524 13.278 ( -0.421 0.000 -3.285) 3.312 13.374 ( -7.857 0.000 4.999) 9.313 13.715 ( 7.877 -0.000 0.335) 7.884 13.816 ( 0.611 -0.000 5.382) 5.416 14.041 ( -2.424 0.000 4.514) 5.123 14.061 ( -13.752 0.000 -7.079) 15.467 14.318 ( -7.488 0.000 5.217) 9.126 14.617 ( -14.257 0.000 -1.711) 14.359 17.274 ( 7.551 -0.000 4.506) 8.793 17.445 ( 8.554 -0.000 -2.842) 9.014 17.648 ( 19.146 -0.000 -38.588) 43.077 18.064 ( 2.321 -0.000 -0.638) 2.407 20.798 ( -4.361 0.000 3.468) 5.572 21.215 ( 3.655 -0.000 -3.023) 4.743 21.479 ( -3.882 0.000 7.748) 8.667 21.536 ( -1.122 0.000 12.315) 12.366 21.647 ( -0.160 0.000 12.260) 12.262 21.929 ( 2.469 -0.000 4.614) 5.233 22.770 ( -3.203 0.000 -16.125) 16.440 22.853 ( -0.685 0.000 0.255) 0.731 22.899 ( 1.930 -0.000 1.239) 2.293 23.254 ( -5.075 0.000 -7.207) 8.815 23.594 ( 3.254 -0.000 7.623) 8.288 23.694 ( -0.603 0.000 5.798) 5.829 23.911 ( 1.429 -0.000 -3.158) 3.466 23.954 ( -1.753 0.000 -3.661) 4.059 24.066 ( -1.390 0.000 -7.655) 7.780 25.171 ( 5.464 -0.000 -5.343) 7.643 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 6.090 -9.280 11.986) 16.336 1.486 ( 15.669 -0.386 0.969) 15.704 1.590 ( 6.968 -10.006 -3.271) 12.624 1.690 ( 1.668 -20.337 15.564) 25.664 1.866 ( -5.745 -12.563 -3.710) 14.304 2.220 ( -3.071 -2.725 5.277) 6.686 2.347 ( 5.545 0.442 9.313) 10.848 2.482 ( -2.121 -7.404 0.981) 7.764 2.647 ( 1.917 -4.325 0.243) 4.737 2.840 ( -5.109 -3.277 2.791) 6.681 2.913 ( -2.429 -4.180 -8.908) 10.135 2.985 ( 8.193 -7.958 3.192) 11.859 3.091 ( -7.354 0.644 -4.871) 8.844 3.284 ( -1.345 -1.257 -3.013) 3.531 3.408 ( 0.362 5.744 -3.863) 6.931 3.552 ( 5.073 1.077 3.880) 6.477 3.567 ( -3.360 3.288 2.194) 5.188 3.656 ( -1.528 2.856 -0.329) 3.256 3.788 ( -0.416 -1.727 -3.055) 3.534 4.010 ( 3.318 -4.014 6.429) 8.274 4.147 ( 0.587 1.234 3.886) 4.119 4.385 ( 2.436 2.089 -7.205) 7.887 4.427 ( -9.136 -3.298 -7.565) 12.311 4.508 ( 0.197 -7.626 3.909) 8.571 5.002 ( 0.637 3.280 4.614) 5.697 5.027 ( -0.238 0.707 5.093) 5.147 5.147 ( 5.592 2.762 -0.959) 6.310 5.184 ( -0.280 1.806 -1.545) 2.393 5.289 ( -6.510 2.389 -3.365) 7.707 5.405 ( -0.662 -0.312 -1.595) 1.755 5.532 ( -0.094 2.327 -9.771) 10.044 5.701 ( 0.553 4.552 -0.144) 4.588 5.872 ( 0.476 -4.934 -0.410) 4.974 5.989 ( 4.412 0.983 1.152) 4.664 6.041 ( -0.399 7.214 2.593) 7.676 6.134 ( 3.797 5.152 0.885) 6.460 6.352 ( -0.223 -3.142 -1.787) 3.621 6.430 ( -6.573 -3.449 -5.173) 9.048 6.683 ( -4.187 -1.326 0.624) 4.436 7.228 ( 4.276 11.559 6.185) 13.789 7.574 ( 0.664 3.872 -1.969) 4.394 7.800 ( 5.193 0.509 -1.656) 5.474 7.916 ( 0.752 -2.213 -2.458) 3.392 8.037 ( -3.218 -1.684 1.956) 4.125 8.048 ( -0.252 0.884 -0.347) 0.983 8.168 ( 2.490 3.168 -1.750) 4.393 8.274 ( -4.159 0.012 -2.438) 4.821 8.399 ( -1.732 -0.266 3.843) 4.224 8.631 ( -9.783 -3.934 -3.998) 11.277 9.120 ( -6.635 -5.765 4.184) 9.734 9.403 ( -1.247 -2.194 11.816) 12.083 9.782 ( 2.865 2.538 -7.265) 8.212 9.912 ( 6.694 -0.652 7.821) 10.315 10.260 ( -1.395 -11.349 -0.163) 11.436 10.533 ( -3.651 -1.221 1.403) 4.098 10.632 ( -0.545 -3.470 4.038) 5.352 10.802 ( -2.573 -1.729 2.653) 4.080 10.956 ( 2.412 -3.725 -2.404) 5.047 11.023 ( -5.545 -1.223 -1.080) 5.780 11.192 ( 1.545 -2.326 5.697) 6.344 11.350 ( 3.171 -0.486 -7.391) 8.057 11.731 ( 6.512 5.850 1.281) 8.847 11.819 ( 0.299 3.241 -1.933) 3.785 12.005 ( -5.933 -0.428 -3.144) 6.728 12.407 ( 5.996 3.375 6.368) 9.375 12.589 ( 4.222 7.137 -1.224) 8.382 12.734 ( 4.711 2.274 4.157) 6.682 12.930 ( -4.059 -1.163 -0.957) 4.330 13.237 ( -5.468 7.799 4.821) 10.675 13.328 ( -0.082 -4.555 -1.363) 4.755 13.614 ( -2.997 13.070 -0.097) 13.409 13.796 ( 0.905 3.756 2.032) 4.365 13.963 ( 1.495 -4.508 -3.992) 6.204 14.057 ( -3.492 -2.129 -3.760) 5.556 14.341 ( -7.987 -5.992 2.518) 10.298 14.695 ( -14.543 -16.385 0.620) 21.917 17.211 ( 13.279 16.258 -3.895) 21.350 17.402 ( 10.853 3.687 -2.728) 11.782 17.683 ( 0.662 -3.369 -13.682) 14.106 18.091 ( 1.874 -1.220 -0.330) 2.261 20.753 ( -2.265 2.560 2.371) 4.160 21.258 ( 3.406 -2.259 -3.136) 5.152 21.443 ( -2.285 4.748 4.710) 7.068 21.529 ( 1.111 1.772 7.390) 7.680 21.771 ( -3.353 -3.456 8.880) 10.102 22.003 ( 5.839 0.021 9.960) 11.545 22.755 ( -2.821 -3.567 -10.212) 11.179 22.793 ( -4.813 -3.665 -6.796) 9.099 23.030 ( 0.410 -8.643 1.862) 8.851 23.206 ( -3.713 -3.541 -6.318) 8.139 23.675 ( 2.314 -1.739 6.127) 6.776 23.719 ( -1.136 -0.436 4.183) 4.356 23.887 ( 0.236 2.014 -3.362) 3.926 23.925 ( -0.571 -0.360 -2.250) 2.349 24.017 ( 0.025 -0.008 -6.850) 6.850 25.036 ( 6.201 15.021 -0.443) 16.256 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.128 -5.762 3.206) 6.595 1.653 ( 13.375 -8.503 5.015) 16.624 1.853 ( 7.261 -8.850 -1.906) 11.605 2.043 ( -5.559 -11.091 -0.192) 12.407 2.203 ( 6.309 -17.437 16.104) 24.560 2.305 ( -3.050 -7.645 -0.072) 8.231 2.447 ( 2.101 -4.267 9.447) 10.577 2.604 ( -6.466 -4.478 -3.421) 8.577 2.685 ( -4.330 -11.280 -5.381) 13.227 2.884 ( -2.172 -4.727 -11.921) 13.007 2.907 ( -3.194 -0.041 2.005) 3.771 3.001 ( -5.553 -0.556 -4.783) 7.350 3.089 ( -1.380 4.191 10.619) 11.499 3.285 ( -3.765 4.589 -3.386) 6.834 3.360 ( 1.232 0.186 -8.924) 9.011 3.460 ( 5.008 -5.307 -0.442) 7.310 3.577 ( 0.327 -2.339 3.170) 3.953 3.767 ( -2.198 -2.701 -0.886) 3.594 3.908 ( 9.255 -9.926 2.009) 13.719 4.119 ( 4.702 0.498 8.398) 9.637 4.180 ( 3.244 -0.510 6.073) 6.904 4.296 ( 1.711 2.454 -2.676) 4.014 4.409 ( -2.094 -1.731 -5.967) 6.556 4.666 ( 1.373 -4.407 3.045) 5.530 4.901 ( -4.337 3.919 0.931) 5.919 4.986 ( -2.435 4.556 -2.834) 5.893 5.105 ( -5.868 0.375 -3.833) 7.019 5.187 ( 2.606 -0.894 2.620) 3.802 5.199 ( -1.105 2.274 2.110) 3.293 5.356 ( -3.608 2.673 1.793) 4.835 5.436 ( 1.446 1.856 -10.694) 10.950 5.703 ( 6.106 2.275 -0.274) 6.522 5.879 ( -0.752 5.588 -0.170) 5.641 5.934 ( 2.063 -1.022 -0.189) 2.310 6.033 ( 2.618 3.032 -1.052) 4.142 6.056 ( -0.599 0.199 1.686) 1.800 6.330 ( -2.188 3.266 -7.431) 8.406 6.446 ( -4.408 -4.697 2.413) 6.879 6.682 ( -2.609 -0.916 1.494) 3.143 7.111 ( 5.751 8.406 4.862) 11.286 7.504 ( -0.393 2.597 -1.435) 2.993 7.812 ( 4.086 3.516 -0.294) 5.399 7.879 ( -0.460 2.145 0.067) 2.195 7.941 ( 2.676 7.646 -0.477) 8.115 8.112 ( 1.592 2.036 -4.091) 4.839 8.172 ( -1.488 -7.295 0.713) 7.479 8.214 ( -5.821 0.806 -1.635) 6.099 8.325 ( -5.737 3.679 2.625) 7.303 8.703 ( -3.092 -9.850 -4.311) 11.188 9.198 ( -1.819 -2.915 3.508) 4.910 9.508 ( -0.711 -2.448 10.340) 10.650 9.708 ( 0.354 1.614 -7.534) 7.713 9.978 ( 10.756 5.004 5.797) 13.204 10.422 ( -0.833 -3.069 -2.808) 4.242 10.566 ( -7.124 -8.913 2.031) 11.590 10.725 ( 0.545 -4.818 3.713) 6.107 10.873 ( -1.904 -6.128 1.651) 6.627 10.993 ( -3.085 -3.176 -4.108) 6.040 11.053 ( 1.385 -4.540 -4.665) 6.655 11.279 ( -0.745 -0.933 8.004) 8.092 11.384 ( 5.622 -3.808 -5.734) 8.887 11.652 ( 2.176 6.485 2.608) 7.320 11.721 ( -3.791 3.928 -0.065) 5.460 11.965 ( -3.805 -0.839 -0.622) 3.946 12.393 ( 5.968 8.823 -0.324) 10.657 12.461 ( 2.234 4.665 0.440) 5.192 12.655 ( -0.527 6.384 0.650) 6.438 12.943 ( -2.693 4.339 1.213) 5.248 13.123 ( -3.016 2.620 6.974) 8.038 13.314 ( 3.545 3.263 0.379) 4.833 13.519 ( 4.887 -3.450 -3.373) 6.868 13.728 ( -0.094 4.250 -0.175) 4.254 14.018 ( -6.003 -1.721 0.202) 6.248 14.067 ( -0.699 -4.589 -4.894) 6.745 14.427 ( -3.423 -7.728 -0.385) 8.461 14.887 ( -10.958 -14.560 1.204) 18.262 16.972 ( 12.881 18.506 -3.056) 22.754 17.393 ( 5.889 4.627 -0.630) 7.516 17.649 ( -4.588 -1.501 -5.040) 6.979 18.130 ( 1.134 -1.505 -0.125) 1.888 20.702 ( -0.800 2.548 1.681) 3.155 21.301 ( 3.118 -0.856 -4.058) 5.188 21.349 ( -3.141 4.357 3.950) 6.667 21.553 ( 1.392 0.324 2.060) 2.507 21.826 ( -0.963 -2.417 6.113) 6.644 22.091 ( 7.083 4.946 10.962) 13.957 22.685 ( -4.663 -1.681 -6.468) 8.149 22.878 ( -6.303 -11.204 -9.717) 16.115 23.194 ( -2.409 -8.094 -0.471) 8.458 23.277 ( 0.702 -7.824 -1.262) 7.956 23.724 ( -1.532 0.316 1.238) 1.995 23.747 ( 0.759 -1.231 3.781) 4.048 23.830 ( 0.111 1.674 -2.384) 2.915 23.931 ( -0.132 -0.864 0.386) 0.955 23.998 ( 1.085 -0.486 -4.436) 4.592 24.769 ( 5.779 18.889 2.010) 19.856 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 1.561 6.610 2.623) 7.281 1.907 ( 7.393 -4.258 0.964) 8.585 1.998 ( -1.696 -5.568 -2.897) 6.501 2.139 ( -2.900 -5.088 1.081) 5.955 2.415 ( -3.022 -6.817 -3.859) 8.396 2.529 ( 7.714 -2.232 14.234) 16.343 2.639 ( 2.036 -6.050 3.360) 7.213 2.646 ( -1.554 -5.927 4.883) 7.835 2.827 ( -4.273 -3.322 -11.416) 12.634 2.849 ( -1.430 -3.049 -4.092) 5.300 2.880 ( -4.122 -5.979 -4.859) 8.738 2.967 ( -3.545 5.747 1.371) 6.890 3.059 ( -1.258 -7.557 -1.791) 7.868 3.207 ( -0.008 -0.561 5.825) 5.852 3.452 ( 3.071 -7.222 -4.062) 8.836 3.499 ( -1.913 -0.387 -3.273) 3.811 3.606 ( -1.723 1.688 2.012) 3.140 3.876 ( 5.621 -5.674 3.270) 8.630 4.042 ( -4.776 -6.030 -7.487) 10.734 4.138 ( 2.845 5.506 4.721) 7.791 4.223 ( 0.999 2.430 9.981) 10.321 4.360 ( 2.729 1.511 -7.721) 8.327 4.409 ( 5.985 -2.106 5.614) 8.472 4.654 ( 1.820 6.268 0.379) 6.538 4.832 ( -4.531 2.310 -3.681) 6.279 4.937 ( 1.096 -5.823 0.858) 5.987 5.066 ( -6.207 -3.561 -4.298) 8.347 5.159 ( 1.076 1.295 3.303) 3.708 5.225 ( 0.624 -0.459 -0.752) 1.080 5.310 ( -3.573 0.477 2.021) 4.133 5.422 ( 1.493 -3.172 -4.332) 5.573 5.607 ( 0.476 7.061 -0.427) 7.090 5.823 ( 1.280 8.608 1.959) 8.920 5.946 ( 4.447 0.621 -3.484) 5.683 5.991 ( 1.832 -1.643 5.612) 6.128 6.123 ( -2.151 -4.104 0.180) 4.637 6.198 ( -4.150 2.450 -7.026) 8.520 6.490 ( -0.433 -0.573 1.388) 1.563 6.688 ( -1.483 -1.199 1.167) 2.236 7.058 ( 3.970 4.068 2.605) 6.253 7.479 ( -0.870 -1.577 -1.024) 2.072 7.746 ( 0.354 3.733 0.320) 3.763 7.803 ( 1.153 6.890 0.413) 6.998 7.861 ( 4.592 4.003 0.803) 6.145 8.037 ( -6.024 2.267 -4.099) 7.631 8.150 ( -0.398 -1.478 -1.002) 1.829 8.246 ( -2.795 2.080 1.841) 3.941 8.319 ( 0.062 -6.889 -0.334) 6.897 8.834 ( -0.706 -6.480 -1.753) 6.750 9.214 ( -0.595 0.401 0.114) 0.726 9.558 ( -0.090 1.581 6.485) 6.676 9.663 ( -0.874 0.031 -4.982) 5.058 9.978 ( 7.856 6.362 3.845) 10.816 10.387 ( -4.326 0.377 -2.671) 5.098 10.704 ( -1.512 -7.085 3.537) 8.062 10.866 ( 2.741 -5.581 2.062) 6.551 10.931 ( 0.623 -0.180 -1.467) 1.604 11.008 ( -3.290 -1.173 -3.859) 5.205 11.126 ( 2.159 -3.919 -1.925) 4.871 11.280 ( -4.194 1.570 4.856) 6.605 11.505 ( 9.004 -4.826 -8.315) 13.172 11.591 ( 0.026 2.796 2.595) 3.815 11.684 ( -7.535 -6.701 4.766) 11.153 11.964 ( -1.110 -1.118 1.354) 2.077 12.206 ( 0.804 10.227 -3.176) 10.739 12.460 ( 5.578 1.792 0.570) 5.887 12.543 ( -3.131 4.081 1.349) 5.318 12.757 ( -3.401 9.085 -0.455) 9.711 13.097 ( -2.057 0.210 1.733) 2.698 13.432 ( 8.671 -4.950 3.263) 10.504 13.556 ( 6.262 5.688 -1.476) 8.587 13.694 ( -0.846 -3.213 -1.574) 3.676 13.985 ( -6.740 -1.235 0.156) 6.854 14.098 ( -3.571 -2.543 -2.080) 4.852 14.565 ( 1.207 -7.932 -0.827) 8.066 15.060 ( -6.256 -11.279 1.003) 12.937 16.713 ( 6.359 16.733 -0.737) 17.916 17.325 ( 1.893 5.641 -0.300) 5.957 17.644 ( -2.946 -3.639 -1.393) 4.885 18.158 ( 0.416 -0.649 -0.013) 0.771 20.660 ( -0.187 2.180 0.703) 2.298 21.252 ( 0.246 4.124 0.396) 4.150 21.326 ( -0.920 -0.811 -1.318) 1.800 21.563 ( 0.503 -0.173 0.424) 0.680 21.936 ( 2.028 -5.274 4.888) 7.471 22.019 ( 2.454 9.871 3.007) 10.607 22.706 ( -1.643 -4.931 -2.471) 5.755 22.978 ( -4.513 -8.808 -5.777) 11.459 23.296 ( -1.228 -5.331 -0.612) 5.504 23.450 ( 0.878 -8.691 0.308) 8.740 23.697 ( -1.290 1.515 -0.083) 1.991 23.761 ( 0.034 0.503 0.843) 0.983 23.824 ( 0.191 -0.727 0.086) 0.756 23.950 ( -0.091 -0.990 0.571) 1.147 23.997 ( 0.659 0.182 -1.549) 1.694 24.467 ( 3.131 17.912 1.702) 18.263 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.000 13.707 -0.000) 13.707 1.830 ( -0.000 12.848 -0.000) 12.848 2.027 ( -0.000 2.427 -0.000) 2.427 2.290 ( 0.000 -9.316 0.000) 9.316 2.430 ( -0.000 3.607 -0.000) 3.607 2.547 ( -0.000 7.258 -0.000) 7.258 2.713 ( 0.000 -1.484 0.000) 1.484 2.715 ( 0.000 -2.977 0.000) 2.977 2.801 ( -0.000 5.088 -0.000) 5.088 2.880 ( 0.000 -6.351 0.000) 6.351 2.935 ( 0.000 -0.588 0.000) 0.588 2.989 ( 0.000 -9.942 0.000) 9.942 3.173 ( 0.000 -1.385 0.000) 1.385 3.280 ( 0.000 -2.618 0.000) 2.618 3.466 ( 0.000 -2.986 0.000) 2.986 3.531 ( -0.000 3.741 -0.000) 3.741 3.637 ( 0.000 -6.919 0.000) 6.919 3.944 ( -0.000 13.395 -0.000) 13.395 3.955 ( -0.000 0.445 -0.000) 0.445 4.147 ( 0.000 -4.319 0.000) 4.319 4.210 ( -0.000 1.111 -0.000) 1.111 4.291 ( -0.000 3.043 -0.000) 3.043 4.435 ( -0.000 3.903 -0.000) 3.903 4.599 ( 0.000 -0.008 0.000) 0.008 4.786 ( 0.000 -0.263 0.000) 0.263 5.020 ( -0.000 0.122 -0.000) 0.122 5.069 ( 0.000 -4.947 0.000) 4.947 5.174 ( -0.000 2.329 -0.000) 2.329 5.264 ( 0.000 -1.417 0.000) 1.417 5.368 ( 0.000 -8.370 0.000) 8.370 5.457 ( -0.000 0.577 -0.000) 0.577 5.519 ( -0.000 0.302 -0.000) 0.302 5.634 ( -0.000 9.622 -0.000) 9.622 5.975 ( 0.000 -1.124 0.000) 1.124 6.084 ( 0.000 -4.087 0.000) 4.087 6.132 ( 0.000 -0.290 0.000) 0.290 6.178 ( 0.000 -3.608 0.000) 3.608 6.455 ( -0.000 4.645 -0.000) 4.645 6.737 ( 0.000 -4.636 0.000) 4.636 7.034 ( -0.000 1.717 -0.000) 1.717 7.522 ( 0.000 -3.349 0.000) 3.349 7.699 ( -0.000 1.683 -0.000) 1.683 7.721 ( -0.000 1.974 -0.000) 1.974 7.829 ( -0.000 1.682 -0.000) 1.682 7.997 ( 0.000 -3.662 0.000) 3.662 8.205 ( -0.000 0.485 -0.000) 0.485 8.210 ( 0.000 -3.485 0.000) 3.485 8.422 ( 0.000 -3.848 0.000) 3.848 8.881 ( -0.000 0.838 -0.000) 0.838 9.225 ( 0.000 -2.871 0.000) 2.871 9.525 ( -0.000 3.808 -0.000) 3.808 9.624 ( -0.000 2.043 -0.000) 2.043 9.905 ( -0.000 6.236 -0.000) 6.236 10.347 ( -0.000 0.489 -0.000) 0.489 10.791 ( -0.000 1.806 -0.000) 1.806 10.901 ( -0.000 1.749 -0.000) 1.749 10.927 ( -0.000 2.850 -0.000) 2.850 10.988 ( 0.000 -4.292 0.000) 4.292 11.198 ( 0.000 -2.861 0.000) 2.861 11.239 ( -0.000 1.502 -0.000) 1.502 11.580 ( 0.000 -1.186 0.000) 1.186 11.585 ( 0.000 -1.887 0.000) 1.887 11.877 ( 0.000 -12.471 0.000) 12.471 11.995 ( 0.000 -2.284 0.000) 2.284 12.030 ( -0.000 7.406 -0.000) 7.406 12.438 ( -0.000 3.597 -0.000) 3.597 12.507 ( 0.000 -0.797 0.000) 0.797 12.607 ( -0.000 3.781 -0.000) 3.781 13.108 ( 0.000 -1.819 0.000) 1.819 13.440 ( -0.000 5.466 -0.000) 5.466 13.604 ( 0.000 -4.134 0.000) 4.134 13.736 ( 0.000 -1.297 0.000) 1.297 13.980 ( 0.000 -2.096 0.000) 2.096 14.098 ( 0.000 -0.067 0.000) 0.067 14.706 ( 0.000 -5.852 0.000) 5.852 15.219 ( 0.000 -8.517 0.000) 8.517 16.460 ( -0.000 12.463 -0.000) 12.463 17.228 ( -0.000 5.009 -0.000) 5.009 17.720 ( 0.000 -5.855 0.000) 5.855 18.159 ( -0.000 0.751 -0.000) 0.751 20.629 ( -0.000 1.101 -0.000) 1.101 21.198 ( -0.000 1.707 -0.000) 1.707 21.320 ( -0.000 0.502 -0.000) 0.502 21.574 ( 0.000 -0.364 0.000) 0.364 21.847 ( -0.000 9.383 -0.000) 9.383 22.095 ( 0.000 -8.784 0.000) 8.784 22.768 ( 0.000 -2.543 0.000) 2.543 23.078 ( 0.000 -5.928 0.000) 5.928 23.366 ( 0.000 -2.741 0.000) 2.741 23.579 ( 0.000 -3.795 0.000) 3.795 23.639 ( -0.000 4.389 -0.000) 4.389 23.783 ( 0.000 -2.973 0.000) 2.973 23.821 ( -0.000 1.591 -0.000) 1.591 23.970 ( -0.000 2.335 -0.000) 2.335 23.977 ( 0.000 -1.905 0.000) 1.905 24.204 ( -0.000 11.282 -0.000) 11.282 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -6.514 0.000 10.599) 12.441 1.381 ( 4.169 -0.000 8.931) 9.856 1.474 ( -2.133 0.000 -7.440) 7.740 1.694 ( -0.857 0.000 -0.760) 1.146 1.744 ( 25.376 -0.000 5.465) 25.958 2.205 ( -1.009 0.000 3.906) 4.034 2.404 ( -3.189 0.000 4.674) 5.658 2.496 ( 5.883 -0.000 8.035) 9.958 2.580 ( -9.396 0.000 -4.095) 10.250 2.684 ( -4.279 0.000 -15.149) 15.741 2.889 ( -5.412 0.000 -3.659) 6.532 2.983 ( 10.553 -0.000 20.081) 22.685 3.070 ( 4.084 -0.000 -0.619) 4.131 3.235 ( -1.960 0.000 -5.074) 5.439 3.468 ( -7.015 0.000 -1.872) 7.260 3.503 ( 1.779 -0.000 -10.149) 10.304 3.620 ( -3.124 0.000 6.267) 7.003 3.716 ( 3.814 -0.000 0.402) 3.836 3.837 ( 8.352 -0.000 1.606) 8.505 3.951 ( -1.825 0.000 2.402) 3.016 4.196 ( -0.820 0.000 4.934) 5.002 4.267 ( -7.351 0.000 0.490) 7.368 4.393 ( 5.570 -0.000 -10.712) 12.074 4.457 ( -1.468 0.000 4.754) 4.976 5.023 ( -5.825 0.000 1.153) 5.937 5.067 ( 0.956 -0.000 5.073) 5.162 5.178 ( -7.966 0.000 -0.784) 8.005 5.242 ( 5.478 -0.000 -2.866) 6.183 5.300 ( 8.927 -0.000 -5.401) 10.433 5.340 ( -3.026 0.000 -1.415) 3.341 5.487 ( -0.984 0.000 -7.724) 7.786 5.777 ( -2.717 0.000 1.777) 3.247 5.809 ( 1.103 -0.000 -0.592) 1.252 6.067 ( 6.983 -0.000 1.360) 7.115 6.084 ( -6.509 0.000 0.756) 6.552 6.203 ( -2.779 0.000 -3.295) 4.311 6.273 ( 1.153 -0.000 5.025) 5.156 6.404 ( 2.056 -0.000 -4.081) 4.569 6.640 ( -1.911 0.000 0.726) 2.044 7.381 ( 0.087 -0.000 2.878) 2.880 7.642 ( 3.007 -0.000 -1.436) 3.332 7.829 ( 2.924 -0.000 -1.810) 3.438 7.858 ( 3.244 -0.000 -3.074) 4.469 8.015 ( -4.427 0.000 2.419) 5.044 8.061 ( 0.578 -0.000 2.475) 2.541 8.219 ( 3.973 -0.000 -3.403) 5.231 8.230 ( -3.182 0.000 -2.239) 3.891 8.369 ( -3.540 0.000 1.828) 3.984 8.493 ( -11.578 0.000 -2.269) 11.798 9.035 ( -2.169 0.000 4.890) 5.350 9.434 ( -1.247 0.000 11.299) 11.368 9.795 ( 1.584 -0.000 -6.928) 7.107 9.939 ( 1.207 -0.000 9.610) 9.686 10.193 ( 5.601 -0.000 -1.191) 5.726 10.520 ( -0.585 0.000 0.660) 0.882 10.577 ( -5.602 0.000 1.660) 5.843 10.798 ( -2.098 0.000 3.231) 3.853 10.900 ( 1.337 -0.000 -5.036) 5.211 10.986 ( -2.443 0.000 -1.109) 2.683 11.251 ( 6.863 -0.000 9.636) 11.831 11.333 ( 1.577 -0.000 -5.183) 5.417 11.820 ( -2.109 0.000 -1.784) 2.762 11.853 ( 1.293 -0.000 -1.645) 2.092 11.934 ( -1.132 0.000 -3.838) 4.002 12.514 ( 3.623 -0.000 5.539) 6.619 12.728 ( 6.960 -0.000 1.465) 7.112 12.830 ( 6.213 -0.000 5.405) 8.235 12.849 ( -5.427 0.000 -4.851) 7.279 13.220 ( -3.199 0.000 -0.548) 3.246 13.324 ( -2.360 0.000 1.280) 2.685 13.714 ( -11.544 0.000 -3.055) 11.941 13.875 ( 0.127 -0.000 4.049) 4.051 13.908 ( 9.648 -0.000 -3.975) 10.434 13.996 ( -2.764 0.000 -2.934) 4.031 14.284 ( -2.669 0.000 4.103) 4.894 14.348 ( -15.165 0.000 -0.590) 15.177 17.438 ( 6.568 -0.000 2.645) 7.080 17.535 ( 4.059 -0.000 -1.412) 4.297 17.571 ( 6.465 -0.000 -15.994) 17.251 18.092 ( 1.503 -0.000 -0.326) 1.537 20.766 ( -1.946 0.000 0.882) 2.136 21.255 ( 3.171 -0.000 -1.088) 3.353 21.493 ( -1.183 0.000 2.887) 3.120 21.576 ( -3.289 0.000 3.854) 5.067 21.781 ( 0.585 -0.000 11.165) 11.180 22.120 ( 7.495 -0.000 13.252) 15.225 22.554 ( -2.660 0.000 -13.247) 13.511 22.854 ( 0.035 -0.000 0.134) 0.138 22.861 ( -6.292 0.000 -6.578) 9.103 23.123 ( -0.487 0.000 -3.105) 3.143 23.712 ( 2.354 -0.000 5.821) 6.279 23.724 ( -1.174 0.000 2.749) 2.989 23.882 ( -1.778 0.000 -4.099) 4.468 23.913 ( 0.231 -0.000 0.101) 0.252 23.981 ( 1.233 -0.000 -7.044) 7.151 25.202 ( 2.171 -0.000 -1.315) 2.538 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.971 -6.720 10.169) 12.820 1.493 ( 4.364 -11.930 -8.516) 15.293 1.717 ( -3.095 -18.867 1.683) 19.193 1.881 ( 0.041 -18.197 4.778) 18.814 1.968 ( 19.911 0.902 4.297) 20.389 2.223 ( -1.071 -1.046 0.885) 1.739 2.452 ( -2.088 -4.102 -1.452) 4.827 2.461 ( -10.486 -2.074 1.397) 10.780 2.528 ( 2.850 -0.972 5.070) 5.897 2.682 ( -2.858 -5.853 -11.145) 12.909 2.849 ( -4.915 -2.287 -0.938) 5.501 3.027 ( 2.717 5.481 2.673) 6.676 3.180 ( -1.479 0.758 6.353) 6.567 3.254 ( 1.934 -1.787 2.472) 3.612 3.343 ( 2.039 0.501 -10.793) 10.995 3.515 ( -1.718 -2.164 -0.075) 2.764 3.582 ( 0.230 7.190 0.301) 7.199 3.667 ( -2.327 -2.743 0.656) 3.656 3.882 ( 3.804 -0.362 -0.886) 3.922 4.121 ( 4.974 -8.103 4.771) 10.638 4.216 ( 0.904 -1.470 5.360) 5.631 4.287 ( 0.203 -3.527 1.241) 3.745 4.360 ( 2.339 1.701 -7.483) 8.022 4.539 ( -2.571 -7.037 3.409) 8.232 4.958 ( -3.977 2.423 -0.020) 4.658 5.040 ( -4.000 4.338 -2.085) 6.258 5.095 ( -2.852 1.208 1.167) 3.310 5.220 ( 2.342 4.636 -1.473) 5.399 5.260 ( 3.703 1.543 -0.949) 4.122 5.382 ( -1.410 0.975 0.066) 1.716 5.420 ( -0.880 2.774 -5.636) 6.343 5.759 ( 5.491 -1.264 -0.588) 5.665 5.863 ( -2.401 -3.892 0.772) 4.638 5.973 ( -4.750 6.249 -0.729) 7.883 6.106 ( 5.588 2.051 0.906) 6.021 6.149 ( 0.224 3.513 -0.075) 3.521 6.282 ( -5.415 0.302 0.192) 5.427 6.401 ( 2.476 -0.575 -1.177) 2.802 6.649 ( -1.083 -1.211 0.704) 1.771 7.320 ( 1.387 7.247 2.055) 7.660 7.596 ( 1.877 5.505 -0.114) 5.817 7.835 ( 0.946 -1.362 -1.638) 2.331 7.928 ( 2.502 1.534 -1.701) 3.392 7.996 ( -3.670 -5.488 1.972) 6.890 8.070 ( 4.183 2.373 0.039) 4.809 8.190 ( -3.113 1.600 -1.607) 3.851 8.204 ( 1.973 3.367 -0.055) 3.903 8.345 ( -5.061 1.973 1.107) 5.543 8.452 ( -5.106 -8.505 -3.239) 10.435 9.118 ( -0.370 -5.867 3.186) 6.687 9.505 ( -0.402 -2.819 8.074) 8.561 9.728 ( 0.462 3.868 -6.171) 7.297 10.102 ( 4.152 -7.134 6.623) 10.583 10.258 ( 2.276 -5.037 -1.344) 5.689 10.466 ( -4.231 2.534 -1.371) 5.119 10.615 ( -2.912 -6.127 1.406) 6.928 10.794 ( -0.195 -0.736 0.855) 1.145 10.927 ( -1.839 -2.951 -2.262) 4.148 10.976 ( 0.956 -1.615 -1.135) 2.193 11.316 ( 0.444 0.461 0.228) 0.679 11.383 ( 8.407 -1.305 5.279) 10.012 11.709 ( -7.880 2.812 -4.576) 9.537 11.821 ( 1.219 4.734 -0.010) 4.889 11.924 ( 0.419 0.195 -0.707) 0.845 12.538 ( 2.435 2.175 2.769) 4.282 12.643 ( 2.046 11.573 -1.461) 11.843 12.760 ( 1.034 4.032 -0.819) 4.242 12.957 ( 1.098 -3.661 3.369) 5.095 13.197 ( -2.658 4.252 1.770) 5.317 13.350 ( 2.569 -6.032 0.717) 6.595 13.491 ( -5.791 8.153 -3.359) 10.550 13.842 ( 1.553 5.683 0.772) 5.941 13.961 ( -3.052 -0.066 -1.048) 3.227 13.986 ( 3.381 -2.155 -1.940) 4.454 14.251 ( -4.223 -6.689 -0.174) 7.913 14.525 ( -5.760 -16.404 1.250) 17.431 17.355 ( 6.886 13.395 -2.055) 15.201 17.511 ( 4.096 3.165 -1.057) 5.284 17.572 ( -2.744 -0.818 -3.069) 4.197 18.112 ( 0.744 -1.117 -0.128) 1.348 20.741 ( -0.766 1.561 0.566) 1.829 21.281 ( 1.591 -0.822 -0.979) 2.040 21.447 ( -1.018 4.632 1.660) 5.025 21.569 ( -0.725 -0.021 1.043) 1.271 21.831 ( 0.371 -0.130 5.931) 5.944 22.285 ( 9.022 -1.099 14.733) 17.310 22.568 ( -3.781 -6.297 -9.282) 11.836 22.626 ( -6.626 3.111 -8.876) 11.505 23.007 ( -1.474 -9.627 -1.087) 9.800 23.161 ( 0.856 -4.483 -0.339) 4.576 23.725 ( -0.759 0.167 0.874) 1.170 23.764 ( 1.647 -0.444 4.634) 4.938 23.834 ( -1.312 1.002 -3.839) 4.179 23.918 ( -0.628 -0.603 0.949) 1.288 23.971 ( 1.468 -0.709 -3.958) 4.280 25.098 ( 1.679 11.532 0.038) 11.653 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 -8.189 0.000) 8.189 1.759 ( 0.000 -13.742 0.000) 13.742 1.941 ( 0.000 -1.399 0.000) 1.399 2.077 ( 0.000 -1.437 0.000) 1.437 2.165 ( 0.000 -12.513 0.000) 12.513 2.406 ( 0.000 -22.094 0.000) 22.094 2.524 ( 0.000 -7.594 0.000) 7.594 2.544 ( 0.000 -6.119 0.000) 6.119 2.659 ( 0.000 -2.589 0.000) 2.589 2.705 ( 0.000 -6.095 0.000) 6.095 2.851 ( -0.000 0.066 -0.000) 0.066 2.945 ( -0.000 1.229 -0.000) 1.229 3.173 ( -0.000 11.704 -0.000) 11.704 3.205 ( 0.000 -1.330 0.000) 1.330 3.312 ( 0.000 -4.590 0.000) 4.590 3.501 ( -0.000 1.048 -0.000) 1.048 3.612 ( 0.000 -2.122 0.000) 2.122 3.756 ( 0.000 -8.991 0.000) 8.991 3.903 ( 0.000 -1.815 0.000) 1.815 4.259 ( -0.000 1.845 -0.000) 1.845 4.290 ( 0.000 -5.035 0.000) 5.035 4.293 ( -0.000 0.982 -0.000) 0.982 4.408 ( 0.000 -4.040 0.000) 4.040 4.711 ( 0.000 -12.378 0.000) 12.378 4.846 ( -0.000 9.097 -0.000) 9.097 4.896 ( -0.000 6.566 -0.000) 6.566 5.020 ( -0.000 3.115 -0.000) 3.115 5.230 ( -0.000 3.689 -0.000) 3.689 5.230 ( 0.000 -2.845 0.000) 2.845 5.334 ( -0.000 2.916 -0.000) 2.916 5.344 ( 0.000 -0.311 0.000) 0.311 5.775 ( -0.000 9.417 -0.000) 9.417 5.859 ( 0.000 -3.203 0.000) 3.203 5.940 ( 0.000 -4.408 0.000) 4.408 6.048 ( -0.000 7.065 -0.000) 7.065 6.122 ( -0.000 0.456 -0.000) 0.456 6.199 ( -0.000 3.388 -0.000) 3.388 6.452 ( 0.000 -3.078 0.000) 3.078 6.667 ( 0.000 -1.033 0.000) 1.033 7.190 ( -0.000 7.338 -0.000) 7.338 7.498 ( -0.000 4.401 -0.000) 4.401 7.840 ( -0.000 5.691 -0.000) 5.691 7.874 ( 0.000 -1.276 0.000) 1.276 8.000 ( -0.000 6.865 -0.000) 6.865 8.078 ( -0.000 5.656 -0.000) 5.656 8.136 ( -0.000 0.958 -0.000) 0.958 8.166 ( 0.000 -7.571 0.000) 7.571 8.291 ( -0.000 2.400 -0.000) 2.400 8.636 ( 0.000 -12.269 0.000) 12.269 9.213 ( 0.000 -2.270 0.000) 2.270 9.597 ( 0.000 -3.563 0.000) 3.563 9.629 ( -0.000 3.536 -0.000) 3.536 10.146 ( -0.000 5.318 -0.000) 5.318 10.385 ( -0.000 2.171 -0.000) 2.171 10.490 ( 0.000 -14.618 0.000) 14.618 10.745 ( 0.000 -8.011 0.000) 8.011 10.863 ( 0.000 -7.031 0.000) 7.031 10.943 ( 0.000 -0.468 0.000) 0.468 11.044 ( 0.000 -4.672 0.000) 4.672 11.310 ( -0.000 0.919 -0.000) 0.919 11.470 ( 0.000 -1.854 0.000) 1.854 11.604 ( -0.000 1.544 -0.000) 1.544 11.707 ( -0.000 6.860 -0.000) 6.860 11.935 ( 0.000 -1.345 0.000) 1.345 12.415 ( -0.000 12.277 -0.000) 12.277 12.515 ( -0.000 1.934 -0.000) 1.934 12.652 ( -0.000 7.195 -0.000) 7.195 12.926 ( -0.000 8.512 -0.000) 8.512 13.116 ( -0.000 2.669 -0.000) 2.669 13.382 ( 0.000 -3.020 0.000) 3.020 13.550 ( 0.000 -8.860 0.000) 8.860 13.723 ( -0.000 7.301 -0.000) 7.301 13.944 ( 0.000 -0.184 0.000) 0.184 14.032 ( 0.000 -2.478 0.000) 2.478 14.400 ( 0.000 -9.423 0.000) 9.423 14.795 ( 0.000 -14.446 0.000) 14.446 17.075 ( -0.000 18.273 -0.000) 18.273 17.443 ( -0.000 5.567 -0.000) 5.567 17.571 ( 0.000 -1.969 0.000) 1.969 18.140 ( 0.000 -1.387 0.000) 1.387 20.704 ( -0.000 2.221 -0.000) 2.221 21.301 ( 0.000 -1.033 0.000) 1.033 21.348 ( -0.000 5.560 -0.000) 5.560 21.565 ( -0.000 0.238 -0.000) 0.238 21.877 ( 0.000 -2.951 0.000) 2.951 22.263 ( -0.000 12.651 -0.000) 12.651 22.558 ( 0.000 -8.210 0.000) 8.210 22.755 ( 0.000 -11.024 0.000) 11.024 23.164 ( 0.000 -7.907 0.000) 7.907 23.287 ( 0.000 -8.340 0.000) 8.340 23.713 ( -0.000 0.835 -0.000) 0.835 23.781 ( -0.000 1.269 -0.000) 1.269 23.811 ( 0.000 -0.784 0.000) 0.784 23.934 ( 0.000 -0.890 0.000) 0.890 23.985 ( 0.000 -1.009 0.000) 1.009 24.827 ( -0.000 17.666 -0.000) 17.666 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 0.000 0.000) 0.000 1.404 ( 0.000 -0.000 -0.000) 0.000 1.439 ( 0.000 -0.000 0.000) 0.000 1.707 ( 0.000 -0.000 0.000) 0.000 2.115 ( 0.000 -0.000 0.000) 0.000 2.228 ( 0.000 -0.000 0.000) 0.000 2.328 ( 0.000 -0.000 0.000) 0.000 2.409 ( 0.000 -0.000 0.000) 0.000 2.554 ( 0.000 -0.000 0.000) 0.000 2.604 ( 0.000 -0.000 0.000) 0.000 2.788 ( 0.000 -0.000 0.000) 0.000 3.160 ( 0.000 -0.000 0.000) 0.000 3.184 ( 0.000 -0.000 0.000) 0.000 3.262 ( 0.000 -0.000 0.000) 0.000 3.360 ( 0.000 -0.000 -0.000) 0.000 3.373 ( 0.000 -0.000 -0.000) 0.000 3.637 ( 0.000 -0.000 0.000) 0.000 3.714 ( 0.000 -0.000 0.000) 0.000 3.901 ( -0.000 0.000 0.000) 0.000 4.052 ( 0.000 -0.000 0.000) 0.000 4.204 ( 0.000 -0.000 0.000) 0.000 4.242 ( 0.000 -0.000 0.000) 0.000 4.388 ( 0.000 -0.000 0.000) 0.000 4.460 ( 0.000 -0.000 0.000) 0.000 4.956 ( 0.000 -0.000 0.000) 0.000 5.060 ( 0.000 -0.000 0.000) 0.000 5.079 ( 0.000 -0.000 0.000) 0.000 5.285 ( -0.000 0.000 0.000) 0.000 5.310 ( 0.000 -0.000 -0.000) 0.000 5.379 ( 0.000 -0.000 0.000) 0.000 5.441 ( 0.000 -0.000 0.000) 0.000 5.758 ( 0.000 -0.000 0.000) 0.000 5.809 ( 0.000 -0.000 0.000) 0.000 6.008 ( 0.000 -0.000 0.000) 0.000 6.160 ( 0.000 -0.000 0.000) 0.000 6.176 ( 0.000 -0.000 0.000) 0.000 6.280 ( 0.000 -0.000 0.000) 0.000 6.405 ( 0.000 -0.000 0.000) 0.000 6.635 ( 0.000 -0.000 0.000) 0.000 7.399 ( 0.000 -0.000 0.000) 0.000 7.667 ( 0.000 -0.000 0.000) 0.000 7.849 ( 0.000 -0.000 0.000) 0.000 7.868 ( 0.000 -0.000 0.000) 0.000 7.967 ( 0.000 -0.000 0.000) 0.000 8.124 ( 0.000 -0.000 0.000) 0.000 8.185 ( 0.000 -0.000 0.000) 0.000 8.246 ( -0.000 0.000 0.000) 0.000 8.324 ( 0.000 -0.000 -0.000) 0.000 8.351 ( 0.000 -0.000 0.000) 0.000 9.059 ( 0.000 -0.000 0.000) 0.000 9.497 ( 0.000 -0.000 0.000) 0.000 9.757 ( 0.000 -0.000 -0.000) 0.000 10.001 ( 0.000 -0.000 0.000) 0.000 10.272 ( 0.000 -0.000 0.000) 0.000 10.493 ( 0.000 -0.000 0.000) 0.000 10.521 ( 0.000 -0.000 0.000) 0.000 10.795 ( 0.000 -0.000 0.000) 0.000 10.882 ( 0.000 -0.000 -0.000) 0.000 10.961 ( 0.000 -0.000 0.000) 0.000 11.317 ( 0.000 -0.000 -0.000) 0.000 11.453 ( 0.000 -0.000 0.000) 0.000 11.661 ( 0.000 -0.000 0.000) 0.000 11.855 ( 0.000 -0.000 0.000) 0.000 11.954 ( 0.000 -0.000 0.000) 0.000 12.577 ( 0.000 -0.000 0.000) 0.000 12.769 ( 0.000 -0.000 0.000) 0.000 12.821 ( 0.000 -0.000 0.000) 0.000 12.922 ( 0.000 -0.000 0.000) 0.000 13.185 ( 0.000 -0.000 0.000) 0.000 13.311 ( 0.000 -0.000 0.000) 0.000 13.565 ( 0.000 -0.000 0.000) 0.000 13.898 ( 0.000 -0.000 -0.000) 0.000 13.945 ( 0.000 -0.000 0.000) 0.000 14.051 ( 0.000 -0.000 0.000) 0.000 14.142 ( -0.000 0.000 0.000) 0.000 14.287 ( 0.000 -0.000 0.000) 0.000 17.529 ( 0.000 -0.000 0.000) 0.000 17.540 ( 0.000 -0.000 0.000) 0.000 17.545 ( -0.000 0.000 -0.000) 0.000 18.104 ( 0.000 -0.000 0.000) 0.000 20.754 ( 0.000 -0.000 0.000) 0.000 21.281 ( 0.000 -0.000 0.000) 0.000 21.499 ( 0.000 -0.000 0.000) 0.000 21.559 ( 0.000 -0.000 0.000) 0.000 21.858 ( 0.000 -0.000 0.000) 0.000 22.329 ( 0.000 -0.000 0.000) 0.000 22.448 ( 0.000 -0.000 0.000) 0.000 22.683 ( 0.000 -0.000 0.000) 0.000 22.855 ( 0.000 -0.000 0.000) 0.000 23.122 ( 0.000 -0.000 0.000) 0.000 23.726 ( 0.000 -0.000 0.000) 0.000 23.792 ( 0.000 -0.000 0.000) 0.000 23.816 ( 0.000 -0.000 -0.000) 0.000 23.910 ( 0.000 -0.000 0.000) 0.000 23.962 ( 0.000 -0.000 0.000) 0.000 25.214 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 11.050 -0.000 22.514) 25.080 0.572 ( -18.251 0.000 29.213) 34.446 0.847 ( 18.327 -0.000 42.798) 46.557 1.488 ( -0.916 0.000 2.233) 2.414 1.921 ( -1.682 0.000 1.913) 2.547 2.198 ( -0.601 0.000 9.953) 9.971 2.237 ( -4.601 0.000 -7.309) 8.637 2.440 ( 11.968 -0.000 -11.051) 16.289 2.540 ( -4.887 0.000 5.450) 7.320 2.626 ( -3.255 0.000 -1.629) 3.640 2.864 ( 0.174 -0.000 4.653) 4.656 3.129 ( 3.329 -0.000 4.314) 5.449 3.177 ( -5.340 0.000 -10.444) 11.730 3.346 ( 0.980 -0.000 -2.260) 2.464 3.378 ( 1.586 -0.000 -1.910) 2.483 3.640 ( 6.714 -0.000 2.196) 7.064 3.769 ( -2.507 0.000 2.761) 3.730 3.911 ( 0.229 -0.000 -3.744) 3.751 3.951 ( -3.474 0.000 -2.996) 4.587 4.049 ( 4.770 -0.000 -9.477) 10.610 4.107 ( -5.832 0.000 2.137) 6.212 4.221 ( -10.519 0.000 -1.919) 10.693 4.362 ( 2.427 -0.000 1.692) 2.958 4.664 ( 2.337 -0.000 3.580) 4.275 4.844 ( -0.574 0.000 0.982) 1.138 4.915 ( -4.978 0.000 4.455) 6.680 5.140 ( -1.285 0.000 -5.547) 5.694 5.268 ( -2.492 0.000 -2.207) 3.329 5.530 ( 5.054 -0.000 0.932) 5.139 5.554 ( -3.193 0.000 1.664) 3.600 5.641 ( -1.451 0.000 3.724) 3.996 5.698 ( 0.093 -0.000 -4.157) 4.158 5.738 ( 1.188 -0.000 -3.072) 3.294 5.861 ( -0.127 0.000 0.185) 0.224 5.914 ( 2.531 -0.000 -0.492) 2.579 6.126 ( -10.165 0.000 6.256) 11.936 6.380 ( -1.288 0.000 5.624) 5.770 6.565 ( 32.317 -0.000 -5.309) 32.750 6.813 ( 11.166 -0.000 -4.955) 12.216 6.905 ( 7.171 -0.000 -2.751) 7.681 7.682 ( -0.554 0.000 -2.313) 2.378 7.793 ( -4.429 0.000 -4.798) 6.530 7.854 ( 0.277 -0.000 -2.761) 2.775 8.012 ( 1.816 -0.000 1.027) 2.086 8.058 ( 3.803 -0.000 -6.406) 7.450 8.066 ( -0.349 0.000 4.203) 4.217 8.281 ( -0.221 0.000 4.750) 4.755 8.454 ( -3.126 0.000 -2.937) 4.289 9.131 ( 4.186 -0.000 13.663) 14.290 9.383 ( -2.693 0.000 2.513) 3.683 9.652 ( 4.987 -0.000 0.636) 5.028 9.671 ( -0.915 0.000 1.339) 1.621 9.753 ( -20.088 0.000 -2.609) 20.257 10.131 ( 7.217 -0.000 -1.597) 7.391 10.348 ( -1.749 0.000 2.016) 2.669 10.613 ( 1.078 -0.000 -0.168) 1.091 10.820 ( 4.766 -0.000 -4.013) 6.230 11.060 ( 10.695 -0.000 -9.660) 14.412 11.152 ( 1.279 -0.000 -1.452) 1.935 11.293 ( -7.510 0.000 0.601) 7.534 11.673 ( -7.121 0.000 8.034) 10.736 11.693 ( -41.741 0.000 2.044) 41.791 11.867 ( -1.705 0.000 1.965) 2.602 12.103 ( 1.930 -0.000 -1.816) 2.651 12.193 ( 2.149 -0.000 3.349) 3.979 12.466 ( 3.737 -0.000 2.606) 4.556 12.623 ( -2.363 0.000 0.840) 2.508 13.210 ( 10.776 -0.000 -10.207) 14.843 13.343 ( -6.180 0.000 0.333) 6.189 13.469 ( 2.707 -0.000 1.549) 3.118 13.510 ( 4.056 -0.000 -1.556) 4.344 13.713 ( 4.868 -0.000 -1.678) 5.149 14.040 ( 41.363 -0.000 3.281) 41.493 14.424 ( -2.036 0.000 -2.676) 3.363 14.736 ( 46.679 -0.000 3.246) 46.792 14.924 ( -2.394 0.000 -0.435) 2.433 16.480 ( -83.978 0.000 2.465) 84.014 16.953 ( 8.664 -0.000 -7.320) 11.343 17.374 ( -6.818 0.000 7.528) 10.157 17.977 ( 2.769 -0.000 -4.368) 5.171 20.978 ( -3.104 0.000 -1.183) 3.322 21.103 ( 3.149 -0.000 -6.635) 7.345 21.486 ( 1.932 -0.000 13.056) 13.198 21.537 ( 0.174 -0.000 3.229) 3.233 21.886 ( 1.336 -0.000 -2.346) 2.700 22.589 ( -49.575 0.000 -7.513) 50.141 22.829 ( 1.035 -0.000 -0.871) 1.353 22.899 ( -16.899 0.000 4.893) 17.593 23.039 ( -11.496 0.000 -10.867) 15.820 23.332 ( 1.381 -0.000 -4.904) 5.095 23.485 ( -0.666 0.000 9.626) 9.649 23.683 ( 0.645 -0.000 4.499) 4.545 23.891 ( 53.445 -0.000 -0.920) 53.453 23.916 ( -1.318 0.000 -1.890) 2.304 24.073 ( 27.259 -0.000 3.151) 27.440 24.213 ( -6.586 0.000 0.198) 6.589 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -1.962 -11.730 21.350) 24.439 0.966 ( 9.146 -21.481 16.342) 28.498 1.379 ( 18.770 -14.024 28.945) 37.240 1.667 ( 1.458 -13.909 6.940) 15.613 2.018 ( -5.769 -7.671 -4.132) 10.450 2.180 ( -4.702 -10.103 0.701) 11.166 2.334 ( 1.447 -5.258 4.318) 6.956 2.541 ( 6.307 -9.030 -8.365) 13.831 2.605 ( -0.828 -7.412 3.538) 8.254 2.664 ( -1.975 -6.071 -0.051) 6.384 2.900 ( 1.138 0.004 4.999) 5.127 3.067 ( -3.928 1.023 -11.322) 12.028 3.178 ( 5.160 1.137 3.113) 6.133 3.311 ( -0.301 1.139 -1.344) 1.787 3.334 ( -0.958 2.979 0.837) 3.239 3.684 ( -6.284 2.968 -5.786) 9.043 3.713 ( -1.166 2.987 -0.466) 3.240 3.813 ( 1.763 1.936 -3.908) 4.704 3.942 ( -4.743 -0.861 4.942) 6.904 3.966 ( -8.641 2.469 -3.421) 9.616 4.097 ( -0.083 -0.377 0.249) 0.459 4.202 ( 5.372 -2.764 -8.603) 10.513 4.431 ( 4.472 -2.750 5.661) 7.721 4.749 ( 1.193 -4.373 0.621) 4.575 4.829 ( -2.494 4.325 0.729) 5.046 4.915 ( -0.668 -4.926 3.555) 6.111 5.092 ( -0.326 1.589 -8.488) 8.641 5.245 ( -1.224 0.995 3.094) 3.473 5.474 ( -1.778 5.504 2.559) 6.325 5.504 ( -2.815 5.538 1.601) 6.415 5.614 ( -2.693 4.212 1.855) 5.332 5.701 ( 5.854 2.200 -6.096) 8.733 5.801 ( 2.362 3.541 0.578) 4.295 5.816 ( 5.304 -7.997 -4.798) 10.729 5.922 ( 0.210 0.977 1.668) 1.945 6.060 ( -4.151 3.759 4.422) 7.136 6.313 ( 0.693 2.972 0.103) 3.053 6.712 ( -2.129 -5.776 -10.126) 11.850 6.836 ( -1.582 2.091 -1.022) 2.814 6.949 ( 13.721 6.012 -0.951) 15.010 7.619 ( -1.697 2.025 -3.262) 4.197 7.734 ( -3.170 0.255 -1.535) 3.531 7.917 ( 1.131 -3.225 -4.851) 5.934 7.985 ( 2.448 5.927 -2.930) 7.050 8.055 ( 2.081 -3.985 3.771) 5.868 8.124 ( 1.298 -0.022 -1.058) 1.675 8.332 ( 1.555 -1.964 3.761) 4.519 8.428 ( -4.150 -1.908 -1.924) 4.957 9.099 ( -8.249 5.931 13.233) 16.684 9.410 ( -5.506 -2.480 4.038) 7.264 9.437 ( -8.946 6.169 3.517) 11.422 9.662 ( 5.628 4.373 2.772) 7.647 9.699 ( 2.462 0.274 1.369) 2.830 10.352 ( -0.813 -12.257 -9.184) 15.338 10.390 ( 6.114 -1.328 2.825) 6.865 10.625 ( 1.355 -0.785 1.173) 1.957 10.864 ( 3.794 -2.524 -1.031) 4.673 11.075 ( 6.344 -0.496 -13.054) 14.523 11.153 ( 0.480 0.407 -0.777) 1.000 11.190 ( -9.626 1.936 -0.560) 9.835 11.447 ( -14.191 -2.085 4.748) 15.109 11.716 ( -10.076 -5.207 7.491) 13.592 11.853 ( -2.918 1.330 1.748) 3.652 12.113 ( 0.234 -0.420 -1.797) 1.860 12.243 ( 0.033 -0.113 5.394) 5.395 12.487 ( 5.488 3.863 4.098) 7.863 12.553 ( -0.001 3.885 1.924) 4.336 13.142 ( -4.424 3.884 -7.093) 9.218 13.294 ( 0.100 4.724 0.330) 4.737 13.469 ( -4.772 2.287 0.432) 5.309 13.524 ( 4.453 1.195 2.990) 5.496 13.757 ( 3.240 -1.724 -1.963) 4.162 14.033 ( 9.978 9.116 5.756) 14.690 14.190 ( -8.697 9.842 -2.984) 13.469 14.689 ( -5.706 -3.823 7.143) 9.909 15.273 ( -9.068 -10.223 -8.510) 16.099 16.302 ( 16.689 2.800 0.462) 16.929 17.056 ( 8.885 -2.082 -4.310) 10.092 17.566 ( -0.705 -13.939 -9.223) 16.729 17.999 ( 3.342 -1.901 -4.179) 5.678 20.880 ( -4.462 5.323 3.492) 7.774 21.119 ( 4.443 -1.285 -4.594) 6.519 21.473 ( -0.432 3.624 5.383) 6.503 21.588 ( -4.712 8.874 7.444) 12.504 21.679 ( 5.767 0.044 13.267) 14.466 22.312 ( -22.994 -0.459 -6.544) 23.912 22.791 ( 0.212 0.812 -0.072) 0.843 23.004 ( -3.207 -7.250 -1.558) 8.079 23.115 ( -14.822 -19.935 -7.766) 26.027 23.331 ( -0.356 -1.940 -4.121) 4.569 23.572 ( 2.940 -3.023 8.564) 9.546 23.720 ( 0.331 -0.729 4.706) 4.773 23.885 ( -1.307 0.804 -2.721) 3.124 23.960 ( 2.276 0.978 -4.580) 5.207 24.114 ( -3.291 3.919 -2.517) 5.703 24.319 ( 38.667 14.950 -0.099) 41.457 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 6.678 -13.175 14.440) 20.656 1.485 ( 5.702 -17.570 11.974) 22.013 1.819 ( -3.673 -10.704 -5.592) 12.623 1.917 ( 5.164 -11.249 20.566) 24.003 2.174 ( 2.987 -10.800 3.598) 11.769 2.356 ( -5.287 -7.049 -0.732) 8.842 2.543 ( 2.299 -12.379 1.361) 12.664 2.759 ( -1.432 -9.243 -1.727) 9.511 2.792 ( -2.372 -11.108 -0.460) 11.368 2.838 ( 8.794 -7.357 0.506) 11.476 2.934 ( 0.708 -3.300 2.641) 4.285 2.958 ( 0.987 1.580 -6.199) 6.473 3.199 ( 3.224 0.045 -1.390) 3.511 3.231 ( -4.693 3.954 -0.186) 6.139 3.355 ( 3.660 -2.218 3.802) 5.725 3.534 ( -7.673 2.864 -7.564) 11.148 3.636 ( -6.915 -4.655 -4.725) 9.581 3.710 ( -0.179 6.840 -3.476) 7.675 3.908 ( -5.513 -2.680 -0.526) 6.152 3.936 ( 0.635 2.240 8.346) 8.664 4.148 ( 1.964 -1.523 -1.180) 2.751 4.217 ( 4.877 0.538 -5.935) 7.701 4.557 ( 2.624 -2.155 5.576) 6.529 4.688 ( -4.951 2.958 -2.958) 6.481 4.879 ( 3.435 -4.297 -1.042) 5.600 4.995 ( 2.180 3.018 -9.376) 10.088 5.068 ( -0.649 -7.464 6.918) 10.198 5.218 ( -3.239 1.355 2.504) 4.313 5.330 ( -1.402 9.081 4.383) 10.180 5.390 ( -2.456 3.783 0.184) 4.514 5.499 ( -2.493 4.997 3.565) 6.625 5.640 ( 0.344 2.262 -5.747) 6.186 5.802 ( 7.031 4.368 1.280) 8.376 5.885 ( 1.025 0.616 -2.813) 3.057 5.950 ( -2.437 4.352 -0.394) 5.003 6.042 ( 3.361 -10.341 -3.903) 11.552 6.272 ( 0.197 1.830 -2.600) 3.186 6.680 ( -1.331 1.766 -5.450) 5.882 6.763 ( 0.088 4.898 2.314) 5.418 6.920 ( 0.913 2.901 0.008) 3.041 7.576 ( -2.910 -0.971 -2.162) 3.753 7.702 ( -0.188 1.608 -0.002) 1.619 7.842 ( 2.190 7.309 -2.774) 8.118 7.921 ( 0.394 3.148 0.387) 3.196 8.078 ( 0.354 2.340 -2.305) 3.303 8.198 ( 0.957 -5.751 0.841) 5.890 8.371 ( -1.161 0.727 2.770) 3.090 8.434 ( -1.599 -1.112 0.745) 2.086 8.988 ( -13.939 0.701 6.174) 15.261 9.324 ( -3.514 0.508 3.502) 4.987 9.488 ( 1.544 -1.799 3.870) 4.538 9.637 ( 7.133 5.439 4.253) 9.928 9.720 ( -0.073 -0.736 1.515) 1.686 10.438 ( -1.707 -5.866 -8.898) 10.793 10.520 ( 8.532 -2.930 2.868) 9.467 10.671 ( 1.886 -0.800 0.415) 2.090 10.951 ( 2.028 -3.859 -2.194) 4.880 11.060 ( -0.287 -1.370 -9.985) 10.083 11.079 ( -2.739 0.766 -1.911) 3.427 11.172 ( 3.101 -1.053 -2.596) 4.179 11.459 ( -3.421 -3.843 2.203) 5.596 11.751 ( -8.258 0.824 4.803) 9.589 11.833 ( -3.915 -4.119 6.016) 8.276 12.090 ( -0.291 1.934 -0.753) 2.096 12.209 ( -2.750 5.177 3.345) 6.749 12.441 ( 0.230 4.019 1.329) 4.240 12.553 ( 5.783 1.920 3.986) 7.282 12.991 ( -1.137 5.272 -3.312) 6.329 13.166 ( -1.116 8.641 6.179) 10.682 13.408 ( 0.927 1.509 0.007) 1.771 13.503 ( -9.208 3.365 1.062) 9.861 13.761 ( -2.684 1.623 -1.257) 3.379 13.943 ( 1.258 -1.572 -4.624) 5.043 14.153 ( 4.402 -2.513 -0.701) 5.118 14.733 ( -10.790 -3.872 3.956) 12.127 15.302 ( -5.660 -5.184 -3.003) 8.242 16.354 ( 13.878 5.705 0.186) 15.006 17.134 ( 8.648 -0.258 -2.549) 9.020 17.688 ( 1.255 -4.849 -8.083) 9.509 18.050 ( 3.306 -2.519 -3.841) 5.659 20.779 ( -3.694 4.239 5.521) 7.880 21.160 ( 5.085 -0.475 -3.227) 6.041 21.448 ( -2.025 0.405 0.729) 2.190 21.482 ( 0.163 3.353 4.906) 5.945 21.812 ( 5.262 0.150 11.914) 13.025 22.095 ( -11.654 3.570 -5.645) 13.432 22.792 ( -1.243 -1.056 0.859) 1.843 23.107 ( -3.749 -8.334 -5.483) 10.657 23.306 ( -7.344 -12.969 -1.902) 15.025 23.357 ( -2.582 -3.960 -2.396) 5.300 23.708 ( 1.542 -4.426 4.774) 6.690 23.759 ( -0.099 -0.730 3.767) 3.839 23.831 ( -1.607 1.932 -2.988) 3.905 23.934 ( 0.544 0.121 -3.753) 3.794 24.009 ( -0.910 2.897 -3.200) 4.412 24.281 ( 21.847 15.635 2.995) 27.032 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 5.538 -7.318 11.867) 15.002 1.758 ( -2.986 -7.791 4.270) 9.373 1.999 ( 1.434 -9.553 -4.255) 10.556 2.191 ( 2.147 -5.099 12.822) 13.965 2.362 ( -1.916 -4.211 0.963) 4.726 2.430 ( 0.709 -4.412 4.169) 6.112 2.722 ( -3.255 -7.379 -0.057) 8.065 2.750 ( 1.011 5.714 -7.143) 9.203 2.830 ( 2.583 0.815 -2.041) 3.391 2.941 ( -0.746 -8.285 -4.263) 9.348 2.979 ( -1.761 3.312 -3.610) 5.206 3.111 ( -4.135 -6.562 0.665) 7.784 3.128 ( 0.560 -0.843 5.027) 5.128 3.259 ( 2.367 1.049 -1.658) 3.075 3.376 ( -7.793 -1.386 -3.358) 8.598 3.494 ( 2.666 -0.623 -2.751) 3.881 3.670 ( 6.278 -7.972 1.384) 10.241 3.759 ( 2.773 -6.804 -3.566) 8.167 3.909 ( -2.887 -1.650 6.519) 7.319 3.972 ( 3.898 0.992 4.000) 5.673 4.113 ( 4.539 2.876 -9.487) 10.903 4.242 ( -2.572 0.140 7.205) 7.651 4.575 ( -4.525 0.459 1.476) 4.782 4.600 ( -2.492 1.584 -2.563) 3.910 4.936 ( 1.345 0.845 -2.890) 3.298 4.956 ( 3.018 -2.580 -5.514) 6.794 5.169 ( -2.268 0.867 2.799) 3.706 5.192 ( -2.169 0.491 4.909) 5.389 5.231 ( 0.258 2.237 1.579) 2.750 5.346 ( -3.121 -2.644 0.879) 4.183 5.449 ( -0.412 1.420 4.213) 4.465 5.608 ( 2.430 -0.552 -4.519) 5.161 5.727 ( 2.085 6.827 -0.996) 7.208 5.815 ( -3.314 3.640 -1.259) 5.081 5.920 ( 2.469 -0.484 1.126) 2.756 6.211 ( 0.858 -7.300 -4.793) 8.775 6.235 ( 1.244 0.619 -1.618) 2.133 6.599 ( -2.738 2.442 -6.054) 7.079 6.705 ( 3.722 3.480 6.275) 8.083 6.865 ( 0.897 3.135 -0.961) 3.399 7.565 ( -3.987 -2.177 -2.607) 5.238 7.667 ( 2.539 3.524 1.243) 4.517 7.740 ( 1.126 4.140 -0.843) 4.372 7.846 ( -1.081 4.257 3.434) 5.575 8.046 ( 0.417 -0.722 -4.590) 4.665 8.276 ( 1.037 -0.144 2.084) 2.332 8.345 ( -3.481 -1.102 -0.955) 3.774 8.415 ( -2.130 2.328 2.758) 4.191 8.919 ( -8.066 -0.537 3.695) 8.888 9.332 ( -5.993 -3.755 -0.183) 7.075 9.519 ( 4.886 4.483 5.307) 8.493 9.649 ( 6.013 1.912 4.526) 7.765 9.736 ( -2.193 -1.118 0.693) 2.557 10.481 ( 1.579 -4.376 -8.505) 9.694 10.667 ( 3.339 0.621 -0.192) 3.401 10.679 ( 5.799 -2.628 2.544) 6.856 10.962 ( -2.174 -0.985 -9.414) 9.711 11.004 ( 3.443 1.608 -4.044) 5.549 11.148 ( -0.741 -4.777 3.276) 5.840 11.218 ( 3.887 -3.690 -7.005) 8.820 11.488 ( -4.525 1.987 3.895) 6.292 11.691 ( -4.808 -1.754 3.507) 6.204 11.909 ( -5.308 -2.222 4.883) 7.547 12.045 ( 5.622 7.756 -2.012) 9.788 12.106 ( -4.901 -1.723 4.951) 7.176 12.373 ( -2.186 2.846 0.929) 3.707 12.576 ( 1.829 1.728 4.115) 4.824 12.928 ( 8.371 2.491 -5.414) 10.275 13.020 ( -3.199 8.867 5.396) 10.862 13.302 ( -12.278 4.058 -0.825) 12.957 13.420 ( 1.977 -0.637 0.202) 2.087 13.720 ( -2.544 -0.352 -1.928) 3.211 14.039 ( 6.547 -4.367 -2.467) 8.248 14.221 ( -0.437 -2.692 -0.189) 2.734 14.697 ( -9.581 -0.648 2.149) 9.841 15.350 ( -1.026 -3.436 -0.169) 3.589 16.350 ( 5.687 3.497 1.609) 6.867 17.182 ( 6.139 0.269 -3.101) 6.883 17.725 ( 0.324 -2.348 -3.083) 3.889 18.098 ( 2.872 -1.702 -3.455) 4.804 20.714 ( -3.070 2.823 5.191) 6.659 21.173 ( 3.844 1.390 -3.317) 5.264 21.418 ( -3.081 -0.395 -0.827) 3.215 21.501 ( 2.460 -0.401 2.316) 3.402 21.866 ( 3.210 3.417 8.454) 9.667 21.950 ( -3.342 2.447 -2.531) 4.855 22.810 ( -3.005 -1.920 1.416) 3.837 23.179 ( -3.654 -6.564 -7.921) 10.917 23.395 ( -3.513 -3.380 -0.292) 4.883 23.455 ( -3.282 -7.983 -0.331) 8.638 23.733 ( 1.205 2.962 -1.426) 3.501 23.776 ( -1.870 -0.413 1.839) 2.655 23.838 ( -1.091 -4.483 1.548) 4.866 23.936 ( 1.706 -0.443 -2.391) 2.970 23.962 ( 1.069 1.176 -1.623) 2.271 24.174 ( 11.815 12.208 3.896) 17.430 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.523 2.702 11.980) 13.466 1.843 ( -1.345 -0.305 -3.892) 4.130 1.967 ( -0.889 8.944 1.420) 9.100 2.286 ( -2.498 -0.996 0.150) 2.694 2.428 ( 3.718 -0.399 7.727) 8.584 2.496 ( -1.140 1.973 2.187) 3.159 2.638 ( 2.961 3.788 -6.051) 7.729 2.756 ( -0.946 6.905 -5.788) 9.060 2.790 ( -1.666 -1.138 -0.656) 2.121 2.914 ( 1.162 -8.031 -6.971) 10.698 3.008 ( 0.484 -1.221 1.004) 1.653 3.151 ( -2.240 -0.053 -3.023) 3.763 3.204 ( 1.436 0.743 -0.733) 1.776 3.255 ( 3.355 -1.724 0.463) 3.800 3.352 ( -3.819 -2.858 0.430) 4.789 3.508 ( -0.722 -1.520 0.368) 1.723 3.813 ( -1.517 -1.604 2.382) 3.248 3.882 ( -3.749 -5.730 2.288) 7.220 3.944 ( 12.126 6.087 0.181) 13.569 3.971 ( 2.109 4.210 3.074) 5.623 4.115 ( 4.905 -2.291 -4.606) 7.108 4.174 ( -2.411 6.856 4.783) 8.700 4.556 ( -6.037 -2.373 0.909) 6.550 4.574 ( 1.432 -1.006 -0.837) 1.940 4.886 ( -0.181 2.196 -6.107) 6.493 5.011 ( -5.112 -3.659 -0.429) 6.302 5.146 ( -1.124 0.658 1.823) 2.240 5.167 ( -1.929 -0.154 5.138) 5.490 5.249 ( 5.289 1.345 -0.783) 5.513 5.382 ( -3.179 -5.376 -3.453) 7.136 5.477 ( 0.238 0.140 6.298) 6.304 5.556 ( 1.299 6.150 -1.623) 6.492 5.653 ( -2.968 -2.123 -0.264) 3.658 5.781 ( 1.857 -0.841 -1.167) 2.348 5.987 ( 3.537 -2.580 2.708) 5.148 6.241 ( -0.206 -1.356 -1.854) 2.307 6.284 ( -2.226 -3.139 -1.495) 4.128 6.504 ( -3.058 1.618 -4.714) 5.847 6.760 ( 2.376 -2.005 4.151) 5.186 6.829 ( 6.465 2.886 0.476) 7.096 7.574 ( -2.749 -3.601 -2.398) 5.126 7.645 ( 4.055 1.827 0.739) 4.509 7.690 ( -0.256 0.444 -0.423) 0.664 7.798 ( -2.728 1.497 2.731) 4.140 8.076 ( 1.412 -4.259 -4.094) 6.075 8.247 ( -3.388 1.273 1.945) 4.109 8.342 ( -4.031 2.037 1.293) 4.698 8.383 ( 1.409 -1.112 0.311) 1.821 8.894 ( -1.995 1.110 3.137) 3.880 9.360 ( -8.482 -6.995 -3.106) 11.424 9.470 ( 3.391 7.615 6.223) 10.403 9.645 ( 2.182 4.471 2.516) 5.575 9.761 ( 0.825 -1.729 0.813) 2.081 10.533 ( 0.353 -2.617 -4.789) 5.468 10.638 ( 4.977 2.167 -2.918) 6.163 10.756 ( 2.640 3.003 1.760) 4.369 10.946 ( 2.042 -1.207 -9.917) 10.197 10.993 ( 0.706 -2.077 0.394) 2.229 11.197 ( 5.377 2.232 -3.715) 6.906 11.279 ( -3.320 -3.265 -5.756) 7.404 11.415 ( -3.295 -0.159 6.687) 7.456 11.727 ( -5.852 -1.521 7.271) 9.457 11.901 ( 5.600 7.627 -2.695) 9.838 11.934 ( 1.639 -1.000 -0.592) 2.009 12.200 ( -6.437 -5.655 9.007) 12.431 12.328 ( 0.473 1.298 1.005) 1.708 12.563 ( -1.100 1.614 3.496) 4.004 12.807 ( -9.573 3.912 -6.219) 12.068 13.016 ( 17.193 0.868 -1.171) 17.255 13.182 ( -3.820 1.695 -0.746) 4.245 13.456 ( -0.687 -1.797 2.008) 2.781 13.698 ( -0.649 0.083 -2.308) 2.399 14.136 ( 3.036 -1.501 -0.760) 3.471 14.244 ( -3.562 -1.822 0.513) 4.034 14.651 ( -2.615 0.461 1.456) 3.028 15.394 ( 1.727 -0.223 1.411) 2.241 16.355 ( -2.219 -1.669 2.437) 3.695 17.199 ( 1.583 -0.462 -3.013) 3.435 17.769 ( 0.139 -3.419 -0.376) 3.443 18.119 ( 2.204 0.012 -3.330) 3.993 20.675 ( -2.790 1.427 4.326) 5.342 21.154 ( 2.652 0.937 -4.320) 5.155 21.392 ( -3.456 0.094 -1.223) 3.667 21.538 ( 1.949 -0.295 1.901) 2.738 21.835 ( 1.015 6.344 3.330) 7.237 21.936 ( 4.530 -2.003 2.134) 5.393 22.822 ( -3.324 -1.429 1.077) 3.775 23.201 ( -2.702 -2.954 -8.403) 9.308 23.410 ( -2.673 -1.297 -0.339) 2.990 23.525 ( 0.215 -0.402 0.206) 0.500 23.691 ( 1.182 2.091 -0.553) 2.465 23.786 ( -2.280 -1.531 0.644) 2.821 23.885 ( 2.936 3.599 1.103) 4.774 23.946 ( -1.804 -4.744 -2.634) 5.718 23.964 ( -0.050 -0.896 0.529) 1.041 24.107 ( 3.546 3.604 4.184) 6.563 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -16.574 9.519 11.547) 22.330 1.588 ( -7.130 17.933 -2.898) 19.515 1.836 ( 3.035 10.228 4.047) 11.411 2.205 ( 2.518 13.706 -0.122) 13.936 2.331 ( -1.329 8.183 -1.623) 8.447 2.453 ( -0.428 3.654 0.683) 3.742 2.566 ( 6.361 4.999 -3.855) 8.962 2.685 ( 3.366 -0.106 -3.268) 4.693 2.794 ( 1.261 -1.777 -4.402) 4.912 2.980 ( -1.457 5.071 -4.201) 6.744 2.999 ( 1.965 7.227 0.943) 7.548 3.113 ( -4.740 -4.996 -0.151) 6.888 3.196 ( -0.058 -2.321 3.000) 3.793 3.249 ( 0.786 0.526 -4.828) 4.920 3.409 ( -3.026 2.022 1.242) 3.846 3.599 ( 0.663 -2.456 -3.542) 4.361 3.657 ( -2.252 7.346 8.905) 11.761 3.837 ( -2.007 -0.007 4.690) 5.102 3.934 ( 4.474 5.561 3.783) 8.078 4.037 ( 8.429 -0.844 1.993) 8.702 4.128 ( 5.140 4.592 4.008) 7.973 4.167 ( 2.474 -5.847 -7.935) 10.162 4.476 ( -8.323 3.874 -4.380) 10.172 4.643 ( -0.253 -3.903 1.174) 4.083 4.826 ( 1.351 1.264 -4.250) 4.635 4.985 ( -4.111 -0.344 -1.992) 4.581 5.129 ( -3.642 -0.241 3.160) 4.828 5.244 ( 1.671 -2.657 2.870) 4.253 5.280 ( 2.754 -3.428 0.799) 4.470 5.395 ( -0.278 0.103 0.283) 0.410 5.467 ( -3.560 3.664 6.356) 8.154 5.548 ( 0.926 -4.439 -5.221) 6.915 5.711 ( -5.308 -5.507 1.098) 7.727 5.815 ( 5.833 -0.563 -2.670) 6.439 6.092 ( 6.349 -1.326 0.298) 6.493 6.208 ( -3.674 1.645 0.945) 4.135 6.328 ( -3.946 -5.066 -1.148) 6.523 6.434 ( -4.822 -0.152 -1.545) 5.066 6.788 ( 2.795 -0.062 -4.954) 5.688 6.905 ( 7.500 0.031 5.650) 9.390 7.640 ( -2.714 -6.456 -0.894) 7.060 7.680 ( 2.021 -2.653 -2.544) 4.194 7.724 ( 1.949 -1.918 3.151) 4.172 7.791 ( -0.502 -3.297 0.246) 3.344 8.163 ( 1.301 -4.709 -4.208) 6.447 8.207 ( -6.183 0.768 4.118) 7.468 8.272 ( -0.018 2.578 -0.922) 2.738 8.431 ( 2.892 -1.140 2.345) 3.894 8.861 ( -1.624 2.453 1.959) 3.535 9.358 ( 3.904 6.291 0.949) 7.465 9.436 ( -7.955 -7.036 1.310) 10.701 9.584 ( 3.228 5.711 1.721) 6.782 9.787 ( -2.707 -0.855 1.870) 3.400 10.472 ( -6.947 1.926 -5.001) 8.774 10.653 ( 6.622 4.276 -2.150) 8.171 10.724 ( 5.831 1.838 2.793) 6.721 10.859 ( -0.384 4.010 -5.470) 6.794 11.089 ( 0.837 0.872 -0.097) 1.213 11.148 ( 8.953 -1.926 -11.442) 14.656 11.260 ( -3.532 0.468 1.139) 3.740 11.460 ( -3.995 -1.916 2.234) 4.962 11.759 ( -1.182 -1.713 7.448) 7.734 11.810 ( 5.553 4.847 1.044) 7.444 11.993 ( 1.237 -3.046 -1.084) 3.462 12.250 ( -2.822 1.835 9.172) 9.770 12.332 ( 0.237 -1.301 -1.190) 1.779 12.546 ( -5.187 0.788 2.192) 5.686 12.707 ( -3.717 -5.457 -3.934) 7.686 13.149 ( 5.661 1.806 1.513) 6.132 13.165 ( 9.390 -4.668 -6.182) 12.173 13.498 ( -0.106 -1.843 2.675) 3.250 13.678 ( 2.198 1.408 -3.231) 4.153 14.119 ( -3.414 2.629 -0.093) 4.310 14.242 ( -4.369 -1.178 0.618) 4.567 14.654 ( 5.496 1.801 0.924) 5.857 15.392 ( 4.620 4.244 1.183) 6.384 16.409 ( -10.783 -8.425 3.291) 14.074 17.195 ( -4.125 -1.340 -1.169) 4.492 17.855 ( 0.515 -5.802 -1.227) 5.952 18.100 ( 1.768 1.720 -3.516) 4.294 20.665 ( -2.437 -0.525 4.473) 5.121 21.147 ( 2.323 -0.673 -5.478) 5.989 21.346 ( -2.897 1.175 0.711) 3.206 21.564 ( 1.071 0.241 1.990) 2.272 21.709 ( -1.614 7.149 0.306) 7.335 22.100 ( 12.004 -5.083 5.854) 14.290 22.820 ( -2.527 -0.679 0.443) 2.654 23.152 ( -0.151 2.220 -6.733) 7.091 23.402 ( -1.054 -0.057 -1.534) 1.862 23.482 ( 0.088 4.926 0.498) 4.952 23.648 ( 0.180 3.302 -1.011) 3.458 23.736 ( 2.372 5.490 -1.475) 6.160 23.888 ( -0.579 -1.771 2.635) 3.227 23.990 ( 0.959 -0.933 0.764) 1.540 24.015 ( -5.812 -7.044 -3.396) 9.743 24.130 ( -3.510 -3.201 3.789) 6.076 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -19.589 13.318 16.123) 28.654 1.132 ( -8.217 22.701 4.908) 24.636 1.531 ( -7.777 24.605 2.884) 25.965 1.866 ( 2.963 20.197 -2.281) 20.540 2.215 ( 5.521 7.537 5.135) 10.662 2.366 ( 1.912 3.241 -5.835) 6.943 2.473 ( 1.650 10.396 -0.335) 10.531 2.621 ( 6.718 11.136 -7.790) 15.160 2.760 ( -0.214 8.216 3.064) 8.772 2.844 ( 0.797 3.014 0.190) 3.123 2.941 ( -2.734 2.905 1.501) 4.263 3.007 ( -5.120 1.853 -1.810) 5.738 3.146 ( -4.337 2.721 -0.277) 5.127 3.310 ( 2.232 -1.699 -1.457) 3.161 3.337 ( 0.099 -0.348 -0.281) 0.458 3.553 ( 3.145 -4.289 1.601) 5.554 3.802 ( -0.430 4.905 3.638) 6.122 3.870 ( 2.583 -7.836 0.777) 8.287 3.928 ( 2.667 -0.735 2.028) 3.430 4.101 ( 5.549 4.807 5.049) 8.910 4.122 ( 6.143 1.795 1.023) 6.481 4.247 ( 2.493 -3.436 -6.802) 8.018 4.284 ( -10.073 0.138 -7.407) 12.503 4.726 ( -1.392 -5.343 2.709) 6.150 4.779 ( -1.371 2.453 -1.114) 3.023 4.974 ( 3.385 0.936 -2.060) 4.072 5.159 ( -0.069 -1.919 5.043) 5.397 5.267 ( -0.800 1.989 0.656) 2.242 5.368 ( -7.717 -1.924 1.022) 8.019 5.418 ( 0.228 -3.163 0.234) 3.180 5.469 ( 1.852 -8.635 2.959) 9.314 5.616 ( 0.455 -3.658 -3.843) 5.326 5.733 ( -3.017 -2.975 -1.239) 4.414 5.848 ( 6.458 2.698 -2.740) 7.516 6.047 ( 2.964 6.280 -3.845) 7.938 6.149 ( -7.909 2.201 0.674) 8.237 6.410 ( -6.213 -2.074 3.176) 7.280 6.465 ( 2.532 -8.188 0.341) 8.577 6.788 ( 5.397 -0.091 -7.250) 9.038 6.942 ( 4.599 3.699 1.186) 6.020 7.668 ( -3.477 -1.157 -0.241) 3.672 7.776 ( 1.267 -6.189 -3.230) 7.096 7.833 ( 0.644 -6.151 2.803) 6.790 7.907 ( 3.173 -5.739 -1.828) 6.808 8.130 ( -4.242 2.205 0.768) 4.842 8.169 ( 0.388 5.702 -1.546) 5.921 8.266 ( 2.283 -0.930 0.282) 2.482 8.497 ( 1.476 -1.670 3.130) 3.842 8.819 ( -0.459 1.498 5.396) 5.618 9.336 ( 8.518 1.893 2.572) 9.097 9.488 ( 2.672 5.188 -0.255) 5.841 9.536 ( -8.591 -7.567 3.180) 11.882 9.771 ( -7.567 -1.153 2.085) 7.933 10.354 ( -3.658 2.186 -4.229) 6.004 10.596 ( 3.415 4.090 -1.275) 5.478 10.701 ( 2.418 4.842 -7.236) 9.036 10.805 ( 2.674 3.672 6.004) 7.529 11.021 ( 8.213 3.965 -7.664) 11.912 11.206 ( 1.311 2.366 -4.090) 4.904 11.292 ( 1.750 -8.065 1.456) 8.380 11.420 ( -4.182 2.417 0.936) 4.920 11.809 ( 7.212 1.273 4.732) 8.720 11.849 ( -3.192 -2.450 6.358) 7.524 12.054 ( 1.523 -2.630 -0.607) 3.099 12.216 ( 5.945 5.451 3.682) 8.866 12.351 ( -3.054 -2.020 0.203) 3.667 12.493 ( -7.548 -1.575 1.986) 7.962 12.884 ( 0.563 -13.025 2.905) 13.357 13.192 ( 5.434 -1.090 1.401) 5.716 13.282 ( 4.445 -3.766 -6.535) 8.755 13.549 ( 5.738 0.508 1.459) 5.942 13.643 ( 3.417 2.635 -4.554) 6.274 13.983 ( -5.290 7.393 -2.647) 9.468 14.237 ( -4.845 -2.745 1.730) 5.831 14.659 ( 7.927 5.028 1.347) 9.484 15.330 ( 9.147 8.491 -1.297) 12.548 16.514 ( -20.040 -14.530 3.752) 25.036 17.166 ( -9.656 -1.793 1.370) 9.916 17.959 ( -2.450 -7.234 -7.310) 10.572 18.056 ( 2.195 2.299 -4.282) 5.333 20.711 ( -2.011 -3.377 7.701) 8.646 21.147 ( 2.063 -0.644 -7.778) 8.072 21.334 ( -0.728 -0.349 6.198) 6.250 21.542 ( -2.530 3.179 -2.789) 4.928 21.588 ( 0.013 4.254 6.099) 7.436 22.376 ( 17.672 -6.687 7.804) 20.443 22.812 ( -1.949 -0.663 -0.947) 2.266 23.071 ( 6.989 5.970 -1.778) 9.362 23.346 ( -3.546 5.745 -4.193) 7.947 23.385 ( -0.071 1.231 -2.776) 3.038 23.553 ( 3.901 8.011 1.602) 9.053 23.676 ( 2.105 2.991 1.579) 3.984 23.919 ( -1.185 -1.350 0.382) 1.836 24.014 ( 0.682 -0.656 -0.348) 1.009 24.046 ( -16.076 -8.044 -9.272) 20.227 24.189 ( -7.036 -5.390 3.951) 9.704 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.925 21.549 22.289) 31.016 0.751 ( -14.482 17.271 19.696) 29.933 0.889 ( -18.113 28.576 12.271) 35.990 1.579 ( 2.985 12.267 3.409) 13.077 2.100 ( 0.573 13.147 0.538) 13.170 2.227 ( 5.914 10.635 1.694) 12.286 2.311 ( -7.740 1.178 0.515) 7.846 2.457 ( 10.211 6.983 -8.513) 15.017 2.599 ( -0.501 7.240 5.195) 8.925 2.740 ( -4.273 6.473 -2.169) 8.054 2.851 ( -0.060 0.216 2.125) 2.136 3.088 ( -0.023 0.227 2.259) 2.270 3.170 ( 0.089 -10.417 -2.768) 10.779 3.325 ( 0.608 -0.469 -1.986) 2.130 3.344 ( 0.769 0.414 -1.832) 2.030 3.631 ( 5.969 2.644 1.505) 6.699 3.779 ( 0.345 -2.769 -3.903) 4.798 3.923 ( -1.640 6.009 3.173) 6.990 3.964 ( -1.560 -1.823 -3.886) 4.567 4.016 ( -1.055 -3.130 1.947) 3.834 4.151 ( 6.146 1.421 -6.409) 8.992 4.269 ( -8.091 -4.152 -1.593) 9.233 4.313 ( 2.975 -2.709 0.703) 4.084 4.699 ( -0.627 3.671 -0.264) 3.734 4.866 ( -0.416 -5.875 4.514) 7.420 4.918 ( -2.100 5.303 0.251) 5.710 5.184 ( -1.360 1.773 -1.719) 2.820 5.224 ( 0.351 -3.047 3.573) 4.709 5.438 ( -0.492 -6.527 -2.453) 6.990 5.506 ( 0.458 -4.380 1.985) 4.830 5.610 ( -0.682 -2.165 2.382) 3.290 5.697 ( 2.087 -7.472 -3.856) 8.663 5.785 ( 3.987 6.240 -3.523) 8.200 5.799 ( -0.532 -4.529 -0.799) 4.630 5.998 ( 7.073 -0.676 4.948) 8.658 6.010 ( -9.065 3.754 -4.698) 10.878 6.337 ( -7.579 4.369 5.139) 10.146 6.604 ( 15.800 6.266 -1.326) 17.049 6.799 ( 4.603 0.138 -6.836) 8.243 6.890 ( 2.288 2.446 -2.752) 4.335 7.667 ( -1.692 -1.725 -1.169) 2.684 7.834 ( -2.948 -2.018 -3.971) 5.341 7.941 ( -0.075 -2.162 -2.119) 3.028 7.970 ( 2.970 3.505 -0.470) 4.618 8.013 ( -0.086 0.331 -1.429) 1.469 8.117 ( 0.321 1.289 -0.471) 1.409 8.281 ( 1.226 1.431 1.788) 2.598 8.504 ( -2.309 1.087 -0.932) 2.717 8.922 ( 4.885 -4.686 15.726) 17.121 9.392 ( 2.644 1.918 3.116) 4.514 9.499 ( 6.566 -5.597 2.103) 8.881 9.630 ( -4.770 -5.704 3.086) 8.051 9.731 ( -11.741 -2.769 2.779) 12.379 10.287 ( 3.949 3.802 -5.199) 7.555 10.483 ( 0.563 10.404 -6.798) 12.440 10.608 ( -1.094 0.388 -0.662) 1.336 10.797 ( 3.746 1.302 1.649) 4.295 11.017 ( 11.547 1.736 -7.104) 13.668 11.161 ( 0.593 0.974 -2.573) 2.814 11.345 ( -3.307 2.575 2.488) 4.874 11.504 ( -0.546 -11.232 7.265) 13.388 11.854 ( -1.939 0.826 1.566) 2.626 11.893 ( 1.277 -2.419 2.408) 3.645 12.097 ( 3.359 0.252 -0.015) 3.368 12.201 ( 6.323 4.059 3.263) 8.192 12.392 ( -0.398 -3.961 1.708) 4.332 12.506 ( -5.217 -3.928 7.685) 10.085 13.197 ( 11.992 -6.972 10.446) 17.365 13.264 ( 4.686 0.216 -0.301) 4.701 13.332 ( 1.067 -8.524 -4.099) 9.518 13.564 ( 11.075 7.391 -1.926) 13.453 13.587 ( 3.563 3.593 -2.407) 5.604 13.764 ( -3.103 6.466 -2.291) 7.529 14.305 ( -2.648 -7.092 1.692) 7.757 14.606 ( 4.974 7.667 4.060) 10.001 15.205 ( 17.232 15.827 -6.221) 24.211 16.643 ( -34.448 -21.995 1.923) 40.916 17.113 ( -15.939 -2.994 0.949) 16.246 17.880 ( -16.684 5.797 -26.849) 32.138 18.000 ( 2.049 2.293 -4.714) 5.629 20.864 ( -1.454 -9.048 11.136) 14.422 21.123 ( 2.362 0.297 -7.991) 8.338 21.416 ( 1.830 0.348 9.012) 9.203 21.496 ( -1.970 -6.501 6.699) 9.541 21.577 ( -1.494 -1.084 7.955) 8.166 22.678 ( 6.893 -7.852 2.198) 10.677 22.797 ( -1.795 -0.685 -4.432) 4.831 23.118 ( 20.541 5.679 4.710) 21.826 23.165 ( 14.670 7.422 0.432) 16.446 23.358 ( 2.546 1.024 -2.565) 3.756 23.455 ( 9.179 11.068 4.566) 15.086 23.665 ( 0.809 1.147 3.209) 3.503 23.837 ( -42.989 -2.780 -21.833) 48.296 23.930 ( -2.094 -0.658 -1.120) 2.465 24.025 ( -0.277 -0.678 -0.915) 1.172 24.234 ( -5.932 -2.792 2.943) 7.186 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 15.309 -0.000 18.224) 23.801 0.919 ( 16.638 -0.000 19.179) 25.390 1.402 ( -0.548 0.000 0.434) 0.699 1.703 ( 14.264 -0.000 28.566) 31.929 1.865 ( -5.346 0.000 -1.913) 5.678 2.050 ( -3.973 0.000 5.900) 7.113 2.368 ( 8.229 -0.000 4.852) 9.553 2.385 ( -6.878 0.000 -2.392) 7.282 2.563 ( -2.705 0.000 4.112) 4.922 2.621 ( 9.333 -0.000 -4.815) 10.502 2.927 ( -6.509 0.000 -15.927) 17.205 2.937 ( 0.205 -0.000 7.176) 7.179 3.251 ( 5.107 -0.000 0.436) 5.125 3.273 ( -4.647 0.000 -5.997) 7.587 3.370 ( -0.924 0.000 0.534) 1.067 3.671 ( -4.662 0.000 -0.354) 4.676 3.754 ( -8.085 0.000 -6.197) 10.187 3.837 ( 5.751 -0.000 -0.475) 5.771 3.860 ( -2.545 0.000 -4.113) 4.836 3.930 ( -10.850 0.000 8.589) 13.839 4.135 ( 6.929 -0.000 -10.079) 12.231 4.141 ( 2.734 -0.000 5.005) 5.703 4.457 ( 2.446 -0.000 5.455) 5.979 4.653 ( -9.961 0.000 -6.452) 11.868 4.893 ( 2.947 -0.000 6.697) 7.317 4.899 ( 6.277 -0.000 0.904) 6.342 5.097 ( 3.517 -0.000 -5.992) 6.948 5.252 ( -2.547 0.000 0.948) 2.717 5.481 ( -6.919 0.000 0.322) 6.926 5.516 ( -6.383 0.000 -1.101) 6.477 5.622 ( -3.466 0.000 -1.400) 3.739 5.699 ( 5.146 -0.000 -4.753) 7.005 5.829 ( 8.154 -0.000 1.496) 8.290 5.873 ( 0.771 -0.000 1.496) 1.682 6.005 ( 6.890 -0.000 0.597) 6.916 6.070 ( -2.813 0.000 8.644) 9.090 6.422 ( -1.064 0.000 4.037) 4.175 6.503 ( -6.974 0.000 -11.261) 13.246 6.774 ( -3.255 0.000 -4.756) 5.763 7.184 ( 16.116 -0.000 -7.519) 17.783 7.616 ( -1.536 0.000 -4.187) 4.460 7.731 ( 0.019 -0.000 0.202) 0.203 7.810 ( -0.371 0.000 -4.596) 4.610 8.058 ( 2.257 -0.000 -0.760) 2.381 8.090 ( 4.508 -0.000 -1.864) 4.878 8.099 ( 0.478 -0.000 -0.405) 0.626 8.344 ( 1.423 -0.000 5.844) 6.015 8.363 ( -3.917 0.000 -2.344) 4.565 9.131 ( -22.680 0.000 9.692) 24.664 9.297 ( -9.388 0.000 2.100) 9.620 9.473 ( -3.978 0.000 8.044) 8.974 9.734 ( 2.262 -0.000 -0.115) 2.264 9.775 ( 6.099 -0.000 4.804) 7.763 10.153 ( -0.970 0.000 -2.150) 2.358 10.458 ( 9.191 -0.000 2.573) 9.544 10.623 ( -0.934 0.000 0.634) 1.129 10.858 ( 3.210 -0.000 -2.526) 4.085 10.987 ( -8.391 0.000 -6.870) 10.845 11.120 ( -7.504 0.000 -2.478) 7.902 11.173 ( 1.391 -0.000 0.774) 1.592 11.324 ( -9.695 0.000 11.343) 14.922 11.679 ( -1.564 0.000 7.786) 7.941 11.852 ( -1.902 0.000 0.765) 2.050 12.090 ( -1.070 0.000 -2.737) 2.939 12.320 ( 6.140 -0.000 6.575) 8.996 12.594 ( -0.688 0.000 -0.559) 0.886 12.595 ( 6.037 -0.000 5.188) 7.960 13.172 ( -11.382 0.000 -1.022) 11.428 13.185 ( 4.490 -0.000 -10.269) 11.208 13.508 ( -3.151 0.000 0.433) 3.180 13.583 ( 7.058 -0.000 0.835) 7.107 13.764 ( 4.716 -0.000 -3.530) 5.891 14.165 ( -5.134 0.000 3.021) 5.957 14.241 ( -12.984 0.000 -6.509) 14.524 14.737 ( -27.403 0.000 13.126) 30.384 14.800 ( -9.390 0.000 -2.350) 9.680 16.667 ( 49.697 -0.000 -21.502) 54.149 17.115 ( 15.039 -0.000 -2.276) 15.211 17.379 ( -1.419 0.000 6.382) 6.538 17.991 ( 4.091 -0.000 -3.981) 5.709 20.892 ( -4.722 0.000 -0.793) 4.789 21.114 ( 4.472 -0.000 -3.790) 5.862 21.572 ( -1.093 0.000 3.665) 3.825 21.657 ( -0.193 0.000 12.138) 12.139 21.905 ( 3.695 -0.000 1.795) 4.108 22.006 ( -23.870 0.000 16.453) 28.991 22.726 ( -6.773 0.000 -10.040) 12.111 22.865 ( 3.120 -0.000 1.013) 3.281 22.887 ( -2.643 0.000 1.021) 2.833 23.275 ( -2.942 0.000 -5.451) 6.194 23.612 ( 2.581 -0.000 7.981) 8.388 23.744 ( 0.336 -0.000 5.063) 5.075 23.867 ( -0.459 0.000 -3.730) 3.758 23.945 ( -0.859 0.000 -4.205) 4.291 24.072 ( -6.078 0.000 -4.989) 7.864 24.784 ( 30.907 -0.000 -12.167) 33.216 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 17.689 -5.537 14.172) 23.333 1.334 ( 12.602 -13.115 15.061) 23.614 1.536 ( -3.704 -12.454 -8.993) 15.802 1.849 ( -3.171 -8.195 12.653) 15.405 1.970 ( -5.967 -12.776 4.795) 14.894 2.244 ( 8.788 -4.226 9.385) 13.534 2.360 ( -2.529 -5.893 -1.209) 6.526 2.550 ( 1.452 -7.885 4.969) 9.433 2.615 ( -1.344 -5.620 2.447) 6.275 2.763 ( 12.430 -8.294 -1.790) 15.050 2.845 ( -3.127 -4.066 -13.343) 14.295 2.983 ( 0.070 -0.546 9.730) 9.745 3.173 ( -6.423 1.008 -6.931) 9.503 3.263 ( 0.623 -0.367 -6.008) 6.051 3.365 ( -0.139 1.948 0.473) 2.009 3.542 ( -2.087 5.454 2.333) 6.289 3.628 ( -2.842 6.747 -2.572) 7.760 3.739 ( -7.581 1.342 -4.628) 8.983 3.835 ( -3.294 -0.458 -0.154) 3.329 4.016 ( 3.386 -1.506 12.260) 12.808 4.147 ( 2.815 -0.989 0.812) 3.092 4.214 ( 5.803 -0.808 -8.667) 10.462 4.525 ( -6.787 -2.056 -2.289) 7.452 4.560 ( -4.269 -5.315 -0.341) 6.826 4.924 ( 8.081 3.074 -2.184) 8.918 5.012 ( 4.931 -3.392 4.793) 7.668 5.063 ( 3.419 3.067 -2.122) 5.060 5.214 ( -4.395 0.818 -0.908) 4.561 5.399 ( -7.795 1.888 0.210) 8.023 5.434 ( -4.033 2.080 -0.300) 4.548 5.565 ( -5.030 1.768 0.621) 5.368 5.694 ( -0.157 7.048 -2.462) 7.468 5.837 ( 2.755 -3.642 -1.080) 4.692 5.921 ( 6.690 0.210 0.438) 6.708 6.022 ( 7.284 3.819 1.675) 8.393 6.062 ( -0.650 6.516 2.626) 7.055 6.304 ( 0.455 3.225 -3.012) 4.436 6.538 ( -6.906 -7.141 -4.595) 10.945 6.755 ( -4.433 -2.207 -1.879) 5.297 7.135 ( 9.618 10.621 -1.716) 14.432 7.563 ( -0.889 2.109 -0.927) 2.470 7.721 ( 2.054 0.353 -0.181) 2.091 7.878 ( 0.511 -5.008 -4.464) 6.728 8.001 ( 2.892 5.976 -3.307) 7.417 8.100 ( -0.172 -1.847 0.502) 1.922 8.125 ( -0.168 0.598 -0.458) 0.772 8.338 ( -4.457 -1.964 -0.855) 4.945 8.418 ( 2.658 -2.097 4.499) 5.631 8.902 ( -20.056 3.543 4.496) 20.857 9.288 ( -9.039 -2.965 2.975) 9.967 9.499 ( 0.929 -0.556 8.064) 8.137 9.725 ( 0.191 1.717 0.943) 1.968 9.835 ( 8.304 3.313 5.227) 10.357 10.239 ( -0.737 -9.151 -7.107) 11.610 10.557 ( 6.475 -1.321 2.390) 7.027 10.652 ( 0.021 -3.322 1.109) 3.503 10.881 ( -1.940 -2.077 -1.014) 3.018 10.921 ( -2.961 -3.082 -10.700) 11.522 11.048 ( -4.625 0.050 -3.327) 5.697 11.190 ( 2.309 0.287 2.750) 3.602 11.364 ( -4.030 -3.800 7.697) 9.483 11.721 ( -1.775 -0.250 8.823) 9.004 11.828 ( -1.840 1.203 1.530) 2.678 12.065 ( -3.337 -0.870 -2.937) 4.529 12.351 ( 5.249 5.862 5.032) 9.340 12.538 ( 0.546 4.921 -0.571) 4.984 12.671 ( 7.067 1.209 4.835) 8.647 13.000 ( -5.003 3.327 -4.129) 7.290 13.274 ( 0.855 -4.728 -3.865) 6.166 13.389 ( -6.024 5.324 2.860) 8.533 13.630 ( 3.723 5.817 2.412) 7.316 13.785 ( 1.765 1.208 -3.307) 3.938 13.922 ( -8.711 7.836 -7.904) 14.133 14.130 ( -3.384 -0.393 2.855) 4.445 14.567 ( -13.296 -3.528 4.342) 14.426 14.973 ( -16.881 -16.419 0.278) 23.551 16.744 ( 30.899 14.387 -9.916) 35.497 17.229 ( 11.927 1.119 0.729) 12.001 17.534 ( 3.139 -8.855 -3.598) 10.060 18.023 ( 4.204 -1.572 -3.648) 5.784 20.828 ( -4.144 2.291 1.392) 4.936 21.156 ( 4.750 -1.788 -3.483) 6.155 21.517 ( -1.729 5.097 3.889) 6.640 21.598 ( -1.682 6.339 6.190) 9.018 21.936 ( 1.403 -0.287 15.092) 15.159 22.010 ( -5.121 -0.687 1.084) 5.279 22.753 ( -5.244 -6.544 -4.875) 9.701 22.829 ( -4.897 -4.540 -4.482) 8.042 23.040 ( 0.539 -9.990 3.035) 10.455 23.236 ( -5.412 -3.300 -5.384) 8.317 23.692 ( 2.041 -2.019 6.408) 7.021 23.769 ( -0.963 -0.260 3.153) 3.307 23.840 ( 1.274 1.351 -3.090) 3.605 23.913 ( -0.854 -0.114 -3.551) 3.654 23.993 ( -3.302 0.537 -5.204) 6.186 24.785 ( 20.399 14.629 -5.243) 25.644 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 16.299 -6.974 10.979) 20.853 1.612 ( -4.844 -8.207 3.278) 10.078 1.761 ( 5.416 -14.616 2.326) 15.760 2.101 ( -2.236 -11.263 -0.615) 11.499 2.260 ( 1.742 -12.725 13.564) 18.679 2.355 ( -1.067 -4.600 0.915) 4.810 2.501 ( -1.535 -10.136 -2.077) 10.460 2.688 ( -5.935 -7.407 2.435) 9.799 2.718 ( -2.656 -7.370 -4.013) 8.802 2.802 ( -0.938 -1.124 -8.561) 8.686 2.964 ( -0.201 -2.038 -0.944) 2.255 3.054 ( -5.296 1.558 -5.355) 7.690 3.165 ( 5.008 -2.692 9.553) 11.117 3.248 ( 0.526 -0.591 -5.864) 5.917 3.339 ( -4.903 2.264 -1.215) 5.535 3.388 ( 1.727 -3.216 -2.045) 4.184 3.594 ( 1.534 -1.133 2.234) 2.938 3.739 ( 6.407 -1.177 0.250) 6.519 3.847 ( -2.715 -5.903 3.626) 7.441 4.083 ( 4.514 2.792 4.354) 6.865 4.156 ( 3.421 1.929 -1.804) 4.322 4.264 ( 2.742 -2.962 2.689) 4.850 4.447 ( -9.635 -2.135 -6.533) 11.835 4.643 ( 2.160 -0.377 -0.720) 2.307 4.926 ( 5.267 0.720 -3.263) 6.238 4.983 ( -1.119 4.451 0.888) 4.674 5.136 ( -4.587 1.561 -3.008) 5.703 5.166 ( 0.890 -3.762 4.496) 5.929 5.307 ( -4.741 0.401 2.203) 5.243 5.376 ( -0.646 3.582 -0.455) 3.668 5.479 ( -5.391 3.757 5.297) 8.440 5.586 ( 3.336 0.547 -5.068) 6.092 5.854 ( 0.349 8.611 -4.059) 9.526 5.889 ( 2.265 1.822 -1.451) 3.249 5.982 ( 4.101 2.323 2.813) 5.489 6.062 ( 1.780 -4.395 -1.078) 4.863 6.266 ( 1.863 2.328 -2.995) 4.227 6.555 ( -5.516 -2.255 -2.310) 6.391 6.746 ( -3.353 -0.927 0.691) 3.547 7.021 ( 7.455 8.379 1.467) 11.311 7.518 ( -1.748 1.512 0.224) 2.322 7.739 ( 3.463 1.213 0.971) 3.796 7.869 ( 2.701 5.686 -1.378) 6.444 7.911 ( -0.511 2.628 -1.427) 3.033 8.049 ( 0.480 3.277 -3.389) 4.739 8.197 ( -1.598 -6.814 -0.163) 7.001 8.311 ( -5.011 0.882 0.694) 5.135 8.456 ( -3.044 2.298 4.050) 5.563 8.791 ( -10.980 -5.385 1.018) 12.272 9.273 ( -4.494 0.083 1.398) 4.707 9.578 ( 1.869 -2.377 3.974) 4.993 9.700 ( -3.574 0.361 2.930) 4.636 9.850 ( 10.329 6.106 5.288) 13.113 10.355 ( 2.544 -6.528 -7.685) 10.399 10.641 ( -0.728 -4.071 -0.563) 4.173 10.719 ( 4.133 -1.390 1.925) 4.767 10.857 ( 0.086 -0.841 -10.663) 10.696 10.979 ( -3.488 -8.542 -2.987) 9.698 11.013 ( -0.387 -0.769 -4.026) 4.117 11.234 ( 5.191 0.204 1.725) 5.474 11.450 ( -3.984 -3.872 6.872) 8.836 11.696 ( -3.282 3.698 4.360) 6.592 11.832 ( -5.894 -2.248 8.053) 10.230 12.042 ( -5.008 -1.772 -0.756) 5.366 12.259 ( 7.005 9.525 -1.525) 11.921 12.444 ( -0.064 4.823 1.129) 4.954 12.671 ( 1.187 4.431 2.668) 5.307 12.939 ( 1.742 1.103 -4.733) 5.162 13.243 ( -1.282 4.510 10.171) 11.200 13.339 ( -7.311 11.035 -1.588) 13.332 13.414 ( 2.056 -0.482 -3.071) 3.727 13.700 ( -0.105 1.640 -4.205) 4.514 13.965 ( 5.524 -6.667 -4.915) 9.956 14.142 ( -5.031 -2.517 1.737) 5.887 14.564 ( -10.815 -4.807 1.489) 11.928 15.120 ( -13.427 -12.920 1.028) 18.662 16.652 ( 19.958 14.306 -2.102) 24.646 17.275 ( 8.644 3.500 -0.150) 9.327 17.644 ( -0.137 -4.099 -3.036) 5.102 18.073 ( 3.740 -1.960 -3.297) 5.357 20.762 ( -3.466 2.553 3.148) 5.333 21.200 ( 4.175 -0.476 -4.279) 5.997 21.425 ( -2.468 3.898 2.360) 5.182 21.551 ( 1.619 1.989 2.967) 3.922 21.910 ( -4.875 0.344 0.616) 4.926 22.070 ( 7.275 4.624 12.249) 14.978 22.735 ( -5.791 -1.593 -1.958) 6.317 22.919 ( -7.171 -11.123 -8.116) 15.524 23.247 ( -3.007 -9.677 1.315) 10.218 23.265 ( -2.135 -6.963 -2.493) 7.698 23.758 ( -1.932 0.636 -0.798) 2.185 23.771 ( 0.354 -1.665 3.704) 4.076 23.805 ( 0.909 1.379 -1.081) 1.974 23.924 ( 1.924 -1.401 -0.052) 2.381 23.952 ( -0.738 -0.404 -3.488) 3.588 24.606 ( 13.927 17.601 -0.477) 22.450 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.465 2.462 11.901) 12.162 1.789 ( 5.278 -6.965 3.163) 9.293 1.993 ( 0.309 -6.777 -1.404) 6.928 2.199 ( -3.469 -3.253 -0.537) 4.786 2.415 ( -4.040 -6.161 -8.714) 11.411 2.499 ( 7.087 -3.705 8.639) 11.772 2.642 ( -0.036 -3.953 1.643) 4.281 2.712 ( -2.485 -0.651 -2.728) 3.747 2.776 ( -2.286 -1.866 -3.865) 4.863 2.877 ( -0.155 -1.066 -1.156) 1.580 2.909 ( -3.508 -3.387 -2.368) 5.421 3.053 ( -1.618 -7.608 -1.539) 7.929 3.096 ( -9.316 -0.143 -2.243) 9.583 3.264 ( 0.986 -1.094 4.651) 4.879 3.322 ( 2.416 -0.596 -5.682) 6.203 3.488 ( 1.350 -1.900 -1.180) 2.613 3.729 ( -4.263 -5.413 8.057) 10.602 3.791 ( 4.684 -4.532 -0.014) 6.517 4.014 ( 1.169 -4.954 -7.190) 8.809 4.109 ( 8.288 2.107 6.157) 10.538 4.162 ( 10.108 2.983 -1.092) 10.595 4.303 ( -2.298 3.039 7.752) 8.638 4.423 ( -3.958 -4.862 -0.724) 6.310 4.612 ( 2.908 3.789 -1.895) 5.138 4.892 ( -1.702 1.783 -4.029) 4.723 4.929 ( -3.103 -0.429 -0.301) 3.147 5.081 ( -4.028 -2.970 -5.223) 7.234 5.179 ( -0.576 0.747 0.706) 1.178 5.287 ( -2.230 2.736 2.981) 4.620 5.359 ( 2.294 1.276 4.839) 5.505 5.453 ( -5.845 -4.053 5.641) 9.078 5.588 ( 0.806 1.297 -2.155) 2.641 5.748 ( 6.929 4.145 -7.129) 10.771 5.811 ( 1.311 5.378 0.177) 5.539 6.002 ( 3.953 -0.636 3.209) 5.131 6.160 ( -1.744 -5.286 -2.361) 6.047 6.208 ( -2.608 1.041 -2.188) 3.560 6.521 ( -1.442 1.542 -0.606) 2.197 6.740 ( -2.672 -0.570 1.046) 2.926 6.973 ( 7.633 4.517 1.710) 9.033 7.494 ( -1.843 -1.352 -0.726) 2.398 7.726 ( 2.757 2.934 0.781) 4.101 7.764 ( 2.593 6.815 -0.588) 7.316 7.846 ( -1.853 3.371 2.064) 4.365 8.010 ( 1.571 -0.891 -5.106) 5.416 8.233 ( -6.647 1.223 -0.144) 6.760 8.317 ( 0.152 -5.327 1.228) 5.468 8.362 ( -6.444 3.043 3.345) 7.872 8.869 ( -2.958 -5.523 2.624) 6.792 9.226 ( -2.751 0.223 -2.583) 3.780 9.628 ( 0.884 2.217 5.811) 6.282 9.667 ( -5.024 -0.052 -0.537) 5.053 9.855 ( 10.239 5.197 3.929) 12.136 10.439 ( -0.985 -3.451 -1.750) 3.992 10.681 ( 2.423 -3.159 -6.016) 7.214 10.804 ( 2.871 -1.037 -4.319) 5.289 10.847 ( 3.857 -3.073 -2.997) 5.771 10.990 ( -1.232 0.374 -3.283) 3.526 11.120 ( -0.235 -8.190 -3.014) 8.731 11.267 ( 6.147 1.735 -2.639) 6.911 11.450 ( -5.460 2.697 7.085) 9.343 11.674 ( -2.535 -1.620 4.053) 5.048 11.869 ( -7.161 -3.989 6.768) 10.630 12.025 ( -4.621 -0.113 -2.292) 5.159 12.150 ( 4.074 5.178 1.874) 6.849 12.388 ( 2.028 2.661 2.457) 4.151 12.603 ( -2.266 2.816 1.524) 3.923 12.824 ( -5.275 7.683 -3.663) 10.014 13.119 ( -0.250 3.164 -6.353) 7.101 13.273 ( 10.364 2.881 8.422) 13.662 13.460 ( 3.072 -0.197 -1.081) 3.262 13.670 ( 0.003 -0.980 -3.003) 3.159 14.095 ( 2.127 -4.627 -2.555) 5.698 14.142 ( -8.271 -2.662 1.375) 8.797 14.589 ( -4.260 -4.504 1.429) 6.362 15.240 ( -11.206 -10.305 1.480) 15.296 16.537 ( 12.621 12.394 1.255) 17.733 17.250 ( 5.071 4.209 -2.608) 7.088 17.689 ( -2.444 -3.454 -0.090) 4.232 18.114 ( 2.982 -1.002 -3.143) 4.447 20.707 ( -3.017 2.236 3.344) 5.029 21.188 ( 3.097 2.127 -4.755) 6.060 21.372 ( -2.397 0.889 1.621) 3.027 21.556 ( 1.129 0.076 1.047) 1.541 21.915 ( 1.426 -1.677 -0.819) 2.349 22.035 ( 2.899 8.087 8.449) 12.049 22.736 ( -4.509 -4.026 -1.645) 6.264 23.012 ( -4.969 -8.219 -5.700) 11.168 23.321 ( -2.984 -4.856 -1.321) 5.851 23.441 ( 0.561 -8.272 0.734) 8.323 23.720 ( -1.421 1.238 -0.839) 2.063 23.770 ( -0.493 0.577 0.541) 0.932 23.835 ( -0.721 -2.276 1.204) 2.674 23.950 ( 0.035 -0.871 -1.414) 1.661 23.964 ( 2.333 -0.029 0.510) 2.388 24.382 ( 8.066 15.887 1.008) 17.846 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -9.846 10.346 10.986) 18.019 1.829 ( 1.265 9.571 1.737) 9.809 2.023 ( 2.405 3.350 4.694) 6.248 2.286 ( 0.400 -7.731 -0.085) 7.742 2.384 ( -0.627 3.618 -7.301) 8.172 2.528 ( -0.704 6.094 -6.119) 8.665 2.665 ( 2.915 0.130 -4.856) 5.665 2.709 ( 2.914 0.246 4.231) 5.143 2.766 ( 0.116 2.060 -0.226) 2.076 2.867 ( -0.064 -7.002 -3.699) 7.919 3.017 ( -4.647 -2.228 -0.994) 5.249 3.060 ( -3.200 -5.641 4.636) 7.972 3.186 ( -0.803 -4.363 1.960) 4.850 3.230 ( 0.227 4.571 -8.217) 9.405 3.394 ( 3.622 -5.385 2.513) 6.959 3.530 ( 2.115 -0.765 -0.879) 2.415 3.767 ( -7.992 -4.006 6.693) 11.168 3.913 ( 1.980 4.684 5.013) 7.141 3.994 ( -0.363 5.624 1.322) 5.789 4.097 ( 4.103 -1.949 -5.005) 6.759 4.139 ( 4.152 2.794 -6.144) 7.925 4.287 ( 3.396 4.223 6.559) 8.508 4.449 ( -3.500 0.794 -1.814) 4.022 4.600 ( 0.610 -0.764 1.189) 1.539 4.829 ( -1.315 1.054 -1.057) 1.989 4.934 ( 1.518 -1.911 -2.306) 3.358 5.085 ( -3.238 -2.626 -1.713) 4.507 5.200 ( 0.043 -0.547 4.562) 4.595 5.297 ( 1.292 -2.058 -2.664) 3.606 5.385 ( 0.019 -2.298 2.183) 3.169 5.461 ( -5.310 0.333 4.108) 6.722 5.592 ( 2.166 6.126 0.345) 6.507 5.611 ( -2.329 -0.186 1.510) 2.782 5.835 ( 7.608 -1.525 -5.177) 9.328 6.062 ( 1.290 -2.078 -4.385) 5.021 6.183 ( -2.483 -1.698 4.512) 5.423 6.222 ( -3.061 -3.932 -0.338) 4.994 6.463 ( -0.146 4.103 0.122) 4.107 6.741 ( -1.588 -2.275 -2.644) 3.832 6.989 ( 5.302 1.259 1.233) 5.587 7.525 ( -0.813 -3.404 -0.896) 3.613 7.679 ( 1.242 3.102 -1.380) 3.615 7.727 ( 1.828 -0.716 1.080) 2.241 7.789 ( 1.047 2.156 1.331) 2.742 8.041 ( -1.557 -4.535 -3.565) 5.975 8.185 ( -3.221 -0.634 2.964) 4.423 8.285 ( -4.074 1.126 1.155) 4.382 8.420 ( 1.043 -3.468 1.240) 3.828 8.916 ( -0.655 1.152 4.905) 5.081 9.231 ( -2.391 -4.895 -2.479) 5.985 9.554 ( -1.487 6.410 3.359) 7.388 9.638 ( -1.844 0.608 0.260) 1.959 9.853 ( 5.998 4.676 1.392) 7.731 10.419 ( -6.466 0.841 0.202) 6.524 10.751 ( 3.456 -0.135 -5.297) 6.326 10.805 ( 9.471 -0.294 -3.488) 10.097 10.880 ( -0.494 3.035 -3.910) 4.975 10.989 ( -0.974 -5.490 -1.552) 5.787 11.195 ( 2.179 0.721 -7.409) 7.756 11.238 ( -0.538 1.140 2.912) 3.173 11.447 ( 2.410 -0.464 1.582) 2.920 11.705 ( -5.188 -3.354 6.271) 8.803 11.934 ( 0.859 0.859 -3.541) 3.744 11.943 ( 0.862 0.069 0.298) 0.915 12.173 ( -8.125 -4.814 9.537) 13.422 12.400 ( 3.504 1.557 3.739) 5.356 12.557 ( -2.898 0.344 1.266) 3.181 12.622 ( -4.187 4.993 -3.922) 7.605 13.089 ( 0.745 -1.718 -5.161) 5.491 13.330 ( 12.762 4.758 -1.152) 13.669 13.506 ( 5.131 -1.804 4.050) 6.781 13.693 ( 2.910 -0.726 -2.159) 3.696 14.108 ( -6.352 -0.431 1.788) 6.613 14.138 ( -6.659 -2.778 -2.489) 7.632 14.679 ( 3.119 -3.861 2.290) 5.466 15.325 ( -9.302 -7.401 0.738) 11.910 16.424 ( 4.869 8.649 3.043) 10.382 17.191 ( 1.828 3.199 -3.761) 5.264 17.743 ( -2.346 -4.585 0.057) 5.151 18.123 ( 2.350 0.684 -3.308) 4.115 20.669 ( -2.638 0.908 3.552) 4.517 21.149 ( 2.441 1.463 -4.603) 5.412 21.352 ( -1.617 0.637 2.325) 2.902 21.574 ( 0.402 -0.407 0.722) 0.921 21.846 ( -0.242 7.768 -1.022) 7.839 22.081 ( 3.558 -5.921 3.608) 7.793 22.771 ( -1.203 -2.501 -0.700) 2.862 23.081 ( -1.416 -4.658 -2.393) 5.425 23.367 ( -0.814 -2.358 -1.136) 2.740 23.549 ( 1.943 -0.900 0.436) 2.185 23.674 ( -2.422 1.732 -0.500) 3.020 23.782 ( 0.208 -1.455 0.947) 1.749 23.857 ( -3.363 -0.911 0.020) 3.484 23.943 ( 1.576 1.894 -1.607) 2.941 23.981 ( 0.727 -1.104 1.022) 1.671 24.192 ( 1.780 8.732 1.109) 8.980 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -13.108 13.556 14.690) 23.904 1.565 ( 0.689 19.651 8.902) 21.585 1.912 ( -0.869 14.532 5.230) 15.469 2.194 ( 2.105 12.845 -6.069) 14.362 2.353 ( -1.546 5.971 -7.438) 9.663 2.413 ( 4.847 -1.035 3.104) 5.848 2.618 ( 3.320 5.278 -4.443) 7.656 2.722 ( 4.048 1.064 -3.061) 5.185 2.786 ( 0.901 -3.548 0.940) 3.779 2.941 ( -0.671 2.166 1.798) 2.894 2.984 ( -3.182 -0.512 -1.359) 3.498 3.065 ( -0.203 8.069 2.232) 8.374 3.207 ( 0.234 2.142 -0.494) 2.211 3.223 ( -0.506 -4.925 0.596) 4.986 3.407 ( 0.600 4.113 0.365) 4.173 3.548 ( -0.596 3.408 -1.759) 3.882 3.762 ( -3.572 -0.618 10.289) 10.909 3.835 ( 0.520 -2.920 -3.887) 4.890 3.973 ( -4.379 0.332 1.503) 4.642 4.095 ( 2.691 -1.528 -8.652) 9.189 4.128 ( -0.032 0.969 -4.610) 4.711 4.298 ( 4.341 4.373 0.386) 6.174 4.330 ( 0.469 4.189 3.777) 5.660 4.637 ( -0.963 -2.797 1.893) 3.512 4.798 ( -1.006 1.237 0.973) 1.867 5.015 ( 9.163 -2.166 -4.244) 10.328 5.108 ( -3.141 -2.596 4.575) 6.126 5.269 ( -1.674 -0.476 1.133) 2.076 5.296 ( -0.192 -4.548 1.122) 4.688 5.376 ( -7.694 3.343 0.866) 8.433 5.418 ( -1.164 1.146 0.310) 1.662 5.550 ( 3.376 -2.644 -0.652) 4.337 5.670 ( -2.331 -3.034 2.858) 4.776 5.907 ( 7.883 -1.084 -4.978) 9.386 6.029 ( -4.242 -0.618 -9.562) 10.479 6.234 ( 1.613 5.330 1.295) 5.717 6.270 ( -2.241 -6.442 0.921) 6.882 6.413 ( -1.410 -1.662 7.454) 7.767 6.766 ( 2.435 -2.459 -7.164) 7.956 7.000 ( 0.422 0.755 -0.942) 1.279 7.605 ( -0.996 -5.063 0.532) 5.188 7.653 ( 0.690 -1.317 -3.353) 3.668 7.778 ( 0.525 -3.151 3.344) 4.625 7.823 ( 1.818 -3.574 -2.573) 4.765 8.091 ( -3.850 -2.326 1.180) 4.650 8.209 ( 1.042 -0.731 -0.391) 1.332 8.275 ( 0.645 -1.147 1.449) 1.957 8.479 ( -0.212 -2.028 0.806) 2.193 8.905 ( 1.004 2.641 9.661) 10.065 9.327 ( -2.654 -7.423 0.486) 7.898 9.448 ( 0.180 3.831 -0.600) 3.882 9.597 ( -1.839 3.579 2.083) 4.531 9.781 ( -0.429 5.241 -0.148) 5.260 10.357 ( -1.226 1.884 1.946) 2.973 10.687 ( 0.860 4.440 -0.986) 4.629 10.751 ( -0.706 3.898 -9.904) 10.667 10.912 ( 6.204 0.877 3.491) 7.172 11.089 ( -0.833 -5.741 -3.074) 6.565 11.127 ( 4.250 1.473 -8.933) 10.001 11.222 ( -2.184 1.847 2.092) 3.543 11.461 ( 2.509 1.034 -0.622) 2.784 11.787 ( -4.356 -4.141 5.851) 8.388 11.885 ( 5.221 2.169 -1.207) 5.781 11.996 ( -0.225 -3.361 -0.646) 3.430 12.256 ( -8.982 -6.206 7.156) 13.054 12.385 ( 2.054 3.950 2.617) 5.165 12.472 ( -1.384 3.865 0.721) 4.168 12.681 ( 0.457 -10.174 2.678) 10.531 13.124 ( 0.998 -3.837 -4.527) 6.018 13.332 ( 5.231 1.991 -0.175) 5.600 13.622 ( 9.001 -0.676 0.862) 9.067 13.707 ( 4.745 1.360 -0.940) 5.025 14.052 ( -1.155 3.953 -1.577) 4.410 14.101 ( -11.121 -3.788 -0.096) 11.749 14.774 ( 4.921 -0.217 2.921) 5.727 15.365 ( -5.142 -3.916 -1.960) 6.754 16.338 ( -3.965 3.197 4.810) 7.006 17.127 ( -0.315 2.172 -3.470) 4.106 17.808 ( -1.553 -4.504 -3.988) 6.213 18.096 ( 2.180 2.115 -3.806) 4.869 20.678 ( -2.301 -1.790 5.492) 6.218 21.129 ( 2.491 0.297 -4.919) 5.522 21.354 ( -0.321 -0.080 4.909) 4.920 21.565 ( -0.938 1.622 -1.471) 2.382 21.705 ( -0.582 6.056 2.358) 6.525 22.270 ( -0.060 -10.940 -2.120) 11.144 22.792 ( 0.388 -0.253 -0.109) 0.476 23.159 ( 5.826 -2.106 2.987) 6.877 23.383 ( 0.750 -0.132 -1.274) 1.484 23.490 ( 2.694 8.602 -0.538) 9.030 23.628 ( -1.936 0.557 0.968) 2.235 23.766 ( 0.827 3.849 1.096) 4.086 23.854 ( -4.416 -3.105 -2.325) 5.878 23.920 ( -0.105 1.558 -1.391) 2.091 24.015 ( 1.056 -0.149 -0.986) 1.453 24.098 ( -4.381 -0.028 1.464) 4.619 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -12.774 14.929 18.982) 27.320 1.261 ( 3.240 21.686 16.836) 27.645 1.556 ( 6.307 26.732 11.750) 29.874 1.912 ( 0.979 15.422 0.904) 15.480 2.198 ( -4.231 4.632 -6.417) 8.974 2.428 ( 2.564 6.195 6.284) 9.190 2.451 ( 1.454 12.121 -5.264) 13.294 2.677 ( 10.112 10.031 -7.495) 16.095 2.795 ( -1.840 7.273 4.763) 8.887 2.850 ( -2.564 7.050 -0.626) 7.528 2.890 ( -1.164 7.619 2.646) 8.149 2.997 ( 1.239 -6.684 0.460) 6.813 3.126 ( 0.680 1.856 2.748) 3.385 3.305 ( -0.268 -1.928 -1.485) 2.449 3.322 ( -1.507 0.472 -1.656) 2.289 3.608 ( 3.186 -6.566 -1.466) 7.444 3.756 ( -4.415 2.422 -2.761) 5.743 3.878 ( -3.076 -2.365 1.776) 4.267 3.926 ( -9.865 -2.099 -3.137) 10.562 4.002 ( -2.746 2.844 -2.513) 4.684 4.143 ( 3.660 0.196 -8.170) 8.955 4.208 ( 2.363 0.626 -3.402) 4.189 4.392 ( 7.175 2.101 8.444) 11.278 4.722 ( -1.110 -5.643 2.194) 6.156 4.792 ( 2.513 1.385 2.243) 3.642 5.020 ( 4.135 5.292 -4.291) 7.969 5.182 ( -10.084 3.298 -2.131) 10.822 5.224 ( -2.128 -1.242 5.808) 6.308 5.273 ( 1.944 -8.029 1.382) 8.376 5.422 ( -1.070 -4.446 0.746) 4.634 5.497 ( -0.528 -8.517 1.251) 8.624 5.636 ( 3.946 -2.384 -1.566) 4.869 5.710 ( 0.646 -2.769 0.915) 2.987 5.929 ( 3.431 2.097 -4.169) 5.792 5.973 ( 0.296 -1.046 -6.769) 6.855 6.058 ( -2.126 9.344 -0.953) 9.630 6.324 ( -4.739 -1.498 0.028) 4.970 6.601 ( 4.199 -9.918 7.938) 13.380 6.790 ( 4.454 -0.834 -8.861) 9.952 6.957 ( -1.392 2.201 -2.014) 3.292 7.624 ( -1.199 -0.393 -1.082) 1.662 7.737 ( -1.016 -4.940 -2.542) 5.647 7.880 ( -0.739 -4.993 -1.554) 5.281 7.887 ( 1.668 -4.281 -1.847) 4.952 8.088 ( -1.535 -0.998 0.880) 2.031 8.171 ( 1.489 5.876 -0.764) 6.110 8.319 ( 1.798 -0.275 2.526) 3.113 8.492 ( -2.821 -0.085 -0.534) 2.872 8.976 ( 1.508 -1.348 15.446) 15.578 9.389 ( -8.021 -4.257 2.083) 9.316 9.479 ( -1.527 0.767 0.155) 1.716 9.511 ( 4.887 -1.417 0.763) 5.145 9.704 ( -1.882 1.927 2.140) 3.440 10.353 ( 4.861 1.855 2.720) 5.871 10.595 ( -2.877 5.807 -9.826) 11.770 10.633 ( 1.665 2.569 0.684) 3.137 10.899 ( 3.493 4.616 1.250) 5.922 11.081 ( 7.281 1.538 -7.974) 10.907 11.170 ( 1.154 1.241 -4.244) 4.570 11.195 ( -8.031 -5.886 0.361) 9.964 11.469 ( 1.921 -0.102 0.910) 2.128 11.829 ( -3.977 -2.955 1.981) 5.336 11.862 ( -1.972 3.297 -0.446) 3.868 12.084 ( 1.149 -3.915 0.485) 4.109 12.278 ( -8.532 -0.211 3.570) 9.251 12.368 ( 3.151 -0.621 3.354) 4.643 12.468 ( 1.508 -1.617 4.046) 4.610 12.969 ( 0.782 -15.877 7.976) 17.785 13.183 ( -0.486 -4.256 -5.568) 7.025 13.354 ( 2.992 -0.695 3.563) 4.704 13.617 ( -1.814 3.018 -2.677) 4.423 13.753 ( 6.349 0.479 0.970) 6.441 13.940 ( 7.633 7.608 -1.974) 10.956 14.117 ( -7.011 -6.266 -1.185) 9.477 14.778 ( 0.797 4.635 4.722) 6.665 15.375 ( 2.472 -0.826 -6.934) 7.408 16.281 ( -10.672 -0.306 6.562) 12.531 17.073 ( 1.251 1.825 -3.402) 4.059 17.797 ( -1.961 1.321 -11.719) 11.955 18.046 ( 2.427 2.870 -4.454) 5.828 20.761 ( -2.717 -5.403 8.213) 10.199 21.122 ( 3.556 0.438 -4.838) 6.021 21.419 ( 0.135 -3.719 7.658) 8.515 21.485 ( -1.611 3.249 -1.237) 3.832 21.653 ( 1.022 3.043 6.993) 7.695 22.402 ( -11.363 -9.919 -9.034) 17.582 22.790 ( 0.411 0.563 0.023) 0.697 23.186 ( -3.021 6.191 -0.866) 6.943 23.360 ( 2.601 2.780 -2.559) 4.587 23.456 ( 6.188 0.302 6.566) 9.027 23.639 ( -1.000 1.822 2.816) 3.500 23.720 ( 1.414 3.739 1.906) 4.429 23.754 ( 9.442 3.815 -4.942) 11.319 23.897 ( -0.550 -0.719 -1.322) 1.602 24.003 ( -0.422 -0.770 -1.427) 1.676 24.130 ( -4.164 -4.152 0.919) 5.952 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.091 -0.000 -7.520) 9.081 1.344 ( 10.899 -0.000 12.549) 16.621 1.410 ( 16.445 -0.000 5.261) 17.266 1.726 ( -5.597 0.000 -2.766) 6.243 1.790 ( -14.165 0.000 17.244) 22.316 2.234 ( -4.071 0.000 -9.112) 9.980 2.389 ( 12.147 -0.000 5.949) 13.526 2.548 ( -4.142 0.000 7.160) 8.271 2.619 ( 7.742 -0.000 9.451) 12.217 2.650 ( -5.987 0.000 -8.147) 10.110 2.791 ( 11.027 -0.000 -4.939) 12.082 3.029 ( -0.273 0.000 11.966) 11.969 3.085 ( -7.401 0.000 -6.417) 9.796 3.215 ( 1.395 -0.000 -4.683) 4.886 3.415 ( 0.625 -0.000 -3.242) 3.302 3.556 ( -5.881 0.000 -3.121) 6.658 3.646 ( 2.593 -0.000 2.758) 3.786 3.759 ( -5.931 0.000 1.957) 6.246 3.781 ( -1.101 0.000 -4.430) 4.565 4.040 ( -2.283 0.000 8.700) 8.994 4.170 ( 8.084 -0.000 -9.390) 12.390 4.239 ( 1.142 -0.000 4.838) 4.971 4.363 ( -8.014 0.000 -6.134) 10.092 4.532 ( -0.759 0.000 7.000) 7.041 5.015 ( 4.897 -0.000 -4.359) 6.556 5.053 ( 9.674 -0.000 -1.771) 9.835 5.117 ( 5.098 -0.000 -1.244) 5.247 5.162 ( -5.729 0.000 -2.616) 6.298 5.334 ( -9.895 0.000 -0.046) 9.895 5.415 ( -4.707 0.000 1.890) 5.072 5.535 ( -5.143 0.000 2.259) 5.618 5.755 ( 4.542 -0.000 -1.313) 4.728 5.846 ( -3.916 0.000 2.229) 4.506 5.987 ( 5.316 -0.000 3.076) 6.142 6.111 ( 4.832 -0.000 -1.279) 4.999 6.195 ( 7.601 -0.000 2.543) 8.015 6.253 ( -8.780 0.000 -8.075) 11.929 6.424 ( -3.211 0.000 3.292) 4.599 6.674 ( -2.715 0.000 -2.760) 3.871 7.301 ( 8.176 -0.000 -7.758) 11.271 7.594 ( 1.630 -0.000 0.445) 1.689 7.768 ( 1.349 -0.000 -3.585) 3.831 7.770 ( 3.802 -0.000 -0.110) 3.804 8.072 ( -1.033 0.000 -2.044) 2.290 8.083 ( 2.505 -0.000 -2.100) 3.269 8.115 ( -0.017 0.000 -1.081) 1.081 8.279 ( -3.872 0.000 -0.711) 3.937 8.432 ( 0.510 -0.000 4.817) 4.844 8.799 ( -22.186 0.000 5.094) 22.764 9.162 ( -8.219 0.000 3.029) 8.759 9.538 ( -1.599 0.000 5.685) 5.905 9.764 ( 0.280 -0.000 2.636) 2.651 9.943 ( 5.583 -0.000 5.497) 7.835 10.107 ( 1.451 -0.000 -4.883) 5.094 10.579 ( -4.896 0.000 1.274) 5.059 10.621 ( 5.277 -0.000 2.471) 5.827 10.838 ( -1.309 0.000 -4.877) 5.049 10.844 ( 0.623 -0.000 -6.069) 6.101 10.984 ( -5.529 0.000 -2.259) 5.973 11.244 ( 3.128 -0.000 7.143) 7.798 11.347 ( -1.965 0.000 7.106) 7.373 11.782 ( 4.311 -0.000 5.685) 7.135 11.835 ( -0.567 0.000 0.669) 0.877 11.992 ( -6.345 0.000 -4.385) 7.713 12.501 ( 4.100 -0.000 7.088) 8.189 12.615 ( 5.689 -0.000 -0.809) 5.746 12.753 ( 6.351 -0.000 3.154) 7.091 12.960 ( -10.813 0.000 -1.634) 10.936 13.174 ( 5.545 -0.000 -7.426) 9.268 13.430 ( -7.085 0.000 2.162) 7.408 13.716 ( 8.528 -0.000 -0.452) 8.540 13.785 ( 4.633 -0.000 -7.845) 9.110 13.905 ( -14.945 0.000 -8.726) 17.306 14.107 ( -6.059 0.000 4.728) 7.685 14.499 ( -15.705 0.000 9.461) 18.334 14.585 ( -12.903 0.000 -1.636) 13.006 17.109 ( 28.590 -0.000 -16.655) 33.087 17.358 ( 10.669 -0.000 4.322) 11.511 17.453 ( 3.218 -0.000 4.153) 5.254 18.026 ( 4.407 -0.000 -3.407) 5.571 20.816 ( -3.444 0.000 -0.284) 3.455 21.166 ( 5.038 -0.000 -2.201) 5.497 21.567 ( -3.521 0.000 3.327) 4.844 21.675 ( -4.417 0.000 1.779) 4.762 21.916 ( -6.181 0.000 7.489) 9.711 22.105 ( 7.931 -0.000 13.571) 15.719 22.534 ( -5.048 0.000 -4.428) 6.715 22.873 ( -1.447 0.000 1.903) 2.390 22.909 ( -2.576 0.000 -1.293) 2.882 23.117 ( -4.414 0.000 -5.978) 7.431 23.727 ( 2.058 -0.000 6.151) 6.487 23.763 ( -1.847 0.000 0.415) 1.893 23.871 ( 4.025 -0.000 -1.067) 4.164 23.877 ( -1.713 0.000 -4.059) 4.406 23.943 ( -2.314 0.000 -3.893) 4.529 25.029 ( 13.643 -0.000 -8.171) 15.902 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -1.713 -13.874 -12.206) 18.558 1.506 ( 10.064 -6.199 11.935) 16.798 1.691 ( 14.348 -5.551 8.527) 17.589 1.798 ( -4.694 -12.004 -2.999) 13.233 1.971 ( -5.669 -18.201 10.160) 21.602 2.202 ( -1.164 -4.767 -9.173) 10.403 2.463 ( 4.940 -0.518 2.155) 5.414 2.580 ( -4.015 -2.180 7.051) 8.402 2.627 ( -4.551 -2.481 -1.015) 5.282 2.659 ( -4.787 -2.991 -2.072) 6.013 2.897 ( 0.801 -4.072 -3.871) 5.675 2.994 ( -2.819 1.417 -3.885) 5.005 3.125 ( 3.827 -4.313 -7.536) 9.489 3.272 ( 1.070 1.905 10.024) 10.260 3.313 ( 1.811 0.987 2.764) 3.448 3.553 ( -1.564 5.584 0.182) 5.802 3.592 ( -2.389 2.055 -2.322) 3.915 3.730 ( 3.749 -3.735 6.086) 8.065 3.777 ( 0.228 0.381 -0.027) 0.445 4.091 ( -3.125 -4.064 -4.464) 6.798 4.175 ( 4.737 -3.822 -10.317) 11.978 4.259 ( 1.899 0.238 7.553) 7.792 4.345 ( -1.119 0.530 2.012) 2.363 4.613 ( -0.441 -3.846 4.348) 5.822 4.992 ( 4.562 2.021 -5.833) 7.676 5.051 ( -5.182 2.248 -0.234) 5.653 5.122 ( 3.589 -1.654 -4.922) 6.312 5.176 ( 4.040 1.716 1.616) 4.677 5.219 ( -9.909 2.310 -0.964) 10.220 5.414 ( -0.399 0.138 3.672) 3.696 5.499 ( -5.080 1.005 5.037) 7.224 5.681 ( 0.792 6.991 -1.148) 7.129 5.867 ( 1.547 -3.252 -0.855) 3.701 6.018 ( -2.881 9.783 -5.142) 11.422 6.035 ( 4.629 0.789 3.338) 5.761 6.119 ( 3.382 2.726 -1.264) 4.524 6.318 ( 3.300 1.159 -1.297) 3.731 6.413 ( -5.984 -4.642 2.282) 7.910 6.679 ( -2.433 -2.523 -1.118) 3.679 7.238 ( 6.616 7.454 -4.980) 11.142 7.585 ( 1.467 3.537 3.466) 5.165 7.776 ( 3.852 -0.894 -0.451) 3.980 7.859 ( 2.282 -3.525 -3.022) 5.173 8.006 ( 2.214 4.399 -2.598) 5.568 8.091 ( -3.467 -1.522 2.047) 4.304 8.109 ( 2.678 2.036 -3.235) 4.667 8.265 ( -3.889 -1.909 0.502) 4.362 8.468 ( -2.365 -1.138 3.105) 4.066 8.621 ( -16.671 0.375 3.145) 16.969 9.190 ( -5.358 -5.297 1.953) 7.784 9.541 ( -1.234 -1.571 -2.164) 2.945 9.747 ( -1.366 3.362 7.298) 8.151 10.041 ( 7.957 0.455 5.243) 9.540 10.167 ( 2.173 -8.473 -8.800) 12.408 10.547 ( -5.900 -0.599 0.039) 5.930 10.695 ( 0.682 -3.466 1.225) 3.739 10.813 ( -3.256 -2.606 -1.883) 4.576 10.847 ( 6.457 -0.701 -8.473) 10.676 10.945 ( -4.307 -1.673 -1.740) 4.937 11.311 ( 5.131 0.874 6.126) 8.039 11.395 ( -2.688 -2.745 8.838) 9.637 11.786 ( -1.318 4.159 1.541) 4.627 11.831 ( -0.502 1.528 4.781) 5.044 11.938 ( -5.554 -2.584 -3.891) 7.257 12.495 ( 5.550 6.700 2.369) 9.018 12.556 ( 3.873 7.784 -2.219) 8.973 12.764 ( -0.860 4.053 0.934) 4.247 12.944 ( 1.571 -2.728 0.625) 3.209 13.270 ( 4.251 -6.635 -4.591) 9.119 13.322 ( -6.641 3.814 4.465) 8.865 13.586 ( -9.295 13.988 -3.757) 17.210 13.733 ( 4.386 3.085 -6.544) 8.460 13.860 ( 6.384 -5.923 -4.643) 9.869 14.086 ( -5.854 -0.421 4.698) 7.518 14.392 ( -10.595 -3.247 2.197) 11.297 14.721 ( -13.994 -16.427 1.752) 21.650 17.089 ( 20.384 13.638 -5.583) 25.153 17.430 ( 7.555 3.530 4.118) 9.300 17.560 ( 1.395 -4.080 0.262) 4.320 18.058 ( 3.945 -1.293 -3.119) 5.193 20.779 ( -2.867 1.099 0.768) 3.165 21.203 ( 4.509 -0.558 -2.774) 5.323 21.507 ( -2.913 4.436 2.581) 5.901 21.609 ( -2.293 2.574 0.853) 3.551 21.886 ( -3.210 0.719 0.228) 3.297 22.269 ( 8.618 -0.457 15.738) 17.948 22.601 ( -5.368 -9.241 -0.472) 10.697 22.685 ( -8.818 4.386 -7.540) 12.404 23.042 ( -3.887 -9.825 -0.849) 10.600 23.135 ( 1.535 -4.804 -0.452) 5.063 23.744 ( -1.594 0.222 -1.069) 1.932 23.780 ( 1.322 -0.709 4.526) 4.768 23.823 ( -0.925 1.467 -3.227) 3.664 23.902 ( 1.341 -1.441 -4.371) 4.794 23.939 ( 1.435 -0.444 3.396) 3.714 24.975 ( 10.071 11.341 -5.402) 16.100 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -1.619 -14.425 0.424) 14.521 1.787 ( 7.335 -7.261 7.841) 12.961 1.871 ( 4.286 -1.448 3.277) 5.586 2.042 ( 1.389 -13.156 -0.654) 13.245 2.149 ( -4.448 -8.251 -14.479) 17.249 2.434 ( 0.135 -16.048 3.679) 16.465 2.534 ( -4.337 -6.206 -0.209) 7.574 2.588 ( -2.156 -4.253 -4.915) 6.848 2.684 ( -4.134 -6.083 0.810) 7.399 2.732 ( 2.011 -4.522 10.495) 11.603 2.885 ( -4.353 0.192 -4.312) 6.130 2.950 ( -0.920 -0.572 -0.457) 1.176 3.092 ( -0.607 3.552 -12.835) 13.331 3.245 ( -1.728 -1.105 1.534) 2.561 3.341 ( -0.568 4.689 5.529) 7.272 3.491 ( 4.152 -0.414 5.952) 7.269 3.667 ( -2.205 -4.089 4.635) 6.563 3.746 ( 0.626 -4.356 -0.594) 4.441 3.865 ( 0.863 -3.775 -4.170) 5.690 4.201 ( 5.422 -3.856 -5.967) 8.937 4.254 ( 8.030 -2.994 0.719) 8.600 4.287 ( -1.446 -1.324 -1.870) 2.709 4.360 ( 1.393 -0.138 8.013) 8.134 4.670 ( 3.372 -2.197 -3.622) 5.415 4.891 ( -4.717 5.424 -4.390) 8.423 4.965 ( -4.618 4.945 4.270) 8.000 5.050 ( -2.546 4.847 0.060) 5.475 5.192 ( 0.377 -0.202 -0.551) 0.698 5.230 ( -1.087 -8.577 -3.310) 9.258 5.390 ( -1.647 3.514 9.179) 9.965 5.436 ( -5.221 3.394 5.044) 8.014 5.668 ( 8.770 0.921 -2.215) 9.093 5.803 ( 0.990 5.979 -6.404) 8.817 5.910 ( 1.950 0.606 -3.112) 3.722 6.069 ( 1.035 3.492 1.203) 3.836 6.097 ( 3.187 -1.445 4.092) 5.384 6.231 ( -2.794 4.836 -1.875) 5.891 6.484 ( -2.512 -3.583 1.133) 4.520 6.695 ( -3.019 -1.845 -0.134) 3.541 7.133 ( 5.075 6.547 -2.308) 8.599 7.520 ( -0.644 4.698 2.772) 5.493 7.814 ( 3.247 2.461 0.228) 4.080 7.869 ( -0.253 -0.112 -1.202) 1.234 7.932 ( 4.889 6.736 -0.163) 8.325 8.036 ( 1.409 4.011 -2.368) 4.866 8.159 ( -1.262 -5.111 -1.241) 5.409 8.238 ( -5.665 -0.062 2.721) 6.285 8.398 ( -7.586 3.965 4.440) 9.643 8.673 ( -4.083 -11.470 1.647) 12.286 9.222 ( -1.727 -0.606 -1.654) 2.467 9.558 ( -2.397 -3.666 -6.531) 7.864 9.718 ( -1.840 2.884 9.256) 9.868 10.072 ( 8.712 5.752 3.574) 11.034 10.347 ( 5.725 -9.990 -8.641) 14.396 10.497 ( -9.303 -2.895 -3.015) 10.199 10.764 ( 2.336 -3.298 -3.695) 5.476 10.868 ( 0.479 -3.616 -2.423) 4.379 10.883 ( 0.637 -3.219 -1.340) 3.544 10.981 ( 2.209 -5.562 -2.895) 6.647 11.339 ( 1.863 2.000 1.510) 3.122 11.483 ( -1.207 -1.370 11.097) 11.246 11.690 ( -3.890 2.062 0.968) 4.508 11.786 ( -7.226 2.257 5.234) 9.203 11.939 ( -2.401 -2.427 -2.325) 4.131 12.372 ( 6.706 11.040 -0.762) 12.940 12.472 ( 2.196 3.356 -0.489) 4.041 12.663 ( -2.107 5.233 0.815) 5.700 12.932 ( 0.112 5.953 -2.043) 6.295 13.150 ( -5.968 6.987 -4.133) 10.075 13.397 ( 1.593 -2.086 6.121) 6.660 13.462 ( 7.404 -3.687 -1.523) 8.410 13.659 ( 1.752 3.024 -5.859) 6.822 13.984 ( 0.479 -4.774 -2.275) 5.310 14.071 ( -5.189 -0.798 3.849) 6.509 14.442 ( -4.642 -7.562 1.723) 9.039 14.910 ( -11.560 -14.335 1.018) 18.443 16.943 ( 14.611 16.312 0.427) 21.903 17.393 ( 4.614 6.580 0.244) 8.040 17.615 ( -2.355 -2.443 2.109) 3.995 18.100 ( 3.109 -1.511 -2.974) 4.560 20.735 ( -2.645 1.819 1.708) 3.637 21.219 ( 3.828 0.810 -4.568) 6.015 21.411 ( -2.599 3.890 2.678) 5.391 21.570 ( -0.379 0.745 -0.009) 0.836 21.873 ( -0.842 -2.039 -2.553) 3.374 22.283 ( 0.884 11.906 5.375) 13.093 22.581 ( -4.060 -7.309 -1.846) 8.562 22.786 ( -2.576 -10.408 1.679) 10.852 23.175 ( -1.896 -7.697 -0.674) 7.956 23.283 ( 0.957 -8.685 0.995) 8.794 23.718 ( -1.177 0.580 -1.434) 1.944 23.781 ( -0.757 0.881 -1.800) 2.142 23.817 ( 0.416 -0.571 2.386) 2.488 23.919 ( 0.463 -1.455 -1.970) 2.492 23.987 ( 1.985 -0.404 3.685) 4.205 24.755 ( 6.575 16.615 -3.312) 18.173 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.141 5.596 7.429) 11.727 1.965 ( 4.554 -1.103 4.546) 6.528 1.987 ( 0.726 -8.839 2.244) 9.148 2.114 ( -3.346 -6.228 -5.352) 8.867 2.328 ( 6.447 -7.533 -3.162) 10.408 2.509 ( -4.297 -1.633 -13.974) 14.711 2.613 ( -3.291 -5.657 -2.060) 6.862 2.666 ( -0.385 -4.521 -1.102) 4.670 2.787 ( 1.211 0.638 -1.189) 1.813 2.871 ( 1.243 -6.267 2.532) 6.872 2.913 ( 1.791 1.330 2.855) 3.623 2.944 ( -2.318 -3.806 2.396) 5.059 3.058 ( -0.104 -8.106 4.073) 9.072 3.209 ( -3.901 0.883 -2.731) 4.843 3.386 ( 6.078 -3.403 -0.739) 7.005 3.538 ( 1.259 0.570 4.435) 4.645 3.677 ( -6.492 -2.028 3.660) 7.723 3.901 ( -1.492 -3.860 -5.208) 6.652 3.987 ( 7.403 -10.380 6.633) 14.372 4.146 ( -2.345 2.030 -8.958) 9.479 4.182 ( -2.290 8.575 -2.113) 9.123 4.387 ( -1.044 -0.624 -3.144) 3.371 4.433 ( 4.658 0.230 4.168) 6.255 4.671 ( 1.663 6.478 1.912) 6.956 4.842 ( 4.508 -8.366 -9.471) 13.417 4.861 ( -4.038 3.118 3.863) 6.400 5.019 ( 0.426 -1.096 0.982) 1.532 5.209 ( -0.486 -2.193 5.064) 5.540 5.272 ( -1.803 1.303 0.538) 2.288 5.349 ( -7.797 0.113 4.271) 8.891 5.464 ( 1.198 -1.893 6.407) 6.787 5.612 ( 1.092 4.898 1.167) 5.152 5.795 ( 3.886 8.948 -5.158) 11.035 5.824 ( 5.610 -2.242 -6.082) 8.572 6.040 ( -1.741 2.296 -3.803) 4.771 6.141 ( -2.363 -2.457 1.911) 3.908 6.186 ( 3.516 -0.493 6.649) 7.537 6.504 ( -1.556 -0.017 0.020) 1.556 6.686 ( -2.769 -0.464 -1.356) 3.118 7.055 ( 1.370 3.463 -2.822) 4.672 7.483 ( -0.104 -0.466 1.348) 1.430 7.752 ( 0.189 2.773 -0.735) 2.875 7.794 ( 0.723 7.601 -0.423) 7.647 7.880 ( 3.400 3.821 0.763) 5.172 7.991 ( 0.514 1.564 0.119) 1.651 8.153 ( -1.330 -1.729 1.135) 2.459 8.290 ( -5.839 2.980 2.324) 6.955 8.332 ( -0.450 -6.406 1.713) 6.646 8.872 ( -1.054 -8.104 5.789) 10.015 9.192 ( 0.993 0.929 -2.270) 2.646 9.542 ( -4.673 -1.088 -5.706) 7.455 9.700 ( 0.332 2.698 6.014) 6.600 10.012 ( 2.615 7.015 -0.356) 7.495 10.412 ( -3.026 1.037 5.299) 6.189 10.580 ( 2.122 -11.227 -14.715) 18.630 10.823 ( 7.132 -2.630 -7.414) 10.618 10.911 ( -0.798 -1.302 -5.409) 5.620 10.928 ( 1.557 -1.154 3.105) 3.660 11.139 ( 4.226 -6.037 -0.759) 7.408 11.286 ( -2.979 2.546 1.908) 4.359 11.505 ( 4.097 2.664 4.157) 6.416 11.662 ( -4.609 1.816 3.849) 6.274 11.770 ( -10.260 -8.970 3.753) 14.135 11.950 ( -0.682 -1.029 -1.859) 2.231 12.231 ( 2.149 8.335 4.088) 9.529 12.454 ( 2.772 0.210 -0.725) 2.873 12.555 ( -3.432 4.003 0.306) 5.282 12.738 ( -1.771 9.698 -1.341) 9.950 13.050 ( 0.246 -0.031 -5.116) 5.122 13.466 ( 0.955 1.525 -5.823) 6.094 13.551 ( 9.405 -0.557 5.585) 10.952 13.669 ( 2.122 -3.710 -0.694) 4.330 14.002 ( -7.019 -1.665 1.150) 7.305 14.079 ( -1.287 -1.266 0.566) 1.892 14.595 ( 0.768 -8.148 3.630) 8.953 15.067 ( -7.948 -11.187 -0.355) 13.727 16.734 ( 5.944 16.038 3.025) 17.369 17.292 ( 3.651 6.628 -3.232) 8.228 17.658 ( -2.357 -3.062 3.079) 4.941 18.128 ( 2.357 -0.554 -3.098) 3.932 20.688 ( -2.501 1.715 2.191) 3.742 21.187 ( 3.076 2.591 -4.982) 6.403 21.368 ( -1.430 0.757 3.311) 3.685 21.568 ( -0.171 -0.354 0.177) 0.431 21.900 ( -0.290 -2.289 -6.182) 6.599 22.071 ( -4.528 6.796 -0.289) 8.171 22.706 ( 1.326 -4.910 2.915) 5.862 22.968 ( 1.738 -7.777 4.472) 9.138 23.287 ( -0.015 -5.282 -0.280) 5.290 23.460 ( 0.098 -8.510 0.853) 8.554 23.686 ( -0.710 1.327 -1.197) 1.923 23.758 ( -0.714 -0.000 -1.068) 1.285 23.837 ( -0.620 -0.571 1.339) 1.582 23.940 ( 0.320 -1.102 -0.824) 1.412 24.011 ( 1.058 1.101 2.265) 2.731 24.457 ( 1.950 16.681 -2.773) 17.022 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -7.962 10.713 10.298) 16.859 1.915 ( 1.631 11.223 7.120) 13.391 2.062 ( -3.546 0.763 2.058) 4.171 2.229 ( 0.421 -4.312 -4.724) 6.409 2.399 ( 0.135 -0.764 -6.225) 6.273 2.450 ( 5.247 2.895 0.356) 6.003 2.664 ( 0.332 0.379 -3.692) 3.726 2.696 ( -1.235 -4.839 -2.285) 5.492 2.836 ( 0.573 2.611 2.672) 3.780 2.869 ( 5.750 -3.716 -2.609) 7.327 2.954 ( 3.088 -2.676 -4.209) 5.866 3.095 ( -0.362 -5.283 5.951) 7.966 3.168 ( -2.010 -1.757 0.524) 2.721 3.218 ( -0.926 -2.645 4.156) 5.013 3.485 ( 4.703 1.887 0.205) 5.072 3.546 ( 1.297 -1.778 -1.210) 2.512 3.683 ( -7.934 -2.626 2.180) 8.637 3.914 ( -2.305 -1.219 -3.834) 4.637 3.942 ( -3.503 10.156 -1.260) 10.817 4.051 ( -1.770 1.176 -5.768) 6.147 4.203 ( 3.409 1.483 3.178) 4.891 4.326 ( -0.118 -0.172 -7.035) 7.038 4.403 ( -0.225 2.356 4.044) 4.685 4.637 ( 0.489 0.286 3.605) 3.649 4.825 ( 0.922 0.578 0.255) 1.118 5.002 ( 8.554 -4.586 -2.417) 10.002 5.057 ( -3.070 -1.878 2.065) 4.149 5.246 ( -5.068 -0.299 2.928) 5.860 5.277 ( 2.777 -0.411 1.936) 3.410 5.328 ( -4.816 -1.901 1.460) 5.380 5.485 ( 2.049 4.232 1.040) 4.816 5.588 ( -4.059 -3.848 4.917) 7.447 5.621 ( 1.045 7.148 -0.401) 7.235 5.891 ( 4.578 -2.174 -7.165) 8.776 5.955 ( -1.729 0.814 -5.597) 5.914 6.183 ( -0.073 -1.772 0.093) 1.776 6.292 ( 2.625 -2.258 6.876) 7.699 6.457 ( -1.075 3.002 1.584) 3.561 6.684 ( 0.419 -2.666 -5.404) 6.040 6.989 ( -2.784 1.077 -4.443) 5.353 7.527 ( 1.169 -2.955 0.479) 3.214 7.685 ( 0.591 3.982 -0.003) 4.025 7.737 ( -0.713 -1.437 -0.334) 1.638 7.812 ( -1.770 2.618 -0.594) 3.216 8.038 ( 4.164 -2.947 3.482) 6.177 8.203 ( -2.208 1.188 -0.262) 2.521 8.243 ( 1.247 -3.608 3.181) 4.969 8.426 ( -1.334 -3.386 0.230) 3.647 8.977 ( -2.608 -1.011 9.232) 9.646 9.230 ( 3.060 -3.770 0.626) 4.896 9.468 ( -3.101 2.218 -3.584) 5.233 9.679 ( 0.708 3.577 3.715) 5.205 9.864 ( -4.370 5.679 -3.395) 7.929 10.423 ( 2.946 0.976 6.937) 7.600 10.652 ( -0.244 -3.711 -13.662) 14.159 10.817 ( -0.523 6.739 -4.283) 8.002 10.935 ( 5.268 -6.264 -6.304) 10.331 10.980 ( 4.480 -0.461 -0.201) 4.508 11.156 ( -0.604 1.501 -2.460) 2.944 11.286 ( -0.616 1.942 7.999) 8.254 11.497 ( 2.357 2.047 -2.929) 4.280 11.692 ( -1.560 -5.745 3.320) 6.816 11.892 ( -4.685 -7.379 1.820) 8.928 11.945 ( 0.466 -0.423 -1.831) 1.936 12.153 ( -3.420 2.654 6.767) 8.034 12.458 ( -2.778 3.234 1.249) 4.442 12.507 ( -1.551 -2.531 1.021) 3.139 12.605 ( 4.422 2.500 0.316) 5.090 13.054 ( 0.913 -2.172 -4.542) 5.117 13.399 ( 2.327 2.259 -4.361) 5.434 13.625 ( -5.678 -1.467 2.047) 6.212 13.751 ( 4.100 -1.581 0.997) 4.506 13.982 ( -3.192 -0.819 0.493) 3.332 14.099 ( 4.254 0.380 0.115) 4.272 14.757 ( -0.687 -5.617 4.946) 7.516 15.194 ( -1.725 -7.905 -2.553) 8.484 16.499 ( -2.170 12.116 4.085) 12.969 17.189 ( 3.278 5.014 -4.626) 7.569 17.718 ( -0.367 -3.156 0.678) 3.249 18.125 ( 2.049 0.960 -3.454) 4.129 20.665 ( -2.296 -0.112 3.781) 4.425 21.145 ( 2.695 1.501 -4.064) 5.103 21.378 ( 0.270 -0.004 4.072) 4.081 21.565 ( -1.312 0.258 -0.971) 1.653 21.815 ( -0.934 5.454 -2.520) 6.080 22.047 ( -4.896 -6.985 -4.257) 9.533 22.793 ( 1.092 -1.459 2.893) 3.419 23.159 ( 6.546 -5.712 5.900) 10.502 23.365 ( 1.148 -2.447 0.474) 2.744 23.588 ( -0.194 -4.402 0.967) 4.511 23.635 ( 1.005 3.922 -0.610) 4.095 23.757 ( -2.134 -1.781 -2.197) 3.544 23.832 ( -0.532 1.612 0.886) 1.915 23.943 ( 0.515 0.917 -1.272) 1.650 24.006 ( 0.595 0.057 1.360) 1.486 24.173 ( -2.774 10.782 -2.786) 11.476 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.514 13.088 13.777) 19.325 1.711 ( 1.225 15.256 9.336) 17.928 1.990 ( 2.328 8.856 10.370) 13.834 2.091 ( -3.633 10.034 -7.220) 12.885 2.331 ( 2.781 9.070 0.218) 9.489 2.474 ( -4.022 -0.385 1.518) 4.316 2.642 ( 7.278 2.194 -1.803) 7.812 2.782 ( 6.772 0.286 -5.672) 8.838 2.815 ( -1.084 -3.045 3.231) 4.570 2.942 ( 2.931 -0.055 -4.929) 5.735 2.972 ( 0.099 3.225 2.785) 4.262 3.107 ( -0.663 10.117 5.458) 11.515 3.210 ( -3.292 -4.458 -0.704) 5.586 3.217 ( 1.621 2.040 -0.967) 2.780 3.396 ( 1.590 6.891 -0.403) 7.084 3.560 ( 1.023 0.591 0.932) 1.505 3.650 ( -8.691 -3.693 -6.237) 11.317 3.838 ( -4.641 4.920 -3.960) 7.838 3.854 ( -0.225 -0.955 5.307) 5.396 4.008 ( -3.524 1.484 -3.383) 5.105 4.132 ( 4.103 -0.595 -7.537) 8.602 4.252 ( -2.446 3.976 0.022) 4.668 4.495 ( 4.994 -1.994 5.649) 7.799 4.654 ( -0.700 -0.731 2.558) 2.751 4.862 ( 6.318 -0.684 0.635) 6.387 5.052 ( -4.895 -0.833 -3.693) 6.188 5.112 ( 3.800 -1.813 -0.540) 4.244 5.201 ( -5.604 -0.023 4.110) 6.950 5.287 ( -4.276 3.061 1.955) 5.611 5.345 ( 1.195 -1.180 1.210) 2.070 5.409 ( 0.516 -0.969 1.691) 2.016 5.605 ( 1.640 -1.672 0.140) 2.346 5.682 ( 0.925 -4.114 2.405) 4.855 5.889 ( -0.711 -1.405 -6.722) 6.904 5.934 ( 0.073 -0.802 -3.895) 3.978 6.225 ( 1.432 0.480 -3.447) 3.763 6.247 ( -0.895 4.669 -1.123) 4.885 6.529 ( 3.182 -5.311 9.519) 11.355 6.719 ( 1.431 -3.825 -9.101) 9.975 6.929 ( -4.256 -0.407 -2.901) 5.167 7.616 ( 0.700 -2.996 1.425) 3.391 7.642 ( 0.179 -0.360 -1.777) 1.821 7.763 ( -2.073 -2.968 -3.351) 4.933 7.821 ( -0.328 -4.541 3.031) 5.470 8.077 ( -0.101 1.050 -0.773) 1.308 8.222 ( 2.312 -1.517 0.361) 2.789 8.333 ( 1.772 -1.483 4.028) 4.644 8.446 ( -2.914 -1.520 -0.821) 3.387 9.011 ( -6.786 -1.245 10.625) 12.668 9.331 ( 1.689 -0.377 2.652) 3.167 9.425 ( 1.546 -2.580 0.481) 3.046 9.593 ( -1.085 4.644 -0.501) 4.795 9.753 ( -1.643 2.681 1.066) 3.320 10.478 ( 7.772 2.574 6.150) 10.240 10.595 ( -1.552 2.231 -12.577) 12.867 10.682 ( -0.681 2.898 -0.443) 3.009 10.988 ( 4.093 0.656 -4.999) 6.495 11.051 ( 0.004 -4.034 -2.545) 4.770 11.119 ( 2.064 1.793 -2.926) 4.004 11.225 ( 0.424 5.157 0.035) 5.174 11.497 ( 0.941 -0.013 0.497) 1.065 11.749 ( -5.153 -1.805 2.971) 6.215 11.931 ( 0.078 2.376 -0.570) 2.445 12.008 ( 1.439 -4.835 0.921) 5.128 12.148 ( -8.552 -4.354 5.195) 10.913 12.405 ( -1.191 0.678 0.967) 1.677 12.495 ( 1.699 1.123 2.171) 2.977 12.775 ( 4.451 -10.508 5.864) 12.830 13.086 ( -0.472 -3.232 -4.232) 5.346 13.384 ( 1.952 0.678 0.342) 2.094 13.560 ( -13.856 -1.835 -0.141) 13.978 13.779 ( -1.557 0.035 0.209) 1.571 13.975 ( 1.576 0.913 -2.387) 3.003 14.139 ( 9.382 2.075 -0.355) 9.615 14.816 ( -6.472 -0.819 4.868) 8.140 15.308 ( 4.770 -4.131 -4.321) 7.648 16.320 ( -3.999 5.452 4.361) 8.046 17.124 ( 4.766 2.667 -4.324) 6.966 17.752 ( 0.627 -0.694 -4.468) 4.565 18.093 ( 2.355 2.216 -3.845) 5.024 20.700 ( -2.528 -2.917 6.151) 7.262 21.139 ( 3.688 0.077 -3.227) 4.901 21.413 ( 0.753 -0.952 4.617) 4.774 21.511 ( -2.244 2.554 -2.934) 4.491 21.749 ( 1.602 1.953 4.998) 5.600 22.108 ( -8.266 -7.472 -6.501) 12.900 22.813 ( -0.151 0.908 2.133) 2.323 23.259 ( 0.573 2.709 -1.500) 3.149 23.410 ( 0.790 0.744 2.143) 2.402 23.530 ( -3.254 5.112 0.594) 6.089 23.708 ( 8.869 -2.500 5.870) 10.925 23.753 ( -0.142 -2.868 -2.752) 3.978 23.797 ( 0.573 2.431 -0.443) 2.537 23.914 ( 2.051 1.788 -2.469) 3.674 23.990 ( -2.185 2.704 -2.610) 4.347 24.047 ( -0.641 -2.734 0.924) 2.957 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.858 -0.000 -18.090) 18.314 1.438 ( -2.216 0.000 -3.226) 3.914 1.695 ( 0.554 -0.000 -2.916) 2.968 1.718 ( -7.715 0.000 14.612) 16.524 1.902 ( 16.395 -0.000 12.216) 20.446 2.123 ( 5.469 -0.000 -7.963) 9.660 2.463 ( -4.046 0.000 -6.927) 8.022 2.491 ( -6.306 0.000 -2.926) 6.952 2.608 ( -1.392 0.000 12.971) 13.045 2.614 ( -6.932 0.000 0.889) 6.989 2.814 ( -3.202 0.000 -3.577) 4.800 3.065 ( 3.114 -0.000 -8.717) 9.257 3.066 ( 9.301 -0.000 0.210) 9.303 3.315 ( -3.048 0.000 -2.183) 3.749 3.415 ( -6.432 0.000 -3.270) 7.215 3.427 ( 5.047 -0.000 18.075) 18.766 3.705 ( -5.214 0.000 2.654) 5.850 3.716 ( -0.787 0.000 -1.406) 1.612 3.878 ( 13.910 -0.000 1.513) 13.992 3.924 ( -5.805 0.000 -4.543) 7.371 4.109 ( 4.607 -0.000 -13.448) 14.215 4.249 ( -3.146 0.000 0.592) 3.201 4.439 ( 2.668 -0.000 10.284) 10.624 4.571 ( -5.282 0.000 5.563) 7.671 4.992 ( -5.455 0.000 -4.631) 7.155 4.993 ( 3.944 -0.000 -8.178) 9.079 5.081 ( -3.044 0.000 -3.960) 4.994 5.208 ( 4.156 -0.000 0.497) 4.186 5.311 ( 5.273 -0.000 3.817) 6.510 5.411 ( -2.515 0.000 8.403) 8.772 5.516 ( -3.139 0.000 6.074) 6.837 5.775 ( -3.867 0.000 -2.050) 4.377 5.800 ( 1.641 -0.000 -0.613) 1.751 6.055 ( -6.001 0.000 -3.069) 6.741 6.096 ( 4.163 -0.000 1.298) 4.360 6.152 ( 2.276 -0.000 -2.390) 3.301 6.334 ( 7.100 -0.000 0.480) 7.116 6.382 ( -5.957 0.000 3.206) 6.765 6.630 ( -0.239 0.000 -2.101) 2.114 7.316 ( 4.930 -0.000 -9.437) 10.647 7.667 ( 2.708 -0.000 4.899) 5.598 7.794 ( 4.625 -0.000 -1.413) 4.836 7.825 ( 2.051 -0.000 -0.121) 2.054 8.054 ( -5.762 0.000 1.223) 5.890 8.066 ( 3.124 -0.000 -1.397) 3.423 8.122 ( 5.757 -0.000 -5.346) 7.857 8.224 ( -2.519 0.000 0.716) 2.618 8.437 ( -4.659 0.000 4.098) 6.205 8.524 ( -15.739 0.000 5.296) 16.607 9.090 ( -3.632 0.000 0.322) 3.646 9.487 ( -3.335 0.000 -6.423) 7.237 9.825 ( -1.023 0.000 9.789) 9.842 9.958 ( -0.038 0.000 -8.928) 8.928 10.193 ( 7.209 -0.000 2.712) 7.702 10.523 ( -1.633 0.000 -0.560) 1.727 10.620 ( -8.568 0.000 2.587) 8.950 10.801 ( 5.373 -0.000 -4.709) 7.145 10.836 ( 2.491 -0.000 -3.217) 4.069 10.890 ( -2.331 0.000 -2.240) 3.233 11.389 ( -2.538 0.000 8.577) 8.944 11.406 ( 5.344 -0.000 4.558) 7.024 11.773 ( -10.741 0.000 -2.064) 10.937 11.849 ( 0.754 -0.000 1.402) 1.591 11.923 ( 4.377 -0.000 2.086) 4.849 12.560 ( 0.752 -0.000 -1.233) 1.444 12.764 ( 6.944 -0.000 2.468) 7.369 12.824 ( -4.788 0.000 2.768) 5.530 12.846 ( 4.517 -0.000 -3.614) 5.785 13.213 ( 5.206 -0.000 -3.399) 6.217 13.327 ( -7.655 0.000 2.267) 7.984 13.612 ( -7.804 0.000 -6.597) 10.219 13.763 ( 4.583 -0.000 -9.929) 10.936 13.876 ( 10.439 -0.000 0.267) 10.442 14.063 ( -5.202 0.000 5.187) 7.347 14.349 ( -13.620 0.000 0.554) 13.631 14.376 ( -8.203 0.000 4.390) 9.304 17.363 ( 16.848 -0.000 -5.551) 17.739 17.526 ( 2.405 -0.000 6.472) 6.904 17.555 ( 2.311 -0.000 3.804) 4.451 18.061 ( 3.522 -0.000 -2.893) 4.558 20.770 ( -1.917 0.000 0.006) 1.917 21.226 ( 4.337 -0.000 -2.011) 4.780 21.536 ( -3.246 0.000 1.689) 3.659 21.604 ( -4.069 0.000 -0.282) 4.078 21.858 ( -2.668 0.000 -5.590) 6.194 22.343 ( 1.003 -0.000 5.264) 5.359 22.504 ( -1.496 0.000 9.450) 9.567 22.703 ( -5.374 0.000 -5.273) 7.529 22.871 ( -1.163 0.000 1.851) 2.186 23.107 ( 1.951 -0.000 0.398) 1.991 23.724 ( -1.084 0.000 -2.796) 2.999 23.790 ( -1.179 0.000 -2.606) 2.860 23.825 ( 0.616 -0.000 3.088) 3.149 23.882 ( 1.477 -0.000 -1.640) 2.207 23.976 ( 2.055 -0.000 5.474) 5.847 25.122 ( 7.286 -0.000 -6.707) 9.903 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 2.320 -16.850 -12.283) 20.981 1.643 ( 0.256 -19.781 -1.236) 19.821 1.704 ( -3.776 -6.233 3.186) 7.953 1.849 ( -2.393 -10.663 -4.632) 11.869 2.085 ( 11.919 1.269 6.122) 13.459 2.195 ( -0.945 -5.520 -0.528) 5.626 2.403 ( -9.534 -4.586 -3.819) 11.248 2.476 ( -2.882 -2.997 0.384) 4.176 2.522 ( -1.912 -1.455 -4.722) 5.298 2.737 ( 1.550 -4.861 10.547) 11.717 2.814 ( -1.155 -2.709 -0.065) 2.946 2.991 ( 0.285 3.241 -8.442) 9.048 3.100 ( 4.356 3.754 -3.977) 6.992 3.248 ( 0.020 1.480 2.693) 3.073 3.476 ( -3.857 -7.161 3.542) 8.871 3.541 ( -0.744 4.000 7.690) 8.700 3.583 ( 1.092 5.013 0.935) 5.215 3.668 ( -3.837 -1.355 -0.839) 4.154 3.877 ( 4.661 0.376 1.635) 4.953 4.072 ( 1.061 -5.904 -7.405) 9.530 4.175 ( 9.487 -8.303 -7.687) 14.766 4.239 ( -3.519 -2.321 -2.111) 4.715 4.459 ( -1.209 2.383 8.677) 9.079 4.573 ( -6.199 -3.647 -0.892) 7.247 4.921 ( -1.253 2.444 -3.646) 4.565 5.007 ( -1.135 -0.100 -4.036) 4.194 5.044 ( 1.447 0.286 0.932) 1.744 5.220 ( 1.538 3.705 2.684) 4.827 5.271 ( 3.677 5.427 3.369) 7.370 5.465 ( -5.738 1.304 5.751) 8.228 5.496 ( 0.119 2.349 9.748) 10.028 5.716 ( 6.093 -0.324 -3.149) 6.866 5.858 ( -0.844 -3.394 -2.358) 4.218 5.920 ( -0.379 7.465 -3.981) 8.468 6.136 ( 2.977 1.200 0.435) 3.239 6.141 ( 0.628 0.781 1.247) 1.600 6.295 ( -5.203 4.231 1.903) 6.971 6.415 ( 1.786 -2.204 1.821) 3.371 6.635 ( -0.932 -1.705 -2.176) 2.917 7.256 ( 3.587 4.904 -7.676) 9.790 7.647 ( -1.025 6.065 4.511) 7.627 7.825 ( 2.612 -1.545 0.647) 3.103 7.883 ( 3.599 -0.701 -2.302) 4.330 8.032 ( -4.506 -2.741 1.075) 5.382 8.061 ( 5.135 2.125 -0.602) 5.590 8.143 ( 3.798 2.482 -2.535) 5.197 8.216 ( -3.091 -0.046 1.133) 3.292 8.414 ( -7.699 2.154 5.010) 9.435 8.471 ( -3.688 -6.456 5.274) 9.116 9.119 ( -3.398 -5.418 -3.012) 7.070 9.433 ( -2.421 -2.304 -10.098) 10.637 9.828 ( -1.249 3.849 10.575) 11.323 10.039 ( 0.443 -12.825 -13.748) 18.806 10.234 ( 4.957 2.348 0.922) 5.562 10.471 ( -2.818 2.467 1.934) 4.215 10.637 ( -4.777 -6.111 0.328) 7.764 10.806 ( 1.978 0.151 -1.292) 2.367 10.874 ( -0.827 -1.388 -1.937) 2.522 10.902 ( 6.451 -3.944 -3.514) 8.338 11.380 ( -2.923 2.074 0.752) 3.662 11.470 ( -2.746 -3.513 4.417) 6.277 11.693 ( -2.422 2.430 4.897) 5.979 11.865 ( -1.553 1.709 4.177) 4.773 11.915 ( 2.133 2.999 0.012) 3.680 12.525 ( 0.060 2.226 -4.024) 4.599 12.638 ( 5.423 11.519 -1.163) 12.785 12.764 ( -0.571 5.035 3.185) 5.985 12.952 ( -1.366 -2.945 -2.906) 4.357 13.206 ( -4.153 5.104 -3.945) 7.672 13.356 ( 3.180 -8.916 2.490) 9.788 13.448 ( -1.669 6.841 -1.628) 7.227 13.731 ( 5.173 2.921 -7.989) 9.956 13.955 ( 5.228 0.274 0.949) 5.321 14.051 ( -3.701 -0.101 4.662) 5.953 14.273 ( -5.130 -6.363 2.265) 8.482 14.546 ( -7.849 -15.494 0.711) 17.383 17.344 ( 11.990 12.660 1.504) 17.501 17.537 ( 0.442 4.408 3.076) 5.394 17.586 ( -0.769 -1.049 4.404) 4.592 18.084 ( 2.703 -1.068 -2.764) 4.010 20.748 ( -1.646 0.935 0.435) 1.942 21.244 ( 3.777 0.436 -2.963) 4.820 21.471 ( -3.398 3.789 0.617) 5.127 21.574 ( -1.519 0.133 -0.224) 1.541 21.800 ( -2.708 -0.810 -7.517) 8.030 22.328 ( -11.267 -2.101 -14.215) 18.260 22.590 ( 6.814 6.546 12.699) 15.829 22.638 ( 0.727 -7.316 10.683) 12.968 23.006 ( -0.348 -9.160 1.120) 9.235 23.167 ( 0.784 -4.740 0.979) 4.903 23.702 ( -0.297 -0.188 -3.751) 3.768 23.757 ( -1.875 -0.324 -4.134) 4.551 23.848 ( 1.056 0.843 3.950) 4.175 23.899 ( 1.140 -0.648 0.541) 1.418 24.023 ( 0.985 -0.010 6.382) 6.457 25.039 ( 5.132 10.469 -6.050) 13.135 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.198 -17.237 -2.108) 17.504 1.788 ( -5.908 -5.661 2.181) 8.468 1.960 ( 2.547 -10.583 -1.382) 10.973 1.978 ( -0.244 -1.835 -2.244) 2.909 2.155 ( -4.390 -14.277 -7.629) 16.772 2.307 ( 0.204 -8.185 0.079) 8.188 2.427 ( -5.457 -4.443 -7.479) 10.269 2.527 ( 1.700 -4.804 -0.999) 5.193 2.689 ( 0.802 -13.302 4.103) 13.944 2.815 ( 1.977 -1.202 -3.883) 4.520 2.933 ( 3.380 0.564 -3.029) 4.574 2.976 ( 2.495 -6.656 12.326) 14.228 2.991 ( 1.468 4.555 -2.366) 5.338 3.250 ( 1.756 3.399 -0.112) 3.827 3.411 ( 1.661 4.875 5.680) 7.668 3.568 ( -3.869 -1.845 3.941) 5.822 3.594 ( -3.809 -4.127 -0.610) 5.650 3.735 ( 0.593 -5.822 -1.711) 6.098 3.964 ( 4.053 -4.658 4.395) 7.579 4.084 ( -1.513 -0.992 -7.573) 7.786 4.219 ( -5.256 0.285 -3.865) 6.530 4.310 ( 1.338 -2.185 -7.868) 8.275 4.472 ( -3.258 -1.491 5.081) 6.217 4.636 ( 0.204 -7.568 -5.567) 9.397 4.825 ( 3.085 5.436 -0.892) 6.314 4.960 ( 1.417 4.338 3.209) 5.579 5.023 ( 0.824 1.541 -2.054) 2.697 5.190 ( 0.245 -0.126 4.921) 4.928 5.274 ( 0.008 0.665 4.368) 4.418 5.358 ( -5.836 4.037 2.280) 7.453 5.538 ( 1.967 1.767 11.653) 11.950 5.746 ( -0.481 5.479 -3.865) 6.723 5.805 ( 7.398 0.087 -2.062) 7.681 5.890 ( 2.417 0.858 -5.141) 5.746 6.083 ( -0.646 3.900 0.568) 3.994 6.110 ( -5.291 1.601 2.137) 5.927 6.276 ( 6.170 -0.234 6.208) 8.756 6.450 ( -2.741 -1.784 0.008) 3.270 6.646 ( -0.738 -1.268 -2.285) 2.715 7.120 ( -1.251 6.239 -6.858) 9.355 7.534 ( -1.329 4.721 3.279) 5.899 7.828 ( 0.877 5.103 -1.772) 5.473 7.886 ( 0.566 0.119 1.245) 1.373 7.986 ( -1.063 6.580 -0.334) 6.674 8.089 ( 6.351 1.963 1.102) 6.738 8.128 ( -0.141 0.144 -0.863) 0.887 8.206 ( -1.196 -4.995 3.876) 6.434 8.326 ( -5.243 3.448 3.038) 6.972 8.712 ( 2.342 -12.137 7.728) 14.577 9.161 ( -1.583 -3.333 -4.587) 5.887 9.425 ( -1.779 -3.928 -9.516) 10.447 9.793 ( -0.881 3.852 8.368) 9.254 10.097 ( -7.515 2.478 -6.004) 9.933 10.308 ( 8.237 -10.508 -13.192) 18.770 10.456 ( 1.538 0.458 5.150) 5.394 10.728 ( -1.641 -6.459 -2.982) 7.301 10.848 ( 3.813 -3.705 -3.361) 6.289 10.895 ( 0.197 -2.337 -1.163) 2.618 11.056 ( 5.760 -6.989 1.074) 9.120 11.289 ( -5.661 1.296 -3.174) 6.618 11.554 ( -6.638 -6.256 6.905) 11.441 11.656 ( 2.526 5.762 5.168) 8.142 11.748 ( -3.895 7.863 4.205) 9.730 11.927 ( 1.324 -0.961 0.135) 1.642 12.442 ( -0.780 5.423 -2.478) 6.013 12.471 ( 1.985 7.024 -1.657) 7.485 12.654 ( -0.699 6.994 1.719) 7.237 12.890 ( -0.475 6.314 -3.097) 7.048 13.049 ( -0.372 3.868 -5.195) 6.487 13.389 ( -4.312 -1.800 -2.027) 5.094 13.570 ( 2.856 -8.103 1.847) 8.788 13.671 ( 4.189 3.939 -2.703) 6.354 13.973 ( 0.316 0.161 2.259) 2.287 14.066 ( 0.627 -1.153 2.793) 3.086 14.443 ( -0.482 -9.981 4.263) 10.864 14.784 ( -1.669 -14.217 -1.210) 14.366 17.113 ( 0.699 18.422 3.860) 18.835 17.445 ( 2.053 7.596 0.219) 7.872 17.626 ( 0.009 -1.613 5.106) 5.355 18.112 ( 1.914 -1.255 -2.891) 3.687 20.710 ( -1.981 1.717 0.983) 2.800 21.238 ( 4.363 2.133 -5.055) 7.010 21.387 ( -3.040 1.722 2.163) 4.109 21.564 ( -0.857 0.026 -0.204) 0.882 21.780 ( -2.294 -3.521 -7.402) 8.512 22.125 ( -8.228 4.921 -10.803) 14.444 22.679 ( 4.078 -2.240 8.840) 9.989 22.876 ( 4.260 -8.883 10.032) 14.060 23.170 ( 0.851 -7.681 0.546) 7.748 23.301 ( -0.264 -7.988 2.122) 8.269 23.687 ( 0.474 -0.127 -3.391) 3.427 23.734 ( -1.430 -0.883 -3.565) 3.941 23.851 ( 0.320 1.269 3.118) 3.382 23.925 ( 0.670 -0.724 0.787) 1.262 24.052 ( -0.056 0.837 5.283) 5.350 24.771 ( 1.172 17.130 -5.769) 18.114 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -8.409 3.858 5.651) 10.841 1.886 ( -7.782 -9.908 -1.869) 12.737 2.072 ( 0.471 -3.032 1.631) 3.475 2.148 ( 3.258 -3.577 1.796) 5.161 2.254 ( -4.283 -9.845 -7.627) 13.169 2.467 ( 0.238 -4.686 0.572) 4.727 2.485 ( -1.112 -11.574 -5.408) 12.823 2.658 ( 6.101 -4.344 0.324) 7.497 2.822 ( 2.928 0.458 -11.608) 11.980 2.844 ( 4.540 0.087 -1.004) 4.651 2.990 ( 3.178 -10.364 4.532) 11.750 3.071 ( 0.655 -3.635 2.168) 4.283 3.091 ( 2.986 5.124 3.623) 6.949 3.178 ( -1.643 -0.913 7.103) 7.348 3.475 ( 3.606 -4.112 0.333) 5.479 3.575 ( -1.096 1.080 1.659) 2.262 3.617 ( -3.555 -1.924 1.606) 4.349 3.825 ( 0.267 -4.821 -2.641) 5.503 4.004 ( -0.727 3.634 -11.373) 11.962 4.064 ( -5.332 3.063 -0.849) 6.208 4.180 ( -1.921 -8.588 4.051) 9.688 4.271 ( -2.930 1.612 -5.741) 6.644 4.467 ( -1.286 1.704 3.081) 3.748 4.626 ( -2.440 0.844 -2.617) 3.677 4.918 ( 7.189 -4.291 -0.461) 8.385 4.939 ( 4.390 2.827 4.871) 7.140 5.018 ( 3.612 -2.719 -3.722) 5.856 5.215 ( -6.591 1.016 5.611) 8.715 5.276 ( -5.810 -0.704 3.614) 6.879 5.309 ( 4.141 -1.005 2.073) 4.739 5.552 ( -3.494 1.788 7.136) 8.144 5.622 ( 1.481 5.953 1.032) 6.221 5.735 ( -1.855 6.165 -6.789) 9.357 5.877 ( 3.113 1.247 -4.271) 5.430 5.979 ( -0.425 3.926 0.923) 4.056 6.157 ( 1.643 -3.588 1.750) 4.317 6.354 ( 3.567 2.702 7.901) 9.080 6.464 ( 0.451 -2.353 -0.071) 2.397 6.640 ( 0.590 -0.092 -3.783) 3.830 6.960 ( -4.995 3.073 -7.226) 9.307 7.515 ( 1.554 -0.304 2.354) 2.837 7.741 ( 0.448 3.162 -2.021) 3.779 7.783 ( -2.410 6.747 0.229) 7.168 7.862 ( -3.525 4.763 1.209) 6.047 8.110 ( 7.737 2.067 2.975) 8.543 8.200 ( 0.294 -3.319 4.041) 5.237 8.222 ( -0.661 1.979 -0.814) 2.239 8.339 ( -0.224 -4.920 1.390) 5.118 8.924 ( -3.883 -5.297 6.805) 9.458 9.202 ( 3.032 -3.302 -0.339) 4.496 9.446 ( 0.930 -2.582 -3.769) 4.662 9.764 ( -0.188 2.972 5.004) 5.823 9.885 ( -11.020 6.390 -5.419) 13.844 10.461 ( 4.954 -4.640 -5.489) 8.730 10.519 ( 5.207 -2.690 -4.276) 7.254 10.799 ( -2.215 -4.099 -3.779) 5.999 10.925 ( 11.153 -0.457 -9.771) 14.835 10.963 ( -0.360 -3.840 1.233) 4.049 11.155 ( -2.342 -0.065 -0.251) 2.356 11.313 ( 0.976 -4.299 6.851) 8.146 11.555 ( -6.484 4.433 -0.661) 7.882 11.615 ( 3.387 -1.546 -0.879) 3.825 11.700 ( -5.350 -5.615 8.648) 11.617 11.942 ( 0.801 0.671 -0.200) 1.064 12.302 ( -0.146 7.998 4.417) 9.138 12.408 ( -3.336 -1.052 -4.712) 5.869 12.542 ( -0.519 4.466 2.592) 5.190 12.756 ( 5.667 7.402 -0.337) 9.328 13.002 ( -0.052 -0.876 -6.110) 6.173 13.354 ( -5.445 -1.684 -6.549) 8.682 13.594 ( -6.205 2.876 3.080) 7.500 13.717 ( 0.518 -3.779 0.645) 3.869 14.002 ( 4.634 0.171 1.759) 4.960 14.139 ( 6.319 -1.802 1.740) 6.797 14.626 ( -4.047 -8.216 5.102) 10.484 15.032 ( 6.596 -10.800 -1.855) 12.790 16.759 ( -7.418 17.291 3.945) 19.224 17.308 ( 1.187 7.252 -2.274) 7.692 17.695 ( 2.705 -1.508 3.739) 4.855 18.127 ( 1.547 -0.465 -3.211) 3.595 20.672 ( -2.208 1.023 2.346) 3.381 21.185 ( 2.846 2.843 -5.271) 6.631 21.394 ( 0.255 -0.999 3.934) 4.067 21.548 ( -2.203 -0.079 -1.382) 2.602 21.797 ( -1.688 -2.742 -6.103) 6.900 21.951 ( -4.039 2.221 -4.658) 6.553 22.787 ( 1.218 -2.250 5.551) 6.113 23.121 ( 6.218 -7.496 5.946) 11.411 23.316 ( 2.368 -5.337 2.328) 6.285 23.457 ( -1.492 -7.763 1.370) 8.023 23.677 ( 1.499 0.370 -2.591) 3.016 23.725 ( -0.253 -0.818 -2.780) 2.909 23.844 ( -0.829 0.894 2.397) 2.690 23.942 ( 0.358 -0.367 0.082) 0.519 24.046 ( -0.193 1.862 3.144) 3.659 24.396 ( -3.621 17.348 -5.375) 18.519 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -4.114 5.709 10.678) 12.788 1.930 ( -3.251 8.124 -2.261) 9.038 2.004 ( -3.133 -7.455 -0.264) 8.091 2.264 ( 2.616 5.350 6.710) 8.972 2.363 ( -3.366 -7.499 1.604) 8.375 2.474 ( -1.527 3.053 1.047) 3.570 2.677 ( 3.487 -7.316 -7.172) 10.823 2.707 ( 7.574 -0.080 -1.460) 7.714 2.835 ( -1.453 -0.759 -0.577) 1.738 2.961 ( 3.754 -7.073 -1.379) 8.125 2.976 ( 5.170 4.084 -3.977) 7.696 3.134 ( -0.499 -0.158 -1.048) 1.171 3.182 ( 1.318 -2.764 2.559) 3.991 3.218 ( -2.284 -1.174 4.806) 5.449 3.462 ( -6.073 1.996 -1.453) 6.556 3.563 ( -4.743 3.311 -0.605) 5.816 3.647 ( 11.562 -0.620 -0.058) 11.579 3.848 ( -0.059 1.475 -4.546) 4.780 3.923 ( 1.557 0.981 3.010) 3.529 3.981 ( -3.433 1.395 -0.626) 3.758 4.133 ( -3.119 3.460 -6.531) 8.022 4.262 ( -6.075 -1.157 0.201) 6.187 4.501 ( 4.620 -1.978 2.812) 5.759 4.631 ( -3.669 -2.361 2.404) 4.981 4.921 ( 6.563 3.311 -0.295) 7.356 4.987 ( -1.411 -1.265 -0.788) 2.053 5.133 ( 3.896 -1.456 1.731) 4.506 5.173 ( -2.907 -0.764 1.179) 3.229 5.239 ( -7.439 -0.140 2.565) 7.870 5.376 ( 3.921 -1.710 2.096) 4.764 5.509 ( -1.041 9.315 -2.352) 9.664 5.559 ( -4.107 -4.761 2.948) 6.945 5.637 ( 2.118 -0.194 0.976) 2.340 5.833 ( -1.406 0.292 -4.966) 5.169 5.934 ( 0.016 2.388 1.174) 2.661 6.214 ( 2.979 0.142 -0.003) 2.983 6.325 ( -0.739 2.396 -1.719) 3.040 6.558 ( 6.734 -1.480 7.660) 10.306 6.623 ( -0.556 -1.163 -7.499) 7.609 6.864 ( -3.912 -0.352 -4.262) 5.796 7.571 ( 2.904 -2.608 1.176) 4.077 7.659 ( -3.250 3.077 -2.385) 5.072 7.710 ( -1.228 -0.281 -0.249) 1.284 7.792 ( -0.891 0.859 3.062) 3.302 8.106 ( -0.732 3.167 -2.197) 3.923 8.209 ( 3.657 -2.371 3.137) 5.370 8.333 ( 2.498 -3.173 3.603) 5.412 8.390 ( -1.713 -1.493 -0.970) 2.471 8.949 ( -8.179 -1.690 4.345) 9.415 9.332 ( 5.468 -5.076 3.909) 8.423 9.468 ( 0.471 3.498 3.269) 4.811 9.639 ( -5.961 3.466 -2.540) 7.349 9.766 ( -1.581 0.750 0.233) 1.766 10.533 ( 4.923 -2.064 -12.125) 13.248 10.586 ( 5.263 -1.320 5.163) 7.490 10.748 ( -2.755 4.712 -2.428) 5.974 10.957 ( 4.919 -0.795 -4.909) 6.995 11.014 ( 3.069 -1.253 -7.576) 8.269 11.150 ( 1.201 -0.221 1.000) 1.578 11.355 ( -1.211 6.779 5.306) 8.694 11.437 ( -5.004 -3.441 -1.360) 6.224 11.729 ( -0.069 -1.330 3.655) 3.890 11.845 ( 0.214 -10.244 -0.430) 10.255 11.927 ( -0.644 -0.386 -0.198) 0.776 12.190 ( -1.864 6.431 6.397) 9.260 12.371 ( -4.714 -0.682 -0.905) 4.848 12.532 ( -0.008 -0.612 3.500) 3.553 12.755 ( 11.323 -0.302 2.113) 11.523 12.993 ( -2.717 -2.724 -6.312) 7.392 13.323 ( -6.569 -4.078 -5.457) 9.464 13.479 ( -7.657 4.221 4.520) 9.842 13.749 ( -2.776 -0.999 -0.546) 3.001 14.044 ( 6.975 1.665 -0.387) 7.181 14.223 ( 5.606 -0.026 0.698) 5.649 14.720 ( -7.557 -4.335 3.824) 9.514 15.265 ( 10.330 -6.348 -1.369) 12.201 16.435 ( -8.652 10.431 3.485) 13.993 17.198 ( 2.754 3.960 -3.700) 6.079 17.745 ( 2.236 0.050 0.182) 2.244 18.121 ( 1.884 0.750 -3.481) 4.029 20.671 ( -2.425 -1.137 4.571) 5.298 21.151 ( 2.818 0.456 -3.975) 4.894 21.433 ( 0.565 -0.124 2.881) 2.938 21.514 ( -1.609 0.875 -2.030) 2.735 21.784 ( -0.201 -0.690 0.691) 0.997 21.935 ( -2.182 -3.225 -2.854) 4.828 22.834 ( -0.946 0.025 3.580) 3.704 23.272 ( 2.364 -1.601 -2.822) 4.014 23.419 ( 0.575 -1.807 3.859) 4.300 23.548 ( -2.723 -1.953 -0.109) 3.353 23.682 ( 1.485 -1.527 -2.437) 3.236 23.760 ( 5.492 -1.824 3.231) 6.628 23.823 ( -0.621 0.429 -1.042) 1.287 23.943 ( 0.780 0.717 -0.382) 1.126 24.032 ( 0.759 0.637 1.408) 1.722 24.063 ( -5.313 10.068 -2.733) 11.707 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 9.104 -0.000 -15.048) 17.588 1.348 ( -1.361 0.000 -7.968) 8.083 1.654 ( 3.332 -0.000 -4.379) 5.503 1.698 ( -10.092 0.000 12.247) 15.869 2.096 ( -17.749 0.000 -1.765) 17.836 2.157 ( 0.479 -0.000 -4.340) 4.366 2.358 ( 12.438 -0.000 1.375) 12.513 2.378 ( -2.418 0.000 -1.440) 2.814 2.531 ( -0.336 0.000 -3.218) 3.236 2.733 ( 2.356 -0.000 6.786) 7.184 2.817 ( 3.994 -0.000 7.262) 8.288 2.938 ( -2.804 0.000 -15.558) 15.809 3.157 ( -3.836 0.000 -0.391) 3.856 3.291 ( -2.807 0.000 3.978) 4.869 3.357 ( 6.050 -0.000 -0.294) 6.057 3.590 ( -4.661 0.000 -4.160) 6.247 3.630 ( -1.226 0.000 10.576) 10.647 3.730 ( 2.084 -0.000 3.831) 4.361 3.918 ( 1.682 -0.000 0.897) 1.906 3.953 ( -4.280 0.000 -8.109) 9.169 4.097 ( 9.330 -0.000 -4.940) 10.557 4.165 ( -3.466 0.000 -3.608) 5.003 4.461 ( -6.191 0.000 0.504) 6.211 4.519 ( -1.476 0.000 4.124) 4.380 4.933 ( 2.346 -0.000 -3.155) 3.932 5.001 ( 2.580 -0.000 -4.183) 4.915 5.092 ( 3.897 -0.000 3.190) 5.036 5.266 ( 1.047 -0.000 2.041) 2.294 5.420 ( 0.497 -0.000 3.912) 3.944 5.434 ( -5.853 0.000 6.332) 8.622 5.570 ( 0.519 -0.000 10.158) 10.171 5.719 ( 1.541 -0.000 -2.678) 3.090 5.808 ( 0.926 -0.000 -1.391) 1.671 5.998 ( 1.895 -0.000 0.144) 1.901 6.133 ( 0.106 -0.000 -1.812) 1.815 6.172 ( 2.307 -0.000 -0.551) 2.372 6.288 ( -7.205 0.000 0.669) 7.236 6.451 ( 2.933 -0.000 4.598) 5.454 6.601 ( 0.583 -0.000 -3.473) 3.522 7.289 ( 4.085 -0.000 -9.529) 10.367 7.720 ( -3.644 0.000 3.419) 4.996 7.861 ( 2.312 -0.000 -0.382) 2.343 7.873 ( 3.929 -0.000 2.320) 4.563 7.966 ( -2.816 0.000 -0.548) 2.869 8.081 ( -2.664 0.000 -2.795) 3.861 8.179 ( 6.331 -0.000 -4.164) 7.578 8.216 ( 0.954 -0.000 2.789) 2.948 8.404 ( -4.248 0.000 5.295) 6.788 8.447 ( -0.942 0.000 9.005) 9.054 9.004 ( -3.343 0.000 -5.214) 6.194 9.332 ( -2.147 0.000 -11.991) 12.182 9.825 ( 0.677 -0.000 -16.074) 16.089 9.917 ( -2.030 0.000 11.605) 11.781 10.273 ( -1.390 0.000 0.095) 1.393 10.509 ( 0.579 -0.000 -0.766) 0.960 10.535 ( -2.290 0.000 2.913) 3.705 10.801 ( -3.847 0.000 0.506) 3.880 10.878 ( 6.394 -0.000 -0.423) 6.407 10.887 ( 5.379 -0.000 -5.524) 7.711 11.308 ( -9.386 0.000 -12.031) 15.259 11.454 ( -2.539 0.000 11.944) 12.211 11.775 ( 4.839 -0.000 8.291) 9.600 11.882 ( 0.257 -0.000 2.771) 2.783 11.989 ( -0.508 0.000 4.137) 4.168 12.510 ( -1.894 0.000 -6.729) 6.991 12.807 ( -3.232 0.000 -0.567) 3.281 12.823 ( 0.057 -0.000 -8.649) 8.649 12.856 ( 0.744 -0.000 7.693) 7.729 13.229 ( -1.002 0.000 -4.088) 4.209 13.257 ( 0.096 -0.000 1.331) 1.335 13.564 ( 6.673 -0.000 -0.184) 6.676 13.747 ( 4.927 -0.000 -8.942) 10.210 14.048 ( -2.500 0.000 4.309) 4.982 14.060 ( 5.556 -0.000 0.863) 5.623 14.172 ( -4.051 0.000 2.821) 4.936 14.297 ( -4.438 0.000 0.890) 4.526 17.559 ( -6.533 0.000 3.214) 7.281 17.600 ( -1.049 0.000 5.349) 5.451 17.604 ( 12.156 -0.000 5.828) 13.481 18.080 ( 1.999 -0.000 -2.470) 3.177 20.748 ( -0.679 0.000 -0.124) 0.690 21.259 ( 2.255 -0.000 -2.465) 3.341 21.489 ( -2.584 0.000 -1.433) 2.955 21.539 ( -2.410 0.000 -2.202) 3.265 21.732 ( -2.699 0.000 -7.759) 8.215 22.133 ( -8.726 0.000 -14.895) 17.263 22.647 ( 1.583 -0.000 15.118) 15.201 22.817 ( 6.398 -0.000 8.113) 10.333 22.873 ( -1.289 0.000 2.456) 2.774 23.137 ( 0.868 -0.000 2.380) 2.533 23.674 ( 0.524 -0.000 -5.429) 5.454 23.706 ( -2.570 0.000 -5.381) 5.964 23.890 ( 1.375 -0.000 4.045) 4.272 23.913 ( 0.983 -0.000 2.386) 2.580 24.068 ( -0.392 0.000 8.883) 8.892 25.150 ( 4.754 -0.000 -6.766) 8.269 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.149 -15.617 -8.962) 18.477 1.583 ( -0.744 -23.681 -11.186) 26.201 1.690 ( -5.209 -2.519 6.919) 9.020 1.816 ( 2.507 -10.807 0.910) 11.131 1.908 ( -21.694 -1.597 -3.317) 22.005 2.151 ( -1.280 -4.328 -3.745) 5.865 2.363 ( -1.957 2.156 -4.332) 5.220 2.458 ( 0.195 -7.086 -1.640) 7.276 2.592 ( 9.540 -2.065 6.892) 11.949 2.748 ( -0.215 -1.246 -8.516) 8.609 2.919 ( 6.369 -3.571 -3.332) 8.026 2.951 ( 2.014 -5.443 8.334) 10.155 3.089 ( -0.445 3.563 0.704) 3.659 3.340 ( -1.465 -3.311 4.437) 5.727 3.390 ( 0.475 -0.252 -2.804) 2.855 3.521 ( -2.157 0.707 -2.807) 3.610 3.640 ( 2.531 8.791 5.912) 10.892 3.663 ( -5.543 -2.520 0.175) 6.092 3.884 ( -6.705 -2.298 -0.543) 7.109 4.001 ( -0.534 -4.725 -2.447) 5.348 4.128 ( -2.814 -0.625 -4.362) 5.228 4.278 ( 12.178 -5.608 -0.112) 13.408 4.429 ( -2.630 -0.566 0.770) 2.798 4.533 ( -1.264 -1.871 0.932) 2.443 4.916 ( 3.845 2.550 -3.824) 5.993 4.982 ( -0.222 0.576 -5.448) 5.482 5.115 ( 4.434 2.334 1.961) 5.381 5.262 ( -1.920 1.697 4.307) 5.012 5.322 ( -4.042 5.075 6.065) 8.881 5.427 ( -0.738 3.853 2.114) 4.456 5.639 ( 0.901 0.126 10.789) 10.827 5.721 ( -1.401 0.523 -1.876) 2.399 5.847 ( 2.403 -3.835 -2.324) 5.088 5.961 ( 4.792 6.131 -0.832) 7.826 6.113 ( -6.953 1.821 2.217) 7.522 6.154 ( -0.296 3.358 0.617) 3.427 6.266 ( 3.349 -4.386 -1.183) 5.644 6.475 ( 0.356 1.701 6.239) 6.476 6.611 ( 2.116 -1.320 -3.264) 4.108 7.193 ( -0.367 7.090 -10.289) 12.500 7.631 ( -3.592 5.257 3.019) 7.046 7.876 ( -0.505 -1.381 2.176) 2.626 7.916 ( 2.473 3.491 -2.114) 4.772 7.996 ( -0.054 -5.048 0.990) 5.144 8.053 ( -3.172 -2.530 -1.446) 4.308 8.175 ( 2.122 3.928 -1.466) 4.699 8.252 ( 3.991 0.661 4.057) 5.729 8.371 ( -2.936 3.148 2.782) 5.125 8.587 ( 4.873 -8.424 10.395) 14.239 9.019 ( -0.546 -5.958 -5.852) 8.369 9.284 ( -0.343 -3.155 -12.041) 12.452 9.852 ( 0.443 -7.321 -14.367) 16.131 9.928 ( -2.707 0.776 7.800) 8.293 10.237 ( -2.031 -0.130 -2.284) 3.059 10.502 ( 1.630 0.318 2.550) 3.043 10.596 ( -0.288 -4.580 -0.714) 4.644 10.787 ( -2.439 -2.074 0.049) 3.201 10.888 ( 5.679 0.781 -5.519) 7.957 10.990 ( 4.307 -5.143 1.591) 6.894 11.182 ( -6.964 -1.855 -10.961) 13.118 11.506 ( -3.273 -0.834 12.874) 13.310 11.809 ( 1.613 4.753 5.486) 7.436 11.880 ( -3.260 4.218 5.976) 8.008 11.955 ( 2.470 2.408 2.614) 4.328 12.425 ( -3.682 1.832 -8.467) 9.413 12.659 ( -1.155 8.423 -2.461) 8.851 12.768 ( -3.987 3.293 -1.327) 5.339 12.894 ( 0.890 -0.338 1.559) 1.826 13.135 ( 1.596 6.523 -5.567) 8.723 13.335 ( -2.240 -3.806 -0.545) 4.450 13.546 ( 6.939 4.455 1.646) 8.409 13.731 ( 3.174 1.711 -6.947) 7.827 14.011 ( -0.304 0.973 3.046) 3.212 14.066 ( 0.308 -0.919 3.811) 3.933 14.282 ( 0.250 -7.988 2.889) 8.498 14.505 ( 5.327 -16.014 -0.712) 16.892 17.399 ( -8.435 11.279 2.441) 14.294 17.584 ( -4.898 4.119 5.874) 8.687 17.690 ( 10.537 3.350 7.893) 13.585 18.089 ( 1.240 -0.830 -2.447) 2.866 20.729 ( -0.933 1.335 0.008) 1.629 21.270 ( 3.323 -0.408 -3.157) 4.602 21.410 ( -3.059 3.528 -1.808) 5.007 21.519 ( -3.642 -1.415 -4.338) 5.839 21.692 ( -0.365 -1.741 -4.777) 5.098 22.012 ( -6.810 -0.927 -12.566) 14.322 22.772 ( 2.994 2.507 5.546) 6.783 22.825 ( 3.228 -5.771 14.374) 15.822 23.024 ( 0.069 -8.153 0.606) 8.176 23.212 ( 2.013 -4.110 5.498) 7.154 23.656 ( 0.534 -0.772 -5.762) 5.838 23.667 ( -2.237 -1.417 -5.736) 6.318 23.908 ( 1.111 1.520 3.825) 4.263 23.934 ( 0.630 -0.016 2.325) 2.408 24.101 ( -1.221 0.967 9.018) 9.152 25.031 ( 2.262 12.177 -7.197) 14.324 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -2.028 -15.762 -2.036) 16.022 1.630 ( -16.109 -1.298 2.265) 16.319 1.861 ( -8.808 -15.631 -16.194) 24.169 1.910 ( -7.991 -12.495 2.472) 15.036 2.090 ( 7.170 -10.827 4.845) 13.860 2.277 ( 4.620 -6.810 -4.647) 9.451 2.330 ( -4.446 -7.693 0.953) 8.936 2.620 ( 3.938 -8.386 -4.023) 10.101 2.756 ( 4.862 -2.109 -4.972) 7.266 2.791 ( 2.264 -9.582 1.593) 9.974 2.946 ( 4.327 3.605 -3.694) 6.735 3.076 ( 6.922 -1.651 0.350) 7.125 3.146 ( 0.551 -3.433 10.310) 10.881 3.296 ( 2.976 7.193 0.120) 7.785 3.452 ( -5.526 -7.538 -1.959) 9.550 3.539 ( 1.746 3.954 8.452) 9.493 3.558 ( 0.475 -2.869 2.031) 3.547 3.707 ( -5.552 -9.768 -6.539) 13.000 3.881 ( -7.141 -3.038 0.342) 7.768 4.039 ( 1.337 1.553 -4.823) 5.240 4.057 ( -7.242 0.620 0.661) 7.298 4.325 ( 3.220 3.553 -4.363) 6.483 4.490 ( 4.103 -1.216 4.425) 6.156 4.599 ( 1.556 -3.427 -3.392) 5.067 4.888 ( 1.504 1.280 -1.535) 2.501 4.962 ( 3.475 -2.725 -2.815) 5.237 5.120 ( 3.847 1.691 -1.008) 4.322 5.231 ( -2.956 4.922 5.503) 7.952 5.253 ( -3.647 0.065 7.377) 8.229 5.361 ( 2.179 3.046 1.032) 3.885 5.621 ( -8.437 5.459 4.623) 11.062 5.670 ( 0.529 0.576 -0.704) 1.052 5.835 ( 0.832 7.437 -3.502) 8.262 5.915 ( 0.660 1.227 -1.562) 2.093 6.037 ( -0.582 0.267 -0.872) 1.082 6.122 ( -2.497 -0.686 6.430) 6.932 6.402 ( 1.826 -2.300 -0.005) 2.937 6.506 ( 8.066 0.282 9.340) 12.344 6.633 ( 2.648 -0.157 -3.782) 4.620 6.955 ( -6.028 6.831 -10.777) 14.112 7.565 ( 0.885 2.306 4.362) 5.013 7.823 ( -1.388 4.841 -0.391) 5.051 7.860 ( -2.276 3.736 -1.057) 4.500 7.950 ( -2.800 7.048 0.542) 7.603 8.146 ( 2.457 -4.694 -0.103) 5.299 8.174 ( 1.755 -3.223 0.944) 3.789 8.274 ( -0.750 3.577 2.893) 4.661 8.316 ( 4.072 0.634 2.206) 4.675 8.816 ( -2.181 -6.613 6.602) 9.595 9.137 ( 4.660 -6.143 -1.396) 7.836 9.328 ( 1.920 -7.064 -7.328) 10.358 9.835 ( -3.036 2.005 -2.170) 4.236 9.879 ( -7.936 5.141 2.399) 9.755 10.334 ( 11.451 -9.401 -13.936) 20.339 10.542 ( 1.759 -0.529 4.360) 4.731 10.669 ( -2.267 -5.038 -2.214) 5.951 10.851 ( -2.496 -5.490 -1.116) 6.133 10.929 ( 9.881 -3.817 -6.241) 12.294 11.085 ( -2.997 -3.702 -3.820) 6.106 11.224 ( 3.526 -7.620 0.436) 8.407 11.547 ( -5.317 0.477 11.083) 12.301 11.666 ( -6.473 7.550 3.345) 10.492 11.775 ( -0.548 6.435 5.518) 8.494 11.980 ( 3.922 0.968 0.881) 4.134 12.319 ( -4.703 0.430 -6.764) 8.250 12.479 ( -1.330 8.125 -0.450) 8.246 12.653 ( -2.455 5.629 1.405) 6.300 12.890 ( 3.430 1.621 -3.388) 5.086 13.004 ( 1.335 5.657 -3.612) 6.843 13.290 ( -1.690 2.913 -3.506) 4.862 13.582 ( -3.907 -1.548 2.914) 5.114 13.681 ( 1.043 0.661 -3.781) 3.977 14.051 ( 3.809 -0.750 2.746) 4.755 14.148 ( 4.372 -3.263 2.842) 6.152 14.458 ( -1.484 -9.081 2.623) 9.568 14.870 ( 12.028 -14.425 -0.345) 18.785 17.038 ( -12.293 18.443 3.202) 22.395 17.435 ( -6.422 7.786 3.670) 10.740 17.762 ( 8.509 1.864 5.383) 10.240 18.103 ( 0.750 -1.214 -2.990) 3.313 20.689 ( -1.807 1.655 1.311) 2.779 21.241 ( 3.132 3.912 -7.601) 9.104 21.381 ( -0.998 -2.518 4.137) 4.945 21.489 ( -4.162 -1.626 -3.869) 5.910 21.726 ( 1.012 -2.438 -3.006) 4.000 21.916 ( -2.434 0.543 -6.548) 7.007 22.799 ( 0.855 -0.526 5.220) 5.315 23.051 ( 4.061 -7.341 3.991) 9.290 23.211 ( 2.260 -10.117 4.629) 11.353 23.345 ( 1.084 -4.824 4.801) 6.892 23.656 ( 0.591 -1.158 -5.363) 5.518 23.658 ( -1.224 -3.009 -5.232) 6.159 23.896 ( 0.274 2.428 3.930) 4.627 23.948 ( 0.666 0.130 1.473) 1.622 24.102 ( -1.259 2.236 6.600) 7.082 24.675 ( -4.132 19.374 -7.670) 21.242 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -10.796 -0.637 8.816) 13.953 1.749 ( -6.442 -14.638 0.302) 15.996 1.885 ( -7.696 -5.521 -11.827) 15.152 2.157 ( -0.840 -12.652 3.668) 13.200 2.334 ( 4.958 -5.625 5.055) 9.043 2.423 ( -3.663 -7.252 1.586) 8.278 2.502 ( 5.311 -8.583 -2.713) 10.452 2.714 ( 1.458 -1.641 -8.491) 8.770 2.804 ( 6.781 -2.554 -7.493) 10.424 2.919 ( 3.528 0.314 2.266) 4.205 3.045 ( 0.831 -9.588 -3.076) 10.103 3.097 ( 3.873 2.536 2.889) 5.457 3.190 ( -4.635 0.170 5.729) 7.371 3.232 ( 6.919 3.821 -1.741) 8.093 3.455 ( -5.587 2.261 3.761) 7.105 3.549 ( -1.061 -0.710 -0.673) 1.443 3.705 ( 11.046 -3.775 1.284) 11.744 3.832 ( -1.018 -5.627 -1.619) 5.943 3.871 ( -6.112 -6.100 -6.899) 11.053 3.972 ( -9.651 -2.397 7.138) 12.241 4.036 ( 1.190 0.602 1.467) 1.983 4.229 ( 0.262 4.673 -6.929) 8.362 4.560 ( 2.853 -0.188 3.949) 4.875 4.602 ( 1.051 1.284 -1.431) 2.191 4.880 ( -1.440 -2.526 -4.935) 5.728 5.104 ( 3.426 -4.545 1.196) 5.816 5.118 ( -3.458 -1.932 -1.490) 4.232 5.138 ( 5.373 6.402 3.217) 8.956 5.229 ( -4.075 2.731 6.610) 8.231 5.387 ( 2.115 -1.095 1.557) 2.846 5.481 ( -7.723 0.750 3.822) 8.649 5.617 ( -1.487 4.857 -6.747) 8.445 5.710 ( 3.200 4.987 1.794) 6.191 5.840 ( -3.283 3.420 -0.849) 4.816 6.005 ( 0.967 2.792 1.906) 3.516 6.208 ( 2.031 -3.796 0.512) 4.336 6.369 ( -2.075 3.962 1.798) 4.821 6.580 ( -3.285 2.130 -6.524) 7.608 6.659 ( 10.900 -0.782 8.183) 13.652 6.813 ( -1.330 0.225 -5.627) 5.787 7.589 ( 4.139 0.264 2.566) 4.877 7.709 ( -2.206 6.923 -3.129) 7.911 7.730 ( -2.089 3.233 0.479) 3.878 7.827 ( -3.483 3.123 1.737) 4.990 8.169 ( -0.096 4.419 -0.812) 4.494 8.227 ( 0.795 -0.542 2.291) 2.485 8.282 ( 1.766 -4.766 0.341) 5.093 8.370 ( 2.006 -0.567 0.998) 2.311 8.878 ( -4.349 -2.119 2.914) 5.648 9.282 ( 3.148 -6.368 2.183) 7.431 9.490 ( 4.195 -6.828 1.901) 8.236 9.624 ( -11.218 8.103 -4.428) 14.530 9.799 ( -1.400 2.736 3.270) 4.488 10.496 ( 11.815 -3.688 -10.874) 16.475 10.595 ( 1.818 -1.720 1.744) 3.050 10.708 ( -4.905 -3.120 -0.707) 5.856 10.927 ( -0.265 -5.471 -5.387) 7.683 11.038 ( 9.570 2.610 -4.845) 11.039 11.117 ( 2.032 -4.092 -4.838) 6.654 11.328 ( -5.604 -1.772 1.728) 6.126 11.497 ( -4.644 6.270 7.134) 10.572 11.661 ( 5.303 -10.038 -0.602) 11.369 11.733 ( -2.190 0.774 8.022) 8.351 11.970 ( 2.506 2.943 -0.559) 3.905 12.271 ( -5.883 -0.675 2.001) 6.251 12.347 ( -0.214 4.347 -1.042) 4.476 12.560 ( -1.480 3.073 3.632) 4.982 12.871 ( -2.930 -1.340 -9.101) 9.655 12.923 ( 9.235 4.934 1.942) 10.649 13.213 ( -2.869 0.598 -3.989) 4.950 13.522 ( -5.007 3.230 2.586) 6.495 13.697 ( -0.747 -1.968 -1.956) 2.874 14.112 ( 4.397 -0.533 0.692) 4.483 14.244 ( 2.082 -1.641 1.989) 3.314 14.600 ( -1.375 -5.602 1.985) 6.100 15.213 ( 12.873 -9.856 0.595) 16.224 16.602 ( -14.152 15.766 3.397) 21.457 17.272 ( -3.356 5.211 -0.650) 6.232 17.801 ( 4.713 2.462 1.993) 5.678 18.114 ( 1.118 -0.887 -3.391) 3.679 20.664 ( -2.333 0.328 3.427) 4.159 21.167 ( 2.195 1.886 -5.718) 6.408 21.421 ( -3.340 -1.123 -0.891) 3.634 21.501 ( 1.357 -1.629 2.128) 3.004 21.746 ( -1.356 -2.585 -1.403) 3.239 21.909 ( 4.504 0.201 -0.191) 4.512 22.836 ( -1.392 -0.609 3.520) 3.834 23.204 ( 2.031 -5.727 -3.668) 7.098 23.407 ( 1.422 -2.662 4.140) 5.123 23.455 ( -0.014 -5.916 1.737) 6.166 23.658 ( 0.636 -1.352 -3.299) 3.621 23.718 ( 2.855 -5.655 -3.295) 7.141 23.863 ( -0.811 3.208 3.752) 5.003 23.957 ( 1.052 0.247 0.780) 1.332 24.073 ( -0.913 2.408 3.162) 4.078 24.239 ( -7.719 15.818 -4.516) 18.171 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 12.776 -0.000 -7.047) 14.591 1.170 ( -9.088 0.000 -11.532) 14.682 1.627 ( -16.240 0.000 -2.949) 16.506 1.686 ( -15.951 0.000 4.209) 16.497 1.758 ( 6.498 -0.000 6.410) 9.128 2.069 ( 0.916 -0.000 -8.064) 8.116 2.362 ( -7.874 0.000 -4.881) 9.264 2.367 ( 1.202 -0.000 -0.513) 1.307 2.585 ( -12.223 0.000 -6.834) 14.003 2.727 ( 5.826 -0.000 0.116) 5.827 2.906 ( 11.204 -0.000 3.496) 11.737 2.935 ( -0.982 0.000 -0.827) 1.283 3.116 ( 2.757 -0.000 6.509) 7.069 3.295 ( 1.791 -0.000 0.296) 1.816 3.459 ( 2.422 -0.000 -3.175) 3.993 3.524 ( -12.337 0.000 -4.836) 13.251 3.537 ( 3.440 -0.000 1.163) 3.631 3.774 ( 2.498 -0.000 -6.401) 6.871 3.859 ( -3.658 0.000 12.406) 12.934 3.903 ( -0.985 0.000 -0.704) 1.211 4.105 ( 1.068 -0.000 -3.225) 3.397 4.352 ( 14.756 -0.000 7.616) 16.605 4.411 ( -1.181 0.000 -0.400) 1.247 4.525 ( -0.803 0.000 1.831) 2.000 4.940 ( -2.589 0.000 -6.821) 7.296 4.950 ( 4.177 -0.000 -5.002) 6.517 5.157 ( -0.807 0.000 -0.840) 1.164 5.248 ( -5.667 0.000 2.186) 6.074 5.431 ( 0.548 -0.000 4.248) 4.283 5.436 ( -1.884 0.000 6.005) 6.294 5.679 ( 3.298 -0.000 1.328) 3.555 5.776 ( -1.072 0.000 9.001) 9.065 5.796 ( 0.558 -0.000 -3.071) 3.121 6.036 ( -0.456 0.000 -3.436) 3.466 6.066 ( -6.154 0.000 2.064) 6.491 6.160 ( -4.796 0.000 -6.484) 8.065 6.276 ( 9.319 -0.000 3.732) 10.039 6.512 ( -3.058 0.000 7.179) 7.803 6.614 ( 5.501 -0.000 -1.760) 5.775 7.229 ( 1.231 -0.000 -13.397) 13.454 7.675 ( -2.557 0.000 3.046) 3.977 7.853 ( -0.683 0.000 0.692) 0.972 7.913 ( -7.280 0.000 1.592) 7.452 7.971 ( 2.705 -0.000 -2.131) 3.444 8.010 ( 3.828 -0.000 -1.830) 4.243 8.208 ( 1.130 -0.000 -3.188) 3.383 8.311 ( 3.626 -0.000 5.893) 6.919 8.387 ( -4.280 0.000 1.402) 4.504 8.607 ( 5.347 -0.000 9.398) 10.813 8.942 ( 4.862 -0.000 -3.174) 5.806 9.199 ( 2.340 -0.000 -11.267) 11.507 9.670 ( 2.724 -0.000 -17.084) 17.300 9.981 ( -5.379 0.000 11.400) 12.605 10.191 ( -5.934 0.000 -1.136) 6.041 10.518 ( 0.045 -0.000 1.252) 1.253 10.556 ( 1.072 -0.000 -0.599) 1.228 10.744 ( -1.617 0.000 -2.225) 2.750 10.926 ( 5.729 -0.000 -4.855) 7.510 10.963 ( -3.113 0.000 -0.479) 3.150 11.061 ( 1.812 -0.000 -8.478) 8.670 11.554 ( -2.705 0.000 14.851) 15.095 11.896 ( -3.147 0.000 6.698) 7.401 11.904 ( -2.009 0.000 3.419) 3.965 12.034 ( 1.004 -0.000 5.703) 5.791 12.362 ( -4.086 0.000 -9.862) 10.675 12.671 ( -4.947 0.000 -10.085) 11.233 12.711 ( -5.534 0.000 0.010) 5.534 12.981 ( 3.383 -0.000 8.191) 8.863 13.209 ( 4.731 -0.000 -6.866) 8.338 13.270 ( 0.959 -0.000 0.464) 1.065 13.714 ( 2.904 -0.000 -9.912) 10.329 13.731 ( 7.786 -0.000 -0.777) 7.825 14.010 ( -3.272 0.000 5.689) 6.563 14.030 ( -3.401 0.000 -1.528) 3.729 14.274 ( 0.425 -0.000 3.018) 3.048 14.371 ( 15.201 -0.000 1.681) 15.293 17.413 ( -11.686 0.000 -0.331) 11.691 17.602 ( -5.385 0.000 5.322) 7.571 17.905 ( 9.788 -0.000 13.457) 16.641 18.089 ( 1.841 -0.000 1.352) 2.284 20.738 ( -0.227 0.000 -0.631) 0.670 21.258 ( 0.848 -0.000 -2.028) 2.198 21.420 ( -2.060 0.000 -3.419) 3.991 21.444 ( -2.733 0.000 -8.411) 8.843 21.625 ( -2.911 0.000 -3.332) 4.425 21.912 ( -1.973 0.000 -7.735) 7.982 22.828 ( 2.685 -0.000 6.425) 6.964 22.899 ( -1.183 0.000 11.246) 11.308 22.909 ( -0.088 0.000 -0.448) 0.456 23.240 ( 4.184 -0.000 7.579) 8.657 23.589 ( -3.575 0.000 -6.995) 7.856 23.625 ( 1.133 -0.000 -6.693) 6.789 23.949 ( -0.121 0.000 2.455) 2.458 23.954 ( 1.594 -0.000 3.174) 3.552 24.154 ( -1.819 0.000 11.207) 11.354 25.148 ( 4.252 -0.000 -7.868) 8.943 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -5.860 -13.680 -4.686) 15.602 1.388 ( -6.118 -14.467 -13.903) 20.977 1.443 ( -21.661 -7.810 -2.327) 23.144 1.680 ( -4.189 -3.847 4.640) 7.340 1.970 ( 5.493 -10.942 6.964) 14.086 2.151 ( 0.914 -7.847 -2.111) 8.177 2.186 ( -8.717 -2.544 -4.782) 10.263 2.438 ( 1.439 -6.692 -3.266) 7.584 2.591 ( -5.131 -10.274 -2.147) 11.683 2.788 ( 4.866 -0.364 0.425) 4.898 2.939 ( -2.641 -4.024 -2.737) 5.538 3.077 ( 11.221 -2.981 -1.384) 11.692 3.218 ( 3.499 -1.771 8.673) 9.519 3.258 ( -0.537 1.361 -2.595) 2.979 3.401 ( -8.467 1.189 -3.019) 9.067 3.454 ( -0.985 -1.632 -4.404) 4.799 3.574 ( 6.289 1.505 5.398) 8.423 3.755 ( 4.131 5.313 5.021) 8.397 3.829 ( -0.636 -1.793 -0.339) 1.932 3.999 ( -2.435 -4.279 5.818) 7.622 4.076 ( 0.909 2.907 -3.368) 4.541 4.367 ( 0.935 2.561 -3.925) 4.779 4.507 ( -2.199 -0.850 -0.621) 2.438 4.579 ( 12.012 -2.705 5.909) 13.657 4.878 ( -3.406 -0.022 -6.761) 7.570 4.962 ( 4.263 -0.949 -0.554) 4.403 5.107 ( -4.199 1.571 -2.230) 5.007 5.231 ( -4.480 -1.742 4.008) 6.259 5.399 ( 3.511 5.145 6.457) 8.971 5.442 ( 0.492 3.359 1.101) 3.569 5.661 ( -1.194 5.147 -2.739) 5.952 5.730 ( -4.117 3.069 7.594) 9.167 5.856 ( 1.820 -4.951 -4.644) 7.028 5.927 ( -3.942 4.319 -3.858) 7.006 6.025 ( -5.457 2.989 -3.915) 7.351 6.102 ( -3.211 -2.415 4.632) 6.132 6.415 ( 6.221 -2.137 4.073) 7.737 6.565 ( 2.214 -4.426 7.348) 8.859 6.659 ( 6.849 1.030 -1.384) 7.063 7.008 ( -4.773 10.732 -16.041) 19.882 7.652 ( 1.231 3.118 6.113) 6.972 7.823 ( -5.816 0.507 0.488) 5.859 7.936 ( 2.422 3.100 -1.112) 4.088 8.002 ( 0.022 -7.405 -0.658) 7.434 8.038 ( 1.309 -0.263 -1.612) 2.093 8.170 ( -0.937 2.273 -0.958) 2.639 8.327 ( -3.097 1.494 -2.756) 4.407 8.371 ( 3.199 0.283 6.318) 7.087 8.742 ( 1.548 -4.269 6.425) 7.867 9.076 ( 9.313 -5.659 0.215) 10.900 9.209 ( 5.691 -3.584 -6.215) 9.157 9.723 ( 2.949 -7.683 -12.551) 15.008 9.954 ( -7.196 3.469 9.970) 12.776 10.177 ( 2.343 -6.559 -6.416) 9.470 10.550 ( 0.008 -2.068 4.531) 4.980 10.575 ( -1.609 -2.199 -1.930) 3.339 10.741 ( -1.074 -2.674 -3.142) 4.263 10.900 ( 0.752 -1.713 -6.486) 6.750 10.978 ( 3.064 -2.864 -4.411) 6.087 11.139 ( 5.064 -5.003 -0.226) 7.122 11.599 ( -3.890 1.048 15.206) 15.731 11.782 ( -9.387 8.543 4.963) 13.628 11.885 ( -3.797 3.031 5.741) 7.521 12.049 ( 4.227 1.720 0.961) 4.663 12.257 ( -3.682 1.447 -8.936) 9.773 12.574 ( -3.606 3.747 -6.744) 8.516 12.640 ( -5.790 0.458 0.130) 5.810 13.002 ( 4.604 5.200 5.719) 8.997 13.117 ( 3.407 7.003 -7.085) 10.528 13.328 ( 2.537 -1.329 -1.444) 3.207 13.604 ( -0.053 6.879 -2.330) 7.263 13.683 ( 0.165 1.690 -6.415) 6.636 14.036 ( -4.388 -3.223 2.239) 5.887 14.127 ( 5.487 -4.737 2.228) 7.584 14.330 ( 4.717 -5.154 1.851) 7.228 14.700 ( 14.733 -15.395 1.090) 21.337 17.216 ( -12.252 10.004 -1.666) 15.905 17.518 ( -10.999 5.947 7.569) 14.617 17.977 ( 8.472 5.157 7.904) 12.683 18.094 ( 2.047 3.542 3.361) 5.294 20.715 ( -1.136 1.608 1.013) 2.214 21.279 ( 3.838 0.416 -9.547) 10.298 21.335 ( -4.350 -0.091 1.582) 4.630 21.414 ( -1.910 -1.780 -1.452) 2.987 21.636 ( -2.825 -3.860 -3.859) 6.146 21.895 ( 3.464 -1.457 -2.430) 4.475 22.828 ( -0.331 1.077 2.262) 2.527 22.960 ( 0.351 -5.367 -1.098) 5.489 23.076 ( 2.281 -9.305 12.400) 15.670 23.332 ( 3.099 -1.991 5.425) 6.557 23.542 ( -3.674 -2.696 -7.636) 8.892 23.612 ( 1.265 -1.176 -5.745) 5.999 23.948 ( -0.607 1.058 2.267) 2.574 23.976 ( 1.585 0.646 2.372) 2.925 24.177 ( -1.850 2.146 9.926) 10.322 24.956 ( -1.263 17.410 -9.943) 20.089 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -20.476 -8.712 0.766) 22.266 1.343 ( -13.467 -18.706 -0.689) 23.060 1.610 ( -4.128 -11.886 -1.957) 12.734 1.867 ( 0.886 -17.763 -1.027) 17.814 2.166 ( -5.091 -10.774 0.604) 11.931 2.309 ( 5.941 -8.158 3.658) 10.735 2.394 ( 6.688 -9.117 -0.408) 11.314 2.604 ( 3.841 -9.631 -6.651) 12.318 2.758 ( 2.346 -7.287 -4.597) 8.930 2.839 ( 0.672 -5.435 -0.216) 5.480 2.964 ( -0.879 2.100 0.079) 2.278 3.125 ( -0.892 -6.111 -4.685) 7.752 3.232 ( -1.726 3.561 2.126) 4.493 3.289 ( -0.229 1.464 1.293) 1.967 3.360 ( -4.650 -6.139 -1.897) 7.932 3.503 ( -2.973 -4.480 1.087) 5.486 3.672 ( 7.698 -2.991 4.468) 9.390 3.738 ( 8.599 4.322 8.349) 12.741 3.861 ( 0.566 1.367 -1.267) 1.948 3.986 ( -1.105 1.479 5.438) 5.743 4.064 ( 0.949 -0.267 0.627) 1.169 4.291 ( 2.850 3.845 -8.841) 10.053 4.490 ( -4.863 -2.622 -4.051) 6.851 4.685 ( 4.674 1.786 2.149) 5.445 4.825 ( -1.307 -0.292 -4.720) 4.907 5.026 ( -6.048 -0.998 -0.871) 6.192 5.081 ( 6.519 -2.792 0.776) 7.134 5.254 ( -3.253 0.775 6.547) 7.351 5.363 ( 4.352 6.048 5.826) 9.459 5.385 ( 1.078 1.455 -0.441) 1.864 5.488 ( -7.483 5.246 1.464) 9.255 5.671 ( -0.601 4.859 -2.839) 5.659 5.805 ( 1.154 2.055 -2.251) 3.259 5.853 ( -6.832 2.927 -1.711) 7.627 6.013 ( 3.943 -4.786 -4.636) 7.742 6.167 ( -2.065 -2.025 8.206) 8.701 6.440 ( -2.021 2.783 4.846) 5.942 6.581 ( -4.431 6.651 -8.561) 11.712 6.758 ( 8.059 -1.612 2.921) 8.722 6.795 ( 4.251 -0.919 -4.127) 5.995 7.669 ( 4.431 1.423 6.007) 7.599 7.751 ( -4.837 2.392 0.194) 5.400 7.840 ( 1.242 8.047 -3.667) 8.930 7.904 ( -2.063 7.082 -0.166) 7.378 8.172 ( 0.929 -5.986 -0.990) 6.138 8.187 ( -2.407 -3.395 1.936) 4.590 8.259 ( 0.173 2.475 -2.901) 3.817 8.412 ( 2.798 1.095 4.040) 5.035 8.825 ( -1.459 -2.600 1.995) 3.587 9.197 ( 4.678 -4.292 -0.716) 6.389 9.390 ( 6.876 -8.085 1.206) 10.681 9.674 ( -8.076 6.366 -1.714) 10.425 9.855 ( -5.886 3.714 5.113) 8.636 10.419 ( 11.979 -9.581 -11.702) 19.293 10.578 ( -1.470 -1.840 -3.341) 4.087 10.628 ( 0.436 -2.507 6.726) 7.191 10.790 ( -0.269 -5.242 -4.057) 6.634 11.000 ( 4.421 -6.593 -8.507) 11.635 11.087 ( 12.293 -4.941 -3.669) 13.748 11.270 ( -1.770 -3.710 2.829) 4.990 11.555 ( -10.443 4.740 3.858) 12.100 11.622 ( 1.121 0.493 10.824) 10.893 11.817 ( -1.694 4.225 6.538) 7.967 12.044 ( 2.990 2.661 -1.437) 4.253 12.192 ( -2.240 -1.835 -3.724) 4.717 12.424 ( -3.124 5.096 -2.354) 6.424 12.589 ( -5.886 0.535 1.274) 6.047 12.880 ( 0.434 9.003 -2.591) 9.378 13.066 ( 6.209 1.538 1.066) 6.485 13.272 ( 4.369 6.674 -5.637) 9.768 13.533 ( -4.251 0.710 2.619) 5.043 13.651 ( 1.843 -1.148 -5.300) 5.728 14.080 ( -3.350 -3.977 0.583) 5.232 14.235 ( 1.611 -1.939 2.765) 3.742 14.514 ( 6.811 -6.668 0.328) 9.537 15.116 ( 14.663 -13.452 0.923) 19.920 16.808 ( -17.206 18.406 1.854) 25.264 17.322 ( -11.451 5.887 4.509) 13.643 17.950 ( 6.318 7.488 2.667) 10.153 18.076 ( 0.176 -1.514 -3.447) 3.769 20.683 ( -1.957 1.651 3.844) 4.618 21.196 ( 1.993 2.757 -7.834) 8.540 21.348 ( -3.860 -1.875 -0.702) 4.349 21.493 ( 2.330 -3.576 5.707) 7.126 21.643 ( -4.194 -3.506 -4.143) 6.859 22.004 ( 12.876 -0.339 4.145) 13.531 22.831 ( -1.415 -0.248 2.520) 2.901 23.070 ( 0.957 -7.195 -4.159) 8.365 23.345 ( 3.061 -8.544 6.865) 11.379 23.399 ( 0.438 -1.415 0.903) 1.734 23.560 ( -1.440 -6.308 -6.494) 9.167 23.637 ( 2.082 -2.679 -2.335) 4.119 23.924 ( -0.876 1.991 2.118) 3.036 23.985 ( 1.593 0.808 1.482) 2.322 24.145 ( -2.082 4.011 6.024) 7.531 24.457 ( -11.797 20.031 -8.673) 24.812 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -18.801 0.000 -11.642) 22.113 1.088 ( -29.282 0.000 -10.988) 31.275 1.224 ( 5.343 -0.000 -1.098) 5.455 1.628 ( -14.462 0.000 4.927) 15.279 1.891 ( 0.732 -0.000 2.703) 2.801 1.947 ( -18.131 0.000 0.060) 18.131 2.126 ( 10.989 -0.000 0.888) 11.025 2.407 ( 4.968 -0.000 -1.819) 5.290 2.439 ( -3.425 0.000 1.802) 3.870 2.820 ( 1.917 -0.000 0.445) 1.968 2.843 ( -3.630 0.000 -4.525) 5.801 3.134 ( 10.809 -0.000 1.993) 10.991 3.235 ( -7.842 0.000 -5.175) 9.396 3.293 ( 7.704 -0.000 3.114) 8.309 3.391 ( 0.513 -0.000 -0.024) 0.513 3.431 ( 1.782 -0.000 -4.691) 5.018 3.654 ( 3.682 -0.000 5.761) 6.837 3.787 ( 7.592 -0.000 -5.043) 9.114 3.919 ( 1.981 -0.000 2.781) 3.415 3.931 ( -1.305 0.000 8.471) 8.571 4.105 ( 0.789 -0.000 -1.215) 1.449 4.391 ( -0.898 0.000 -0.148) 0.910 4.483 ( -3.669 0.000 1.442) 3.942 4.695 ( 11.861 -0.000 6.321) 13.440 4.799 ( -5.401 0.000 -5.531) 7.730 4.947 ( -2.930 0.000 0.465) 2.966 5.105 ( 0.323 -0.000 -0.628) 0.706 5.180 ( -3.708 0.000 2.202) 4.313 5.492 ( 1.950 -0.000 2.272) 2.994 5.529 ( 4.723 -0.000 4.643) 6.623 5.688 ( -1.378 0.000 -7.143) 7.275 5.757 ( -0.138 0.000 -5.470) 5.472 5.759 ( -7.150 0.000 5.536) 9.043 5.931 ( -2.806 0.000 -6.603) 7.174 5.977 ( -6.565 0.000 -5.381) 8.488 6.075 ( -1.349 0.000 8.672) 8.776 6.444 ( 5.201 -0.000 -3.407) 6.217 6.509 ( -6.341 0.000 6.819) 9.311 6.750 ( 8.947 -0.000 1.499) 9.071 6.999 ( -3.249 0.000 -24.635) 24.848 7.760 ( 3.944 -0.000 9.503) 10.289 7.790 ( -5.943 0.000 -0.439) 5.959 7.867 ( 0.770 -0.000 0.099) 0.776 7.985 ( 1.784 -0.000 -2.027) 2.700 8.045 ( 1.498 -0.000 -3.012) 3.364 8.160 ( -1.169 0.000 -4.923) 5.060 8.288 ( -5.037 0.000 -0.660) 5.080 8.439 ( 2.844 -0.000 6.790) 7.361 8.745 ( 1.270 -0.000 4.544) 4.718 9.112 ( 12.151 -0.000 3.054) 12.529 9.237 ( 10.314 -0.000 0.826) 10.347 9.577 ( 5.379 -0.000 -12.865) 13.944 9.973 ( -9.350 0.000 11.699) 14.976 10.078 ( -3.860 0.000 -3.065) 4.929 10.523 ( -3.770 0.000 -1.485) 4.052 10.546 ( -0.786 0.000 6.514) 6.561 10.694 ( -0.851 0.000 -3.649) 3.747 10.829 ( -1.235 0.000 -6.357) 6.476 10.985 ( 6.869 -0.000 -3.839) 7.869 11.132 ( 4.799 -0.000 -0.894) 4.882 11.657 ( -5.481 0.000 15.996) 16.909 11.838 ( -12.447 0.000 10.174) 16.076 11.877 ( -3.397 0.000 0.854) 3.503 12.093 ( 1.736 -0.000 -1.082) 2.045 12.214 ( -1.757 0.000 -6.560) 6.791 12.497 ( -3.198 0.000 -7.576) 8.223 12.653 ( -2.979 0.000 2.557) 3.925 13.131 ( 5.023 -0.000 6.330) 8.081 13.169 ( 2.257 -0.000 -13.682) 13.867 13.336 ( 5.104 -0.000 1.482) 5.315 13.651 ( 3.110 -0.000 -11.218) 11.641 13.700 ( -6.399 0.000 -1.384) 6.547 13.890 ( -6.964 0.000 -6.746) 9.695 14.172 ( 11.224 -0.000 4.378) 12.048 14.352 ( 2.176 -0.000 5.160) 5.600 14.649 ( 14.685 -0.000 1.555) 14.767 17.188 ( -10.742 0.000 -4.606) 11.688 17.537 ( -9.157 0.000 6.269) 11.097 18.012 ( 1.101 -0.000 -3.391) 3.565 18.381 ( 12.701 -0.000 20.632) 24.228 20.734 ( -1.186 0.000 4.408) 4.565 21.244 ( 2.265 -0.000 -8.798) 9.085 21.313 ( -3.414 0.000 -0.462) 3.445 21.378 ( -1.374 0.000 3.747) 3.991 21.558 ( -2.804 0.000 -0.160) 2.808 21.870 ( 1.793 -0.000 -2.569) 3.133 22.854 ( -0.467 0.000 0.382) 0.603 22.873 ( -1.632 0.000 -1.431) 2.170 23.078 ( 2.482 -0.000 14.716) 14.924 23.361 ( 2.279 -0.000 2.221) 3.182 23.432 ( -4.923 0.000 -9.156) 10.395 23.586 ( 1.857 -0.000 -3.578) 4.032 23.959 ( -0.970 0.000 1.401) 1.704 24.007 ( 1.427 -0.000 1.564) 2.117 24.237 ( -2.295 0.000 10.193) 10.448 25.111 ( 4.272 -0.000 -15.520) 16.097 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -16.876 -19.815 -7.312) 27.035 0.946 ( -23.221 -14.601 1.969) 27.501 1.295 ( -21.233 -11.303 4.431) 24.459 1.548 ( -4.740 -10.233 -3.359) 11.767 1.991 ( 2.421 -7.960 6.863) 10.785 2.143 ( 2.486 -17.245 1.433) 17.482 2.287 ( 8.470 -5.734 0.702) 10.253 2.444 ( 1.276 -4.556 -2.045) 5.154 2.547 ( -0.160 -9.693 1.511) 9.812 2.811 ( -0.117 -1.705 -2.209) 2.793 2.863 ( -2.988 -4.118 -0.906) 5.168 3.137 ( -3.551 3.230 -3.291) 5.820 3.216 ( -2.653 6.862 -3.241) 8.040 3.254 ( 6.424 -2.665 -0.785) 6.999 3.374 ( -0.220 1.318 1.105) 1.734 3.496 ( 7.163 -3.392 1.482) 8.063 3.761 ( 5.418 4.850 2.538) 7.701 3.822 ( 3.257 -6.859 2.143) 7.889 3.928 ( 5.961 0.347 6.020) 8.479 4.041 ( 1.520 -2.961 -0.416) 3.354 4.049 ( -0.171 5.007 1.697) 5.289 4.334 ( -0.245 3.889 -3.937) 5.539 4.425 ( -5.100 2.336 -3.717) 6.729 4.756 ( -3.015 -1.942 -2.678) 4.476 4.774 ( 4.392 2.033 3.131) 5.764 4.965 ( -5.459 -2.366 2.536) 6.467 5.112 ( 5.949 -0.094 1.994) 6.275 5.207 ( -2.146 -2.649 2.815) 4.421 5.471 ( 2.008 3.956 0.027) 4.436 5.547 ( 3.661 5.064 3.862) 7.347 5.553 ( -5.164 6.630 -0.600) 8.425 5.714 ( -2.153 1.991 -2.197) 3.664 5.780 ( 0.009 -1.331 -8.034) 8.144 5.852 ( -4.182 3.306 0.145) 5.333 5.899 ( 1.361 -5.380 -2.999) 6.308 6.148 ( -3.352 -2.400 7.358) 8.435 6.438 ( -6.765 -1.664 1.711) 7.173 6.591 ( -1.731 -4.122 -9.779) 10.752 6.793 ( 3.603 2.409 -11.194) 12.004 6.809 ( 7.386 0.616 1.937) 7.661 7.719 ( -3.761 1.331 0.733) 4.057 7.807 ( 4.601 2.621 5.362) 7.536 7.950 ( 1.427 1.590 -3.680) 4.256 7.990 ( -0.829 1.729 -1.696) 2.560 8.019 ( -0.931 -5.232 0.096) 5.315 8.133 ( -0.803 -0.667 -2.421) 2.636 8.263 ( -0.384 -0.591 -1.075) 1.286 8.485 ( 1.825 0.878 5.574) 5.930 8.783 ( -0.566 -1.051 3.172) 3.389 9.236 ( 9.696 0.181 2.059) 9.914 9.355 ( 7.826 -2.150 3.217) 8.730 9.674 ( -0.256 -2.067 -3.238) 3.850 9.883 ( -11.047 4.227 6.654) 13.571 10.250 ( 13.871 -14.055 -8.875) 21.650 10.501 ( -2.309 -2.894 -1.709) 4.078 10.630 ( 1.438 -2.870 7.074) 7.769 10.694 ( -0.896 -3.126 1.160) 3.453 10.878 ( 7.464 -7.497 -6.112) 12.218 11.069 ( 10.125 -4.838 -0.149) 11.223 11.194 ( 1.181 -4.044 0.417) 4.233 11.612 ( -13.283 8.188 6.490) 16.900 11.716 ( -2.566 2.623 12.443) 12.972 11.876 ( -3.629 0.396 4.834) 6.058 12.087 ( 1.614 0.932 -3.361) 3.844 12.153 ( 0.441 1.000 -3.989) 4.135 12.439 ( -2.816 1.715 -4.975) 5.969 12.582 ( -5.151 3.871 2.858) 7.049 13.081 ( 2.281 5.928 -6.359) 8.988 13.145 ( 4.879 4.238 4.341) 7.786 13.375 ( 5.546 1.330 -4.322) 7.156 13.528 ( -4.329 3.459 -2.219) 5.969 13.629 ( 2.102 0.137 -7.021) 7.331 13.908 ( -7.910 -8.026 -3.356) 11.758 14.259 ( 4.028 1.118 3.619) 5.529 14.467 ( 7.728 -6.081 1.952) 10.025 14.968 ( 14.941 -15.887 0.357) 21.812 16.977 ( -11.586 12.088 -4.579) 17.358 17.371 ( -17.212 9.495 9.301) 21.746 18.019 ( 1.209 -1.859 -4.050) 4.618 18.252 ( 0.641 20.193 0.179) 20.204 20.741 ( -1.172 2.921 10.036) 10.518 21.198 ( 1.833 0.775 -11.627) 11.796 21.313 ( -1.688 -0.137 5.570) 5.821 21.464 ( 0.496 -3.838 9.508) 10.266 21.545 ( -3.167 -1.136 -1.522) 3.693 22.088 ( 19.587 -11.654 7.344) 23.946 22.832 ( -0.997 0.469 1.313) 1.714 22.925 ( 0.009 -6.065 -3.449) 6.977 23.262 ( 3.476 -7.603 10.415) 13.356 23.375 ( -3.530 -3.824 -7.442) 9.081 23.383 ( -0.498 -1.930 -4.102) 4.561 23.610 ( 2.318 -1.533 0.227) 2.788 23.948 ( -1.111 0.835 0.761) 1.585 24.017 ( 1.140 0.573 0.532) 1.383 24.233 ( -3.021 3.275 7.299) 8.551 24.693 ( -15.390 25.381 -20.873) 36.287 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -19.989 0.000 -0.411) 19.993 0.479 ( -26.603 0.000 2.290) 26.701 0.950 ( -41.473 0.000 17.034) 44.835 1.474 ( 1.266 -0.000 0.518) 1.368 1.910 ( -0.291 0.000 2.080) 2.100 2.018 ( 7.519 -0.000 8.219) 11.140 2.322 ( 12.014 -0.000 -4.649) 12.882 2.383 ( -6.808 0.000 2.345) 7.200 2.492 ( 3.949 -0.000 2.693) 4.780 2.732 ( -4.254 0.000 -3.890) 5.765 2.838 ( -0.360 0.000 2.072) 2.103 3.096 ( -3.069 0.000 -0.590) 3.125 3.284 ( 4.884 -0.000 -1.029) 4.991 3.331 ( -1.509 0.000 -2.313) 2.762 3.382 ( 0.743 -0.000 -2.650) 2.752 3.501 ( 9.340 -0.000 -2.299) 9.619 3.752 ( 0.074 -0.000 5.642) 5.643 3.880 ( 4.926 -0.000 -1.096) 5.046 3.986 ( 1.259 -0.000 -0.273) 1.288 4.008 ( 6.061 -0.000 -1.416) 6.224 4.140 ( 4.299 -0.000 0.646) 4.347 4.372 ( -2.188 0.000 0.610) 2.272 4.396 ( -6.736 0.000 -1.321) 6.865 4.670 ( -4.770 0.000 -0.716) 4.823 4.875 ( -5.899 0.000 3.491) 6.854 4.876 ( 2.922 -0.000 4.998) 5.790 5.179 ( -0.071 0.000 0.905) 0.908 5.283 ( 14.042 -0.000 12.368) 18.712 5.534 ( 2.734 -0.000 4.407) 5.186 5.539 ( -2.884 0.000 -6.959) 7.533 5.630 ( -1.952 0.000 5.036) 5.401 5.699 ( 2.024 -0.000 -3.500) 4.043 5.718 ( 1.565 -0.000 -0.007) 1.565 5.846 ( -0.076 0.000 -4.760) 4.761 5.883 ( -1.919 0.000 -0.475) 1.977 6.134 ( -22.368 0.000 -20.014) 30.015 6.148 ( -2.084 0.000 8.989) 9.227 6.428 ( -9.320 0.000 4.204) 10.224 6.789 ( 4.663 -0.000 -10.374) 11.374 6.888 ( 4.641 -0.000 -1.630) 4.919 7.710 ( -2.412 0.000 -0.550) 2.474 7.866 ( 0.477 -0.000 -1.570) 1.641 7.900 ( 0.044 -0.000 -0.812) 0.813 7.993 ( 0.988 -0.000 -0.944) 1.367 8.029 ( 0.429 -0.000 2.569) 2.605 8.091 ( 0.678 -0.000 -6.441) 6.477 8.249 ( -1.226 0.000 2.803) 3.059 8.510 ( -0.503 0.000 0.404) 0.645 8.856 ( 5.211 -0.000 13.892) 14.837 9.321 ( 6.220 -0.000 3.852) 7.316 9.529 ( 13.891 -0.000 6.635) 15.395 9.582 ( 6.442 -0.000 -5.772) 8.650 9.966 ( -5.638 0.000 11.004) 12.365 10.036 ( 3.975 -0.000 -3.144) 5.068 10.422 ( -6.447 0.000 0.357) 6.457 10.619 ( -1.078 0.000 -1.026) 1.488 10.770 ( 12.264 -0.000 26.383) 29.094 10.795 ( 3.698 -0.000 -5.448) 6.585 11.113 ( 10.501 -0.000 8.242) 13.349 11.160 ( 0.861 -0.000 -2.130) 2.297 11.692 ( -2.609 0.000 13.508) 13.758 11.735 ( -10.986 0.000 9.390) 14.452 11.865 ( -0.102 0.000 4.264) 4.266 12.090 ( 1.959 -0.000 -3.194) 3.746 12.166 ( -0.415 0.000 -0.164) 0.446 12.425 ( 0.682 -0.000 -1.925) 2.043 12.643 ( -2.133 0.000 2.632) 3.388 12.960 ( -7.340 0.000 -16.527) 18.084 13.279 ( 5.527 -0.000 4.254) 6.974 13.442 ( 5.106 -0.000 0.599) 5.141 13.552 ( 0.162 -0.000 -12.696) 12.697 13.557 ( -8.352 0.000 -0.821) 8.392 13.729 ( -3.652 0.000 -0.668) 3.713 14.376 ( 8.162 -0.000 0.606) 8.185 14.431 ( 0.420 -0.000 6.080) 6.094 14.868 ( 8.229 -0.000 1.285) 8.329 16.992 ( -3.250 0.000 -7.720) 8.376 17.442 ( -9.953 0.000 7.317) 12.354 17.987 ( 1.368 -0.000 -4.617) 4.815 18.441 ( -19.023 0.000 -53.080) 56.385 20.916 ( 6.115 -0.000 15.907) 17.042 21.152 ( 1.768 -0.000 -10.494) 10.642 21.350 ( 0.172 -0.000 8.790) 8.792 21.517 ( -0.538 0.000 1.708) 1.791 21.780 ( 34.362 -0.000 66.477) 74.833 21.882 ( 1.980 -0.000 -2.099) 2.886 22.839 ( -0.674 0.000 -1.199) 1.376 22.842 ( -0.812 0.000 -0.997) 1.286 23.224 ( -6.357 0.000 -11.542) 13.177 23.266 ( 2.480 -0.000 11.469) 11.734 23.362 ( 0.910 -0.000 -4.489) 4.580 23.623 ( 1.977 -0.000 2.600) 3.266 23.948 ( -1.206 0.000 -0.077) 1.209 24.029 ( 0.551 -0.000 -0.659) 0.859 24.273 ( -4.226 0.000 6.053) 7.382 24.697 ( -26.715 0.000 -59.753) 65.453 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 10.635 -0.000 21.057) 23.590 1.112 ( -15.842 0.000 26.110) 30.540 1.435 ( -5.355 0.000 1.698) 5.618 1.690 ( 16.269 -0.000 32.067) 35.958 1.908 ( 1.252 -0.000 -6.210) 6.335 2.094 ( 3.605 -0.000 -3.468) 5.003 2.185 ( 7.026 -0.000 -12.281) 14.149 2.411 ( -6.737 0.000 9.255) 11.447 2.559 ( 2.328 -0.000 -3.597) 4.285 2.715 ( -7.390 0.000 8.144) 10.997 2.924 ( -8.768 0.000 -14.460) 16.911 2.995 ( 0.522 -0.000 8.522) 8.538 3.162 ( 4.554 -0.000 -4.067) 6.106 3.273 ( -0.986 0.000 -4.794) 4.894 3.378 ( 2.041 -0.000 4.636) 5.066 3.657 ( 11.358 -0.000 -2.191) 11.568 3.740 ( -4.319 0.000 -4.678) 6.367 3.780 ( -2.020 0.000 -6.975) 7.262 3.905 ( 5.617 -0.000 -4.152) 6.984 3.923 ( -4.330 0.000 -1.632) 4.628 4.170 ( -3.026 0.000 3.631) 4.727 4.202 ( -8.863 0.000 0.323) 8.869 4.419 ( 7.052 -0.000 5.089) 8.697 4.713 ( -2.180 0.000 -1.035) 2.413 4.865 ( -1.230 0.000 1.090) 1.643 4.953 ( 3.833 -0.000 -4.479) 5.895 5.067 ( -12.222 0.000 3.966) 12.849 5.230 ( 5.471 -0.000 -1.428) 5.654 5.506 ( 10.262 -0.000 -4.409) 11.169 5.566 ( 2.938 -0.000 -5.685) 6.400 5.607 ( -6.356 0.000 0.210) 6.359 5.635 ( -7.485 0.000 -0.046) 7.485 5.796 ( 1.108 -0.000 3.954) 4.107 5.898 ( 3.569 -0.000 -1.476) 3.862 5.926 ( -2.048 0.000 8.824) 9.058 6.287 ( -10.358 0.000 9.851) 14.295 6.405 ( 7.496 -0.000 -10.970) 13.287 6.518 ( -4.579 0.000 8.266) 9.450 6.677 ( 10.760 -0.000 -8.855) 13.935 6.822 ( 10.454 -0.000 -5.967) 12.037 7.633 ( -2.286 0.000 -0.968) 2.483 7.766 ( -3.474 0.000 1.192) 3.673 7.767 ( 0.199 -0.000 -5.660) 5.663 7.933 ( 4.884 -0.000 -6.287) 7.961 8.051 ( 3.292 -0.000 2.599) 4.194 8.108 ( -1.797 0.000 0.531) 1.873 8.360 ( 1.849 -0.000 3.376) 3.849 8.425 ( -4.350 0.000 -0.575) 4.388 9.394 ( 3.855 -0.000 10.957) 11.615 9.441 ( -4.689 0.000 3.124) 5.634 9.665 ( 11.397 -0.000 0.488) 11.407 9.698 ( -17.942 0.000 -2.530) 18.120 9.727 ( -0.424 0.000 5.393) 5.410 10.069 ( 5.291 -0.000 -5.736) 7.803 10.399 ( 0.075 -0.000 3.907) 3.908 10.597 ( 1.716 -0.000 -2.084) 2.699 10.766 ( 4.657 -0.000 -1.426) 4.870 10.867 ( 2.641 -0.000 -9.044) 9.421 11.137 ( 2.971 -0.000 0.688) 3.050 11.268 ( -7.522 0.000 -3.107) 8.138 11.743 ( -19.364 0.000 2.749) 19.558 11.783 ( -0.010 0.000 2.390) 2.390 11.912 ( -3.010 0.000 2.707) 4.048 12.052 ( 2.272 -0.000 -3.517) 4.187 12.349 ( -2.862 0.000 12.967) 13.279 12.530 ( 5.997 -0.000 3.614) 7.002 12.632 ( -3.759 0.000 -0.210) 3.765 12.966 ( 7.369 -0.000 -14.616) 16.369 13.358 ( -9.164 0.000 1.287) 9.254 13.456 ( 7.778 -0.000 -3.425) 8.499 13.513 ( 2.705 -0.000 3.084) 4.103 13.661 ( 3.080 -0.000 -3.609) 4.745 14.130 ( 16.699 -0.000 5.675) 17.637 14.351 ( -4.680 0.000 -4.806) 6.708 14.808 ( 18.656 -0.000 3.787) 19.036 14.908 ( -5.198 0.000 -1.301) 5.358 16.550 ( -37.594 0.000 4.825) 37.902 16.804 ( 13.401 -0.000 -7.786) 15.499 17.534 ( -7.519 0.000 8.697) 11.496 17.860 ( 5.154 -0.000 -7.400) 9.019 20.957 ( -4.277 0.000 -0.719) 4.337 21.004 ( 4.517 -0.000 -3.653) 5.809 21.618 ( -0.057 0.000 4.920) 4.921 21.749 ( 1.116 -0.000 10.867) 10.924 21.836 ( 5.408 -0.000 0.445) 5.426 22.383 ( -14.551 0.000 -13.731) 20.007 22.813 ( 3.242 -0.000 -0.495) 3.280 22.879 ( -12.094 0.000 -5.375) 13.234 23.003 ( -10.558 0.000 5.669) 11.984 23.226 ( 3.221 -0.000 -5.793) 6.628 23.648 ( 0.804 -0.000 7.290) 7.334 23.771 ( 0.994 -0.000 4.143) 4.261 23.862 ( -2.043 0.000 -3.711) 4.236 23.872 ( 10.486 -0.000 -1.175) 10.551 24.139 ( 28.065 -0.000 3.296) 28.258 24.213 ( -13.865 0.000 -0.467) 13.873 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -3.667 -8.323 20.527) 22.452 1.300 ( 5.503 -13.245 17.646) 22.739 1.533 ( -5.560 -14.700 -7.747) 17.522 1.936 ( 0.756 -5.902 -1.655) 6.176 2.095 ( 11.815 -7.756 24.524) 28.305 2.174 ( 3.039 -8.105 1.897) 8.861 2.245 ( 4.181 -7.329 -14.494) 16.771 2.534 ( 3.155 -10.783 7.736) 13.641 2.637 ( 3.304 -6.377 -2.702) 7.674 2.686 ( -9.351 -5.560 -5.793) 12.326 2.857 ( -5.201 -2.774 0.461) 5.913 3.032 ( 2.266 1.892 8.204) 8.719 3.150 ( 1.931 0.930 -5.813) 6.195 3.225 ( -2.752 0.084 -8.664) 9.091 3.408 ( -0.860 0.730 6.103) 6.206 3.614 ( -4.156 4.699 -1.858) 6.542 3.647 ( -2.456 5.235 -2.815) 6.431 3.714 ( 4.729 1.911 -6.792) 8.494 3.895 ( -6.296 -2.926 -1.427) 7.087 4.016 ( 5.309 -5.075 -5.212) 9.006 4.104 ( -2.171 3.668 5.200) 6.724 4.153 ( 1.932 2.703 3.124) 4.561 4.549 ( 5.038 -3.196 6.633) 8.922 4.674 ( -9.166 -3.785 -8.566) 13.104 4.816 ( -0.646 5.216 -1.492) 5.463 4.936 ( 6.231 2.251 -2.961) 7.257 5.077 ( -4.618 -5.879 9.044) 11.734 5.272 ( -1.313 -0.782 0.541) 1.621 5.508 ( -2.435 1.469 -3.982) 4.893 5.535 ( -5.319 0.935 -0.625) 5.437 5.568 ( 1.186 2.320 -0.152) 2.610 5.649 ( 2.714 -1.743 -1.691) 3.642 5.749 ( 5.791 7.781 0.340) 9.705 5.796 ( 5.097 3.872 -0.793) 6.450 5.994 ( -0.642 2.847 5.262) 6.017 6.137 ( -2.458 9.488 1.477) 9.912 6.314 ( -4.524 2.862 1.104) 5.466 6.544 ( 0.900 -3.864 -6.417) 7.544 6.786 ( -2.427 -4.658 -3.229) 6.166 6.902 ( 12.390 0.859 -3.751) 12.974 7.601 ( -2.790 0.510 2.144) 3.556 7.730 ( -2.264 -0.095 0.035) 2.266 7.812 ( 2.038 -2.755 -4.757) 5.863 7.907 ( 3.644 3.445 -4.481) 6.725 8.102 ( -1.509 -1.062 -0.195) 1.855 8.122 ( 2.422 -2.392 1.760) 3.832 8.403 ( -2.046 -2.320 0.575) 3.146 8.411 ( 0.522 -0.817 2.160) 2.367 9.268 ( -14.128 6.413 5.050) 16.316 9.486 ( -6.390 5.757 1.787) 8.784 9.493 ( -1.669 -1.289 2.157) 3.016 9.715 ( 10.169 4.965 2.663) 11.626 9.787 ( -1.517 -2.044 8.837) 9.196 10.156 ( 1.603 -7.300 -11.780) 13.951 10.464 ( 5.235 -1.958 4.948) 7.464 10.616 ( 2.204 -1.374 -3.336) 4.228 10.813 ( 3.353 -1.425 -3.787) 5.255 10.844 ( 0.282 -2.690 -7.650) 8.114 11.163 ( 3.804 0.974 3.047) 4.970 11.174 ( -7.835 1.334 -2.275) 8.267 11.578 ( -12.745 2.052 6.866) 14.622 11.818 ( 2.270 -0.886 2.873) 3.767 11.899 ( -3.501 0.320 3.491) 4.954 12.057 ( 0.660 -0.943 -3.827) 3.997 12.390 ( -4.580 1.656 8.565) 9.853 12.542 ( 1.437 4.899 1.154) 5.234 12.601 ( 4.140 0.936 4.512) 6.194 12.933 ( 3.007 1.747 -13.452) 13.894 13.315 ( -5.381 -2.254 2.147) 6.216 13.459 ( -0.644 2.117 -1.383) 2.609 13.578 ( 3.217 -0.696 2.469) 4.115 13.685 ( 2.840 -2.448 -4.804) 6.094 14.092 ( -13.360 13.338 -5.817) 19.754 14.134 ( 8.265 6.145 3.982) 11.042 14.811 ( -10.082 -3.492 4.628) 11.630 15.110 ( 3.663 -9.701 -6.858) 12.432 16.412 ( -4.411 0.828 8.553) 9.659 16.931 ( 18.342 -0.991 -6.605) 19.520 17.576 ( -4.887 -4.891 6.165) 9.263 17.890 ( 5.756 -2.059 -6.847) 9.179 20.910 ( -4.469 0.778 0.918) 4.628 21.044 ( 4.917 -1.477 -3.104) 6.000 21.572 ( -0.521 5.704 4.647) 7.376 21.659 ( -1.562 8.505 0.117) 8.648 21.947 ( 8.020 -0.280 14.653) 16.707 22.168 ( -12.034 3.212 -9.554) 15.698 22.816 ( -0.475 -0.553 2.810) 2.904 22.884 ( -6.949 -8.436 -6.348) 12.640 23.105 ( -6.283 -12.231 2.780) 14.028 23.255 ( 0.217 -4.061 -3.260) 5.212 23.713 ( 2.036 -1.593 6.274) 6.785 23.799 ( 0.392 -0.015 2.753) 2.780 23.820 ( -2.410 0.226 -3.903) 4.593 23.883 ( 1.326 0.585 -3.361) 3.660 24.062 ( -10.390 2.522 -3.178) 11.154 24.324 ( 27.346 8.386 0.281) 28.605 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.811 -9.836 15.242) 18.159 1.690 ( 5.031 -14.892 1.282) 15.771 1.720 ( -3.614 -11.381 4.797) 12.869 2.113 ( 3.060 -10.661 -2.555) 11.382 2.299 ( -0.347 -4.861 -11.708) 12.682 2.364 ( 1.123 -4.875 14.880) 15.698 2.457 ( 3.284 -13.916 -1.716) 14.401 2.658 ( 1.153 -6.042 -12.124) 13.595 2.765 ( -4.425 -7.658 -1.131) 8.916 2.868 ( -5.990 -2.678 2.908) 7.177 2.960 ( 0.895 -10.186 6.164) 11.939 3.054 ( 2.391 2.870 -0.169) 3.739 3.112 ( 5.380 -3.162 3.476) 7.143 3.186 ( 0.840 -2.290 -7.607) 7.988 3.399 ( -4.197 -1.435 2.001) 4.866 3.483 ( -7.145 4.985 4.362) 9.743 3.592 ( -1.564 -0.091 -1.485) 2.158 3.626 ( 4.674 2.118 -3.539) 6.234 3.926 ( -1.476 -3.164 -0.435) 3.519 4.029 ( 4.842 3.238 -3.687) 6.893 4.082 ( 1.806 2.403 5.581) 6.339 4.235 ( 4.068 -5.561 2.304) 7.265 4.595 ( -12.941 -3.502 -7.230) 15.232 4.611 ( -0.429 2.447 -0.829) 2.619 4.793 ( 7.089 -1.986 0.631) 7.388 4.927 ( 6.723 4.376 -1.478) 8.157 5.234 ( -5.603 -1.930 2.505) 6.434 5.240 ( -4.940 -5.121 5.717) 9.127 5.418 ( -2.986 3.861 3.099) 5.781 5.431 ( -6.079 5.633 2.949) 8.796 5.506 ( -0.157 4.826 -4.776) 6.791 5.556 ( 1.382 1.746 0.964) 2.426 5.751 ( 6.062 4.423 -6.103) 9.672 5.834 ( 2.941 -0.283 -3.211) 4.363 5.957 ( 4.040 1.744 2.628) 5.126 5.999 ( 2.147 0.128 -1.049) 2.393 6.273 ( -4.171 1.150 3.168) 5.362 6.557 ( 1.372 0.299 -5.524) 5.700 6.793 ( -2.098 -0.192 -0.620) 2.196 6.907 ( 5.635 4.773 -0.732) 7.421 7.576 ( -4.272 0.785 1.696) 4.663 7.730 ( -0.371 0.341 2.861) 2.905 7.790 ( 4.401 4.934 -2.222) 6.975 7.869 ( 1.833 0.386 -5.016) 5.354 8.072 ( -3.305 2.114 1.577) 4.228 8.207 ( 0.961 -4.297 -0.308) 4.414 8.385 ( -3.933 0.517 -0.788) 4.044 8.477 ( 2.801 -0.691 2.777) 4.005 9.074 ( -17.461 0.669 3.596) 17.840 9.379 ( -6.641 2.546 0.984) 7.180 9.532 ( 4.943 -2.425 -0.226) 5.510 9.704 ( 11.372 7.325 3.114) 13.881 9.841 ( -5.460 -0.843 9.390) 10.894 10.217 ( 3.453 -5.063 -12.230) 13.680 10.589 ( 4.727 -3.057 0.801) 5.686 10.630 ( 4.990 -0.116 -2.395) 5.536 10.806 ( -3.239 -2.533 -6.455) 7.654 10.914 ( 3.531 -2.921 -4.483) 6.411 11.093 ( -7.112 -1.748 -0.770) 7.364 11.205 ( 3.747 0.545 5.659) 6.809 11.550 ( -3.982 -2.537 5.435) 7.199 11.795 ( -2.900 4.331 0.819) 5.277 11.935 ( 1.887 -1.764 3.782) 4.580 12.059 ( 1.494 -0.481 -2.227) 2.725 12.267 ( -8.632 5.958 1.196) 10.556 12.481 ( -0.105 3.551 4.045) 5.384 12.647 ( 4.547 1.918 5.704) 7.543 12.830 ( 2.180 3.857 -10.632) 11.518 13.332 ( 0.602 5.534 8.548) 10.201 13.374 ( -2.277 1.137 -3.629) 4.432 13.525 ( -10.470 7.595 -0.029) 12.935 13.699 ( -4.601 0.952 -4.510) 6.513 13.843 ( 1.226 -6.106 -4.531) 7.702 14.167 ( 5.360 -0.458 1.980) 5.732 14.791 ( -14.103 -3.235 1.313) 14.528 15.251 ( 1.662 -6.350 -1.529) 6.740 16.422 ( 3.139 2.937 5.959) 7.348 17.042 ( 16.657 2.043 -5.255) 17.585 17.666 ( -2.684 -4.645 4.350) 6.907 17.951 ( 5.587 -2.699 -6.063) 8.675 20.862 ( -4.726 1.508 3.397) 6.013 21.089 ( 4.624 -0.384 -4.020) 6.140 21.478 ( -1.969 4.345 1.515) 5.005 21.544 ( 1.769 3.813 1.687) 4.530 21.984 ( -6.604 2.958 -6.320) 9.608 22.054 ( 7.497 4.387 12.511) 15.231 22.840 ( -4.925 -2.061 3.631) 6.457 22.958 ( -4.503 -8.211 -7.162) 11.790 23.286 ( -4.139 -10.570 -1.275) 11.423 23.344 ( -4.349 -6.949 1.260) 8.294 23.758 ( -0.327 2.124 -1.939) 2.894 23.794 ( -0.594 -1.388 0.492) 1.587 23.801 ( -0.401 -1.063 1.081) 1.569 23.875 ( 1.995 -0.445 -2.475) 3.210 23.963 ( -2.900 0.348 -1.138) 3.135 24.319 ( 18.454 12.109 0.900) 22.091 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.404 -7.439 11.362) 14.000 1.879 ( -5.374 -5.076 8.658) 11.384 1.958 ( 3.154 -8.034 -0.325) 8.637 2.256 ( -5.714 -3.794 -4.147) 8.015 2.333 ( 5.589 -6.875 -11.672) 14.654 2.473 ( 2.165 -0.801 5.064) 5.566 2.617 ( -1.033 -6.515 -7.721) 10.155 2.713 ( 0.150 3.416 -2.964) 4.525 2.793 ( 2.721 1.170 -5.375) 6.137 2.859 ( -5.631 -1.578 0.812) 5.904 2.957 ( -2.773 -1.558 2.201) 3.868 3.101 ( -4.453 -4.376 0.834) 6.299 3.195 ( -3.038 -4.527 -3.182) 6.312 3.233 ( 2.455 2.410 4.144) 5.386 3.343 ( -4.576 2.439 -3.393) 6.197 3.489 ( -1.128 -4.494 5.795) 7.420 3.707 ( 3.564 -6.896 0.772) 7.801 3.742 ( 11.079 -8.058 1.892) 13.829 3.930 ( 2.924 -0.129 -4.928) 5.732 4.026 ( 5.041 3.043 3.614) 6.909 4.092 ( -0.591 1.163 6.949) 7.070 4.377 ( 3.776 -2.213 4.299) 6.135 4.520 ( -8.874 -4.224 -6.018) 11.524 4.548 ( -1.754 2.435 -2.384) 3.833 4.849 ( 1.438 4.853 -5.133) 7.209 4.915 ( 3.869 -4.342 0.457) 5.834 5.171 ( -6.116 -0.252 -0.504) 6.142 5.240 ( -6.783 1.731 1.351) 7.130 5.335 ( -0.238 4.209 5.906) 7.256 5.386 ( -1.525 2.725 1.057) 3.297 5.494 ( 3.214 -4.903 -0.981) 5.944 5.575 ( 1.463 0.561 3.514) 3.847 5.661 ( -1.271 1.296 -4.078) 4.464 5.801 ( 0.075 3.594 -0.897) 3.705 5.943 ( 2.829 1.400 -0.924) 3.289 6.137 ( 3.606 -6.639 -0.889) 7.607 6.243 ( -2.552 -0.634 2.743) 3.800 6.505 ( 1.414 3.471 -3.675) 5.249 6.771 ( -0.621 0.830 -1.298) 1.662 6.864 ( 6.234 4.201 2.755) 8.007 7.532 ( -3.455 -0.227 -0.720) 3.537 7.695 ( 1.950 4.492 1.415) 5.097 7.731 ( 0.309 3.729 -0.220) 3.748 7.868 ( 1.697 -0.818 -2.313) 2.983 7.998 ( -4.244 2.276 1.200) 4.963 8.299 ( 0.814 -4.786 -1.403) 5.054 8.323 ( -2.198 2.172 0.776) 3.186 8.476 ( -1.613 2.835 2.866) 4.342 8.998 ( -9.236 -1.092 4.783) 10.458 9.285 ( -8.069 -1.782 -4.962) 9.639 9.635 ( 3.141 -0.154 4.610) 5.581 9.692 ( 11.647 3.508 0.858) 12.194 9.796 ( -7.159 3.326 3.533) 8.648 10.319 ( 8.717 -5.558 -6.554) 12.241 10.588 ( 1.539 0.638 -6.042) 6.267 10.756 ( 6.963 -3.295 2.339) 8.051 10.771 ( -3.883 -0.384 -4.823) 6.203 10.945 ( 3.464 -0.805 -2.388) 4.283 11.106 ( -5.592 -4.682 -4.419) 8.528 11.264 ( 1.342 -0.804 7.235) 7.402 11.584 ( -3.952 2.249 3.930) 6.010 11.714 ( -1.547 -1.865 -0.267) 2.438 11.940 ( 3.502 5.082 -2.649) 6.716 12.035 ( -0.844 4.567 1.985) 5.051 12.190 ( -4.499 -5.373 3.437) 7.805 12.447 ( -1.645 2.050 6.439) 6.955 12.644 ( -0.934 3.166 1.575) 3.658 12.758 ( 7.140 1.554 -8.006) 10.839 13.118 ( -7.893 12.460 -1.442) 14.820 13.251 ( 0.048 5.322 -0.961) 5.408 13.460 ( -3.408 -3.081 3.239) 5.622 13.666 ( -2.929 -1.374 -3.252) 4.587 14.008 ( 5.413 -6.416 -0.460) 8.406 14.226 ( 0.907 -1.798 0.705) 2.133 14.726 ( -10.471 -1.113 0.566) 10.546 15.362 ( 1.286 -4.006 1.291) 4.401 16.415 ( 1.192 2.348 4.586) 5.288 17.087 ( 10.695 2.074 -5.382) 12.151 17.743 ( -2.484 -3.404 4.467) 6.141 18.008 ( 4.832 -1.674 -5.579) 7.568 20.809 ( -4.796 1.928 4.191) 6.654 21.084 ( 3.837 1.713 -5.326) 6.784 21.419 ( -1.861 1.106 0.895) 2.342 21.538 ( 2.234 0.150 1.295) 2.587 21.890 ( -0.826 1.100 -3.679) 3.927 22.044 ( 5.007 7.472 8.959) 12.696 22.836 ( -8.025 -2.811 -0.502) 8.518 23.035 ( -2.463 -5.925 -4.022) 7.573 23.382 ( -5.642 -4.001 -1.322) 7.042 23.449 ( -1.411 -7.502 -0.378) 7.643 23.719 ( 0.892 1.712 -0.183) 1.939 23.789 ( -1.388 -0.838 -0.552) 1.713 23.856 ( -0.305 -3.016 0.780) 3.130 23.898 ( 3.656 0.284 -1.220) 3.865 23.957 ( -0.356 -0.607 0.533) 0.883 24.230 ( 10.370 10.269 1.683) 14.691 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -4.936 1.543 10.605) 11.798 1.854 ( -4.935 5.789 7.159) 10.446 2.036 ( 1.800 3.616 6.014) 7.245 2.279 ( -0.356 -4.842 -2.592) 5.503 2.356 ( -2.168 2.512 -6.946) 7.698 2.468 ( 0.162 3.897 -8.559) 9.406 2.551 ( 1.054 3.964 -9.145) 10.023 2.687 ( 4.512 2.500 2.957) 5.946 2.803 ( -3.150 0.978 0.635) 3.359 2.820 ( 2.025 -4.696 -2.138) 5.542 2.998 ( -0.423 -2.559 -6.977) 7.443 3.111 ( 1.335 -0.128 4.412) 4.611 3.181 ( 2.084 4.286 1.526) 5.004 3.271 ( -4.448 -2.725 1.801) 5.519 3.364 ( -0.212 -7.945 -1.429) 8.076 3.537 ( -2.573 0.464 2.686) 3.749 3.814 ( 3.370 -3.408 -4.128) 6.325 3.953 ( 10.198 0.436 0.308) 10.212 3.974 ( 5.647 2.369 -1.510) 6.307 4.019 ( -1.245 -0.401 8.072) 8.178 4.049 ( -3.772 2.536 3.908) 5.995 4.341 ( -3.185 8.749 8.666) 12.720 4.511 ( -5.562 -1.311 -4.661) 7.374 4.555 ( 5.555 -3.524 -1.743) 6.805 4.762 ( 0.724 1.386 -5.930) 6.133 4.983 ( -5.240 -2.776 -4.347) 7.352 5.148 ( -0.172 -0.762 1.182) 1.417 5.207 ( -3.819 -3.838 -1.448) 5.605 5.293 ( -0.452 2.154 5.068) 5.525 5.386 ( 2.954 0.055 3.017) 4.223 5.518 ( 1.117 3.977 -1.073) 4.268 5.583 ( -1.845 -1.192 2.490) 3.320 5.676 ( -2.013 -2.945 1.597) 3.908 5.743 ( -0.954 -0.003 -0.712) 1.190 5.958 ( 5.318 -0.649 -5.797) 7.893 6.240 ( -0.122 -3.159 -0.301) 3.176 6.281 ( -3.173 -3.113 3.190) 5.472 6.444 ( 1.286 1.976 -1.573) 2.834 6.729 ( 0.031 1.423 -3.882) 4.135 6.909 ( 6.054 -0.247 4.442) 7.513 7.530 ( -1.019 -2.285 -1.864) 3.120 7.652 ( 1.208 1.542 0.441) 2.008 7.685 ( 0.910 -0.023 -0.473) 1.025 7.847 ( -3.568 2.158 1.772) 4.531 7.990 ( 0.898 -4.157 -3.681) 5.625 8.275 ( -2.076 0.167 0.667) 2.187 8.388 ( -2.766 2.335 1.327) 3.855 8.406 ( 0.082 -1.557 3.454) 3.790 8.966 ( -1.448 2.251 4.496) 5.232 9.275 ( -6.724 -5.700 -5.666) 10.479 9.620 ( 1.979 7.124 8.147) 11.002 9.661 ( 0.116 4.090 -0.941) 4.198 9.778 ( 0.725 -2.799 0.631) 2.959 10.454 ( 8.553 -1.293 -4.138) 9.589 10.548 ( 2.200 1.399 -5.154) 5.776 10.716 ( -0.782 -0.118 -4.391) 4.462 10.858 ( 2.888 -0.248 1.493) 3.260 10.987 ( 3.065 -0.701 -0.281) 3.156 11.079 ( -3.408 0.018 -5.930) 6.839 11.323 ( -2.576 -2.099 6.151) 6.991 11.505 ( -3.648 1.451 1.898) 4.360 11.787 ( 0.046 -4.199 -1.035) 4.325 11.819 ( 3.565 6.144 -3.389) 7.871 12.006 ( -2.002 0.248 5.652) 6.001 12.293 ( -0.275 -4.011 2.883) 4.947 12.444 ( 0.844 3.656 8.434) 9.231 12.581 ( -1.322 -1.314 -4.023) 4.434 12.716 ( -7.488 3.381 -0.234) 8.220 12.946 ( 5.856 0.405 -6.517) 8.771 13.177 ( 4.104 4.034 0.889) 5.822 13.503 ( -1.256 -1.873 2.376) 3.276 13.649 ( -0.699 0.023 -2.414) 2.514 14.119 ( 1.880 -1.861 -0.922) 2.802 14.252 ( -2.586 -1.546 0.388) 3.038 14.681 ( -2.462 0.304 1.332) 2.815 15.424 ( 1.707 -0.199 1.405) 2.219 16.419 ( -3.196 -1.707 3.731) 5.201 17.107 ( 3.560 -1.229 -5.758) 6.880 17.799 ( -2.659 -2.628 3.727) 5.279 18.029 ( 3.893 0.299 -5.702) 6.911 20.765 ( -4.096 0.683 4.352) 6.015 21.056 ( 3.338 1.355 -4.922) 6.099 21.397 ( -1.608 0.494 1.308) 2.131 21.570 ( 1.155 -0.710 1.288) 1.870 21.835 ( -0.013 4.361 -1.907) 4.760 22.039 ( 6.152 0.127 6.256) 8.775 22.815 ( -5.762 -2.133 -2.640) 6.687 23.079 ( -0.705 -1.904 -2.326) 3.087 23.379 ( -2.638 -1.061 -2.567) 3.831 23.537 ( 0.204 -1.100 1.004) 1.504 23.692 ( 0.051 1.821 0.087) 1.824 23.785 ( 0.843 1.819 -0.051) 2.006 23.900 ( 1.188 0.509 0.286) 1.323 23.911 ( -1.679 -3.571 -1.179) 4.119 23.976 ( 0.035 -1.040 0.608) 1.205 24.168 ( 2.538 2.653 2.025) 4.193 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -11.230 9.956 11.055) 18.640 1.667 ( -5.875 13.998 15.043) 21.371 1.991 ( 0.306 9.299 10.692) 14.173 2.131 ( -3.528 13.624 -6.025) 15.308 2.291 ( 2.883 4.453 -5.574) 7.695 2.314 ( 2.429 5.700 -8.095) 10.194 2.514 ( 5.324 -0.334 -3.001) 6.121 2.655 ( 1.596 5.231 0.273) 5.476 2.779 ( 1.520 -0.398 2.132) 2.648 2.907 ( 2.137 -1.337 -3.343) 4.187 3.024 ( -2.124 -4.539 -7.381) 8.921 3.053 ( 2.674 9.604 4.295) 10.855 3.216 ( 0.902 2.134 2.610) 3.490 3.253 ( -1.403 -1.933 0.369) 2.417 3.464 ( -2.506 0.323 1.559) 2.969 3.526 ( 0.109 -2.257 -1.742) 2.853 3.792 ( -2.025 8.700 3.481) 9.587 3.857 ( 0.415 -2.821 -9.957) 10.357 3.956 ( 4.413 3.344 2.338) 6.010 4.033 ( 2.917 4.677 4.425) 7.068 4.135 ( -2.443 -6.226 3.547) 7.571 4.243 ( 3.907 3.688 4.508) 7.014 4.372 ( -6.480 7.259 -4.635) 10.778 4.658 ( 2.231 -3.384 -0.056) 4.053 4.782 ( 6.262 -1.273 -0.146) 6.391 4.913 ( -6.522 -0.687 -5.036) 8.269 5.190 ( -2.273 -2.822 1.802) 4.047 5.265 ( 2.114 -1.406 -0.403) 2.571 5.327 ( -2.091 -4.628 4.151) 6.559 5.408 ( 1.016 1.076 1.891) 2.401 5.471 ( 1.877 -0.442 -2.082) 2.837 5.582 ( -6.763 0.390 3.966) 7.850 5.683 ( 0.753 0.299 -3.948) 4.031 5.791 ( 0.424 -3.203 0.902) 3.355 5.970 ( 3.625 -0.450 -7.496) 8.339 6.245 ( -4.114 1.911 -4.005) 6.051 6.325 ( -1.497 -4.674 4.194) 6.456 6.460 ( 2.205 -2.108 1.658) 3.472 6.686 ( -0.498 0.909 -3.877) 4.013 6.965 ( 2.634 0.493 0.548) 2.735 7.587 ( 1.283 -4.851 -3.395) 6.058 7.668 ( -2.951 -3.208 1.117) 4.500 7.751 ( 3.370 -4.468 -0.745) 5.646 7.806 ( -1.734 -0.540 1.214) 2.185 8.088 ( 2.995 -5.167 -2.891) 6.636 8.262 ( -0.631 4.404 -0.225) 4.455 8.292 ( -4.593 0.128 3.720) 5.912 8.486 ( 1.010 -2.607 2.523) 3.766 8.953 ( 1.698 2.403 7.849) 8.383 9.274 ( 2.998 0.044 -7.419) 8.002 9.552 ( -4.911 0.703 7.286) 8.815 9.621 ( 1.908 3.645 2.321) 4.724 9.816 ( -4.558 -2.547 1.099) 5.336 10.402 ( -0.550 5.303 -2.217) 5.774 10.533 ( 8.026 2.884 -9.424) 12.710 10.716 ( -0.956 1.156 -1.625) 2.211 10.854 ( 3.326 0.106 3.093) 4.543 10.977 ( 4.590 5.986 -2.806) 8.048 11.049 ( -1.689 -3.215 -6.136) 7.130 11.373 ( -6.009 -3.125 8.970) 11.240 11.477 ( -2.105 0.305 -0.009) 2.127 11.764 ( 5.055 1.606 -2.907) 6.049 11.875 ( -0.239 -5.211 1.143) 5.341 12.021 ( -2.296 -0.708 3.606) 4.333 12.329 ( 4.856 4.399 2.504) 7.014 12.383 ( 0.817 3.647 0.923) 3.849 12.597 ( -10.074 -0.122 3.649) 10.715 12.704 ( 0.083 -10.842 3.853) 11.506 13.017 ( 6.284 -4.136 -7.708) 10.771 13.197 ( 7.642 0.503 3.123) 8.271 13.534 ( 0.901 -0.687 0.832) 1.405 13.624 ( 2.524 2.281 -1.966) 3.930 14.087 ( -3.500 3.507 -2.873) 5.727 14.249 ( -4.499 -1.461 0.038) 4.730 14.685 ( 6.162 2.180 1.994) 6.834 15.404 ( 2.543 4.697 -0.005) 5.341 16.470 ( -8.068 -6.911 2.626) 10.943 17.133 ( -4.762 -4.984 -5.370) 8.738 17.831 ( -2.955 -1.847 0.464) 3.516 18.004 ( 3.255 2.157 -6.229) 7.352 20.777 ( -2.746 -2.418 6.119) 7.130 21.039 ( 2.832 0.724 -4.714) 5.547 21.396 ( -0.334 -0.507 3.274) 3.330 21.572 ( -0.945 1.374 -0.799) 1.849 21.739 ( -0.621 4.314 2.656) 5.104 22.203 ( 8.032 -7.418 3.390) 11.447 22.790 ( -2.207 -0.378 -3.027) 3.765 23.077 ( 3.823 2.139 -0.619) 4.424 23.353 ( 0.508 1.239 -2.666) 2.984 23.477 ( -1.452 6.954 -1.071) 7.184 23.653 ( 0.524 2.733 1.557) 3.188 23.744 ( 2.587 3.359 1.839) 4.622 23.908 ( -0.372 -0.436 -0.374) 0.684 23.946 ( -6.297 -4.039 -3.737) 8.363 23.991 ( 0.299 -0.343 -0.652) 0.795 24.194 ( -4.337 -4.466 2.852) 6.847 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -4.751 16.229 17.804) 24.555 1.418 ( -7.521 18.162 14.231) 24.268 1.677 ( -13.404 19.067 15.352) 27.909 1.883 ( 4.326 14.218 4.410) 15.503 2.161 ( -0.000 3.998 -9.205) 10.036 2.223 ( 9.994 7.704 -9.507) 15.799 2.498 ( 2.134 11.708 -2.553) 12.171 2.552 ( -0.029 2.951 7.975) 8.504 2.822 ( 1.758 5.154 1.646) 5.689 2.862 ( 3.094 3.895 0.420) 4.992 2.915 ( -4.244 8.079 -2.605) 9.490 2.992 ( 3.665 -2.880 -0.447) 4.683 3.162 ( -2.093 1.223 0.685) 2.519 3.299 ( 0.738 -0.841 0.587) 1.264 3.354 ( -5.087 5.021 2.897) 7.713 3.575 ( 0.343 -4.430 0.373) 4.459 3.735 ( 0.296 2.388 -8.217) 8.562 3.890 ( 3.688 -5.536 -5.738) 8.784 3.929 ( 2.597 3.272 -6.711) 7.905 4.008 ( 2.458 1.128 4.198) 4.993 4.118 ( -7.117 6.791 -2.622) 10.181 4.223 ( -6.740 -5.799 -0.077) 8.892 4.316 ( 9.574 1.847 7.575) 12.347 4.741 ( 3.068 -4.608 -2.556) 6.098 4.800 ( -0.963 2.610 3.204) 4.243 4.922 ( -1.675 -3.798 -2.533) 4.863 5.232 ( 0.122 0.218 -2.416) 2.429 5.278 ( 3.998 -0.057 5.214) 6.571 5.362 ( -7.035 1.281 -0.917) 7.209 5.443 ( 0.386 -4.460 2.986) 5.381 5.528 ( -1.609 -7.057 1.406) 7.373 5.589 ( -0.446 -2.899 0.580) 2.990 5.691 ( 2.392 -2.893 -1.204) 3.942 5.774 ( 1.866 3.551 -5.699) 6.969 5.981 ( -0.328 -1.014 -1.440) 1.792 6.110 ( -7.231 3.333 -3.448) 8.677 6.427 ( -4.494 -5.073 0.528) 6.798 6.558 ( 9.048 -1.195 -0.150) 9.128 6.651 ( -0.038 -0.189 -1.605) 1.616 6.936 ( 0.969 3.887 -1.179) 4.176 7.639 ( -1.331 -1.477 -1.987) 2.810 7.739 ( -1.106 -6.016 -0.108) 6.118 7.842 ( -0.367 -3.432 -3.768) 5.110 7.858 ( 1.825 -3.672 -1.073) 4.238 8.133 ( 1.602 4.215 -1.182) 4.661 8.154 ( -2.615 2.054 1.093) 3.500 8.303 ( 1.627 0.190 2.801) 3.245 8.531 ( -1.769 -0.988 0.335) 2.054 9.018 ( 6.335 -0.734 12.524) 14.054 9.311 ( 10.813 -2.014 -4.096) 11.737 9.508 ( 0.142 4.930 2.213) 5.406 9.635 ( -8.263 -6.205 5.918) 11.908 9.811 ( -8.296 -1.679 2.238) 8.755 10.290 ( 4.914 6.705 -2.963) 8.825 10.487 ( 2.773 1.925 -7.776) 8.477 10.650 ( -1.385 2.689 1.310) 3.296 10.849 ( 3.531 7.942 -3.712) 9.451 10.912 ( 3.523 0.705 -0.244) 3.601 11.072 ( 1.723 -2.757 -6.096) 6.908 11.392 ( -9.413 -2.384 -0.497) 9.723 11.514 ( 0.114 -3.690 11.604) 12.178 11.792 ( 2.135 -3.046 -3.629) 5.197 11.947 ( -2.579 -0.182 2.958) 3.929 12.042 ( 1.071 -2.126 -1.018) 2.590 12.280 ( 7.305 4.749 0.987) 8.769 12.381 ( 2.434 0.307 5.146) 5.701 12.578 ( -8.796 -3.538 3.985) 10.284 12.995 ( 2.098 -14.925 0.593) 15.083 13.113 ( 4.308 -5.485 -0.551) 6.996 13.289 ( 9.607 0.552 5.715) 11.192 13.549 ( 3.359 1.141 -1.505) 3.853 13.589 ( 6.224 4.135 -0.855) 7.521 13.908 ( -5.818 8.381 -4.711) 11.238 14.246 ( -4.901 -3.245 -0.758) 5.927 14.710 ( 9.643 4.305 3.535) 11.137 15.296 ( 3.474 8.979 -2.148) 9.864 16.556 ( -10.885 -9.576 0.734) 14.517 17.134 ( -14.866 -6.330 -5.941) 17.215 17.801 ( -5.475 1.105 -4.063) 6.907 17.944 ( 3.193 3.109 -6.996) 8.295 20.873 ( -1.794 -5.469 7.289) 9.288 21.020 ( 2.907 1.103 -4.980) 5.871 21.465 ( 1.217 -4.469 5.281) 7.025 21.512 ( -2.065 1.755 0.153) 2.714 21.705 ( 0.131 2.263 6.308) 6.703 22.439 ( 0.707 -11.561 -3.271) 12.036 22.765 ( 2.294 1.424 -1.053) 2.898 23.084 ( 14.172 4.344 -0.279) 14.825 23.283 ( -1.847 9.811 -2.060) 10.194 23.329 ( 5.202 2.211 -0.495) 5.675 23.618 ( 2.508 4.302 4.688) 6.839 23.728 ( 1.124 1.673 2.851) 3.492 23.852 ( -12.156 1.388 -7.566) 14.386 23.912 ( -2.559 -0.847 -2.097) 3.415 23.997 ( -0.925 -1.045 -1.260) 1.880 24.264 ( -8.602 -6.134 3.446) 11.112 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.947 26.112 12.053) 28.775 1.186 ( -11.478 8.731 23.630) 27.682 1.456 ( -3.982 10.096 32.910) 34.653 1.682 ( 3.933 14.147 6.801) 16.182 2.025 ( -1.110 7.098 -9.601) 11.991 2.098 ( 9.083 4.247 -9.836) 14.045 2.283 ( 3.447 9.529 -3.646) 10.770 2.481 ( -6.308 5.515 9.548) 12.703 2.652 ( 0.533 7.554 -5.847) 9.568 2.753 ( -2.802 5.565 8.844) 10.818 2.925 ( 2.394 -1.922 5.489) 6.289 3.070 ( -6.200 -2.737 -9.333) 11.534 3.137 ( 0.819 0.143 -0.663) 1.063 3.297 ( 2.791 0.328 -2.897) 4.036 3.314 ( 1.272 -0.280 4.274) 4.468 3.621 ( 6.650 2.977 -3.627) 8.139 3.706 ( -2.245 -5.689 -2.792) 6.723 3.814 ( -4.254 -0.028 -9.057) 10.006 3.927 ( 4.772 1.842 -6.577) 8.332 4.003 ( 0.937 4.646 1.238) 4.898 4.107 ( 0.316 -5.668 3.276) 6.554 4.240 ( -10.667 -4.769 -2.753) 12.005 4.378 ( 6.338 2.366 4.687) 8.230 4.745 ( -0.315 3.346 3.196) 4.638 4.871 ( 4.212 -6.268 -4.058) 8.573 4.905 ( -4.765 0.950 -1.006) 4.962 5.164 ( -6.377 2.145 0.774) 6.772 5.249 ( -1.001 3.466 0.478) 3.639 5.416 ( 9.491 -2.521 -0.984) 9.869 5.556 ( 0.133 -2.676 2.661) 3.776 5.651 ( -0.512 -5.791 -1.461) 5.994 5.659 ( -5.834 -3.718 0.534) 6.938 5.699 ( 3.000 0.523 -2.946) 4.237 5.776 ( -0.564 -5.374 -1.025) 5.500 5.985 ( -4.868 0.890 2.527) 5.557 6.091 ( 5.209 -8.031 3.186) 10.088 6.411 ( -9.326 -0.901 2.928) 9.816 6.573 ( 7.457 4.993 -7.068) 11.424 6.703 ( 9.983 1.871 0.125) 10.158 6.838 ( -0.004 5.081 -2.077) 5.489 7.636 ( -2.000 -1.177 -0.800) 2.455 7.794 ( -4.337 -0.781 -0.079) 4.407 7.836 ( 1.790 1.227 -6.650) 6.995 7.910 ( 1.805 -2.292 -4.853) 5.663 8.040 ( 2.435 4.256 2.380) 5.451 8.131 ( -1.480 0.707 1.170) 2.015 8.332 ( 2.199 0.342 2.795) 3.573 8.487 ( -3.816 2.082 -0.735) 4.408 9.205 ( 6.291 -5.391 11.929) 14.524 9.445 ( 3.461 -1.373 1.061) 3.872 9.504 ( 9.273 -3.408 0.986) 9.929 9.708 ( -4.465 -2.745 5.122) 7.328 9.770 ( -12.375 -3.321 1.349) 12.884 10.180 ( 7.068 9.188 -6.119) 13.108 10.421 ( -3.157 1.850 -0.283) 3.670 10.611 ( 0.475 1.833 0.164) 1.900 10.759 ( 4.787 2.978 -2.563) 6.193 10.894 ( 3.363 1.520 -5.851) 6.918 11.105 ( 2.396 -1.091 -1.741) 3.157 11.338 ( -7.749 -0.933 -2.681) 8.252 11.682 ( -2.700 -8.171 6.341) 10.690 11.841 ( -7.475 -3.243 -1.715) 8.327 11.912 ( -1.152 0.387 2.002) 2.342 12.062 ( 2.958 0.864 -3.240) 4.471 12.318 ( 4.082 0.885 8.401) 9.382 12.448 ( 2.086 -1.712 5.341) 5.984 12.607 ( -5.058 -4.259 2.001) 6.908 13.049 ( 1.846 2.560 -14.274) 14.619 13.316 ( 1.872 -4.634 2.727) 5.693 13.477 ( 3.596 -3.162 4.668) 6.687 13.508 ( 1.673 4.521 -1.962) 5.204 13.652 ( 21.161 1.467 6.542) 22.198 13.741 ( 3.354 -4.585 2.473) 6.195 14.296 ( -3.613 -6.862 -2.345) 8.101 14.717 ( 8.591 5.814 6.603) 12.297 15.107 ( 4.215 12.654 -4.112) 13.957 16.641 ( -12.913 -10.118 -1.039) 16.438 16.996 ( -24.821 0.240 -10.957) 27.133 17.643 ( -8.717 6.538 1.222) 10.964 17.883 ( 3.998 2.225 -7.438) 8.733 20.968 ( -3.561 -2.742 2.026) 4.930 21.004 ( 4.414 0.976 -4.507) 6.383 21.527 ( -0.747 -3.848 4.642) 6.076 21.657 ( 3.864 -10.018 4.998) 11.843 21.710 ( 0.419 1.719 8.601) 8.781 22.517 ( -12.074 -6.527 -13.575) 19.305 22.777 ( 2.516 -0.214 0.788) 2.645 23.040 ( -2.860 5.875 -5.388) 8.469 23.166 ( 10.201 5.986 -3.984) 12.481 23.334 ( 4.198 9.328 -5.153) 11.453 23.600 ( 5.740 1.032 10.843) 12.312 23.682 ( 0.777 -0.459 3.281) 3.403 23.747 ( 0.732 0.893 4.103) 4.263 23.893 ( -1.755 -0.278 -2.870) 3.376 24.005 ( 1.491 -0.895 -0.863) 1.941 24.287 ( -11.834 -3.505 2.316) 12.557 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -7.961 0.000 1.946) 8.195 1.262 ( 11.816 -0.000 15.059) 19.141 1.282 ( 3.763 -0.000 5.615) 6.759 1.823 ( -6.529 0.000 -2.019) 6.834 2.120 ( 4.038 -0.000 -21.232) 21.613 2.127 ( -6.005 0.000 12.300) 13.688 2.235 ( 10.096 -0.000 9.951) 14.176 2.494 ( 0.237 -0.000 -20.073) 20.074 2.555 ( 11.762 -0.000 16.850) 20.549 2.613 ( 4.412 -0.000 1.170) 4.564 2.804 ( -6.870 0.000 9.905) 12.055 3.118 ( -1.041 0.000 -11.104) 11.153 3.124 ( 3.685 -0.000 10.818) 11.428 3.148 ( -6.013 0.000 -6.466) 8.830 3.437 ( -2.635 0.000 2.558) 3.672 3.598 ( -3.674 0.000 -7.549) 8.396 3.675 ( -2.257 0.000 0.117) 2.260 3.773 ( 4.270 -0.000 -2.898) 5.161 3.789 ( -4.843 0.000 -2.652) 5.522 3.959 ( 2.993 -0.000 -4.415) 5.334 4.181 ( 1.958 -0.000 10.313) 10.497 4.237 ( 3.562 -0.000 4.333) 5.609 4.480 ( -13.725 0.000 -10.824) 17.480 4.593 ( 2.361 -0.000 8.505) 8.827 4.895 ( 4.628 -0.000 -1.588) 4.892 4.932 ( -0.666 0.000 -4.087) 4.141 5.051 ( 2.329 -0.000 3.894) 4.537 5.249 ( -3.673 0.000 -0.089) 3.674 5.462 ( -4.741 0.000 -4.489) 6.529 5.500 ( -2.100 0.000 -0.074) 2.101 5.602 ( -1.137 0.000 0.626) 1.298 5.647 ( 5.769 -0.000 1.334) 5.921 5.888 ( 6.300 -0.000 1.831) 6.561 5.967 ( 7.216 -0.000 -4.369) 8.435 5.979 ( -4.893 0.000 9.713) 10.876 6.233 ( -6.840 0.000 8.051) 10.564 6.276 ( -3.271 0.000 -11.922) 12.363 6.526 ( -3.881 0.000 6.500) 7.571 6.658 ( 0.589 -0.000 -7.270) 7.294 6.991 ( 15.636 -0.000 -11.947) 19.678 7.608 ( -1.190 0.000 3.129) 3.348 7.718 ( 0.697 -0.000 -4.242) 4.298 7.752 ( -0.509 0.000 2.315) 2.370 7.956 ( 5.191 -0.000 -5.913) 7.868 8.069 ( -1.574 0.000 -2.281) 2.772 8.129 ( 1.832 -0.000 2.041) 2.743 8.347 ( -4.226 0.000 -0.192) 4.231 8.440 ( 2.750 -0.000 3.810) 4.699 9.260 ( -24.649 0.000 5.001) 25.151 9.338 ( -9.393 0.000 1.554) 9.520 9.566 ( 1.157 -0.000 -0.447) 1.240 9.812 ( 0.392 -0.000 8.964) 8.973 9.864 ( 8.629 -0.000 4.088) 9.549 10.028 ( 1.489 -0.000 -9.888) 10.000 10.519 ( 6.724 -0.000 3.399) 7.534 10.608 ( 3.260 -0.000 -3.242) 4.598 10.752 ( -3.430 0.000 -9.971) 10.545 10.807 ( 1.893 -0.000 -2.154) 2.867 11.114 ( -7.316 0.000 -1.362) 7.442 11.236 ( 4.809 -0.000 5.530) 7.329 11.531 ( -11.178 0.000 9.263) 14.518 11.827 ( -1.046 0.000 6.306) 6.393 11.889 ( -3.250 0.000 3.221) 4.576 12.024 ( -1.426 0.000 -3.765) 4.026 12.478 ( 4.672 -0.000 8.275) 9.503 12.583 ( -2.072 0.000 0.900) 2.259 12.677 ( 5.801 -0.000 2.818) 6.449 12.941 ( 9.523 -0.000 -14.591) 17.424 13.172 ( -13.575 0.000 1.121) 13.622 13.506 ( 0.879 -0.000 -0.261) 0.917 13.602 ( 4.644 -0.000 1.066) 4.765 13.647 ( 2.459 -0.000 -7.367) 7.767 14.088 ( -15.626 0.000 -9.344) 18.206 14.237 ( -3.498 0.000 4.182) 5.452 14.745 ( -9.040 0.000 -3.445) 9.674 14.868 ( -13.711 0.000 2.731) 13.980 16.544 ( 20.078 -0.000 2.942) 20.293 17.092 ( 22.377 -0.000 0.903) 22.395 17.529 ( -3.885 0.000 8.772) 9.594 17.887 ( 6.584 -0.000 -6.556) 9.292 20.878 ( -4.190 0.000 -0.062) 4.190 21.059 ( 5.194 -0.000 -2.006) 5.568 21.652 ( -2.313 0.000 4.444) 5.010 21.733 ( -2.493 0.000 -2.559) 3.573 22.053 ( -9.381 0.000 -9.295) 13.206 22.091 ( 8.514 -0.000 15.756) 17.909 22.664 ( -9.351 0.000 3.217) 9.889 22.898 ( 4.234 -0.000 2.458) 4.896 22.951 ( -4.733 0.000 5.351) 7.144 23.169 ( -5.287 0.000 -5.409) 7.564 23.748 ( 1.767 -0.000 6.098) 6.349 23.786 ( -1.485 0.000 -3.436) 3.743 23.812 ( 0.311 -0.000 -0.547) 0.629 23.866 ( -0.866 0.000 -3.776) 3.874 23.980 ( -6.990 0.000 -3.390) 7.769 24.626 ( 24.575 -0.000 -6.005) 25.298 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -5.494 -18.091 -12.808) 22.836 1.389 ( 9.730 -3.679 15.700) 18.834 1.613 ( 8.210 -11.931 12.227) 18.954 1.861 ( -6.612 -10.873 -3.219) 13.126 2.062 ( -3.775 -6.520 -20.030) 21.401 2.243 ( -2.279 -9.262 11.523) 14.959 2.346 ( 4.116 -4.204 -3.284) 6.738 2.507 ( 8.210 -5.689 -12.538) 16.031 2.677 ( 4.958 -2.184 6.699) 8.616 2.779 ( -4.520 -1.804 6.050) 7.764 2.863 ( -0.610 -5.867 8.968) 10.734 3.042 ( -4.413 -0.903 -7.953) 9.140 3.049 ( -3.263 0.487 -8.339) 8.968 3.244 ( 10.457 -1.407 10.031) 14.559 3.362 ( -5.076 2.162 3.041) 6.300 3.575 ( -0.535 0.190 -4.000) 4.040 3.624 ( -3.979 6.852 0.003) 7.923 3.676 ( 3.832 1.049 3.407) 5.233 3.827 ( -1.899 -3.295 -0.689) 3.865 4.010 ( 1.678 -3.631 -6.526) 7.654 4.173 ( -4.507 2.228 -3.016) 5.862 4.267 ( 6.787 1.766 10.039) 12.246 4.391 ( -7.040 -3.035 -4.598) 8.939 4.643 ( -0.787 1.173 2.945) 3.267 4.858 ( 6.268 1.402 -0.541) 6.445 5.011 ( 4.143 -4.040 -1.542) 5.988 5.116 ( 1.046 -2.650 1.765) 3.351 5.191 ( -7.108 0.721 -0.047) 7.145 5.375 ( -7.924 1.862 -2.439) 8.498 5.479 ( -1.871 2.269 5.494) 6.231 5.573 ( -0.971 1.033 0.655) 1.562 5.677 ( 1.325 5.920 -1.023) 6.153 5.823 ( 3.048 3.975 -0.888) 5.087 5.929 ( 7.790 5.132 -1.723) 9.487 6.029 ( 0.862 2.868 0.373) 3.018 6.080 ( -2.860 4.368 -0.001) 5.221 6.285 ( -0.531 -0.032 1.831) 1.906 6.506 ( -2.194 -1.750 0.898) 2.947 6.702 ( -2.577 -4.852 -3.517) 6.523 7.029 ( 10.067 2.313 -7.927) 13.020 7.607 ( -0.337 2.100 4.531) 5.006 7.729 ( 1.737 -1.679 0.507) 2.468 7.805 ( 1.369 -2.868 -1.462) 3.498 7.928 ( 3.658 3.914 -3.775) 6.554 8.061 ( -0.681 -1.081 -2.098) 2.457 8.155 ( -1.048 -0.959 1.106) 1.800 8.328 ( -3.604 -1.921 -0.607) 4.129 8.493 ( 1.959 -1.150 3.036) 3.792 8.992 ( -20.512 5.405 5.116) 21.820 9.326 ( -9.524 -2.682 0.038) 9.895 9.531 ( 0.021 0.783 -3.240) 3.333 9.847 ( -1.126 1.293 8.585) 8.754 9.936 ( 9.314 3.096 4.536) 10.812 10.053 ( 0.999 -6.470 -10.729) 12.568 10.590 ( 4.793 -0.366 -1.300) 4.979 10.649 ( 4.634 -2.671 -0.785) 5.406 10.682 ( -4.120 -1.361 -8.238) 9.311 10.844 ( 0.242 -4.002 -1.566) 4.304 11.036 ( -6.308 1.330 -0.289) 6.453 11.296 ( 4.612 1.378 7.070) 8.553 11.518 ( -3.769 -1.088 7.822) 8.751 11.846 ( -3.499 2.128 4.230) 5.888 11.912 ( -1.584 -3.402 6.167) 7.219 11.994 ( -3.730 -2.025 -4.443) 6.144 12.403 ( 2.739 11.820 -1.325) 12.205 12.543 ( -2.246 2.729 0.802) 3.624 12.752 ( 4.986 0.676 4.413) 6.693 12.890 ( 5.011 4.349 -6.444) 9.250 13.215 ( -4.791 -10.649 -1.686) 11.798 13.445 ( -2.839 4.704 2.828) 6.179 13.613 ( 2.414 1.359 -5.934) 6.549 13.718 ( -0.152 -3.248 -7.845) 8.492 13.738 ( -8.145 11.414 -3.047) 14.349 14.206 ( -3.093 1.238 4.045) 5.240 14.613 ( -13.022 -1.974 0.412) 13.177 14.977 ( -12.934 -15.046 0.206) 19.842 16.669 ( 21.400 7.420 1.360) 22.691 17.253 ( 18.475 4.090 3.363) 19.219 17.592 ( -1.889 -3.871 6.971) 8.195 17.928 ( 6.486 -1.752 -5.864) 8.918 20.848 ( -4.095 -0.047 1.294) 4.295 21.099 ( 4.799 -0.481 -2.557) 5.459 21.578 ( -2.673 6.049 2.397) 7.034 21.640 ( -1.204 4.654 -1.017) 4.913 21.930 ( -5.534 0.846 -7.643) 9.474 22.259 ( 8.926 0.569 16.027) 18.354 22.720 ( -5.976 -8.530 1.972) 10.600 22.798 ( -8.664 3.975 -0.270) 9.536 23.098 ( 1.017 -8.040 2.200) 8.398 23.149 ( -8.286 -7.307 -2.679) 11.367 23.755 ( -1.446 0.219 -2.966) 3.307 23.785 ( 0.417 0.352 -2.107) 2.177 23.809 ( 1.972 -0.152 3.538) 4.053 23.848 ( 0.235 -1.199 -3.696) 3.893 23.948 ( -0.219 -0.170 1.689) 1.712 24.680 ( 17.940 9.164 -5.852) 20.978 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.646 -18.058 -1.255) 18.176 1.673 ( 7.422 -7.875 11.316) 15.658 1.890 ( 2.260 -6.150 6.680) 9.357 2.031 ( -3.465 -13.203 -5.247) 14.624 2.081 ( -4.961 -9.218 -18.077) 20.889 2.453 ( 4.518 -6.735 -10.051) 12.915 2.480 ( 2.661 -6.627 4.035) 8.202 2.669 ( 2.434 -10.926 0.294) 11.198 2.721 ( -9.937 -0.184 1.138) 10.004 2.821 ( 3.912 -2.715 7.560) 8.935 2.860 ( -5.334 -0.499 -7.588) 9.289 3.004 ( -3.718 -3.457 2.074) 5.484 3.035 ( -3.770 -2.028 -8.803) 9.789 3.317 ( -5.286 0.030 1.592) 5.520 3.385 ( 1.914 6.273 2.763) 7.117 3.500 ( 1.979 0.251 13.169) 13.319 3.653 ( 6.920 -5.642 3.592) 9.624 3.713 ( 4.427 -0.359 -3.390) 5.588 3.873 ( -2.951 -3.764 -0.712) 4.836 4.031 ( 2.236 -4.055 -2.364) 5.199 4.194 ( 3.313 -3.120 -0.653) 4.597 4.321 ( -2.591 -0.648 -0.928) 2.828 4.380 ( 1.444 -1.712 1.426) 2.655 4.578 ( 0.307 3.046 -3.519) 4.665 4.893 ( 0.723 2.027 -1.899) 2.870 5.029 ( 5.958 7.813 2.468) 10.130 5.112 ( -6.699 0.415 2.921) 7.320 5.204 ( -2.921 -4.281 0.160) 5.185 5.295 ( -7.105 -4.908 -1.050) 8.699 5.464 ( 0.669 1.832 7.115) 7.378 5.505 ( 1.832 7.392 -1.817) 7.829 5.591 ( -0.642 -1.453 3.724) 4.049 5.737 ( 0.552 9.478 -6.590) 11.557 5.839 ( 2.567 0.610 -3.746) 4.582 6.026 ( 2.390 3.180 -1.353) 4.202 6.082 ( 4.190 -2.344 5.434) 7.252 6.260 ( -1.619 2.826 2.756) 4.266 6.520 ( -1.254 -0.756 -1.767) 2.295 6.742 ( -2.233 -2.708 -1.266) 3.732 7.003 ( 6.526 4.124 -2.648) 8.161 7.558 ( -0.869 4.459 3.264) 5.594 7.776 ( 1.774 1.226 2.582) 3.364 7.831 ( 2.220 -0.496 -3.324) 4.027 7.856 ( 3.242 5.066 -1.761) 6.267 8.042 ( -2.178 2.890 1.710) 4.002 8.180 ( -2.220 -4.780 -1.312) 5.432 8.329 ( -2.823 -0.229 0.673) 2.911 8.521 ( -1.546 1.400 2.437) 3.207 8.850 ( -13.396 -4.615 5.320) 15.135 9.245 ( -4.797 2.752 -4.755) 7.293 9.560 ( -1.551 -5.442 -2.856) 6.339 9.826 ( -2.285 3.275 4.725) 6.187 9.941 ( 9.981 7.094 4.424) 13.020 10.176 ( 3.211 -10.257 -9.556) 14.381 10.598 ( 4.893 0.904 -6.069) 7.848 10.644 ( -6.810 -2.913 -3.541) 8.209 10.781 ( 6.973 -4.898 2.061) 8.767 10.919 ( -0.697 -4.566 -2.363) 5.188 10.970 ( -4.518 0.198 -1.135) 4.663 11.339 ( 2.747 1.437 7.145) 7.788 11.581 ( 0.184 -2.121 5.858) 6.233 11.746 ( -3.319 5.757 1.951) 6.925 11.962 ( -1.830 -1.132 -0.403) 2.189 12.018 ( -11.764 -6.185 2.578) 13.539 12.203 ( 7.625 9.517 -3.527) 12.695 12.473 ( -2.389 2.086 -0.581) 3.225 12.728 ( -1.959 5.141 4.958) 7.407 12.841 ( 7.475 3.723 -4.522) 9.496 13.238 ( -9.662 12.406 -7.473) 17.410 13.344 ( 0.146 -2.861 -4.422) 5.268 13.439 ( 1.995 3.076 7.631) 8.467 13.597 ( -0.792 -1.292 -5.461) 5.668 13.910 ( 5.616 -7.940 0.280) 9.730 14.196 ( -3.873 -0.775 3.088) 5.013 14.581 ( -10.229 -4.614 0.220) 11.224 15.141 ( -12.349 -13.188 0.945) 18.092 16.664 ( 16.949 11.084 2.961) 20.467 17.272 ( 11.472 8.213 1.006) 14.145 17.682 ( -2.060 -3.552 5.806) 7.112 17.989 ( 5.543 -2.019 -5.197) 7.862 20.816 ( -4.354 0.946 2.731) 5.226 21.113 ( 3.812 0.973 -4.801) 6.207 21.466 ( -1.589 4.425 1.795) 5.032 21.569 ( 0.222 1.623 -0.803) 1.824 21.862 ( -1.711 -0.540 -5.093) 5.400 22.304 ( 4.883 9.986 9.775) 14.802 22.681 ( -10.366 -4.330 -3.622) 11.804 22.861 ( -3.916 -8.589 2.687) 9.815 23.225 ( -4.597 -7.030 -0.835) 8.441 23.277 ( 0.190 -9.305 1.052) 9.366 23.723 ( -1.681 -0.151 -3.256) 3.668 23.773 ( 0.184 0.189 -1.274) 1.301 23.833 ( 0.364 -0.425 2.239) 2.308 23.888 ( 1.981 -1.988 -0.362) 2.829 23.976 ( 2.591 0.222 3.136) 4.074 24.561 ( 11.857 13.450 -4.033) 18.378 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.598 1.784 9.544) 9.840 1.896 ( 0.242 -5.568 8.448) 10.121 1.989 ( 1.316 -9.305 -0.001) 9.397 2.124 ( -5.025 -8.063 -9.166) 13.201 2.217 ( 0.769 -9.462 -5.213) 10.830 2.465 ( -1.487 2.693 -9.732) 10.207 2.568 ( 6.672 -1.570 -5.339) 8.688 2.690 ( -4.233 -4.314 -1.087) 6.140 2.770 ( -1.330 -0.599 -4.789) 5.006 2.857 ( 1.302 0.478 2.413) 2.783 2.908 ( -1.786 0.176 -1.555) 2.375 3.029 ( -4.258 -7.981 2.745) 9.453 3.139 ( -2.426 -9.382 5.823) 11.306 3.248 ( -3.349 1.247 -3.267) 4.842 3.319 ( 2.960 2.775 5.377) 6.736 3.553 ( 1.020 1.053 5.263) 5.463 3.743 ( 0.480 -3.436 -5.848) 6.800 3.913 ( 7.350 -9.004 7.274) 13.712 3.921 ( -3.304 -4.353 0.663) 5.505 4.093 ( 1.999 0.600 -4.600) 5.052 4.187 ( -0.251 7.674 -0.635) 7.704 4.351 ( -0.295 -8.106 -1.476) 8.245 4.457 ( -3.238 1.397 4.553) 5.759 4.552 ( 9.715 -2.148 -5.250) 11.249 4.771 ( -3.815 3.578 -6.119) 8.049 4.947 ( 1.289 3.938 1.557) 4.427 5.073 ( -7.529 -0.276 3.145) 8.164 5.224 ( 2.776 0.827 3.984) 4.926 5.360 ( -3.355 -0.448 4.739) 5.824 5.407 ( 0.845 1.368 0.446) 1.669 5.552 ( 3.980 -3.630 0.200) 5.390 5.592 ( 1.664 3.070 -1.112) 3.665 5.631 ( -1.443 -0.708 2.622) 3.076 5.773 ( -0.938 4.817 -3.564) 6.065 5.980 ( 3.640 2.305 -4.528) 6.250 6.184 ( 0.530 -1.234 2.190) 2.569 6.228 ( -2.526 -2.077 5.639) 6.519 6.499 ( 1.064 1.501 -2.083) 2.779 6.732 ( -2.357 1.104 -1.734) 3.128 6.982 ( 4.348 2.060 -0.684) 4.860 7.502 ( -0.782 1.117 1.391) 1.948 7.720 ( 0.785 3.847 -1.552) 4.222 7.761 ( 3.229 6.537 0.151) 7.292 7.865 ( 0.488 -0.054 -0.197) 0.529 7.966 ( -0.158 2.387 1.041) 2.609 8.227 ( -4.380 -1.963 -0.050) 4.800 8.350 ( -0.093 -4.133 1.516) 4.403 8.435 ( -6.280 4.152 3.514) 8.308 8.964 ( -3.027 -7.798 7.572) 11.283 9.145 ( -0.304 1.260 -5.638) 5.785 9.606 ( -6.658 -3.812 -3.652) 8.497 9.750 ( -0.592 4.931 3.066) 5.836 9.907 ( 9.118 6.842 2.035) 11.580 10.361 ( 4.120 -10.297 -9.073) 14.329 10.567 ( -1.243 2.255 -1.840) 3.165 10.648 ( 0.200 -3.246 -4.645) 5.670 10.925 ( 3.776 0.483 5.722) 6.873 10.940 ( -5.175 -2.182 -2.921) 6.330 10.988 ( 5.991 -5.794 -6.079) 10.316 11.361 ( -0.406 1.310 7.198) 7.327 11.550 ( -2.941 5.499 2.447) 6.699 11.711 ( 0.472 -1.839 0.430) 1.947 11.915 ( -1.449 2.074 -6.241) 6.735 12.006 ( -7.286 -1.170 6.778) 10.019 12.200 ( 2.012 -2.398 1.487) 3.465 12.449 ( -1.949 -2.374 0.072) 3.072 12.623 ( -2.483 6.015 3.572) 7.423 12.768 ( -1.876 6.942 -1.832) 7.421 12.980 ( 1.117 3.539 -7.432) 8.307 13.310 ( 6.284 4.475 -4.607) 8.985 13.505 ( 3.317 -1.095 5.074) 6.160 13.617 ( 1.276 -2.447 -1.944) 3.376 14.064 ( 0.534 -4.584 0.067) 4.615 14.187 ( -6.577 -1.226 2.557) 7.163 14.623 ( -2.224 -5.088 1.775) 5.830 15.262 ( -12.115 -10.355 0.661) 15.952 16.594 ( 12.090 11.184 4.226) 17.003 17.183 ( 5.606 7.471 -3.353) 9.924 17.747 ( -3.265 -2.603 5.615) 6.997 18.031 ( 4.415 -0.783 -5.266) 6.916 20.771 ( -3.996 1.348 3.358) 5.391 21.086 ( 3.233 1.746 -5.444) 6.569 21.411 ( -1.062 1.445 1.769) 2.519 21.568 ( 0.556 -0.656 0.399) 0.948 21.852 ( 0.254 -0.949 -4.862) 4.960 22.147 ( -3.194 7.202 1.504) 8.021 22.719 ( -1.255 -3.855 1.356) 4.275 22.994 ( -0.939 -6.052 2.727) 6.704 23.297 ( -1.978 -4.442 -0.780) 4.924 23.460 ( 1.041 -7.943 1.436) 8.138 23.696 ( -1.775 0.101 -2.104) 2.755 23.765 ( -1.114 -0.606 -1.065) 1.656 23.863 ( -0.554 -1.279 1.912) 2.366 23.927 ( 0.828 -0.754 -0.003) 1.120 23.996 ( 2.783 1.766 1.995) 3.852 24.364 ( 5.673 12.834 -2.671) 14.283 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -10.927 7.074 13.986) 19.106 1.936 ( 3.009 6.827 7.021) 10.244 2.135 ( -3.685 0.286 1.431) 3.964 2.166 ( 1.255 -1.772 -4.597) 5.084 2.324 ( 0.671 -0.165 -6.074) 6.114 2.350 ( 4.546 -0.321 -0.354) 4.571 2.611 ( 7.068 2.015 -4.073) 8.403 2.719 ( -0.231 -4.207 -5.071) 6.593 2.744 ( -3.378 3.907 -1.556) 5.394 2.860 ( 1.926 -0.616 4.257) 4.713 2.886 ( -1.038 -5.223 -5.975) 8.003 3.142 ( -1.410 -4.483 1.911) 5.074 3.246 ( -0.161 0.261 3.927) 3.939 3.269 ( -0.939 -2.049 4.839) 5.338 3.372 ( 5.033 -2.800 -2.388) 6.235 3.552 ( -0.390 1.650 3.626) 4.003 3.763 ( -1.308 -2.103 -6.819) 7.255 3.905 ( -3.944 3.456 -4.671) 7.023 4.013 ( -6.234 -0.664 -1.276) 6.398 4.056 ( -0.377 3.986 -0.679) 4.061 4.159 ( 7.030 -2.382 6.179) 9.658 4.311 ( -5.469 5.869 -2.060) 8.282 4.434 ( 0.307 1.414 3.190) 3.503 4.643 ( 1.877 0.207 2.753) 3.338 4.767 ( 5.624 -6.217 -11.007) 13.836 4.891 ( 0.492 3.848 5.018) 6.343 5.094 ( -1.448 -4.667 0.487) 4.911 5.262 ( 2.167 -0.753 2.943) 3.731 5.320 ( -0.600 1.582 1.764) 2.445 5.439 ( -4.323 -0.621 4.187) 6.050 5.527 ( 2.832 4.241 -2.608) 5.728 5.566 ( -0.848 3.762 4.658) 6.048 5.681 ( -1.017 -2.487 1.611) 3.133 5.732 ( 3.050 -3.050 -2.997) 5.253 5.934 ( -0.448 1.140 -6.643) 6.755 6.192 ( -2.602 -2.277 -1.741) 3.871 6.311 ( 0.698 -0.961 5.186) 5.320 6.474 ( 2.218 0.901 0.263) 2.408 6.662 ( -3.054 1.293 -3.836) 5.071 6.972 ( 0.060 0.399 -3.167) 3.192 7.516 ( 0.480 -2.214 0.065) 2.266 7.665 ( 1.225 2.612 -0.024) 2.885 7.716 ( 2.118 -0.461 -1.695) 2.751 7.825 ( -0.760 2.523 2.040) 3.332 8.009 ( 3.386 -4.086 0.024) 5.307 8.246 ( -2.424 -2.806 2.825) 4.662 8.310 ( -5.865 3.543 1.229) 6.962 8.447 ( -0.218 -3.373 1.370) 3.647 9.066 ( 3.811 1.288 9.083) 9.934 9.185 ( 0.752 -6.254 -1.245) 6.421 9.539 ( -8.464 1.451 -2.603) 8.973 9.702 ( 0.313 2.278 3.846) 4.481 9.852 ( 3.512 5.329 -1.173) 6.489 10.459 ( 0.357 1.193 0.185) 1.259 10.519 ( 0.499 -2.911 -12.413) 12.760 10.702 ( 3.526 -2.154 -3.590) 5.474 10.903 ( -3.285 -0.012 -0.963) 3.423 10.929 ( 0.678 0.675 -1.320) 1.630 11.098 ( 6.262 0.718 -0.449) 6.319 11.379 ( -0.841 1.439 8.884) 9.039 11.462 ( -1.598 0.807 -1.136) 2.121 11.756 ( -2.156 -4.592 -0.782) 5.132 11.858 ( 4.716 2.594 -2.529) 5.947 12.007 ( -4.143 -0.359 3.890) 5.694 12.278 ( -5.594 -5.933 2.922) 8.662 12.492 ( -0.405 3.066 -4.604) 5.546 12.551 ( -0.717 -3.512 5.333) 6.426 12.605 ( -4.398 4.249 3.330) 6.963 12.980 ( 4.436 -1.900 -4.597) 6.665 13.279 ( 6.518 1.289 -4.272) 7.899 13.580 ( 7.264 0.273 2.981) 7.856 13.664 ( 4.227 -0.313 -0.666) 4.290 14.084 ( -3.257 0.336 -1.718) 3.698 14.157 ( -9.192 -1.456 2.092) 9.539 14.737 ( 5.404 -3.452 3.255) 7.191 15.322 ( -11.638 -6.690 -1.134) 13.471 16.512 ( 5.737 8.063 5.630) 11.386 17.077 ( 1.493 3.813 -7.317) 8.384 17.783 ( -3.831 -1.514 4.265) 5.929 18.033 ( 3.686 1.104 -5.846) 6.999 20.754 ( -2.922 -0.694 5.079) 5.901 21.056 ( 2.826 1.156 -4.666) 5.576 21.405 ( -0.024 0.040 2.271) 2.271 21.578 ( -0.838 0.262 -0.399) 0.964 21.811 ( -0.624 2.943 -1.526) 3.373 22.089 ( -3.608 -4.739 -2.951) 6.647 22.786 ( 2.847 -0.878 3.222) 4.388 23.101 ( 3.694 -3.090 1.894) 5.175 23.350 ( 0.953 -1.764 0.454) 2.056 23.562 ( 1.751 0.315 0.587) 1.873 23.667 ( -2.539 -0.003 -0.159) 2.544 23.775 ( -1.928 -2.645 -1.508) 3.604 23.868 ( -1.972 1.702 1.292) 2.908 23.919 ( 1.050 1.486 -0.972) 2.062 23.997 ( 1.278 0.162 0.482) 1.376 24.185 ( -1.008 6.479 -1.526) 6.732 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -14.092 10.250 17.406) 24.629 1.798 ( -0.795 14.073 11.030) 17.898 1.976 ( -0.906 9.896 -4.903) 11.081 2.117 ( 1.849 7.253 5.465) 9.268 2.246 ( 4.332 6.890 -2.235) 8.440 2.447 ( 10.133 4.176 -0.432) 10.969 2.592 ( -3.741 1.493 2.568) 4.776 2.614 ( 5.573 2.346 -5.027) 7.863 2.815 ( 1.080 -5.960 -4.037) 7.279 2.905 ( -0.449 0.761 3.007) 3.135 2.960 ( 2.471 -1.199 -1.439) 3.100 3.161 ( 1.967 10.506 5.962) 12.239 3.226 ( -1.167 3.599 -0.052) 3.783 3.246 ( -1.488 -3.261 1.613) 3.931 3.406 ( -2.649 2.125 -3.690) 5.015 3.544 ( 0.589 0.319 2.483) 2.571 3.698 ( -4.646 1.299 -7.723) 9.106 3.811 ( 4.628 -0.630 -6.089) 7.674 3.940 ( -10.101 1.401 -5.190) 11.442 4.020 ( -0.901 -2.019 -3.199) 3.889 4.106 ( -3.443 5.566 5.361) 8.461 4.255 ( 1.299 4.329 0.558) 4.553 4.456 ( 5.690 -0.439 5.918) 8.222 4.676 ( 0.591 -1.232 2.168) 2.562 4.782 ( -0.374 -1.534 -6.152) 6.352 4.934 ( 7.501 1.451 -0.427) 7.652 5.168 ( -1.130 -4.601 1.553) 4.985 5.315 ( -1.534 -0.108 2.861) 3.248 5.327 ( 0.021 -2.374 2.004) 3.107 5.401 ( -3.986 0.008 2.509) 4.710 5.462 ( -3.925 1.388 2.696) 4.960 5.573 ( 3.147 -0.975 2.388) 4.070 5.687 ( 1.131 0.986 -1.437) 2.077 5.807 ( 4.328 -0.065 -3.866) 5.804 5.885 ( -3.605 -2.927 -4.703) 6.609 6.161 ( -0.673 4.608 -5.857) 7.483 6.316 ( -3.441 -2.187 2.514) 4.790 6.559 ( 6.143 -4.593 -1.110) 7.750 6.615 ( -2.789 -1.123 -0.371) 3.029 6.942 ( -1.711 -0.430 -4.717) 5.036 7.592 ( 2.399 -4.167 -1.180) 4.951 7.658 ( -1.000 -0.535 3.531) 3.709 7.751 ( -0.505 -3.090 -4.047) 5.117 7.822 ( 1.432 -1.619 0.617) 2.247 8.122 ( 0.606 -2.883 1.450) 3.284 8.194 ( -3.260 2.155 -0.604) 3.955 8.325 ( 2.459 -1.676 3.044) 4.257 8.486 ( -2.231 -1.767 -0.179) 2.851 9.154 ( 5.603 0.260 14.182) 15.251 9.307 ( 6.981 -4.528 -2.810) 8.783 9.439 ( -10.725 -1.368 0.626) 10.830 9.638 ( -3.096 5.755 0.687) 6.571 9.797 ( -0.649 1.117 3.337) 3.578 10.420 ( 3.620 4.283 -0.278) 5.615 10.480 ( 1.013 0.457 -11.473) 11.527 10.694 ( -0.970 2.056 -0.187) 2.281 10.898 ( -0.852 -0.691 -7.789) 7.866 10.941 ( 3.972 -1.756 -2.745) 5.138 11.077 ( 3.961 4.439 2.635) 6.507 11.321 ( -6.233 2.678 2.205) 7.133 11.513 ( 0.642 -2.277 6.307) 6.736 11.783 ( 1.272 -0.083 -3.542) 3.765 11.929 ( 3.918 -3.633 2.343) 5.835 11.981 ( -3.528 -0.929 -0.085) 3.649 12.335 ( -5.434 -3.082 0.490) 6.266 12.410 ( -1.148 1.354 2.362) 2.955 12.510 ( -1.380 1.277 1.609) 2.475 12.767 ( 1.357 -11.448 2.163) 11.729 13.054 ( 2.769 -4.222 1.039) 5.154 13.331 ( 4.344 -2.750 -0.745) 5.195 13.631 ( 5.837 2.168 0.610) 6.257 13.697 ( 7.775 1.091 -0.616) 7.875 13.997 ( -0.455 5.355 -2.976) 6.143 14.110 ( -11.013 -2.203 0.316) 11.236 14.852 ( 8.060 -0.005 4.791) 9.377 15.300 ( -9.130 -2.200 -4.399) 10.371 16.462 ( -2.165 2.648 7.808) 8.524 16.988 ( -0.405 1.299 -10.574) 10.661 17.775 ( -4.191 0.777 1.784) 4.621 17.994 ( 3.631 2.703 -6.540) 7.954 20.807 ( -2.432 -3.674 7.262) 8.494 21.042 ( 3.365 0.702 -4.174) 5.407 21.434 ( 0.627 -1.564 2.490) 3.007 21.530 ( -2.287 2.067 -1.674) 3.508 21.773 ( 0.575 1.252 4.714) 4.911 22.170 ( -6.000 -9.383 -7.074) 13.194 22.824 ( 2.596 1.415 3.946) 4.930 23.182 ( 5.889 0.019 -3.872) 7.048 23.401 ( 4.196 0.131 4.245) 5.970 23.485 ( 5.511 7.530 -0.059) 9.331 23.662 ( -1.573 -0.338 2.239) 2.757 23.785 ( -1.506 0.445 -1.645) 2.274 23.806 ( -3.260 1.838 0.949) 3.861 23.894 ( -0.293 1.598 -1.523) 2.227 23.987 ( 0.293 1.341 -1.318) 1.903 24.114 ( -6.170 -2.630 -0.152) 6.709 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -15.222 11.642 18.604) 26.709 1.509 ( 2.521 20.118 9.139) 22.240 1.798 ( 1.314 10.294 2.360) 10.643 2.024 ( 1.986 8.650 10.703) 13.904 2.123 ( 6.341 9.946 3.544) 12.316 2.339 ( 10.704 13.061 -3.859) 17.322 2.445 ( -2.924 7.291 -5.223) 9.433 2.694 ( 6.918 7.861 10.229) 14.639 2.769 ( -0.988 6.628 -7.115) 9.774 2.873 ( -2.628 7.065 2.075) 7.819 2.930 ( -0.551 -2.667 0.454) 2.761 2.988 ( -3.603 6.677 1.014) 7.654 3.154 ( 1.015 1.773 -1.798) 2.721 3.278 ( -3.009 -0.522 -4.668) 5.578 3.353 ( 1.673 -0.683 6.626) 6.868 3.575 ( -2.538 -2.749 -1.967) 4.227 3.636 ( 1.137 -1.514 -5.899) 6.196 3.740 ( -7.804 1.967 -9.591) 12.520 3.919 ( 3.784 -3.473 -3.692) 6.326 4.045 ( -1.018 -0.594 3.545) 3.736 4.056 ( -5.483 -3.223 -1.838) 6.621 4.154 ( 2.858 6.655 0.882) 7.296 4.534 ( 6.174 2.823 6.447) 9.363 4.733 ( -1.820 -5.264 -0.693) 5.612 4.827 ( 5.151 -1.421 -1.282) 5.495 4.861 ( -2.131 3.080 -9.057) 9.801 5.220 ( -7.341 7.545 7.082) 12.688 5.275 ( -0.519 -1.712 3.049) 3.535 5.403 ( 2.272 -7.600 5.837) 9.848 5.452 ( -2.624 -6.067 2.399) 7.032 5.529 ( 0.681 -5.535 0.436) 5.594 5.592 ( -1.540 0.213 -2.016) 2.546 5.701 ( 2.367 -2.016 -1.257) 3.353 5.793 ( 8.747 4.037 -9.156) 13.291 5.916 ( -2.701 -4.016 0.552) 4.871 6.022 ( -1.232 1.206 -2.914) 3.386 6.339 ( -6.688 -1.510 2.322) 7.239 6.592 ( 3.967 -0.987 -9.585) 10.420 6.743 ( 4.538 -4.897 5.265) 8.502 6.902 ( -1.013 1.441 -3.551) 3.964 7.622 ( -1.813 1.012 1.537) 2.584 7.728 ( -1.210 -4.135 1.479) 4.555 7.777 ( 0.215 -3.733 -5.291) 6.478 7.874 ( 2.713 -1.305 -3.206) 4.398 8.114 ( -3.728 -0.784 1.968) 4.288 8.167 ( 2.908 3.937 -0.002) 4.895 8.378 ( 2.946 0.128 3.347) 4.461 8.477 ( -3.512 0.240 -1.269) 3.742 9.245 ( -0.826 0.228 10.648) 10.682 9.403 ( -5.013 -3.609 -0.774) 6.225 9.489 ( 6.787 -6.241 1.487) 9.340 9.539 ( -3.692 -0.809 1.295) 3.995 9.798 ( -1.865 1.738 8.399) 8.777 10.326 ( 3.594 5.154 -13.407) 14.806 10.447 ( 2.546 2.193 3.123) 4.588 10.653 ( -0.395 1.704 -0.861) 1.949 10.843 ( 2.504 2.625 -4.641) 5.891 10.925 ( 3.626 3.327 -6.468) 8.127 11.103 ( 3.381 -1.220 1.475) 3.885 11.236 ( -8.305 0.002 -0.699) 8.335 11.575 ( -4.935 -2.115 7.606) 9.310 11.793 ( 3.135 -0.883 -3.544) 4.813 11.913 ( -4.031 1.107 3.645) 5.546 12.060 ( 2.359 -2.182 -2.608) 4.138 12.357 ( -1.229 -2.402 3.854) 4.704 12.437 ( -3.330 -3.853 2.924) 5.873 12.531 ( 1.543 -1.046 4.576) 4.941 12.932 ( 0.455 -6.037 -10.901) 12.469 13.227 ( 1.336 -8.123 8.561) 11.877 13.419 ( -0.378 -4.170 1.527) 4.457 13.599 ( 0.062 3.654 0.961) 3.779 13.730 ( 2.089 1.028 -3.080) 3.861 13.924 ( 15.381 4.325 1.247) 16.027 14.072 ( -11.326 -5.477 -3.539) 13.069 14.901 ( 1.577 3.696 7.575) 8.575 15.221 ( 0.200 2.251 -8.482) 8.778 16.442 ( -11.688 -0.873 9.928) 15.360 16.913 ( 5.533 1.830 -12.430) 13.728 17.695 ( -4.874 4.391 1.597) 6.752 17.934 ( 4.458 3.188 -6.892) 8.805 20.893 ( -3.908 -3.561 5.232) 7.438 21.044 ( 5.030 0.850 -3.623) 6.257 21.479 ( -0.667 -1.630 1.691) 2.442 21.524 ( -1.074 -5.167 1.814) 5.581 21.825 ( 4.358 -0.073 10.374) 11.253 22.218 ( -10.265 -7.345 -9.603) 15.860 22.822 ( 0.707 2.134 3.575) 4.223 23.102 ( -1.778 6.007 -7.953) 10.124 23.327 ( 3.527 7.308 0.132) 8.116 23.440 ( -7.033 8.043 -5.028) 11.808 23.713 ( 2.190 3.520 3.478) 5.412 23.767 ( 14.112 -4.527 4.649) 15.533 23.788 ( 0.945 0.452 3.523) 3.676 23.856 ( -2.354 -0.057 -2.718) 3.596 23.995 ( 2.672 -2.649 1.343) 3.995 24.124 ( -6.406 -3.995 -1.728) 7.745 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -4.154 0.000 -16.039) 16.568 1.455 ( -0.815 0.000 -1.857) 2.028 1.614 ( 14.363 -0.000 13.330) 19.596 1.650 ( -5.244 0.000 -13.434) 14.422 1.963 ( 5.346 -0.000 -5.594) 7.738 2.132 ( -11.217 0.000 15.399) 19.051 2.350 ( 6.304 -0.000 -5.835) 8.590 2.447 ( 8.636 -0.000 -11.908) 14.710 2.736 ( 8.076 -0.000 0.767) 8.112 2.795 ( -6.573 0.000 8.222) 10.526 2.805 ( -9.736 0.000 2.276) 9.998 2.974 ( 1.807 -0.000 -3.424) 3.872 2.999 ( -3.855 0.000 -0.168) 3.859 3.324 ( 1.622 -0.000 -1.351) 2.110 3.430 ( 8.392 -0.000 11.450) 14.196 3.467 ( -3.047 0.000 -6.285) 6.985 3.712 ( -1.334 0.000 -0.336) 1.376 3.760 ( 3.875 -0.000 6.175) 7.290 3.778 ( -0.123 0.000 0.729) 0.739 3.926 ( 0.333 -0.000 -10.374) 10.379 4.066 ( -13.654 0.000 -5.556) 14.741 4.303 ( -1.195 0.000 1.982) 2.314 4.438 ( 6.203 -0.000 6.455) 8.953 4.678 ( -1.571 0.000 7.283) 7.451 4.894 ( 1.151 -0.000 -0.614) 1.305 4.941 ( 4.081 -0.000 -8.213) 9.171 5.136 ( -6.566 0.000 0.497) 6.585 5.142 ( 5.163 -0.000 1.318) 5.329 5.365 ( -4.528 0.000 2.689) 5.266 5.527 ( -0.651 0.000 8.218) 8.244 5.569 ( -1.893 0.000 -0.433) 1.942 5.742 ( 3.851 -0.000 -0.653) 3.906 5.888 ( -9.509 0.000 0.881) 9.549 6.039 ( 7.150 -0.000 -5.063) 8.761 6.064 ( 6.294 -0.000 5.123) 8.116 6.106 ( -4.105 0.000 -7.426) 8.485 6.231 ( 0.651 -0.000 2.383) 2.471 6.522 ( -5.206 0.000 6.356) 8.216 6.596 ( 0.623 -0.000 -5.512) 5.547 7.076 ( 10.890 -0.000 -13.629) 17.446 7.668 ( 2.182 -0.000 5.851) 6.245 7.716 ( 2.978 -0.000 -1.435) 3.306 7.798 ( 2.139 -0.000 3.375) 3.996 7.986 ( 5.135 -0.000 -4.734) 6.984 8.024 ( -0.015 0.000 -2.377) 2.378 8.137 ( -2.627 0.000 0.415) 2.659 8.279 ( -3.576 0.000 0.043) 3.577 8.506 ( 0.199 -0.000 2.707) 2.715 8.916 ( -22.447 0.000 7.146) 23.557 9.190 ( -8.016 0.000 -0.814) 8.058 9.506 ( -4.395 0.000 -5.811) 7.286 9.870 ( -1.093 0.000 -12.623) 12.670 9.914 ( 0.399 -0.000 8.684) 8.693 10.098 ( 8.198 -0.000 4.372) 9.291 10.584 ( -5.828 0.000 -1.266) 5.964 10.637 ( 5.761 -0.000 -1.121) 5.869 10.661 ( 7.389 -0.000 -7.409) 10.464 10.777 ( -3.892 0.000 -0.643) 3.944 11.002 ( -6.100 0.000 1.422) 6.263 11.381 ( 3.117 -0.000 5.243) 6.100 11.522 ( -3.561 0.000 10.290) 10.889 11.871 ( 0.776 -0.000 -0.461) 0.903 11.880 ( -1.989 0.000 3.724) 4.222 11.920 ( -5.937 0.000 0.672) 5.975 12.542 ( -0.322 0.000 -3.943) 3.956 12.677 ( 6.062 -0.000 7.673) 9.778 12.741 ( 3.439 -0.000 -5.098) 6.149 12.976 ( -9.761 0.000 3.798) 10.474 13.000 ( 11.500 -0.000 -9.810) 15.116 13.484 ( -5.443 0.000 3.132) 6.280 13.605 ( 3.787 -0.000 -9.090) 9.848 13.647 ( -1.804 0.000 -8.090) 8.289 13.789 ( -2.768 0.000 -1.473) 3.136 14.193 ( -5.724 0.000 3.612) 6.768 14.552 ( -10.342 0.000 -1.776) 10.493 14.630 ( -16.038 0.000 4.212) 16.582 16.953 ( 24.313 -0.000 -1.427) 24.355 17.482 ( 14.101 -0.000 9.683) 17.106 17.582 ( -0.998 0.000 8.483) 8.542 17.937 ( 6.620 -0.000 -5.681) 8.723 20.820 ( -3.372 0.000 1.191) 3.576 21.127 ( 4.912 -0.000 -1.951) 5.286 21.626 ( -4.987 0.000 2.239) 5.467 21.655 ( -2.941 0.000 -2.664) 3.968 21.846 ( -3.555 0.000 -9.575) 10.214 22.381 ( 3.923 -0.000 12.501) 13.103 22.635 ( -2.914 0.000 9.754) 10.180 22.797 ( -13.870 0.000 -9.383) 16.746 22.939 ( -3.503 0.000 5.466) 6.492 23.066 ( 2.921 -0.000 0.246) 2.931 23.709 ( -1.979 0.000 -6.723) 7.009 23.788 ( -1.540 0.000 -3.319) 3.659 23.838 ( 4.591 -0.000 2.084) 5.042 23.843 ( 0.943 -0.000 3.990) 4.100 23.975 ( 2.950 -0.000 4.554) 5.426 24.864 ( 14.294 -0.000 -9.188) 16.992 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.196 -23.389 -8.867) 25.110 1.613 ( 1.251 -16.522 -5.720) 17.529 1.645 ( -2.301 -12.447 -16.816) 21.048 1.808 ( 10.517 -1.600 8.442) 13.581 2.013 ( 4.835 0.321 8.393) 9.692 2.232 ( -5.517 -10.633 0.352) 11.985 2.397 ( 4.930 -3.784 -4.448) 7.642 2.520 ( 1.678 -6.910 -3.608) 7.974 2.643 ( -13.326 2.135 -1.592) 13.589 2.778 ( -2.992 -0.659 -4.616) 5.540 2.852 ( 2.647 -3.732 2.776) 5.352 2.938 ( 1.591 1.766 -0.633) 2.460 3.004 ( -1.595 0.457 3.567) 3.934 3.296 ( -1.710 1.437 1.513) 2.698 3.522 ( 1.343 -3.289 -0.600) 3.603 3.541 ( 1.950 -1.157 -1.637) 2.797 3.644 ( 1.073 4.104 13.189) 13.854 3.740 ( -3.292 3.057 -3.926) 5.966 3.821 ( 2.283 -1.328 3.028) 4.018 3.928 ( 3.938 -6.185 -6.568) 9.844 4.047 ( -1.512 -6.147 -3.872) 7.421 4.289 ( -3.516 -0.571 -1.191) 3.756 4.483 ( 4.856 2.135 3.532) 6.373 4.632 ( -1.897 4.236 0.709) 4.695 4.905 ( -0.876 0.796 -6.881) 6.982 5.006 ( -2.319 -8.263 0.584) 8.602 5.104 ( -3.127 0.381 4.643) 5.611 5.208 ( 6.499 0.099 3.656) 7.457 5.277 ( -3.064 7.082 4.773) 9.073 5.555 ( 0.936 1.336 8.799) 8.949 5.566 ( -0.659 -0.938 0.547) 1.271 5.649 ( -1.296 8.511 -3.297) 9.219 5.823 ( -0.097 -1.233 -3.693) 3.895 5.903 ( -1.677 10.588 -5.155) 11.895 6.069 ( 3.718 0.963 -3.211) 5.007 6.141 ( 3.456 -0.763 7.585) 8.370 6.324 ( 2.934 0.088 1.474) 3.285 6.470 ( -5.296 0.032 3.330) 6.256 6.633 ( -1.392 -4.602 -3.751) 6.098 7.080 ( 7.435 1.338 -9.974) 12.512 7.681 ( 2.279 4.259 5.149) 7.060 7.781 ( 2.802 -2.256 0.823) 3.690 7.829 ( 1.220 -0.202 0.452) 1.316 7.964 ( 4.927 2.668 -1.197) 5.730 8.060 ( 2.799 -1.214 -1.528) 3.413 8.113 ( -4.102 -0.315 -0.014) 4.115 8.272 ( -2.555 -2.447 0.088) 3.539 8.520 ( -1.818 -0.683 2.367) 3.062 8.736 ( -17.049 2.248 8.356) 19.119 9.170 ( -6.096 -3.293 -4.126) 8.064 9.424 ( -5.170 -1.943 -7.442) 9.267 9.902 ( 0.117 -9.428 -14.614) 17.392 9.926 ( -1.195 2.218 7.080) 7.515 10.147 ( 7.639 4.096 3.666) 9.411 10.546 ( -4.201 -1.125 -0.545) 4.383 10.641 ( 4.920 1.807 -3.700) 6.415 10.739 ( 6.740 -4.284 -3.185) 8.598 10.786 ( -5.248 -4.379 -0.435) 6.849 10.959 ( -4.425 0.120 2.394) 5.033 11.397 ( -0.786 0.464 0.103) 0.918 11.582 ( -1.223 -2.570 10.014) 10.410 11.815 ( -7.158 2.411 0.885) 7.605 11.867 ( 0.899 0.977 -0.720) 1.510 11.946 ( -1.747 -1.053 6.039) 6.374 12.468 ( 7.817 13.442 -5.187) 16.392 12.490 ( -0.107 2.463 -5.389) 5.926 12.844 ( -0.573 4.042 7.555) 8.587 12.927 ( 2.025 1.473 -1.864) 3.122 13.153 ( 1.564 -10.078 -7.451) 12.631 13.379 ( -4.418 9.205 -0.622) 10.229 13.498 ( -4.644 1.140 -3.613) 5.993 13.588 ( 3.873 1.836 -5.748) 7.170 13.855 ( 6.974 -4.001 3.035) 8.594 14.165 ( -5.346 -0.139 2.949) 6.107 14.421 ( -9.810 -2.277 0.824) 10.105 14.748 ( -13.759 -15.579 0.873) 20.804 17.048 ( 21.072 9.593 1.123) 23.180 17.545 ( 6.610 8.007 8.179) 13.218 17.648 ( -0.781 -2.310 7.704) 8.080 17.976 ( 5.728 -1.392 -5.144) 7.824 20.803 ( -3.366 -0.030 2.197) 4.020 21.144 ( 4.115 1.069 -3.581) 5.559 21.542 ( -4.216 4.223 0.155) 5.970 21.593 ( -0.933 2.087 -1.483) 2.725 21.786 ( -2.988 -1.281 -7.503) 8.177 22.441 ( -16.224 -3.850 -12.404) 20.782 22.580 ( 6.249 7.119 11.129) 14.614 22.736 ( -0.738 -5.083 9.987) 11.231 23.049 ( -3.149 -8.053 2.631) 9.038 23.152 ( 2.343 -5.623 1.735) 6.334 23.668 ( -1.143 -1.000 -6.767) 6.935 23.754 ( -1.850 -0.340 -3.839) 4.275 23.865 ( 1.193 0.896 3.975) 4.246 23.892 ( 2.002 -0.444 3.642) 4.180 24.038 ( 4.398 0.503 6.978) 8.263 24.836 ( 10.552 8.600 -8.956) 16.295 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -2.796 -26.023 -1.056) 26.194 1.788 ( 3.370 -11.484 -10.985) 16.245 1.896 ( 1.098 -10.326 -5.190) 11.609 1.988 ( 0.333 -2.707 7.080) 7.587 2.075 ( 7.898 -3.305 5.182) 10.008 2.366 ( -5.483 -7.072 -3.154) 9.488 2.462 ( -0.593 -5.804 -11.842) 13.201 2.546 ( -8.880 -4.353 -0.741) 9.917 2.711 ( 0.434 -8.242 0.277) 8.258 2.759 ( 1.591 -2.570 -0.807) 3.129 2.858 ( -3.480 -1.626 -9.315) 10.075 2.977 ( 2.304 -0.395 3.647) 4.332 3.061 ( 0.854 -3.891 13.742) 14.308 3.244 ( -2.489 2.902 -1.268) 4.028 3.431 ( 0.764 5.154 4.444) 6.848 3.617 ( -2.555 -1.429 -4.111) 5.047 3.664 ( -0.143 0.851 6.356) 6.414 3.749 ( -2.473 -8.362 0.115) 8.721 3.918 ( 5.888 -3.036 7.294) 9.854 4.046 ( 2.774 -3.066 -8.405) 9.367 4.131 ( 0.236 -5.084 -9.670) 10.928 4.285 ( -1.903 -2.874 -0.625) 3.503 4.499 ( 5.172 1.511 2.857) 6.099 4.565 ( 1.619 0.759 -3.571) 3.993 4.809 ( -2.493 4.553 -3.241) 6.119 5.028 ( -4.764 0.900 -3.042) 5.724 5.065 ( -6.772 2.737 4.096) 8.374 5.208 ( 1.664 -1.082 5.574) 5.917 5.341 ( 2.970 -2.506 11.398) 12.042 5.467 ( -4.012 4.524 -2.628) 6.593 5.575 ( 2.779 2.271 8.211) 8.961 5.635 ( 6.022 -0.537 -4.291) 7.413 5.714 ( 2.094 6.459 2.190) 7.134 5.806 ( 0.653 1.353 -7.216) 7.371 6.039 ( 2.868 2.978 -3.193) 5.224 6.230 ( -1.439 -0.010 7.657) 7.791 6.258 ( 1.687 4.748 5.156) 7.209 6.477 ( -1.168 -1.929 -2.178) 3.135 6.675 ( -4.062 -3.241 -2.007) 5.571 7.042 ( 2.989 2.896 -6.632) 7.830 7.588 ( -0.907 6.701 3.795) 7.754 7.793 ( 0.101 4.441 -2.614) 5.154 7.857 ( 3.564 -2.386 0.681) 4.343 7.936 ( 5.594 6.400 0.487) 8.514 8.045 ( 0.524 3.644 2.717) 4.576 8.140 ( -1.332 -4.377 -0.612) 4.616 8.285 ( -3.638 -1.545 1.631) 4.276 8.475 ( -6.792 3.863 3.066) 8.394 8.778 ( -2.912 -11.198 9.228) 14.799 9.146 ( -0.817 -0.726 -5.061) 5.177 9.423 ( -6.576 -5.919 -7.505) 11.602 9.869 ( 0.452 5.680 5.662) 8.033 10.054 ( -1.456 -14.417 -17.907) 23.036 10.114 ( 5.986 6.645 0.761) 8.976 10.552 ( -4.384 -1.666 5.374) 7.132 10.638 ( 6.031 0.845 -4.747) 7.721 10.800 ( -4.876 -4.298 -4.116) 7.693 10.910 ( 8.961 -7.118 -1.734) 11.575 10.964 ( -2.064 -1.223 4.132) 4.778 11.364 ( -5.841 -0.923 -2.250) 6.327 11.671 ( 1.541 2.248 7.718) 8.185 11.725 ( -3.615 0.121 3.852) 5.284 11.814 ( -3.249 2.967 -1.675) 4.708 11.965 ( -3.909 -0.712 5.817) 7.044 12.325 ( 9.542 7.718 -4.720) 13.149 12.413 ( -0.772 1.298 -5.842) 6.034 12.744 ( -3.887 7.101 7.834) 11.265 12.878 ( 0.771 4.701 -3.160) 5.716 13.035 ( -3.855 7.851 -6.632) 10.977 13.341 ( 3.923 -0.993 -7.992) 8.958 13.534 ( 1.544 -4.868 2.222) 5.570 13.584 ( 4.747 -0.062 0.729) 4.803 13.993 ( 1.247 -3.613 3.076) 4.906 14.137 ( -5.493 -0.129 2.404) 5.998 14.485 ( -1.905 -8.444 2.455) 8.997 14.919 ( -12.951 -14.070 -0.264) 19.124 16.990 ( 15.991 14.556 4.038) 21.998 17.410 ( 2.359 12.041 1.846) 12.408 17.714 ( -2.517 -1.883 7.272) 7.922 18.020 ( 4.455 -1.378 -5.126) 6.930 20.779 ( -3.632 0.952 3.228) 4.952 21.120 ( 3.710 2.053 -5.968) 7.321 21.444 ( -2.380 2.539 0.193) 3.486 21.570 ( 0.582 0.271 0.461) 0.790 21.765 ( -2.777 -3.128 -6.698) 7.897 22.196 ( -11.609 5.026 -10.826) 16.650 22.692 ( 4.153 -2.665 9.948) 11.105 22.898 ( 1.935 -6.404 6.867) 9.587 23.181 ( -1.104 -6.719 1.893) 7.067 23.317 ( 1.184 -8.499 3.084) 9.119 23.652 ( -0.854 -1.377 -5.287) 5.529 23.731 ( -1.801 -0.884 -3.556) 4.083 23.874 ( 0.467 0.906 3.486) 3.632 23.925 ( 0.720 -0.302 2.211) 2.345 24.080 ( 2.911 2.322 6.179) 7.214 24.647 ( 5.964 13.828 -7.732) 16.928 ======================= Grid point 154 (76/114) ======================= q-point: ( 0.62 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -11.106 -2.442 6.699) 13.198 1.935 ( -0.149 -5.046 -4.380) 6.683 2.040 ( 3.045 -11.653 2.071) 12.221 2.138 ( 3.987 0.729 4.741) 6.238 2.206 ( 1.876 -9.868 -4.050) 10.831 2.418 ( 3.682 -1.360 2.582) 4.698 2.531 ( -5.317 -8.566 -7.349) 12.476 2.569 ( 2.225 -4.190 -8.788) 9.987 2.725 ( -4.035 0.482 -3.664) 5.471 2.788 ( 1.788 -2.828 0.407) 3.371 2.979 ( 1.669 -5.752 2.741) 6.587 3.055 ( 2.829 1.569 3.337) 4.648 3.120 ( -4.201 -4.201 -2.359) 6.392 3.236 ( 1.547 -3.562 4.595) 6.016 3.438 ( 2.044 0.444 6.706) 7.024 3.621 ( 0.701 3.135 3.757) 4.943 3.664 ( -1.569 -4.123 -2.861) 5.258 3.830 ( -5.099 -3.764 -2.303) 6.744 3.957 ( -5.477 2.264 -10.807) 12.326 4.069 ( 1.242 0.107 -6.657) 6.773 4.167 ( 6.881 -4.648 6.458) 10.520 4.315 ( -5.778 -1.045 0.361) 5.883 4.497 ( 0.153 3.123 0.679) 3.200 4.620 ( 2.364 -5.306 -9.554) 11.181 4.736 ( 7.630 2.066 3.399) 8.605 4.970 ( -3.290 2.891 4.994) 6.642 5.023 ( -1.625 -3.314 0.220) 3.697 5.273 ( 1.394 -0.868 2.633) 3.103 5.368 ( -3.945 1.713 -0.944) 4.403 5.411 ( -3.433 0.083 9.015) 9.646 5.600 ( -0.652 1.926 6.114) 6.443 5.640 ( 2.642 0.905 0.190) 2.799 5.689 ( -1.548 5.196 -7.141) 8.966 5.728 ( 9.113 0.569 0.595) 9.150 5.975 ( 2.102 5.151 -2.474) 6.089 6.149 ( -2.906 0.572 0.243) 2.972 6.349 ( 4.480 -0.065 8.609) 9.705 6.486 ( 0.033 -1.007 -2.081) 2.312 6.645 ( -4.884 1.019 -2.321) 5.503 6.956 ( -2.356 2.050 -7.270) 7.913 7.521 ( 0.324 1.772 2.364) 2.973 7.696 ( 0.526 2.778 -4.052) 4.941 7.819 ( 1.392 7.268 2.242) 7.732 7.890 ( 0.870 3.525 0.602) 3.680 8.034 ( 5.050 1.428 3.519) 6.319 8.186 ( -0.745 -3.558 1.894) 4.099 8.316 ( -4.984 0.685 0.364) 5.044 8.380 ( -3.365 -1.605 2.364) 4.414 9.048 ( 0.575 -9.813 10.978) 14.736 9.148 ( 2.418 -0.584 -0.572) 2.552 9.432 ( -4.601 -4.144 -5.123) 8.037 9.798 ( 1.252 4.866 3.911) 6.367 9.976 ( -2.705 7.337 -3.567) 8.595 10.224 ( 1.158 -12.383 -19.785) 23.370 10.558 ( -2.126 1.799 8.443) 8.891 10.678 ( 7.368 -1.883 -5.896) 9.623 10.823 ( -2.882 -2.937 -3.245) 5.240 10.974 ( 0.607 0.855 -0.269) 1.082 11.121 ( 7.507 -5.441 1.576) 9.404 11.353 ( -4.558 -4.861 0.836) 6.716 11.569 ( 0.842 8.663 3.305) 9.310 11.698 ( -3.289 2.614 -0.478) 4.228 11.829 ( -3.716 -6.301 3.481) 8.102 11.967 ( -3.571 -0.123 3.146) 4.761 12.260 ( 4.627 4.175 -1.314) 6.369 12.396 ( -1.128 -3.573 -5.550) 6.696 12.632 ( -3.740 5.190 7.275) 9.688 12.714 ( -0.726 8.407 -0.791) 8.475 12.957 ( 1.277 -0.783 -3.291) 3.616 13.295 ( 1.866 0.967 -10.622) 10.828 13.650 ( 4.300 -0.969 3.454) 5.600 13.670 ( 5.203 -3.631 0.691) 6.383 14.035 ( -4.035 -1.122 2.511) 4.883 14.105 ( -3.398 0.328 1.301) 3.653 14.686 ( 3.944 -8.488 5.144) 10.680 15.043 ( -10.670 -10.661 -2.106) 15.230 16.829 ( 6.269 15.371 6.500) 17.827 17.204 ( 3.204 10.474 -5.568) 12.287 17.756 ( -3.190 -1.293 6.744) 7.572 18.042 ( 3.658 -0.235 -5.652) 6.737 20.753 ( -3.165 0.456 4.818) 5.782 21.078 ( 3.142 1.667 -6.504) 7.413 21.418 ( 0.049 0.041 1.704) 1.705 21.571 ( -1.119 0.145 -0.233) 1.152 21.780 ( -1.595 -3.284 -4.521) 5.811 21.996 ( -7.114 2.074 -6.359) 9.765 22.815 ( 2.762 -2.055 7.685) 8.421 23.063 ( 4.404 -5.380 2.327) 7.332 23.308 ( 1.618 -5.058 3.741) 6.495 23.493 ( -0.176 -7.571 2.760) 8.061 23.640 ( -0.707 -0.372 -3.655) 3.742 23.716 ( -1.684 -1.032 -3.220) 3.777 23.878 ( -0.526 0.446 2.699) 2.786 23.939 ( 0.221 0.186 0.505) 0.582 24.065 ( 1.614 3.848 3.356) 5.355 24.369 ( 0.596 13.998 -6.000) 15.242 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -11.458 6.912 16.412) 21.176 1.973 ( -1.531 3.076 -1.895) 3.924 2.015 ( -1.963 -0.019 -4.323) 4.748 2.287 ( 5.108 1.772 7.800) 9.491 2.347 ( 5.217 -2.805 -2.859) 6.577 2.466 ( 4.047 -1.548 1.480) 4.579 2.589 ( -0.679 1.433 -3.644) 3.974 2.617 ( -3.611 -4.983 -5.370) 8.167 2.754 ( 7.920 -6.444 -2.262) 10.458 2.909 ( 2.731 1.745 4.197) 5.303 2.931 ( 0.571 -3.324 3.616) 4.944 3.137 ( -0.242 -4.313 -3.143) 5.342 3.217 ( -4.434 -3.745 0.953) 5.881 3.297 ( -0.469 -1.394 -0.144) 1.478 3.444 ( 5.814 4.082 -1.329) 7.228 3.552 ( -4.812 2.142 1.210) 5.405 3.688 ( -3.103 2.571 1.871) 4.443 3.826 ( 3.928 -0.292 -5.216) 6.536 3.836 ( -6.654 -0.763 -5.715) 8.804 4.002 ( 0.999 2.551 -7.571) 8.051 4.205 ( -7.495 5.921 4.522) 10.568 4.322 ( 2.743 -1.060 2.533) 3.881 4.461 ( 0.422 -0.862 2.269) 2.464 4.675 ( -0.709 -4.822 -4.239) 6.459 4.788 ( 8.683 4.161 2.582) 9.969 4.993 ( 0.638 -1.749 -2.202) 2.884 5.093 ( 0.147 -3.436 4.845) 5.942 5.297 ( -3.596 -0.370 -0.591) 3.663 5.328 ( 2.799 -0.126 3.580) 4.546 5.393 ( -5.970 1.520 5.289) 8.120 5.496 ( -1.384 5.049 -1.333) 5.403 5.603 ( -0.061 1.140 -1.842) 2.167 5.681 ( -1.704 -1.962 2.807) 3.825 5.785 ( 0.845 -1.448 -2.334) 2.874 5.895 ( 4.493 4.576 1.536) 6.594 6.153 ( 2.111 -0.767 -3.780) 4.397 6.340 ( -2.312 4.267 0.628) 4.893 6.523 ( 4.158 -1.231 -4.237) 6.063 6.587 ( -2.080 -0.638 4.035) 4.584 6.876 ( -3.196 -0.578 -6.974) 7.693 7.544 ( 1.680 -2.235 1.533) 3.189 7.664 ( -0.656 -0.582 -3.664) 3.768 7.737 ( 0.581 3.349 2.694) 4.337 7.821 ( -1.059 1.779 0.359) 2.101 8.107 ( 4.112 -1.414 3.405) 5.523 8.192 ( -3.961 2.050 -0.951) 4.560 8.315 ( 3.023 -3.648 3.865) 6.115 8.422 ( -2.796 -2.580 -0.903) 3.911 9.176 ( -9.598 -3.426 8.740) 13.426 9.248 ( 6.932 -5.050 1.079) 8.644 9.452 ( 3.841 1.816 3.881) 5.754 9.723 ( -3.883 6.914 -1.095) 8.005 9.819 ( -3.172 0.855 1.096) 3.463 10.309 ( 2.085 -6.657 -20.231) 21.400 10.569 ( 3.541 2.056 6.978) 8.091 10.713 ( 2.717 1.883 -4.947) 5.950 10.836 ( 0.292 -3.443 -2.771) 4.429 10.937 ( 0.899 2.045 -3.559) 4.202 11.189 ( 0.450 2.078 4.902) 5.343 11.406 ( -1.089 7.355 -2.785) 7.940 11.489 ( 1.194 -4.416 7.325) 8.636 11.701 ( -1.673 -5.351 -2.005) 5.954 11.919 ( 2.990 -2.599 0.709) 4.025 11.943 ( -6.124 -0.885 1.217) 6.306 12.238 ( -1.091 0.284 3.059) 3.260 12.415 ( -2.328 -1.289 -4.771) 5.463 12.574 ( 0.562 3.641 3.447) 5.046 12.643 ( 1.742 -2.539 2.607) 4.034 12.997 ( -0.149 -3.710 0.817) 3.802 13.277 ( 1.750 -3.132 -8.000) 8.767 13.672 ( -4.240 0.841 2.636) 5.063 13.753 ( 3.859 -0.734 -0.945) 4.040 14.011 ( -4.395 1.039 2.474) 5.149 14.095 ( 5.254 1.480 -0.835) 5.522 14.877 ( 0.277 -5.258 7.007) 8.765 15.123 ( -2.437 -6.533 -4.855) 8.496 16.620 ( -4.691 11.128 8.403) 14.712 17.038 ( 6.674 6.740 -10.558) 14.192 17.773 ( -2.907 0.299 5.091) 5.870 18.030 ( 3.578 1.349 -6.191) 7.277 20.772 ( -2.906 -1.823 7.005) 7.800 21.052 ( 3.244 0.262 -5.815) 6.663 21.440 ( 1.381 -0.197 2.350) 2.733 21.531 ( -2.647 1.427 -2.487) 3.902 21.797 ( -0.228 -1.066 1.387) 1.764 21.954 ( -4.166 -4.938 -5.067) 8.211 22.887 ( 0.651 0.207 6.766) 6.800 23.178 ( 4.438 -2.403 -4.615) 6.839 23.433 ( 3.322 -2.907 6.110) 7.538 23.605 ( -2.630 0.420 -1.882) 3.262 23.619 ( 2.779 -3.078 1.493) 4.408 23.711 ( -1.158 -1.626 -2.502) 3.201 23.859 ( -1.604 2.400 2.010) 3.517 23.924 ( 0.861 1.613 -0.881) 2.029 24.026 ( 1.341 2.267 0.974) 2.808 24.113 ( -3.748 8.156 -3.155) 9.515 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -7.976 11.229 15.109) 20.445 1.855 ( -1.002 9.291 6.477) 11.369 1.934 ( 1.241 7.181 -4.158) 8.390 2.248 ( 6.292 8.673 1.762) 10.860 2.353 ( 4.076 4.607 6.094) 8.658 2.440 ( -6.605 1.094 -5.480) 8.652 2.614 ( 9.052 5.463 -1.019) 10.622 2.669 ( 0.795 -6.101 -3.656) 7.157 2.871 ( 6.646 -0.865 2.618) 7.195 2.912 ( -4.270 0.439 3.820) 5.746 3.003 ( -2.413 0.906 -2.143) 3.352 3.142 ( -1.681 0.721 -1.967) 2.687 3.174 ( -3.376 8.488 -0.887) 9.177 3.243 ( -0.782 -0.011 1.263) 1.486 3.414 ( 4.186 4.029 1.413) 5.979 3.522 ( -5.751 -2.170 -4.462) 7.596 3.575 ( -0.204 4.173 1.631) 4.485 3.728 ( -3.028 6.048 -5.292) 8.588 3.880 ( 7.319 -3.175 -1.175) 8.064 3.961 ( 2.314 -1.779 -8.927) 9.392 4.090 ( -6.747 3.173 9.179) 11.826 4.299 ( 1.280 4.723 2.754) 5.615 4.544 ( 0.921 -4.388 0.534) 4.516 4.725 ( -2.927 -1.339 -0.704) 3.295 4.786 ( 7.980 2.239 -2.107) 8.551 4.911 ( -2.240 4.363 -6.806) 8.389 5.207 ( 0.033 -4.617 6.586) 8.043 5.295 ( -3.810 -4.291 1.936) 6.056 5.345 ( -5.608 1.743 4.472) 7.381 5.381 ( 0.556 1.830 3.957) 4.395 5.463 ( 0.334 -3.423 1.933) 3.945 5.568 ( -1.612 0.645 -4.548) 4.868 5.693 ( 0.679 -0.493 -0.612) 1.039 5.811 ( 0.301 -2.740 -2.754) 3.897 5.891 ( 4.279 1.051 1.931) 4.811 6.102 ( 3.881 6.784 -8.074) 11.237 6.270 ( -4.822 -0.741 3.420) 5.958 6.533 ( 2.613 -2.769 -8.257) 9.093 6.702 ( 2.921 -4.974 7.273) 9.283 6.851 ( -1.618 -2.118 -5.068) 5.727 7.621 ( -3.192 0.447 -1.039) 3.386 7.644 ( 0.692 -4.813 0.733) 4.918 7.728 ( 0.341 -0.389 1.177) 1.285 7.846 ( 2.400 -2.407 -1.451) 3.696 8.074 ( -5.752 0.371 1.191) 5.886 8.228 ( 5.228 -0.243 -0.068) 5.234 8.399 ( -1.617 -0.757 1.287) 2.201 8.433 ( 0.449 -2.178 0.555) 2.292 9.166 ( -14.938 -2.879 4.962) 16.002 9.428 ( -0.627 4.407 2.180) 4.956 9.445 ( 9.073 -6.355 5.273) 12.268 9.563 ( 1.478 3.714 -2.546) 4.740 9.840 ( -3.764 -0.716 8.200) 9.051 10.304 ( 4.586 -0.233 -16.334) 16.967 10.587 ( 6.742 4.341 4.655) 9.272 10.648 ( -1.343 0.994 -3.925) 4.266 10.879 ( 2.626 2.254 -3.263) 4.756 10.916 ( 0.819 -3.606 -6.442) 7.428 11.169 ( 1.743 2.623 4.975) 5.888 11.231 ( -4.883 6.382 -1.218) 8.128 11.580 ( -1.462 -0.314 6.080) 6.261 11.753 ( -0.793 -2.202 -2.104) 3.147 11.920 ( -1.480 -1.005 -0.005) 1.789 12.015 ( 2.728 -3.511 -0.231) 4.452 12.249 ( -6.960 -2.512 4.505) 8.663 12.404 ( 1.236 -1.404 -0.213) 1.883 12.570 ( 2.483 0.370 5.399) 5.954 12.770 ( 2.790 -6.773 -7.172) 10.252 13.121 ( -1.200 -8.354 7.913) 11.569 13.339 ( 0.513 -5.164 -5.247) 7.380 13.584 ( -12.143 1.313 2.354) 12.439 13.751 ( -1.118 0.837 -2.664) 3.008 13.950 ( -1.340 3.681 -0.287) 3.928 14.124 ( 10.675 2.501 -0.915) 11.002 14.915 ( -11.478 -0.803 4.332) 12.295 15.224 ( 10.697 -2.096 -3.476) 11.441 16.448 ( -9.941 4.712 8.524) 13.917 16.969 ( 11.545 2.462 -10.715) 15.942 17.743 ( -2.920 2.810 3.594) 5.417 17.993 ( 4.357 2.511 -6.314) 8.072 20.830 ( -4.040 -2.961 6.593) 8.280 21.065 ( 4.527 -0.831 -4.619) 6.521 21.462 ( -2.557 -0.401 -0.402) 2.619 21.480 ( 1.680 0.188 0.960) 1.944 21.875 ( 3.675 -3.372 7.549) 9.048 21.990 ( -5.247 -5.229 -5.808) 9.413 22.889 ( -1.969 2.312 5.828) 6.572 23.141 ( -0.390 4.012 -9.054) 9.911 23.455 ( -2.143 3.887 1.935) 4.842 23.516 ( -3.442 6.308 -1.675) 7.379 23.714 ( -0.735 -3.652 -0.617) 3.776 23.791 ( 7.945 -3.998 0.025) 8.894 23.821 ( 0.722 0.409 2.875) 2.993 23.867 ( -0.439 4.187 -1.729) 4.552 23.978 ( -1.954 0.723 0.994) 2.309 24.054 ( 3.749 -2.439 0.264) 4.480 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 3.063 -0.000 -9.333) 9.823 1.322 ( -4.236 0.000 -7.280) 8.423 1.486 ( 6.982 -0.000 -13.771) 15.440 1.904 ( -0.221 0.000 5.311) 5.316 2.092 ( 5.195 -0.000 0.807) 5.257 2.144 ( 6.195 -0.000 6.949) 9.310 2.356 ( -6.236 0.000 -0.279) 6.242 2.408 ( -1.555 0.000 -5.405) 5.624 2.544 ( -7.960 0.000 -5.949) 9.937 2.733 ( -1.389 0.000 -2.292) 2.680 2.882 ( 2.002 -0.000 8.081) 8.325 2.895 ( -5.486 0.000 -6.253) 8.318 3.090 ( 9.214 -0.000 4.312) 10.173 3.351 ( -5.121 0.000 -3.193) 6.035 3.354 ( -0.510 0.000 3.386) 3.425 3.615 ( 5.565 -0.000 -4.803) 7.351 3.670 ( -9.338 0.000 -7.965) 12.273 3.786 ( 1.234 -0.000 11.809) 11.873 3.864 ( 7.665 -0.000 3.039) 8.245 3.876 ( 4.526 -0.000 -0.339) 4.539 3.956 ( -0.433 0.000 -2.302) 2.342 4.236 ( -6.406 0.000 -0.977) 6.480 4.515 ( 1.939 -0.000 -3.027) 3.595 4.630 ( -9.844 0.000 0.577) 9.861 4.875 ( 0.878 -0.000 -5.410) 5.481 4.956 ( 1.108 -0.000 3.351) 3.529 5.112 ( -1.643 0.000 5.445) 5.687 5.273 ( 4.671 -0.000 7.125) 8.520 5.403 ( 3.627 -0.000 5.467) 6.561 5.525 ( -1.486 0.000 -2.500) 2.909 5.635 ( 0.791 -0.000 7.590) 7.631 5.714 ( -4.968 0.000 -3.068) 5.839 5.758 ( 1.546 -0.000 -4.312) 4.581 6.000 ( -1.398 0.000 -2.118) 2.537 6.101 ( 5.028 -0.000 -2.838) 5.774 6.145 ( -2.758 0.000 5.168) 5.858 6.374 ( 10.431 -0.000 4.647) 11.419 6.462 ( -9.055 0.000 4.307) 10.027 6.551 ( 0.797 -0.000 -6.160) 6.212 7.092 ( 7.673 -0.000 -12.251) 14.456 7.781 ( 3.146 -0.000 5.402) 6.251 7.788 ( 5.110 -0.000 0.999) 5.207 7.848 ( -1.269 0.000 2.102) 2.455 8.031 ( 3.982 -0.000 -4.040) 5.673 8.044 ( 3.780 -0.000 -0.182) 3.784 8.052 ( -4.335 0.000 -1.562) 4.608 8.242 ( -1.070 0.000 1.396) 1.758 8.508 ( -2.787 0.000 2.992) 4.089 8.680 ( -15.014 0.000 10.636) 18.400 9.045 ( -6.075 0.000 -4.650) 7.650 9.318 ( -6.974 0.000 -9.667) 11.920 9.675 ( -1.800 0.000 -18.601) 18.687 10.018 ( 1.344 -0.000 8.391) 8.498 10.253 ( 4.267 -0.000 2.666) 5.031 10.514 ( -1.805 0.000 0.526) 1.881 10.666 ( -7.727 0.000 1.888) 7.954 10.719 ( 6.631 -0.000 -5.376) 8.537 10.729 ( 7.464 -0.000 -2.717) 7.943 10.923 ( -6.253 0.000 2.661) 6.796 11.326 ( -6.105 0.000 -12.361) 13.787 11.601 ( -1.909 0.000 12.671) 12.814 11.821 ( -1.110 0.000 5.978) 6.080 11.904 ( 0.008 -0.000 4.107) 4.107 11.992 ( 4.327 -0.000 5.011) 6.620 12.469 ( -1.018 0.000 -7.327) 7.398 12.713 ( 2.879 -0.000 -9.877) 10.288 12.817 ( 2.524 -0.000 2.569) 3.602 12.955 ( -3.050 0.000 10.338) 10.779 13.063 ( 7.683 -0.000 -10.278) 12.833 13.395 ( -6.929 0.000 1.217) 7.035 13.494 ( -0.697 0.000 -5.041) 5.089 13.603 ( 3.819 -0.000 -4.459) 5.871 13.900 ( 9.372 -0.000 1.886) 9.560 14.136 ( -4.292 0.000 2.243) 4.842 14.364 ( -10.897 0.000 0.782) 10.925 14.434 ( -10.716 0.000 1.514) 10.823 17.333 ( 21.129 -0.000 1.471) 21.180 17.651 ( -0.681 0.000 7.022) 7.055 17.716 ( -1.500 0.000 11.962) 12.056 17.983 ( 5.391 -0.000 -5.207) 7.495 20.789 ( -2.698 0.000 2.615) 3.758 21.171 ( 3.752 -0.000 -3.963) 5.457 21.536 ( -4.504 0.000 -2.966) 5.393 21.581 ( -3.321 0.000 -1.916) 3.834 21.727 ( -2.494 0.000 -3.679) 4.445 22.177 ( -13.914 0.000 -17.834) 22.620 22.735 ( 1.200 -0.000 9.645) 9.719 22.783 ( 5.796 -0.000 8.124) 9.980 22.953 ( -2.892 0.000 8.131) 8.630 23.131 ( 2.527 -0.000 2.805) 3.776 23.612 ( -0.060 0.000 -7.935) 7.935 23.705 ( -2.591 0.000 -5.018) 5.647 23.905 ( 0.986 -0.000 3.801) 3.927 23.925 ( 0.976 -0.000 4.149) 4.262 24.135 ( 3.683 -0.000 12.151) 12.697 24.948 ( 9.118 -0.000 -11.216) 14.455 ======================= Grid point 161 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 1.481 -22.823 -3.169) 23.089 1.501 ( -0.769 -21.087 -9.863) 23.292 1.609 ( 10.558 -8.619 -4.940) 14.497 1.933 ( -6.651 -5.040 4.520) 9.490 2.160 ( -2.709 -5.487 -3.196) 6.904 2.186 ( -6.443 0.958 3.082) 7.206 2.281 ( 2.519 -1.651 -6.258) 6.945 2.451 ( -2.137 -4.088 -3.516) 5.800 2.564 ( 1.529 -5.622 7.806) 9.740 2.709 ( -1.928 -0.421 -3.240) 3.794 2.790 ( 1.493 0.015 -7.939) 8.078 3.012 ( -1.549 -4.291 3.966) 6.045 3.099 ( 2.675 5.038 5.437) 7.880 3.298 ( 2.706 1.428 1.231) 3.298 3.451 ( -5.318 -8.345 -1.672) 10.036 3.529 ( -0.838 3.012 -4.280) 5.300 3.632 ( 0.353 0.510 0.949) 1.134 3.782 ( -2.811 3.688 6.888) 8.304 3.911 ( 0.283 -3.546 -3.179) 4.771 3.975 ( 4.242 -2.261 -0.786) 4.871 4.049 ( 9.535 -4.641 -0.530) 10.617 4.190 ( -5.899 -2.124 -1.052) 6.357 4.517 ( 1.118 -0.740 -3.912) 4.135 4.551 ( -8.432 -0.010 0.662) 8.458 4.834 ( 1.512 1.816 -4.139) 4.766 4.967 ( -2.211 -0.051 -1.103) 2.472 5.108 ( -0.617 2.877 4.982) 5.786 5.344 ( 0.374 5.006 7.557) 9.073 5.382 ( 2.684 -0.170 8.250) 8.677 5.482 ( -4.582 3.425 -4.727) 7.421 5.638 ( 2.241 -1.335 -3.736) 4.557 5.712 ( 4.747 2.430 9.254) 10.681 5.771 ( 1.822 -1.336 -5.628) 6.064 5.889 ( 3.432 7.828 2.459) 8.894 6.104 ( 4.503 1.940 -2.129) 5.345 6.227 ( -2.518 -4.496 5.666) 7.659 6.348 ( -9.302 3.839 2.542) 10.379 6.468 ( 5.986 1.062 4.520) 7.576 6.564 ( -0.984 -3.112 -4.926) 5.910 7.070 ( 3.821 2.149 -10.854) 11.706 7.728 ( -3.431 6.776 3.561) 8.389 7.847 ( 3.858 -0.502 0.172) 3.895 7.854 ( 2.816 0.532 0.361) 2.889 8.023 ( -3.338 -3.505 -1.901) 5.200 8.063 ( 4.586 -0.077 0.372) 4.602 8.111 ( 2.301 -0.181 -0.156) 2.313 8.253 ( -0.464 -0.532 2.752) 2.841 8.489 ( -5.381 1.692 2.332) 6.103 8.660 ( -3.293 -4.278 13.598) 14.631 9.029 ( -4.845 -5.195 -4.939) 8.651 9.232 ( -5.284 -3.269 -10.109) 11.866 9.675 ( -1.441 -11.172 -21.504) 24.276 10.022 ( 1.240 5.123 8.024) 9.600 10.249 ( 1.038 3.737 0.220) 3.885 10.524 ( -0.547 -1.548 3.171) 3.570 10.638 ( -4.395 -1.954 0.798) 4.876 10.723 ( 4.435 0.552 -4.626) 6.432 10.856 ( 9.428 -5.697 -1.769) 11.157 10.907 ( -5.960 -2.455 3.241) 7.215 11.210 ( -8.349 -2.252 -13.825) 16.307 11.666 ( -2.311 -1.349 12.788) 13.064 11.831 ( 1.569 3.480 7.074) 8.038 11.918 ( 2.629 2.226 1.887) 3.928 11.998 ( -0.938 4.483 7.755) 9.007 12.396 ( -2.036 1.743 -8.571) 8.981 12.537 ( 7.119 9.673 -8.740) 14.853 12.882 ( -6.135 1.283 1.033) 6.352 12.918 ( 0.119 5.302 6.195) 8.155 13.060 ( 0.340 0.940 -8.529) 8.587 13.372 ( -0.789 4.068 -6.738) 7.911 13.441 ( 3.953 -3.864 4.507) 7.133 13.619 ( 3.508 -0.436 -2.779) 4.497 14.000 ( 4.736 -0.309 3.265) 5.760 14.111 ( -3.133 0.179 1.500) 3.479 14.327 ( -2.370 -7.231 2.938) 8.157 14.545 ( -9.672 -14.268 -0.824) 17.257 17.408 ( 17.326 11.474 4.265) 21.214 17.619 ( -4.617 7.393 5.202) 10.150 17.717 ( -2.531 0.188 8.450) 8.823 18.007 ( 4.314 -0.919 -5.177) 6.801 20.780 ( -2.913 0.353 3.687) 4.712 21.158 ( 3.662 1.786 -6.399) 7.586 21.456 ( -3.389 2.063 -2.128) 4.502 21.558 ( -3.618 -1.407 -2.323) 4.525 21.678 ( -1.264 0.203 -2.609) 2.906 22.030 ( -10.034 -2.894 -15.164) 18.412 22.776 ( 3.120 1.478 7.115) 7.909 22.873 ( 3.221 -2.952 8.095) 9.199 23.061 ( -1.298 -6.607 6.380) 9.276 23.224 ( 2.322 -4.959 5.418) 7.703 23.587 ( 0.537 -1.413 -7.494) 7.645 23.665 ( -2.801 -1.229 -5.346) 6.159 23.921 ( 0.923 1.086 3.414) 3.700 23.947 ( 0.416 0.315 2.969) 3.014 24.199 ( 1.163 2.737 12.415) 12.766 24.869 ( 6.498 9.105 -11.518) 16.055 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -1.697 -22.404 -0.865) 22.485 1.754 ( -4.006 -11.051 -9.841) 15.330 1.888 ( 5.583 -14.831 -0.128) 15.848 2.024 ( -4.906 -2.921 9.036) 10.689 2.144 ( -8.740 -9.418 3.658) 13.359 2.234 ( -3.723 -3.475 -8.431) 9.850 2.373 ( 2.776 -8.852 3.373) 9.871 2.504 ( 3.946 -2.807 -4.733) 6.772 2.696 ( -3.517 -1.662 -6.147) 7.274 2.752 ( 4.554 -4.156 3.862) 7.275 2.810 ( 4.551 -5.461 -4.518) 8.423 2.995 ( 0.029 -1.960 -2.858) 3.466 3.202 ( 1.590 -4.070 7.176) 8.402 3.262 ( 2.423 6.924 2.608) 7.785 3.490 ( -0.119 -0.986 2.282) 2.489 3.543 ( 0.233 -5.074 -1.513) 5.300 3.656 ( -5.005 -0.776 3.061) 5.918 3.735 ( -2.341 -1.000 3.367) 4.221 3.920 ( -1.936 2.504 -8.278) 8.863 4.011 ( 0.922 -3.971 -5.296) 6.683 4.180 ( 2.802 -2.546 1.300) 4.003 4.220 ( -0.871 -2.451 1.403) 2.956 4.495 ( -4.507 -1.143 -1.695) 4.949 4.534 ( 2.170 -2.038 -5.117) 5.920 4.824 ( 4.879 0.430 1.023) 5.003 4.928 ( -3.240 -1.228 -3.658) 5.039 5.073 ( 2.322 4.382 5.797) 7.629 5.320 ( 2.429 1.910 5.311) 6.144 5.342 ( -5.139 2.872 -2.418) 6.364 5.431 ( -5.257 0.299 9.747) 11.079 5.631 ( -0.052 -0.107 -5.966) 5.967 5.732 ( 2.534 4.737 6.964) 8.796 5.764 ( 3.952 3.305 -6.034) 7.934 5.831 ( 4.522 3.641 1.699) 6.049 6.101 ( 5.146 4.061 2.254) 6.932 6.159 ( -6.198 3.796 2.232) 7.603 6.381 ( -0.557 -6.925 2.627) 7.427 6.500 ( 4.125 3.762 7.394) 9.265 6.575 ( -1.480 -2.531 -4.893) 5.704 6.942 ( -3.536 4.511 -11.188) 12.570 7.607 ( -1.163 5.286 3.986) 6.722 7.766 ( 1.568 5.669 -4.132) 7.188 7.925 ( 0.510 1.032 2.672) 2.910 7.994 ( -0.588 5.087 0.327) 5.132 8.111 ( 1.289 -1.044 0.852) 1.865 8.124 ( 2.469 -2.413 0.552) 3.496 8.283 ( 1.916 -0.727 3.919) 4.423 8.380 ( -6.805 3.786 1.529) 7.936 8.929 ( 2.238 -10.914 14.259) 18.095 9.082 ( -2.141 -5.464 -2.081) 6.227 9.258 ( -0.988 -8.238 -7.154) 10.955 9.782 ( -2.142 -11.856 -20.803) 24.040 9.957 ( 1.740 6.264 4.744) 8.048 10.143 ( 0.264 5.491 -4.256) 6.952 10.581 ( -0.947 -1.108 5.724) 5.906 10.659 ( 0.358 -3.347 -3.188) 4.636 10.759 ( 5.121 -1.721 -1.285) 5.553 10.938 ( -4.791 -3.680 2.235) 6.441 11.056 ( 6.994 -6.793 -1.233) 9.828 11.158 ( -5.136 -7.432 -8.821) 12.626 11.728 ( -4.897 0.084 9.219) 10.440 11.761 ( -0.516 8.143 5.501) 9.840 11.833 ( 1.719 7.519 3.767) 8.584 11.972 ( -1.750 0.676 4.458) 4.837 12.308 ( -2.676 -0.464 -8.056) 8.502 12.400 ( 6.372 6.853 -7.051) 11.716 12.753 ( -4.775 6.753 6.239) 10.360 12.841 ( 0.175 4.974 -1.286) 5.141 12.969 ( 0.237 3.741 -1.522) 4.046 13.263 ( -0.392 2.221 -9.731) 9.989 13.611 ( 2.615 -6.347 2.118) 7.184 13.655 ( 1.109 -1.697 -0.043) 2.028 14.028 ( 0.485 0.222 3.351) 3.393 14.104 ( 0.697 -0.247 0.630) 0.971 14.548 ( 0.217 -11.229 6.124) 12.792 14.744 ( -2.190 -13.579 -3.124) 14.105 17.218 ( -1.078 18.305 6.699) 19.522 17.433 ( 4.875 12.434 -2.214) 13.538 17.750 ( -1.997 -1.081 7.480) 7.817 18.029 ( 3.347 -0.946 -5.639) 6.625 20.765 ( -3.242 0.820 5.248) 6.223 21.106 ( 3.651 2.472 -8.837) 9.876 21.421 ( -0.390 -0.540 1.668) 1.796 21.535 ( -4.597 -1.390 -3.378) 5.872 21.698 ( 1.274 -2.390 0.391) 2.737 21.919 ( -6.341 -0.098 -9.681) 11.574 22.836 ( 1.189 -1.527 7.152) 7.409 23.007 ( 3.579 -5.101 0.837) 6.288 23.232 ( 1.609 -7.547 7.532) 10.783 23.377 ( 0.405 -6.239 5.028) 8.023 23.590 ( 0.892 -2.010 -6.004) 6.394 23.647 ( -2.455 -2.215 -5.255) 6.209 23.919 ( 0.621 1.712 3.233) 3.711 23.952 ( 0.176 0.568 1.365) 1.489 24.185 ( -0.158 4.916 8.922) 10.188 24.612 ( 1.541 14.948 -10.393) 18.271 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -6.338 -6.226 9.387) 12.925 1.875 ( -5.141 -9.093 0.315) 10.450 1.945 ( -9.937 -0.294 -4.690) 10.992 2.202 ( 1.994 -11.085 5.010) 12.327 2.319 ( -2.520 -10.841 -1.649) 11.252 2.362 ( 7.120 -6.578 -2.512) 10.014 2.498 ( -0.139 -3.494 -2.084) 4.071 2.621 ( 4.574 -2.454 -4.691) 6.996 2.659 ( 2.100 -4.437 3.092) 5.802 2.865 ( 3.989 -3.844 2.642) 6.138 2.976 ( 1.297 -6.394 -6.707) 9.357 3.036 ( 1.526 -1.629 -4.103) 4.670 3.170 ( 2.801 4.025 4.875) 6.915 3.264 ( -0.739 -1.156 -1.252) 1.858 3.516 ( 1.771 2.088 4.903) 5.615 3.598 ( -6.764 0.309 1.005) 6.845 3.668 ( -1.496 -1.360 3.159) 3.751 3.770 ( 3.152 -1.215 -3.500) 4.864 3.814 ( 2.044 -1.587 -4.418) 5.120 4.027 ( 2.387 1.371 -6.370) 6.939 4.215 ( -7.055 0.379 3.250) 7.777 4.247 ( -7.829 -5.814 1.935) 9.942 4.493 ( 4.015 0.950 -0.549) 4.163 4.573 ( 1.565 -2.922 -2.974) 4.453 4.894 ( -4.049 -2.672 -3.108) 5.761 4.946 ( 10.281 -0.901 0.559) 10.335 5.086 ( 3.486 -0.694 7.427) 8.234 5.235 ( -5.364 0.978 -3.401) 6.426 5.371 ( 0.872 -0.447 4.903) 5.000 5.411 ( -6.404 1.923 7.858) 10.318 5.577 ( -2.293 1.851 -7.639) 8.187 5.616 ( -2.671 6.339 -0.849) 6.931 5.697 ( 1.565 3.578 5.586) 6.816 5.812 ( 3.019 3.171 -2.803) 5.199 6.017 ( -2.201 3.316 0.826) 4.065 6.162 ( 6.197 0.586 -0.255) 6.229 6.413 ( -3.561 3.947 0.664) 5.357 6.538 ( 3.724 0.717 -2.546) 4.568 6.595 ( 3.376 -1.243 7.768) 8.561 6.798 ( -3.823 -0.021 -9.055) 9.829 7.561 ( 1.397 1.616 2.392) 3.207 7.662 ( 1.112 3.630 -4.654) 6.006 7.822 ( -4.617 6.081 2.365) 7.993 7.896 ( -0.942 4.576 1.607) 4.940 8.146 ( 0.757 1.230 0.209) 1.459 8.204 ( 2.806 -0.863 -0.536) 2.984 8.292 ( 0.005 -1.725 4.588) 4.901 8.353 ( 0.213 -1.914 -0.020) 1.926 9.049 ( -10.958 -3.394 4.768) 12.423 9.224 ( 6.814 -5.913 2.546) 9.374 9.461 ( 2.982 -9.706 6.182) 11.888 9.750 ( -9.272 3.077 -9.493) 13.622 9.853 ( -0.828 6.104 4.251) 7.484 10.139 ( 11.930 -5.780 -16.196) 20.930 10.603 ( -1.168 -0.804 2.436) 2.819 10.735 ( 3.522 -4.175 -3.816) 6.664 10.801 ( 2.792 1.956 1.024) 3.559 10.954 ( -0.010 -0.099 -3.393) 3.395 11.152 ( -5.918 -6.527 0.599) 8.831 11.353 ( 5.875 -8.489 -1.713) 10.465 11.602 ( -2.181 7.546 2.534) 8.253 11.631 ( -3.164 3.582 2.991) 5.638 11.849 ( -2.267 -2.236 7.161) 7.838 11.954 ( -0.348 1.769 1.055) 2.089 12.301 ( -1.601 -3.631 -5.596) 6.860 12.320 ( 3.611 3.148 -1.750) 5.100 12.645 ( -2.907 4.667 5.856) 8.033 12.746 ( 4.463 5.458 -0.833) 7.100 12.938 ( -2.145 -0.815 1.520) 2.753 13.186 ( -0.560 -0.823 -9.984) 10.033 13.653 ( -5.940 0.646 2.445) 6.456 13.715 ( -1.673 -3.427 -0.849) 3.906 14.045 ( 2.639 1.109 2.380) 3.723 14.153 ( 7.220 -0.981 -0.458) 7.301 14.732 ( -8.477 -8.567 4.796) 12.971 14.995 ( 10.948 -10.219 -1.605) 15.062 16.858 ( -10.821 16.706 5.949) 20.774 17.225 ( 6.437 11.670 -6.249) 14.720 17.789 ( -0.865 -0.062 5.995) 6.057 18.036 ( 3.053 -0.221 -6.125) 6.847 20.762 ( -3.465 -0.274 6.862) 7.692 21.054 ( 3.505 1.030 -8.152) 8.933 21.461 ( 0.639 -0.679 2.721) 2.876 21.502 ( -2.436 -0.677 -2.368) 3.464 21.760 ( 0.089 -2.541 1.853) 3.146 21.857 ( -0.775 -1.350 -4.366) 4.635 22.905 ( -1.449 -1.482 6.274) 6.607 23.121 ( 3.246 -4.571 -4.830) 7.400 23.421 ( 2.930 -4.910 7.051) 9.078 23.491 ( -2.718 -5.123 0.788) 5.853 23.615 ( 1.896 -1.913 -2.285) 3.532 23.655 ( -0.037 -3.077 -4.370) 5.344 23.902 ( -0.401 2.148 2.866) 3.604 23.946 ( 0.590 0.724 -0.005) 0.934 24.120 ( -0.345 5.263 4.762) 7.106 24.276 ( -2.779 13.927 -6.568) 15.647 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -6.655 5.880 13.895) 16.490 1.904 ( -5.605 -2.150 2.396) 6.464 1.989 ( 0.165 -3.935 0.570) 3.980 2.341 ( -0.965 -2.014 -5.702) 6.124 2.422 ( 3.138 3.123 -1.915) 4.824 2.445 ( 0.401 -2.009 -0.018) 2.049 2.554 ( 3.474 -4.949 -1.480) 6.225 2.682 ( 7.073 -4.788 -1.748) 8.718 2.847 ( -2.848 -6.426 5.187) 8.735 2.875 ( -6.096 3.884 -8.398) 11.081 2.973 ( 2.316 0.676 -0.162) 2.418 3.101 ( 3.943 -2.499 1.230) 4.828 3.146 ( -1.123 -2.193 -5.247) 5.797 3.294 ( -0.764 0.981 2.671) 2.947 3.434 ( -6.085 3.954 -2.032) 7.536 3.594 ( -3.436 4.774 2.856) 6.538 3.654 ( 10.763 -3.313 2.219) 11.478 3.792 ( 2.858 3.261 0.775) 4.405 3.911 ( 6.351 -2.102 -0.956) 6.758 3.960 ( 4.322 3.425 -6.808) 8.761 4.126 ( -8.878 2.876 6.641) 11.454 4.317 ( -4.953 -5.392 5.358) 9.073 4.510 ( 3.079 -0.106 -0.888) 3.206 4.627 ( -1.090 -2.517 -3.915) 4.780 4.856 ( -3.768 -0.094 -6.336) 7.372 4.990 ( 7.024 6.410 2.184) 9.757 5.174 ( -3.304 -2.597 -0.429) 4.225 5.204 ( 0.042 -2.964 3.239) 4.390 5.337 ( -7.446 1.852 5.985) 9.731 5.413 ( -3.306 1.063 -3.485) 4.920 5.452 ( 3.166 0.120 2.284) 3.906 5.567 ( 0.263 0.297 -0.805) 0.897 5.698 ( -2.213 0.939 4.788) 5.357 5.760 ( 1.146 0.853 -2.638) 3.001 5.953 ( -0.210 2.085 -1.861) 2.803 6.196 ( 5.627 1.685 -1.824) 6.150 6.301 ( -2.035 4.646 1.506) 5.291 6.481 ( 0.183 0.671 -6.110) 6.149 6.721 ( 6.244 -1.440 8.365) 10.537 6.772 ( -0.635 -1.976 -5.162) 5.564 7.582 ( -0.733 -0.584 -2.039) 2.244 7.609 ( 0.869 -0.330 0.193) 0.950 7.717 ( -3.369 1.183 0.264) 3.581 7.854 ( 0.937 0.725 2.343) 2.626 8.056 ( -4.179 3.175 -2.622) 5.867 8.262 ( 3.919 -1.559 2.240) 4.775 8.360 ( -0.884 0.078 -1.941) 2.134 8.404 ( 1.026 -3.831 3.550) 5.323 9.027 ( -10.315 -2.490 3.509) 11.176 9.423 ( 8.450 -6.237 4.788) 11.542 9.501 ( -10.209 7.668 -4.075) 13.403 9.635 ( 2.203 -2.578 4.955) 6.004 9.795 ( -3.626 0.312 2.190) 4.247 10.282 ( 14.771 -3.008 -10.847) 18.571 10.611 ( -1.608 -0.692 -2.962) 3.440 10.760 ( 3.334 4.702 3.021) 6.508 10.803 ( 1.097 -3.026 -6.921) 7.633 10.934 ( 3.444 1.183 -1.852) 4.086 11.188 ( -4.877 -1.399 1.444) 5.275 11.343 ( -2.876 6.765 -0.822) 7.397 11.538 ( -3.997 -2.282 5.095) 6.866 11.724 ( 6.853 -4.658 -2.035) 8.532 11.853 ( -4.163 -0.342 -0.316) 4.189 11.969 ( -0.201 -2.247 4.356) 4.905 12.273 ( -0.119 3.283 2.079) 3.887 12.368 ( 0.648 -3.488 1.387) 3.809 12.608 ( -0.977 -0.326 2.176) 2.407 12.722 ( 8.099 1.410 -4.188) 9.226 12.979 ( -5.970 -6.117 4.502) 9.660 13.190 ( -0.920 -4.670 -7.267) 8.686 13.559 ( -8.862 3.287 3.403) 10.046 13.718 ( -3.485 -0.561 -2.292) 4.209 14.050 ( 4.913 3.069 0.756) 5.842 14.220 ( 6.677 0.592 -0.915) 6.765 14.784 ( -10.491 -3.853 2.068) 11.365 15.256 ( 13.552 -5.607 0.677) 14.682 16.526 ( -12.389 9.937 5.463) 16.795 17.078 ( 7.927 5.654 -7.800) 12.476 17.789 ( -1.642 1.949 4.571) 5.233 18.026 ( 3.736 0.786 -6.076) 7.176 20.785 ( -4.322 -1.676 6.342) 7.856 21.049 ( 4.030 -1.133 -6.084) 7.385 21.440 ( -3.271 0.377 -1.119) 3.477 21.516 ( 2.658 0.683 1.899) 3.337 21.846 ( 0.834 -5.275 2.883) 6.069 21.887 ( 2.209 -1.639 -0.094) 2.752 22.916 ( -4.790 0.709 4.098) 6.343 23.145 ( 0.756 0.781 -8.202) 8.273 23.469 ( -4.420 0.096 0.054) 4.421 23.539 ( -1.468 -0.095 -0.159) 1.479 23.665 ( 1.740 -2.242 0.629) 2.907 23.753 ( 5.472 -5.701 -2.095) 8.175 23.863 ( -0.377 2.309 3.033) 3.830 23.931 ( 1.024 2.391 -1.148) 2.843 24.010 ( -3.707 5.552 -1.019) 6.753 24.087 ( 2.621 2.313 2.717) 4.427 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 8.836 -0.000 1.930) 9.044 1.182 ( -3.817 0.000 -8.705) 9.505 1.629 ( 14.658 -0.000 3.414) 15.050 1.811 ( -8.568 0.000 0.902) 8.615 2.019 ( -21.216 0.000 -7.601) 22.537 2.034 ( -3.907 0.000 -8.669) 9.509 2.349 ( 5.596 -0.000 -0.021) 5.596 2.375 ( -0.697 0.000 0.547) 0.886 2.602 ( 7.241 -0.000 8.879) 11.457 2.730 ( -6.190 0.000 -4.933) 7.915 2.746 ( 5.775 -0.000 -1.336) 5.927 2.946 ( -1.633 0.000 -1.542) 2.247 3.179 ( -3.055 0.000 4.029) 5.056 3.313 ( -4.023 0.000 -1.784) 4.401 3.369 ( 8.474 -0.000 2.814) 8.929 3.533 ( -1.353 0.000 -0.394) 1.409 3.628 ( 1.145 -0.000 -5.996) 6.104 3.716 ( -8.350 0.000 -7.766) 11.403 3.922 ( -1.390 0.000 1.007) 1.716 3.992 ( 2.676 -0.000 7.127) 7.613 4.110 ( -6.979 0.000 1.352) 7.109 4.135 ( 15.702 -0.000 6.543) 17.011 4.479 ( -6.905 0.000 0.371) 6.915 4.506 ( 1.986 -0.000 -3.671) 4.173 4.850 ( 2.693 -0.000 -3.630) 4.520 4.935 ( -3.134 0.000 -3.528) 4.719 5.175 ( 0.334 -0.000 5.397) 5.407 5.383 ( -3.703 0.000 7.353) 8.233 5.454 ( -1.209 0.000 -3.285) 3.500 5.495 ( 0.037 -0.000 2.906) 2.907 5.601 ( 2.860 -0.000 -3.542) 4.553 5.728 ( 1.802 -0.000 -6.249) 6.504 5.849 ( 4.540 -0.000 11.975) 12.806 6.033 ( 2.050 -0.000 2.360) 3.126 6.132 ( -2.973 0.000 1.862) 3.508 6.157 ( 5.787 -0.000 -0.675) 5.826 6.303 ( -12.483 0.000 1.059) 12.528 6.502 ( 3.155 -0.000 -6.696) 7.402 6.584 ( 3.746 -0.000 9.464) 10.178 7.070 ( 4.083 -0.000 -12.807) 13.442 7.774 ( -5.509 0.000 2.777) 6.169 7.868 ( 0.995 -0.000 1.197) 1.557 7.913 ( 5.301 -0.000 1.006) 5.396 7.929 ( -1.619 0.000 -3.434) 3.796 8.050 ( -5.164 0.000 -0.177) 5.167 8.112 ( 6.192 -0.000 -2.708) 6.758 8.295 ( 3.710 -0.000 5.527) 6.657 8.477 ( -4.345 0.000 1.019) 4.463 8.683 ( -1.482 0.000 15.435) 15.506 8.903 ( -3.233 0.000 -3.340) 4.649 9.107 ( -3.757 0.000 -10.648) 11.291 9.452 ( 1.949 -0.000 -21.325) 21.414 10.129 ( 0.108 -0.000 9.259) 9.259 10.271 ( -3.329 0.000 -0.454) 3.360 10.523 ( 0.395 -0.000 3.213) 3.237 10.582 ( -3.806 0.000 2.048) 4.322 10.761 ( 3.786 -0.000 -4.480) 5.866 10.844 ( -4.592 0.000 1.380) 4.795 10.861 ( 9.996 -0.000 -1.867) 10.169 11.043 ( -7.581 0.000 -13.995) 15.916 11.715 ( -1.697 0.000 14.049) 14.151 11.917 ( 3.043 -0.000 5.254) 6.071 11.958 ( 0.026 -0.000 4.873) 4.873 12.117 ( 1.368 -0.000 8.271) 8.383 12.339 ( -3.957 0.000 -9.784) 10.554 12.621 ( -0.318 0.000 -12.011) 12.015 12.806 ( -4.657 0.000 1.296) 4.834 13.040 ( -0.623 0.000 10.424) 10.443 13.054 ( 5.034 -0.000 -10.294) 11.459 13.308 ( -3.553 0.000 0.274) 3.564 13.556 ( 9.579 -0.000 -0.609) 9.598 13.598 ( 1.054 -0.000 -5.803) 5.898 14.082 ( 6.516 -0.000 1.246) 6.634 14.097 ( -3.669 0.000 1.105) 3.832 14.236 ( -3.033 0.000 3.392) 4.550 14.309 ( -3.646 0.000 0.026) 3.646 17.642 ( -11.045 0.000 4.924) 12.093 17.712 ( 19.562 -0.000 3.896) 19.946 17.736 ( -5.065 0.000 8.203) 9.641 18.009 ( 4.623 -0.000 -4.827) 6.683 20.785 ( -2.412 0.000 5.043) 5.590 21.165 ( 2.935 -0.000 -8.052) 8.570 21.441 ( -2.445 0.000 -2.547) 3.531 21.476 ( -5.436 0.000 -3.832) 6.651 21.665 ( -3.185 0.000 0.435) 3.215 21.866 ( -2.478 0.000 -11.233) 11.504 22.834 ( 1.488 -0.000 3.499) 3.802 22.897 ( 1.428 -0.000 0.504) 1.514 23.032 ( -1.282 0.000 13.582) 13.642 23.238 ( 3.570 -0.000 6.990) 7.849 23.540 ( 1.460 -0.000 -7.747) 7.884 23.593 ( -3.627 0.000 -6.334) 7.299 23.957 ( 1.083 -0.000 2.672) 2.883 23.967 ( 0.125 -0.000 2.265) 2.268 24.303 ( -1.623 0.000 15.459) 15.543 24.950 ( 6.932 -0.000 -13.833) 15.473 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.124 -16.592 4.584) 17.495 1.334 ( -3.988 -18.825 -13.602) 23.565 1.785 ( -19.535 -5.305 -7.598) 21.621 1.794 ( 1.277 -4.585 5.299) 7.122 1.930 ( 3.693 -10.560 9.445) 14.641 2.109 ( -1.333 -10.943 -2.678) 11.344 2.323 ( -4.577 3.179 0.397) 5.587 2.404 ( -0.673 -3.895 -3.040) 4.987 2.625 ( -2.246 -1.153 -2.451) 3.519 2.731 ( 5.644 -1.440 5.235) 7.832 2.851 ( 10.243 -1.661 -2.636) 10.706 2.922 ( -2.147 -2.384 -6.715) 7.442 3.219 ( 3.024 -0.299 6.825) 7.471 3.307 ( -3.783 -5.422 -2.925) 7.229 3.423 ( 1.713 0.763 2.877) 3.434 3.493 ( 0.620 2.080 -1.595) 2.693 3.594 ( -9.349 -3.927 -1.634) 10.271 3.736 ( 1.231 -3.770 0.044) 3.966 3.862 ( -1.898 2.233 2.095) 3.603 4.012 ( 2.267 2.997 -3.593) 5.199 4.119 ( -4.901 -3.618 5.942) 8.509 4.282 ( 9.286 3.026 0.451) 9.777 4.444 ( 1.610 -1.944 -0.415) 2.558 4.503 ( 1.144 -0.132 -2.760) 2.991 4.869 ( 5.142 -0.396 0.305) 5.166 4.878 ( -3.303 0.550 -4.953) 5.979 5.170 ( -1.253 2.116 4.529) 5.154 5.351 ( -4.167 1.486 -1.838) 4.791 5.417 ( 0.127 2.822 6.714) 7.284 5.464 ( -1.627 3.172 3.262) 4.832 5.607 ( 1.608 0.877 -4.026) 4.423 5.748 ( 3.671 -3.247 -7.105) 8.631 5.874 ( -0.947 5.331 7.521) 9.268 5.953 ( -1.215 5.636 -0.804) 5.822 6.145 ( -10.952 1.574 -2.492) 11.341 6.202 ( -2.707 -1.115 5.900) 6.586 6.278 ( 9.874 -5.165 4.196) 11.907 6.520 ( 5.126 -0.715 -5.951) 7.887 6.636 ( 1.539 1.431 10.170) 10.385 6.945 ( -3.184 5.934 -14.703) 16.172 7.710 ( -2.253 4.365 4.953) 6.976 7.867 ( 2.754 4.647 -3.111) 6.233 7.908 ( -2.406 -2.954 0.938) 3.924 7.982 ( 2.486 -2.670 -1.869) 4.099 8.048 ( -4.827 -4.421 0.869) 6.603 8.150 ( 2.709 0.697 -1.164) 3.030 8.354 ( 3.491 0.997 5.608) 6.680 8.400 ( -4.645 2.869 -0.363) 5.471 8.841 ( -1.316 -6.899 15.016) 16.577 8.956 ( 4.230 -6.453 1.149) 7.801 9.079 ( 1.115 -4.715 -8.394) 9.692 9.467 ( 5.891 -9.746 -21.720) 24.525 10.116 ( -1.203 5.386 8.432) 10.078 10.194 ( -5.141 3.458 -2.231) 6.586 10.576 ( 1.843 -2.700 3.893) 5.084 10.588 ( -2.048 -1.277 0.838) 2.555 10.771 ( 2.336 -2.501 -1.227) 3.635 10.826 ( -4.220 -1.048 0.316) 4.360 10.948 ( -4.494 -3.139 -11.425) 12.672 11.008 ( 9.211 -6.269 -0.856) 11.174 11.769 ( -2.131 0.684 12.707) 12.903 11.909 ( -1.422 5.423 4.670) 7.297 11.982 ( 2.397 0.727 1.514) 2.927 12.059 ( -3.016 9.100 9.346) 13.389 12.235 ( -4.720 0.633 -9.852) 10.942 12.509 ( 2.176 4.432 -11.102) 12.150 12.769 ( -7.241 0.245 2.654) 7.716 12.982 ( 3.160 7.216 -2.079) 8.147 13.042 ( 0.939 2.991 4.298) 5.320 13.287 ( -0.055 2.681 -5.515) 6.132 13.545 ( 1.233 -1.301 -1.408) 2.280 13.635 ( 3.384 -0.329 -2.693) 4.337 14.066 ( 1.455 -0.320 2.313) 2.751 14.104 ( -0.150 -0.298 0.249) 0.417 14.345 ( -3.672 -9.227 2.922) 10.352 14.499 ( 8.956 -14.130 0.219) 16.731 17.448 ( -14.430 10.141 2.309) 17.788 17.711 ( -2.799 5.755 6.258) 8.951 17.802 ( 13.592 5.175 2.783) 14.808 18.019 ( 4.256 0.666 -4.972) 6.579 20.788 ( -2.561 0.936 7.090) 7.596 21.125 ( 3.343 1.595 -10.995) 11.602 21.409 ( -2.048 -0.623 1.568) 2.653 21.442 ( -3.186 -1.701 -2.195) 4.227 21.671 ( -2.056 -2.462 1.572) 3.572 21.826 ( 0.249 -0.919 -6.552) 6.620 22.853 ( 0.147 -0.251 3.309) 3.321 22.939 ( 0.731 -3.768 -1.759) 4.222 23.159 ( 0.785 -5.968 12.236) 13.636 23.329 ( 2.162 -2.946 4.148) 5.528 23.534 ( 2.125 -1.630 -5.281) 5.921 23.544 ( -3.911 -2.103 -6.826) 8.143 23.967 ( 0.463 1.058 1.876) 2.203 23.972 ( 0.479 0.538 1.355) 1.534 24.324 ( -2.828 4.017 13.793) 14.642 24.817 ( 3.617 10.988 -14.702) 18.708 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -6.615 -18.542 0.199) 19.688 1.568 ( -3.498 -16.268 -3.131) 16.932 1.806 ( -14.854 -9.710 5.331) 18.530 1.906 ( -6.905 -9.662 0.791) 11.902 2.216 ( 5.709 -6.024 8.460) 11.852 2.268 ( 2.102 -8.968 1.975) 9.420 2.354 ( -3.176 -8.487 -0.838) 9.101 2.484 ( 2.536 -8.281 -8.858) 12.388 2.649 ( 3.047 -0.848 -1.741) 3.610 2.826 ( 2.633 -5.749 -2.378) 6.756 2.910 ( 5.708 1.078 -1.251) 5.942 2.995 ( 6.563 -5.765 -4.023) 9.618 3.256 ( -0.648 2.120 1.024) 2.442 3.306 ( 0.770 3.256 0.010) 3.345 3.445 ( -3.551 -4.362 1.199) 5.750 3.591 ( 2.446 -9.151 0.372) 9.480 3.638 ( -7.724 -8.120 1.789) 11.349 3.712 ( 2.619 6.208 8.534) 10.873 3.832 ( -0.044 5.028 -3.772) 6.285 3.995 ( 2.332 -3.681 -0.524) 4.389 4.168 ( -3.846 -2.431 2.418) 5.153 4.173 ( -3.249 5.753 -3.468) 7.462 4.502 ( 0.856 -1.787 -3.019) 3.611 4.564 ( 7.912 -0.934 -0.550) 7.986 4.825 ( -2.792 -0.232 -3.522) 4.501 4.961 ( 7.622 -2.958 1.116) 8.252 5.130 ( -3.710 1.457 2.789) 4.865 5.288 ( 3.236 3.577 -0.590) 4.860 5.394 ( -2.092 2.422 2.617) 4.134 5.436 ( -3.417 0.482 10.430) 10.986 5.553 ( -1.669 2.399 -4.812) 5.630 5.706 ( -4.558 7.109 -2.756) 8.883 5.807 ( 0.031 2.382 1.625) 2.884 5.867 ( 3.624 0.655 -3.917) 5.377 5.986 ( -9.734 2.327 -3.962) 10.763 6.255 ( 1.056 0.418 7.099) 7.189 6.435 ( 4.897 1.127 0.863) 5.099 6.550 ( 3.020 -0.966 -2.565) 4.078 6.698 ( 5.519 -0.102 9.197) 10.726 6.721 ( -5.075 2.665 -11.697) 13.026 7.649 ( 1.650 4.319 3.552) 5.830 7.763 ( 2.801 6.635 -3.789) 8.138 7.878 ( -7.220 1.534 1.152) 7.471 7.952 ( -3.313 5.288 -0.373) 6.252 8.143 ( 1.872 -5.880 -0.261) 6.176 8.178 ( 2.569 -0.830 -1.139) 2.930 8.285 ( -3.928 1.575 -0.490) 4.260 8.408 ( 4.056 2.226 5.980) 7.561 8.929 ( -7.535 -3.455 4.425) 9.396 9.136 ( 2.015 -8.549 0.359) 8.790 9.283 ( 5.987 -10.075 2.080) 11.903 9.653 ( 8.184 -8.377 -10.192) 15.525 9.997 ( -4.473 7.975 4.511) 10.196 10.106 ( 5.767 -0.394 -6.776) 8.907 10.582 ( -1.702 -0.393 -1.553) 2.337 10.677 ( 2.712 -3.297 2.805) 5.108 10.817 ( -5.091 -2.522 -0.148) 5.684 10.879 ( 0.277 -5.173 -2.428) 5.722 10.972 ( 2.305 -5.703 -2.652) 6.699 11.232 ( 7.682 -9.822 -0.431) 12.477 11.700 ( -6.639 8.881 2.999) 11.486 11.780 ( -4.821 7.012 7.346) 11.241 11.910 ( 0.001 5.352 6.995) 8.808 11.993 ( 0.668 1.566 0.606) 1.807 12.181 ( -2.518 -3.207 -5.662) 6.977 12.398 ( 2.357 3.710 -6.661) 7.981 12.720 ( -5.417 1.356 4.799) 7.363 12.852 ( 1.293 7.516 -0.460) 7.640 13.007 ( 2.448 4.256 4.251) 6.494 13.171 ( 1.470 4.477 -8.411) 9.641 13.606 ( -2.039 -5.067 -2.437) 5.981 13.627 ( -3.568 0.408 0.346) 3.608 14.096 ( 2.090 0.330 1.231) 2.448 14.168 ( 6.182 -3.185 -0.391) 6.966 14.510 ( -4.759 -10.050 2.069) 11.311 14.876 ( 14.185 -13.974 0.899) 19.932 17.081 ( -15.137 15.716 1.018) 21.844 17.499 ( -1.432 15.201 1.408) 15.333 17.834 ( 5.061 1.759 2.860) 6.073 18.014 ( 2.260 -0.672 -6.264) 6.693 20.781 ( -3.119 1.414 7.912) 8.622 21.064 ( 3.749 1.591 -9.727) 10.545 21.413 ( -4.009 -1.522 -0.715) 4.347 21.492 ( 3.125 -2.368 4.589) 6.036 21.695 ( -4.469 -2.793 -1.340) 5.438 21.861 ( 7.301 -0.931 1.501) 7.511 22.886 ( -1.830 -1.486 3.790) 4.463 23.016 ( 0.937 -5.427 -4.875) 7.355 23.369 ( 2.542 -7.528 8.471) 11.614 23.399 ( -0.639 -2.910 -1.374) 3.281 23.538 ( -2.780 -4.412 -6.658) 8.457 23.584 ( 2.850 -2.719 -0.093) 3.941 23.948 ( -0.465 1.618 0.817) 1.871 23.971 ( 1.195 0.988 0.814) 1.751 24.258 ( -3.078 6.696 9.173) 11.767 24.484 ( -2.832 15.343 -11.280) 19.253 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -8.629 -14.054 2.016) 16.614 1.765 ( -14.599 -3.569 10.452) 18.307 1.852 ( 1.245 -7.880 8.637) 11.758 2.172 ( 0.236 -15.877 -2.121) 16.020 2.338 ( -0.600 -3.657 -5.568) 6.689 2.439 ( 0.335 -6.354 -2.287) 6.761 2.466 ( 2.168 -4.095 -1.994) 5.044 2.587 ( 4.112 -3.805 -5.123) 7.592 2.745 ( 0.885 -5.609 3.202) 6.519 2.893 ( 4.244 0.488 -5.816) 7.216 2.979 ( 2.013 -5.331 0.181) 5.702 3.125 ( 5.673 2.568 0.758) 6.273 3.155 ( -0.645 3.259 -5.663) 6.565 3.266 ( -0.990 -1.634 2.353) 3.031 3.499 ( -4.234 -1.260 0.964) 4.521 3.555 ( -1.256 5.896 -0.649) 6.063 3.745 ( 4.835 -2.771 5.196) 7.620 3.813 ( 2.812 -5.979 2.503) 7.065 3.883 ( 3.739 -6.565 4.548) 8.819 3.989 ( 2.335 3.361 -10.770) 11.522 4.130 ( -3.624 -1.100 1.959) 4.264 4.161 ( -5.926 -2.760 10.931) 12.737 4.540 ( -2.588 -4.319 -4.657) 6.859 4.584 ( 5.891 3.341 -1.932) 7.042 4.785 ( -1.941 -0.092 -4.358) 4.772 5.066 ( -4.098 -3.241 -2.755) 5.907 5.117 ( 4.558 0.524 0.444) 4.609 5.252 ( 2.923 3.854 5.946) 7.665 5.356 ( -6.980 3.432 5.929) 9.780 5.395 ( -1.986 0.287 -3.227) 3.800 5.494 ( -0.266 3.260 -1.594) 3.639 5.564 ( -1.790 0.379 3.763) 4.185 5.760 ( 0.301 2.855 2.930) 4.102 5.812 ( -5.109 5.108 -2.369) 7.603 5.936 ( 5.457 -2.183 -8.146) 10.045 6.267 ( 2.350 2.681 4.308) 5.592 6.366 ( -3.088 3.598 -2.318) 5.277 6.479 ( -2.886 2.562 -3.484) 5.199 6.707 ( 1.474 -2.419 -3.676) 4.640 6.826 ( 8.079 -0.304 7.552) 11.063 7.601 ( 1.838 3.506 -2.416) 4.638 7.657 ( 2.509 4.519 0.021) 5.169 7.754 ( -4.522 5.227 0.993) 6.983 7.858 ( -4.799 0.667 1.117) 4.972 8.104 ( 0.201 5.160 -4.790) 7.043 8.246 ( 1.451 -2.692 -0.351) 3.078 8.324 ( -0.855 -4.524 2.696) 5.335 8.416 ( 2.175 2.368 4.019) 5.147 8.937 ( -5.660 -2.026 3.115) 6.771 9.338 ( -1.106 -9.825 0.533) 9.901 9.457 ( 4.539 -4.087 -3.808) 7.197 9.632 ( -5.386 4.029 5.059) 8.416 9.866 ( -2.808 5.356 3.515) 6.995 10.287 ( 18.770 -7.612 -8.622) 22.013 10.561 ( -2.651 -0.661 -3.248) 4.244 10.737 ( -0.683 -0.463 0.537) 0.984 10.836 ( -0.401 -2.131 -1.404) 2.583 10.937 ( 3.747 -2.976 -4.631) 6.659 11.084 ( -0.645 -3.246 0.357) 3.329 11.387 ( -3.496 0.519 3.833) 5.213 11.547 ( -3.814 2.403 -1.079) 4.635 11.685 ( 4.195 -0.306 2.064) 4.685 11.876 ( -1.407 3.103 3.054) 4.575 11.983 ( 0.291 0.521 4.394) 4.434 12.251 ( 1.768 -6.067 -1.876) 6.592 12.357 ( 1.437 0.403 0.412) 1.548 12.658 ( -2.162 4.803 4.267) 6.778 12.750 ( -3.970 0.874 -1.956) 4.511 12.964 ( 4.468 4.837 0.419) 6.598 13.111 ( 1.512 -0.894 -3.588) 3.995 13.565 ( -5.229 2.124 1.392) 5.813 13.650 ( -2.233 -2.716 -2.472) 4.298 14.118 ( 2.513 -0.036 -0.389) 2.543 14.256 ( 3.968 -0.933 -0.648) 4.128 14.638 ( -3.413 -5.978 1.509) 7.047 15.234 ( 13.861 -9.930 1.491) 17.116 16.662 ( -15.175 14.399 2.300) 21.046 17.230 ( -0.361 10.237 -3.882) 10.954 17.838 ( 0.217 1.966 2.769) 3.403 18.018 ( 2.806 -1.048 -6.284) 6.961 20.770 ( -3.861 0.567 6.375) 7.475 21.039 ( 3.899 -0.017 -6.383) 7.480 21.402 ( -2.983 -0.749 0.108) 3.077 21.559 ( 1.978 0.209 2.519) 3.210 21.740 ( -1.669 -5.717 0.101) 5.956 21.957 ( 9.939 1.279 5.404) 11.385 22.891 ( -4.861 -0.056 0.885) 4.941 23.087 ( 0.980 -3.556 -6.349) 7.343 23.410 ( -2.551 -1.664 -3.601) 4.716 23.507 ( -1.252 -3.274 2.325) 4.206 23.621 ( 2.085 -5.525 -1.175) 6.021 23.675 ( 3.523 -4.410 0.709) 5.689 23.913 ( -0.570 1.837 0.916) 2.130 23.967 ( 1.567 0.954 0.019) 1.835 24.096 ( -5.719 8.631 -2.129) 10.570 24.205 ( -1.597 7.508 2.589) 8.100 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -10.942 0.000 -10.562) 15.209 1.079 ( 9.649 -0.000 4.871) 10.809 1.464 ( -25.929 0.000 -10.750) 28.069 1.802 ( -3.371 0.000 7.869) 8.560 1.908 ( -0.124 0.000 1.419) 1.424 1.976 ( 12.111 -0.000 6.612) 13.798 2.317 ( -11.560 0.000 0.445) 11.569 2.343 ( -0.530 0.000 -2.662) 2.715 2.558 ( -9.730 0.000 4.212) 10.603 2.797 ( 2.726 -0.000 4.527) 5.285 2.812 ( -1.312 0.000 -9.416) 9.507 2.900 ( 11.671 -0.000 -2.618) 11.961 3.253 ( 2.905 -0.000 6.073) 6.732 3.274 ( 1.462 -0.000 -1.123) 1.844 3.431 ( -9.150 0.000 -4.931) 10.394 3.439 ( -1.620 0.000 1.271) 2.059 3.610 ( 4.253 -0.000 -8.268) 9.297 3.639 ( 5.511 -0.000 8.030) 9.739 3.928 ( -0.176 0.000 2.673) 2.679 4.037 ( -1.221 0.000 -1.393) 1.852 4.066 ( -2.061 0.000 2.827) 3.499 4.397 ( -1.634 0.000 -1.509) 2.224 4.455 ( 10.401 -0.000 -4.682) 11.407 4.527 ( 6.929 -0.000 5.716) 8.982 4.821 ( -3.312 0.000 -4.744) 5.786 4.925 ( 6.096 -0.000 3.888) 7.230 5.186 ( -5.295 0.000 4.659) 7.053 5.305 ( -6.199 0.000 0.799) 6.250 5.486 ( 2.996 -0.000 2.750) 4.067 5.500 ( -0.924 0.000 1.267) 1.568 5.634 ( 2.026 -0.000 -2.579) 3.279 5.681 ( 1.427 -0.000 -8.203) 8.326 5.957 ( -6.252 0.000 6.317) 8.888 5.967 ( -6.126 0.000 -4.192) 7.424 6.037 ( -7.380 0.000 -5.129) 8.987 6.187 ( -3.033 0.000 9.892) 10.346 6.315 ( 9.011 -0.000 -0.241) 9.014 6.578 ( 10.804 -0.000 -1.967) 10.982 6.679 ( -4.383 0.000 9.735) 10.676 6.892 ( -5.640 0.000 -19.505) 20.304 7.786 ( 1.294 -0.000 7.562) 7.672 7.860 ( -0.262 0.000 0.132) 0.293 7.902 ( -7.085 0.000 -2.339) 7.461 7.928 ( 2.581 -0.000 -2.335) 3.481 7.995 ( 1.712 -0.000 0.254) 1.731 8.140 ( 0.033 -0.000 -3.620) 3.621 8.361 ( -5.808 0.000 -3.675) 6.873 8.443 ( 4.097 -0.000 6.931) 8.052 8.834 ( -3.277 0.000 11.780) 12.228 8.953 ( 8.641 -0.000 3.804) 9.441 9.058 ( 9.944 -0.000 -0.482) 9.955 9.322 ( 7.542 -0.000 -17.801) 19.333 10.164 ( -6.973 0.000 -1.519) 7.137 10.192 ( -4.542 0.000 8.675) 9.792 10.556 ( -1.940 0.000 0.673) 2.054 10.601 ( 2.649 -0.000 7.331) 7.795 10.707 ( -4.199 0.000 -1.737) 4.544 10.805 ( -3.332 0.000 -10.610) 11.121 10.864 ( 4.862 -0.000 0.207) 4.866 11.013 ( 7.725 -0.000 -0.937) 7.781 11.830 ( -1.113 0.000 11.800) 11.853 11.977 ( -4.847 0.000 4.433) 6.568 11.998 ( 2.664 -0.000 0.448) 2.702 12.137 ( -7.552 0.000 -8.462) 11.342 12.203 ( -2.305 0.000 9.297) 9.579 12.467 ( -2.193 0.000 -10.341) 10.571 12.747 ( -4.744 0.000 4.144) 6.299 13.025 ( 3.252 -0.000 -9.671) 10.203 13.147 ( 1.124 -0.000 8.819) 8.890 13.290 ( 1.660 -0.000 -0.478) 1.728 13.519 ( -0.057 0.000 -9.465) 9.465 13.694 ( 5.449 -0.000 -2.926) 6.185 13.985 ( -8.041 0.000 -2.437) 8.402 14.104 ( 0.574 -0.000 3.763) 3.807 14.339 ( 3.866 -0.000 2.762) 4.751 14.408 ( 13.935 -0.000 1.940) 14.070 17.408 ( -17.225 0.000 -0.620) 17.236 17.726 ( -6.342 0.000 7.172) 9.574 17.931 ( 4.344 -0.000 -5.332) 6.878 18.156 ( 17.447 -0.000 -1.946) 17.555 20.831 ( -1.249 0.000 10.889) 10.960 21.100 ( 2.593 -0.000 -12.214) 12.486 21.380 ( -2.823 0.000 1.374) 3.140 21.426 ( 0.757 -0.000 4.323) 4.389 21.626 ( -3.355 0.000 3.280) 4.692 21.804 ( 2.444 -0.000 -4.263) 4.914 22.866 ( -0.184 0.000 1.120) 1.135 22.882 ( -1.088 0.000 -1.882) 2.174 23.173 ( 0.688 -0.000 12.725) 12.743 23.329 ( 1.788 -0.000 -1.924) 2.626 23.445 ( -5.093 0.000 -7.534) 9.094 23.524 ( 3.180 -0.000 -0.467) 3.214 23.978 ( -0.473 0.000 0.390) 0.613 23.996 ( 1.098 -0.000 0.934) 1.442 24.409 ( -4.691 0.000 14.712) 15.442 24.879 ( 4.389 -0.000 -19.503) 19.990 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -12.074 -18.758 -4.917) 22.843 1.276 ( -9.305 -10.716 2.281) 14.375 1.367 ( -5.536 -17.680 -3.085) 18.782 1.841 ( -9.448 -0.988 12.533) 15.726 2.062 ( -0.331 -11.493 0.784) 11.525 2.156 ( -2.119 -6.485 1.300) 6.945 2.211 ( -2.333 -4.582 6.476) 8.269 2.373 ( 3.928 -2.332 -2.877) 5.399 2.600 ( -1.245 -6.460 3.014) 7.236 2.763 ( 0.304 -1.457 -4.449) 4.691 2.872 ( 1.270 -5.349 -3.732) 6.644 3.005 ( 9.674 1.576 -2.455) 10.104 3.230 ( -2.801 -1.660 0.382) 3.278 3.284 ( -4.957 0.935 -2.151) 5.484 3.409 ( -2.958 -1.134 4.031) 5.127 3.455 ( 2.073 -4.500 2.901) 5.741 3.615 ( 9.166 1.340 -2.094) 9.497 3.797 ( 2.772 -4.604 3.469) 6.396 3.903 ( 1.639 2.563 4.535) 5.461 4.004 ( 0.862 3.980 -4.015) 5.719 4.073 ( -1.645 -4.320 -1.725) 4.933 4.285 ( -0.638 7.925 -3.539) 8.703 4.473 ( -1.186 0.040 -2.177) 2.480 4.644 ( 11.133 0.854 2.532) 11.449 4.779 ( -2.405 -0.550 -2.813) 3.742 5.014 ( 7.868 0.287 3.658) 8.681 5.135 ( -7.876 1.273 6.257) 10.139 5.285 ( -2.731 -1.764 -0.562) 3.299 5.446 ( -0.484 3.051 -0.260) 3.100 5.528 ( 3.563 2.901 7.774) 9.030 5.581 ( -1.929 2.572 -5.065) 5.999 5.704 ( 0.685 -2.717 -8.467) 8.918 5.831 ( -5.292 4.425 0.640) 6.928 5.874 ( -5.234 3.236 -2.781) 6.752 5.936 ( -6.824 1.314 -0.987) 7.019 6.252 ( -1.200 -2.831 7.684) 8.277 6.481 ( 4.597 -7.296 2.547) 8.991 6.593 ( 5.860 5.017 -2.583) 8.135 6.666 ( -6.262 4.790 -17.762) 19.433 6.735 ( -0.113 -3.593 7.619) 8.424 7.776 ( 2.894 4.350 5.274) 7.424 7.809 ( -6.037 0.443 -1.991) 6.372 7.882 ( 2.135 3.602 -3.479) 5.444 8.000 ( -1.806 -1.025 -0.575) 2.154 8.019 ( 1.562 -5.345 0.623) 5.603 8.136 ( -1.673 -2.631 -2.432) 3.954 8.281 ( -2.903 1.576 -1.421) 3.596 8.502 ( 2.535 0.625 5.583) 6.163 8.857 ( -3.665 -0.885 5.897) 6.999 9.073 ( 9.310 -1.135 -0.488) 9.391 9.240 ( 9.455 -4.788 5.427) 11.907 9.472 ( 14.996 -14.736 -8.277) 22.595 10.066 ( -6.034 3.240 -1.499) 7.010 10.147 ( -3.806 3.374 4.964) 7.107 10.546 ( -2.744 -0.502 -1.282) 3.070 10.686 ( -2.155 -1.697 3.673) 4.584 10.692 ( 1.278 -2.403 0.679) 2.805 10.774 ( 0.557 -3.654 -5.283) 6.448 10.951 ( 6.636 -3.135 4.770) 8.753 11.128 ( 6.172 -6.623 -0.932) 9.100 11.824 ( -5.671 7.810 1.292) 9.738 11.874 ( -5.977 3.632 9.240) 11.589 12.009 ( 2.200 1.015 -6.538) 6.973 12.060 ( -8.618 0.223 6.708) 10.923 12.107 ( 0.348 6.327 0.031) 6.337 12.414 ( -0.170 1.016 -7.299) 7.371 12.712 ( -5.616 1.345 5.996) 8.325 12.998 ( 2.930 1.966 -3.317) 4.843 13.141 ( 1.907 6.193 7.670) 10.041 13.255 ( 3.560 5.237 -6.929) 9.387 13.488 ( -0.350 -3.275 -6.154) 6.980 13.629 ( -2.185 3.114 -1.540) 4.104 14.017 ( -7.049 -7.083 -3.376) 10.548 14.171 ( 6.968 -2.047 2.171) 7.580 14.384 ( 4.909 -2.910 2.811) 6.361 14.728 ( 14.406 -14.857 1.508) 20.749 17.171 ( -16.359 8.508 -2.975) 18.678 17.666 ( -9.716 5.176 7.342) 13.233 17.933 ( 3.632 -0.491 -6.297) 7.285 18.102 ( 9.226 13.107 -8.393) 18.093 20.856 ( -1.053 3.184 11.364) 11.849 21.058 ( 3.066 0.236 -10.745) 11.176 21.380 ( -1.365 -0.090 3.650) 3.898 21.503 ( 3.500 -2.231 7.236) 8.342 21.617 ( -4.352 0.015 1.709) 4.676 21.898 ( 9.915 -6.117 3.980) 12.311 22.866 ( -1.477 -0.651 1.500) 2.204 22.902 ( -0.854 -3.645 -4.099) 5.552 23.304 ( 1.929 -5.498 7.015) 9.119 23.336 ( 0.967 -2.643 -4.498) 5.305 23.388 ( -5.441 -2.900 -6.489) 8.951 23.578 ( 3.242 -1.568 3.227) 4.835 23.965 ( -0.727 0.828 -0.439) 1.186 24.000 ( 1.022 0.635 -0.045) 1.204 24.392 ( -5.490 4.921 11.584) 13.731 24.650 ( -3.200 12.579 -19.878) 23.740 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -8.867 -20.841 6.556) 23.578 1.495 ( -12.214 -16.959 8.029) 22.388 1.747 ( -1.449 -14.840 9.122) 17.480 1.840 ( -8.423 -11.568 5.156) 15.210 2.200 ( -0.950 -5.831 -3.478) 6.856 2.260 ( -1.032 -6.515 -4.981) 8.266 2.455 ( 4.652 -3.195 0.814) 5.702 2.468 ( 5.037 -12.690 -1.338) 13.719 2.720 ( 5.010 -1.553 1.641) 5.496 2.839 ( 0.652 -7.848 -0.069) 7.875 2.947 ( 4.688 4.222 -4.542) 7.774 3.014 ( -1.541 -10.129 -3.424) 10.803 3.219 ( -3.627 1.660 -0.724) 4.054 3.292 ( -0.463 -0.888 -1.075) 1.470 3.407 ( -6.115 -4.360 4.777) 8.901 3.555 ( 0.185 -0.246 2.599) 2.617 3.707 ( 6.681 -1.790 -0.631) 6.945 3.843 ( 3.326 -0.389 0.900) 3.468 3.878 ( 4.872 1.338 3.611) 6.210 4.018 ( 1.637 0.085 -6.551) 6.753 4.116 ( 5.253 1.963 -0.520) 5.632 4.164 ( -2.953 -2.651 5.906) 7.115 4.406 ( -7.973 0.614 -3.953) 8.920 4.681 ( 6.752 2.334 -2.310) 7.508 4.778 ( -0.074 0.063 0.031) 0.102 5.002 ( -4.163 2.142 -0.193) 4.686 5.159 ( 3.356 -1.066 5.299) 6.363 5.304 ( -1.772 -1.944 -2.588) 3.690 5.399 ( 0.796 2.946 2.421) 3.895 5.435 ( -2.415 5.806 -1.477) 6.459 5.540 ( -1.751 3.196 4.930) 6.131 5.603 ( -1.876 4.384 -1.023) 4.877 5.746 ( -5.657 1.002 -5.628) 8.043 5.817 ( -1.306 -1.245 -2.992) 3.494 5.932 ( 5.413 -1.087 -0.769) 5.574 6.300 ( -7.201 -1.262 2.072) 7.599 6.425 ( -0.137 6.895 -3.421) 7.699 6.501 ( 0.080 3.386 -2.130) 4.001 6.658 ( 2.588 -3.130 -2.423) 4.729 6.875 ( 4.706 -4.343 4.234) 7.677 7.698 ( 0.593 5.456 -3.471) 6.494 7.772 ( -4.432 1.252 1.512) 4.847 7.798 ( 4.244 5.843 0.167) 7.224 7.889 ( -2.598 5.914 -1.161) 6.563 8.142 ( -0.112 -2.901 -2.632) 3.919 8.170 ( 0.738 -3.097 -1.698) 3.608 8.271 ( -1.075 -1.758 3.019) 3.655 8.511 ( 1.198 2.836 4.550) 5.494 8.882 ( -2.164 -1.777 4.998) 5.729 9.191 ( 7.124 -4.700 -2.476) 8.887 9.412 ( 6.898 -5.759 1.540) 9.117 9.685 ( -3.801 2.130 3.544) 5.617 9.939 ( -7.465 4.890 3.217) 9.486 10.212 ( 13.219 -9.052 -7.821) 17.829 10.515 ( -1.936 -0.192 -3.115) 3.673 10.697 ( -4.552 -3.296 -0.301) 5.628 10.794 ( 4.719 -2.140 4.446) 6.827 10.843 ( 3.353 -4.920 -6.384) 8.730 11.083 ( 4.872 -1.446 -0.150) 5.084 11.350 ( 4.533 -7.010 6.400) 10.519 11.568 ( -10.404 7.852 0.703) 13.053 11.783 ( -0.725 5.854 2.760) 6.513 11.948 ( -0.270 3.166 -0.058) 3.178 12.022 ( -0.293 0.912 5.139) 5.228 12.143 ( 3.235 -5.903 -0.641) 6.762 12.361 ( 0.235 0.626 -3.065) 3.137 12.667 ( -7.703 1.146 5.847) 9.738 12.893 ( 2.150 11.707 3.946) 12.540 13.107 ( 5.826 4.546 -3.492) 8.173 13.138 ( 2.687 2.846 -1.289) 4.121 13.555 ( 0.175 -4.875 -2.846) 5.647 13.566 ( -2.330 1.249 -0.530) 2.696 14.055 ( -5.014 -5.065 -3.209) 7.816 14.261 ( 3.138 -1.010 0.060) 3.297 14.541 ( 5.925 -6.038 1.942) 8.680 15.137 ( 13.706 -13.654 1.050) 19.375 16.803 ( -15.729 13.846 -2.056) 21.056 17.397 ( -11.779 13.212 1.210) 17.742 17.902 ( 1.686 4.290 -4.437) 6.398 17.973 ( 1.724 -1.782 -6.921) 7.351 20.822 ( -2.274 3.902 8.216) 9.375 21.036 ( 3.135 -0.113 -7.004) 7.675 21.390 ( -0.498 0.528 4.280) 4.341 21.567 ( -1.628 -0.724 -0.567) 1.870 21.639 ( -0.179 -4.145 4.873) 6.400 22.138 ( 17.469 0.728 9.746) 20.017 22.849 ( -3.989 0.167 -2.662) 4.799 22.976 ( 1.664 -6.144 -3.776) 7.401 23.336 ( 0.048 -2.322 -5.522) 5.990 23.395 ( -4.597 -5.659 -4.559) 8.599 23.516 ( 3.532 -7.615 4.605) 9.574 23.658 ( 2.627 -2.186 3.511) 4.899 23.934 ( -0.796 1.227 -0.956) 1.747 23.991 ( 0.919 0.767 -1.099) 1.625 24.193 ( -9.991 10.454 -6.744) 15.956 24.338 ( -5.827 7.785 3.011) 10.180 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -14.167 0.000 -3.654) 14.631 0.933 ( -24.766 0.000 1.465) 24.810 1.272 ( 6.955 -0.000 4.378) 8.218 1.807 ( -19.581 0.000 13.071) 23.543 1.927 ( 0.797 -0.000 2.452) 2.578 2.068 ( -10.241 0.000 7.496) 12.692 2.142 ( 2.730 -0.000 -3.705) 4.603 2.433 ( 9.082 -0.000 7.111) 11.534 2.514 ( -4.691 0.000 6.171) 7.752 2.696 ( 0.200 -0.000 -9.774) 9.776 2.839 ( 1.268 -0.000 0.737) 1.467 3.100 ( 13.927 -0.000 -3.101) 14.268 3.197 ( -7.497 0.000 2.048) 7.772 3.330 ( 0.462 -0.000 -6.466) 6.482 3.351 ( -0.705 0.000 3.492) 3.563 3.402 ( -0.376 0.000 -0.500) 0.625 3.723 ( 12.200 -0.000 -0.781) 12.225 3.788 ( 2.121 -0.000 6.212) 6.564 3.953 ( 0.368 -0.000 -0.656) 0.752 3.979 ( -2.355 0.000 -4.054) 4.688 4.051 ( 3.416 -0.000 -3.510) 4.898 4.391 ( 0.149 -0.000 0.765) 0.780 4.419 ( -0.182 0.000 -6.176) 6.178 4.728 ( 0.048 -0.000 -0.258) 0.262 4.793 ( 6.982 -0.000 2.333) 7.362 5.082 ( -8.786 0.000 8.764) 12.410 5.138 ( 6.690 -0.000 0.464) 6.707 5.243 ( -2.928 0.000 2.197) 3.660 5.510 ( -2.250 0.000 -7.688) 8.010 5.521 ( 2.430 -0.000 2.969) 3.837 5.626 ( 3.015 -0.000 -2.939) 4.210 5.629 ( 2.586 -0.000 3.816) 4.610 5.833 ( -2.912 0.000 -5.056) 5.835 5.857 ( -9.557 0.000 4.936) 10.757 5.919 ( -2.922 0.000 -0.171) 2.927 6.268 ( -2.139 0.000 10.605) 10.819 6.320 ( -11.517 0.000 -7.489) 13.738 6.584 ( 3.518 -0.000 -15.986) 16.369 6.651 ( -9.627 0.000 7.784) 12.380 6.748 ( 9.167 -0.000 -3.148) 9.692 7.764 ( -5.089 0.000 -2.200) 5.544 7.841 ( -0.352 0.000 -2.631) 2.655 7.902 ( 0.067 -0.000 2.351) 2.352 7.957 ( 2.317 -0.000 -1.095) 2.563 8.031 ( 2.722 -0.000 3.668) 4.567 8.056 ( -2.645 0.000 -5.409) 6.021 8.276 ( -1.106 0.000 -0.472) 1.202 8.528 ( -0.248 0.000 1.766) 1.783 8.909 ( 1.936 -0.000 11.654) 11.814 9.202 ( 13.377 -0.000 4.117) 13.996 9.332 ( 10.826 -0.000 -10.265) 14.919 9.357 ( 13.983 -0.000 10.042) 17.215 10.040 ( -4.953 0.000 -0.959) 5.045 10.157 ( -7.831 0.000 4.953) 9.266 10.509 ( -3.995 0.000 0.018) 3.995 10.630 ( -2.114 0.000 -2.201) 3.052 10.704 ( 1.291 -0.000 -5.722) 5.866 10.767 ( 5.731 -0.000 6.931) 8.993 11.029 ( 9.735 -0.000 14.041) 17.086 11.095 ( 4.149 -0.000 -2.861) 5.040 11.862 ( -8.328 0.000 -1.324) 8.432 11.925 ( -1.613 0.000 9.107) 9.249 11.932 ( -5.731 0.000 -7.387) 9.349 12.025 ( 1.835 -0.000 -1.750) 2.536 12.247 ( -5.439 0.000 12.034) 13.206 12.387 ( 1.307 -0.000 -2.518) 2.837 12.728 ( -4.029 0.000 5.003) 6.423 12.931 ( -2.323 0.000 -9.163) 9.453 13.263 ( 2.294 -0.000 7.296) 7.649 13.351 ( 6.966 -0.000 -4.257) 8.164 13.418 ( -0.057 0.000 -7.082) 7.083 13.657 ( -4.079 0.000 -3.114) 5.131 13.820 ( -7.281 0.000 -1.724) 7.482 14.231 ( 8.529 -0.000 1.719) 8.701 14.447 ( 3.747 -0.000 4.217) 5.641 14.673 ( 14.764 -0.000 0.833) 14.788 17.093 ( -15.103 0.000 -5.253) 15.990 17.672 ( -8.946 0.000 7.399) 11.609 17.903 ( 1.971 -0.000 -7.479) 7.734 18.248 ( 1.805 -0.000 -24.472) 24.538 20.967 ( 1.274 -0.000 10.346) 10.424 21.023 ( 2.786 -0.000 -10.051) 10.430 21.411 ( 0.779 -0.000 7.080) 7.122 21.539 ( 1.009 -0.000 3.328) 3.478 21.779 ( 14.505 -0.000 29.798) 33.141 21.815 ( 2.945 -0.000 -3.194) 4.345 22.840 ( -1.125 0.000 -2.199) 2.470 22.852 ( -1.657 0.000 -1.361) 2.144 23.232 ( -4.497 0.000 -8.045) 9.216 23.284 ( 1.508 -0.000 -8.582) 8.714 23.344 ( -0.366 0.000 10.032) 10.038 23.611 ( 2.964 -0.000 4.544) 5.425 23.962 ( -0.952 0.000 -1.095) 1.452 24.010 ( 0.681 -0.000 -1.304) 1.471 24.451 ( -7.213 0.000 11.586) 13.648 24.604 ( -8.785 0.000 -31.011) 32.232 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.561 -25.705 13.387) 29.095 1.019 ( -12.543 -20.422 9.609) 25.820 1.490 ( -0.479 -14.436 9.338) 17.200 1.643 ( -24.044 -1.039 15.982) 28.890 2.075 ( 3.460 -8.143 -6.523) 10.992 2.117 ( 0.377 -5.837 -1.886) 6.146 2.241 ( 3.313 -10.382 -2.011) 11.082 2.471 ( -0.687 0.196 6.651) 6.689 2.646 ( 1.009 -8.099 5.716) 9.964 2.734 ( 1.136 -7.897 -4.115) 8.977 2.853 ( 0.877 -0.052 0.263) 0.917 3.112 ( 5.190 8.921 -3.901) 11.034 3.165 ( -3.679 -0.510 1.800) 4.128 3.248 ( 2.264 -1.725 1.315) 3.135 3.352 ( -4.414 -1.417 -2.162) 5.115 3.553 ( 3.987 -6.917 1.217) 8.076 3.724 ( 3.873 3.195 -1.921) 5.376 3.904 ( 4.612 -0.929 0.393) 4.721 3.927 ( 1.262 0.979 -5.361) 5.594 3.975 ( 2.737 -3.884 -3.739) 6.046 4.068 ( 0.954 -0.634 -1.475) 1.867 4.264 ( 2.481 6.933 0.829) 7.411 4.403 ( -6.413 3.303 0.131) 7.215 4.736 ( -1.828 -1.805 1.553) 3.002 4.806 ( 7.109 4.279 -1.259) 8.392 5.027 ( -9.099 1.453 3.401) 9.822 5.170 ( 3.836 -1.586 -0.782) 4.224 5.250 ( -0.305 -0.676 0.922) 1.183 5.424 ( -2.727 1.657 -4.532) 5.542 5.499 ( 1.562 3.711 1.580) 4.326 5.648 ( 2.295 0.737 -3.445) 4.205 5.675 ( 0.776 5.556 5.096) 7.579 5.740 ( -5.955 4.576 2.476) 7.908 5.783 ( 1.413 3.158 -4.317) 5.532 5.929 ( 2.407 -3.200 3.974) 5.641 6.181 ( -12.477 -2.201 -3.407) 13.120 6.443 ( 2.461 -7.343 2.379) 8.102 6.542 ( -5.798 1.990 0.604) 6.160 6.630 ( 6.060 -1.066 -6.026) 8.612 6.820 ( 3.332 -4.113 0.429) 5.311 7.698 ( -3.864 1.042 -2.077) 4.509 7.841 ( -0.189 4.078 -1.063) 4.219 7.879 ( 2.414 -1.819 -3.694) 4.773 7.944 ( -1.737 3.361 -3.097) 4.890 8.020 ( -1.153 -4.231 -0.350) 4.399 8.121 ( 0.640 -2.762 1.601) 3.256 8.275 ( 1.260 0.116 1.607) 2.045 8.539 ( -1.622 -1.214 0.445) 2.074 8.957 ( 4.517 3.931 12.542) 13.898 9.267 ( 13.305 3.510 -1.397) 13.831 9.392 ( 5.891 -2.709 1.813) 6.733 9.656 ( 4.441 -6.989 3.212) 8.882 9.964 ( -8.297 4.280 1.749) 9.499 10.133 ( 2.961 -4.143 -3.358) 6.100 10.480 ( -2.772 -0.728 -0.865) 2.993 10.621 ( -1.662 -1.607 -0.898) 2.480 10.726 ( 2.854 -3.623 -3.825) 5.992 10.850 ( 5.130 -1.410 0.909) 5.397 11.096 ( 3.389 0.169 -2.361) 4.134 11.322 ( 10.526 -7.063 12.440) 17.760 11.664 ( -8.389 9.979 1.696) 13.147 11.904 ( -0.449 5.157 1.099) 5.291 11.934 ( -2.264 -2.656 0.191) 3.495 12.044 ( 0.130 -0.663 0.158) 0.694 12.144 ( 1.510 3.999 5.996) 7.363 12.383 ( 1.208 1.980 0.116) 2.323 12.674 ( -6.853 2.446 5.714) 9.252 13.047 ( 6.097 -9.133 1.032) 11.029 13.232 ( 3.384 6.028 -5.510) 8.840 13.259 ( 3.208 12.773 4.399) 13.885 13.451 ( 2.221 -5.312 -2.522) 6.286 13.569 ( -1.937 1.396 -1.408) 2.771 13.847 ( -7.642 -6.885 -3.196) 10.771 14.293 ( 4.561 1.237 0.095) 4.726 14.528 ( 7.450 -3.683 3.682) 9.089 14.977 ( 12.466 -15.035 0.395) 19.535 16.869 ( -12.344 8.103 -6.194) 16.012 17.515 ( -18.158 11.773 3.588) 21.937 17.898 ( 0.304 -1.611 -10.050) 10.183 17.940 ( -8.187 4.613 -17.414) 19.788 20.951 ( -0.030 5.257 6.154) 8.094 21.012 ( 2.216 -0.640 -6.438) 6.839 21.459 ( 2.157 0.920 8.098) 8.430 21.552 ( -1.340 2.040 2.078) 3.205 21.659 ( 0.555 4.545 6.747) 8.154 22.363 ( 30.202 -6.592 19.417) 36.505 22.794 ( -4.004 0.625 -8.190) 9.138 22.872 ( 2.281 -4.903 -0.329) 5.418 23.199 ( -5.865 -5.858 -7.174) 10.963 23.275 ( 2.469 -1.972 -6.827) 7.523 23.456 ( 2.160 -5.029 9.024) 10.554 23.669 ( 2.250 -1.064 4.401) 5.056 23.937 ( -1.201 0.809 -1.855) 2.353 23.997 ( -0.337 0.589 -3.300) 3.369 24.194 ( -19.785 8.588 -19.661) 29.185 24.409 ( -8.831 3.674 6.409) 11.514 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -1.477 0.000 16.322) 16.389 0.920 ( 1.800 -0.000 32.399) 32.449 1.351 ( -15.805 0.000 19.377) 25.005 1.543 ( -12.989 0.000 9.589) 16.145 1.941 ( 1.155 -0.000 -3.745) 3.920 2.085 ( 3.189 -0.000 -3.634) 4.835 2.157 ( 6.418 -0.000 -5.968) 8.764 2.472 ( -9.451 0.000 8.220) 12.525 2.604 ( 0.934 -0.000 -8.040) 8.094 2.645 ( 2.193 -0.000 10.171) 10.405 2.898 ( 2.593 -0.000 4.312) 5.031 3.139 ( -2.458 0.000 2.593) 3.573 3.217 ( -8.629 0.000 -8.018) 11.779 3.264 ( 7.140 -0.000 -2.244) 7.484 3.309 ( 3.744 -0.000 -2.611) 4.564 3.493 ( 7.842 -0.000 0.251) 7.847 3.825 ( -2.032 0.000 0.226) 2.045 3.850 ( 2.716 -0.000 -4.055) 4.880 3.910 ( 1.607 -0.000 -7.613) 7.781 3.926 ( 2.013 -0.000 -2.302) 3.058 4.131 ( 6.190 -0.000 1.544) 6.380 4.346 ( -4.505 0.000 -2.566) 5.184 4.377 ( -3.133 0.000 0.535) 3.178 4.702 ( -2.593 0.000 3.881) 4.668 4.914 ( 5.634 -0.000 -2.376) 6.115 4.936 ( -9.109 0.000 1.549) 9.240 5.192 ( 4.176 -0.000 -8.191) 9.194 5.220 ( -5.134 0.000 3.281) 6.093 5.406 ( 1.897 -0.000 -5.492) 5.810 5.560 ( 1.743 -0.000 -1.607) 2.371 5.716 ( 1.438 -0.000 2.676) 3.038 5.728 ( -3.373 0.000 -3.684) 4.995 5.768 ( -6.042 0.000 3.767) 7.120 5.895 ( -2.521 0.000 3.816) 4.573 5.924 ( 0.823 -0.000 2.614) 2.741 6.070 ( 14.999 -0.000 7.351) 16.704 6.326 ( -4.461 0.000 9.224) 10.246 6.548 ( -10.709 0.000 8.575) 13.719 6.599 ( 9.113 -0.000 -10.465) 13.877 6.807 ( 4.116 -0.000 -6.421) 7.627 7.683 ( -2.072 0.000 -1.954) 2.848 7.811 ( 0.980 -0.000 -4.220) 4.332 7.843 ( -4.668 0.000 -1.460) 4.891 7.951 ( 0.902 -0.000 -6.576) 6.637 7.995 ( 1.146 -0.000 0.039) 1.147 8.111 ( -0.143 0.000 3.342) 3.345 8.300 ( 1.674 -0.000 2.401) 2.927 8.497 ( -3.229 0.000 -0.449) 3.260 9.145 ( 7.687 -0.000 13.918) 15.900 9.412 ( 3.116 -0.000 5.135) 6.006 9.465 ( 15.416 -0.000 -6.003) 16.544 9.622 ( 6.250 -0.000 5.336) 8.218 10.009 ( 2.467 -0.000 -0.286) 2.484 10.013 ( -12.535 0.000 -1.559) 12.632 10.434 ( -5.102 0.000 0.993) 5.198 10.595 ( 0.081 -0.000 -1.071) 1.074 10.708 ( 4.234 -0.000 -3.082) 5.236 10.867 ( 4.749 -0.000 -3.570) 5.941 11.110 ( 1.903 -0.000 -2.480) 3.126 11.376 ( 1.058 -0.000 4.740) 4.857 11.805 ( -2.264 0.000 -3.454) 4.130 11.823 ( 5.206 -0.000 3.986) 6.557 11.982 ( -1.083 0.000 2.155) 2.412 12.039 ( 2.745 -0.000 -2.809) 3.928 12.285 ( -5.835 0.000 13.696) 14.887 12.432 ( 2.246 -0.000 2.409) 3.294 12.696 ( -4.614 0.000 2.455) 5.226 12.886 ( 10.388 -0.000 -1.208) 10.458 13.331 ( 8.096 -0.000 -8.462) 11.711 13.373 ( 2.139 -0.000 5.511) 5.912 13.527 ( 10.045 -0.000 6.553) 11.994 13.539 ( -6.344 0.000 -1.022) 6.426 13.753 ( 1.160 -0.000 3.275) 3.475 14.364 ( 5.864 -0.000 -1.724) 6.112 14.555 ( 3.621 -0.000 6.316) 7.281 14.888 ( 7.960 -0.000 0.672) 7.988 16.832 ( -5.076 0.000 -8.753) 10.118 17.539 ( -45.212 0.000 -29.917) 54.214 17.593 ( -9.576 0.000 8.090) 12.536 17.873 ( 2.566 -0.000 -7.968) 8.371 20.989 ( 3.526 -0.000 -6.435) 7.337 21.017 ( -2.193 0.000 1.283) 2.541 21.548 ( 3.451 -0.000 11.794) 12.288 21.569 ( -0.161 0.000 3.820) 3.824 21.825 ( 2.388 -0.000 -3.640) 4.354 22.650 ( 20.767 -0.000 4.670) 21.286 22.804 ( 0.184 -0.000 -2.451) 2.457 22.811 ( 18.338 -0.000 9.637) 20.716 23.050 ( -5.789 0.000 -4.750) 7.488 23.236 ( 3.381 -0.000 -7.724) 8.431 23.477 ( 2.249 -0.000 11.073) 11.299 23.701 ( 1.809 -0.000 4.598) 4.941 23.880 ( -25.880 0.000 -17.782) 31.400 23.923 ( -1.418 0.000 -2.397) 2.785 24.027 ( -4.674 0.000 -3.785) 6.015 24.395 ( -10.973 0.000 6.479) 12.743 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -7.955 0.000 -15.353) 17.291 1.225 ( 7.955 -0.000 15.353) 17.291 1.615 ( 17.103 -0.000 -21.263) 27.288 1.615 ( -17.103 0.000 21.263) 27.288 2.040 ( -10.652 0.000 -4.857) 11.708 2.040 ( 10.652 -0.000 4.857) 11.708 2.369 ( -5.223 0.000 -24.403) 24.955 2.369 ( 5.223 -0.000 24.403) 24.955 2.548 ( -0.923 0.000 -7.650) 7.705 2.548 ( 0.923 -0.000 7.650) 7.705 2.992 ( 3.817 -0.000 -11.169) 11.803 2.992 ( -3.817 0.000 11.169) 11.803 3.160 ( -2.525 0.000 -7.283) 7.708 3.160 ( 2.525 -0.000 7.283) 7.708 3.529 ( 1.842 -0.000 -8.994) 9.181 3.529 ( -1.842 0.000 8.994) 9.181 3.696 ( -2.063 0.000 -0.907) 2.253 3.696 ( 2.063 -0.000 0.907) 2.253 3.887 ( -6.405 0.000 -1.457) 6.569 3.887 ( 6.405 -0.000 1.457) 6.569 4.209 ( -1.574 0.000 -0.346) 1.612 4.209 ( 1.574 -0.000 0.346) 1.612 4.578 ( -8.643 0.000 -10.339) 13.476 4.578 ( 8.643 -0.000 10.339) 13.476 4.888 ( 2.429 -0.000 -1.504) 2.858 4.888 ( -2.429 0.000 1.504) 2.858 5.187 ( 9.444 -0.000 -4.799) 10.593 5.187 ( -9.444 0.000 4.799) 10.593 5.457 ( -4.165 0.000 -1.813) 4.542 5.457 ( 4.165 -0.000 1.813) 4.542 5.633 ( -1.047 0.000 -0.848) 1.347 5.633 ( 1.047 -0.000 0.848) 1.347 5.854 ( 0.990 -0.000 -2.797) 2.967 5.854 ( -0.990 0.000 2.797) 2.967 6.162 ( 3.026 -0.000 -13.589) 13.922 6.162 ( -3.026 0.000 13.589) 13.922 6.487 ( 10.498 -0.000 -10.482) 14.835 6.487 ( -10.498 0.000 10.482) 14.835 6.681 ( 8.142 -0.000 -8.255) 11.594 6.681 ( -8.142 0.000 8.255) 11.594 7.666 ( 1.346 -0.000 -4.070) 4.287 7.666 ( -1.346 0.000 4.070) 4.287 7.825 ( 4.257 -0.000 -4.661) 6.312 7.825 ( -4.257 0.000 4.661) 6.312 8.096 ( -3.278 0.000 -1.679) 3.683 8.096 ( 3.278 -0.000 1.679) 3.683 8.408 ( -3.647 0.000 -1.543) 3.960 8.408 ( 3.647 -0.000 1.543) 3.960 9.485 ( -6.158 0.000 0.465) 6.176 9.485 ( 6.158 -0.000 -0.465) 6.176 9.671 ( -18.112 0.000 -0.433) 18.118 9.671 ( 18.112 -0.000 0.433) 18.118 9.900 ( 1.027 -0.000 -10.875) 10.924 9.900 ( -1.027 0.000 10.875) 10.924 10.508 ( 0.497 -0.000 -6.585) 6.603 10.508 ( -0.497 0.000 6.585) 6.603 10.763 ( -2.600 0.000 -1.666) 3.088 10.763 ( 2.600 -0.000 1.666) 3.088 11.189 ( -5.370 0.000 -4.255) 6.852 11.189 ( 5.370 -0.000 4.255) 6.852 11.786 ( -9.887 0.000 1.395) 9.985 11.786 ( 9.887 -0.000 -1.395) 9.985 11.976 ( 2.707 -0.000 -3.935) 4.776 11.976 ( -2.707 0.000 3.935) 4.776 12.579 ( -8.538 0.000 1.087) 8.607 12.579 ( 8.538 -0.000 -1.087) 8.607 12.674 ( 3.670 -0.000 -12.968) 13.477 12.674 ( -3.670 0.000 12.968) 13.477 13.395 ( -9.445 0.000 2.645) 9.808 13.395 ( 9.445 -0.000 -2.645) 9.808 13.584 ( -0.375 0.000 -4.093) 4.110 13.584 ( 0.375 -0.000 4.093) 4.110 14.245 ( -8.715 0.000 -5.980) 10.569 14.245 ( 8.715 -0.000 5.980) 10.569 14.871 ( -9.545 0.000 -2.627) 9.900 14.871 ( 9.545 -0.000 2.627) 9.900 16.663 ( -21.339 0.000 6.728) 22.374 16.663 ( 21.339 -0.000 -6.728) 22.374 17.703 ( 6.820 -0.000 -8.692) 11.049 17.703 ( -6.820 0.000 8.692) 11.049 20.959 ( -4.830 0.000 1.102) 4.955 20.959 ( 4.830 -0.000 -1.102) 4.955 21.716 ( 0.181 -0.000 -5.041) 5.044 21.716 ( -0.181 0.000 5.041) 5.044 22.087 ( -8.696 0.000 -16.205) 18.391 22.087 ( 8.696 -0.000 16.205) 18.391 22.819 ( -7.190 0.000 -1.350) 7.316 22.819 ( 7.190 -0.000 1.350) 7.316 23.114 ( 6.114 -0.000 -5.812) 8.435 23.114 ( -6.114 0.000 5.812) 8.435 23.770 ( -1.630 0.000 -5.389) 5.630 23.770 ( 1.630 -0.000 5.389) 5.630 23.838 ( 0.961 -0.000 -2.379) 2.566 23.838 ( -0.961 0.000 2.379) 2.566 24.190 ( -21.633 0.000 -1.933) 21.720 24.190 ( 21.633 -0.000 1.933) 21.720 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -4.196 -16.128 -14.122) 21.844 1.439 ( 4.148 -8.161 5.872) 10.876 1.695 ( -3.298 -7.663 10.991) 13.798 1.764 ( 13.933 -8.564 -4.602) 16.989 2.003 ( -12.081 -10.503 -9.991) 18.870 2.151 ( -2.761 -6.183 -14.541) 16.040 2.289 ( 4.038 -8.237 -8.478) 12.491 2.498 ( -4.955 -6.707 10.565) 13.459 2.614 ( 4.065 -6.234 -2.441) 7.832 2.793 ( 11.716 -7.079 14.510) 19.948 2.968 ( 0.209 -1.301 -11.359) 11.435 3.022 ( -5.991 -0.194 5.151) 7.903 3.062 ( -2.047 1.866 -3.097) 4.155 3.197 ( 3.861 1.448 7.687) 8.723 3.475 ( -2.921 0.149 -6.980) 7.568 3.534 ( -4.768 -0.910 1.872) 5.202 3.654 ( 2.425 4.026 2.867) 5.506 3.678 ( 1.755 4.048 3.391) 5.565 3.867 ( -5.398 -2.661 -0.589) 6.047 3.986 ( 1.456 -4.892 2.148) 5.538 4.167 ( 1.876 5.890 -1.006) 6.263 4.194 ( 6.369 3.283 1.825) 7.394 4.489 ( -9.073 -4.224 -7.809) 12.694 4.695 ( 2.752 -0.587 7.627) 8.129 4.814 ( -3.333 3.822 0.883) 5.147 4.905 ( 6.699 1.272 -0.840) 6.870 5.197 ( -6.198 -5.420 0.333) 8.240 5.274 ( 2.516 -3.872 -0.506) 4.646 5.410 ( -4.834 -0.507 -3.766) 6.149 5.512 ( 2.296 -1.535 4.317) 5.124 5.605 ( -3.026 3.321 1.493) 4.735 5.667 ( 2.177 0.034 1.517) 2.654 5.722 ( 2.153 10.586 -3.203) 11.268 5.783 ( 6.300 6.496 -1.056) 9.110 6.077 ( 1.076 5.580 -5.952) 8.229 6.094 ( -4.488 8.401 3.347) 10.096 6.404 ( -6.549 -0.857 7.906) 10.302 6.463 ( 6.813 2.211 -2.750) 7.672 6.734 ( -5.840 -5.738 -2.057) 8.442 6.835 ( 5.714 -5.463 -2.140) 8.190 7.659 ( -0.775 0.227 -1.626) 1.815 7.707 ( 0.683 -1.968 4.476) 4.937 7.818 ( -1.514 0.632 3.426) 3.798 7.830 ( 3.548 1.414 -2.720) 4.689 8.081 ( -3.170 -2.557 -1.696) 4.412 8.144 ( 2.458 -1.511 0.146) 2.889 8.378 ( -3.530 -0.841 -1.927) 4.109 8.464 ( 3.794 -1.463 1.948) 4.509 9.321 ( -13.020 6.384 -0.074) 14.501 9.466 ( 2.588 2.935 -2.313) 4.545 9.522 ( -11.262 1.971 0.369) 11.439 9.749 ( 13.880 5.974 0.843) 15.134 9.900 ( -0.102 -3.926 -10.871) 11.559 10.014 ( -1.283 -5.463 9.923) 11.400 10.490 ( 1.444 -0.346 -6.671) 6.834 10.572 ( 2.591 -2.800 4.455) 5.865 10.746 ( -4.369 -2.226 -1.314) 5.076 10.812 ( 1.798 -2.312 1.707) 3.390 11.118 ( -4.684 1.027 -2.625) 5.467 11.255 ( 6.313 0.808 5.396) 8.344 11.686 ( -8.658 2.354 4.069) 9.851 11.837 ( 10.039 3.566 -0.335) 10.659 11.976 ( 1.031 -0.872 -4.222) 4.433 11.983 ( -3.191 -0.868 4.653) 5.709 12.440 ( -7.401 5.816 -3.222) 9.949 12.595 ( 1.573 4.106 1.872) 4.779 12.643 ( 5.480 -0.194 -11.500) 12.741 12.780 ( 1.958 -2.302 11.185) 11.586 13.349 ( -7.151 -1.990 0.074) 7.423 13.444 ( 3.447 0.423 1.163) 3.663 13.571 ( -2.105 -1.412 -4.176) 4.885 13.648 ( 2.720 -4.236 2.233) 5.507 13.925 ( -19.034 13.063 -10.620) 25.411 14.227 ( 5.873 6.729 4.574) 10.034 14.827 ( -13.698 -5.290 -3.579) 15.113 15.050 ( 5.173 -9.371 0.988) 10.749 16.576 ( -6.453 1.689 6.939) 9.625 16.860 ( 27.983 1.700 0.846) 28.047 17.725 ( -4.924 -2.697 7.950) 9.732 17.749 ( 7.131 -2.835 -6.835) 10.277 20.938 ( -4.690 -0.980 2.211) 5.277 21.000 ( 4.670 -0.176 -1.645) 4.954 21.611 ( -0.693 6.535 -3.463) 7.428 21.653 ( -0.365 6.954 2.484) 7.394 21.943 ( -6.785 -0.004 -12.938) 14.609 22.238 ( 9.750 2.404 15.080) 18.118 22.802 ( -4.002 -3.438 -2.174) 5.706 22.910 ( 1.364 -2.385 6.486) 7.044 23.143 ( -5.720 -6.410 0.214) 8.594 23.242 ( 1.683 -9.026 2.909) 9.631 23.733 ( -1.209 -0.303 -4.922) 5.077 23.795 ( -6.822 1.386 -4.160) 8.110 23.814 ( 0.882 -0.936 1.542) 2.008 23.828 ( 0.339 0.163 -0.235) 0.443 24.007 ( -8.771 1.394 -1.600) 9.024 24.319 ( 19.274 5.474 -0.940) 20.059 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.811 -18.175 -1.264) 18.237 1.651 ( 4.664 -10.620 -3.903) 12.238 1.904 ( 6.229 -8.789 0.430) 10.781 1.995 ( 3.517 -5.479 3.108) 7.214 2.085 ( -8.047 -11.917 -7.398) 16.171 2.198 ( -4.111 -13.097 -20.905) 25.009 2.487 ( 2.176 -7.653 -0.242) 7.960 2.661 ( -0.681 -5.812 4.737) 7.529 2.764 ( 3.003 -4.299 0.148) 5.246 2.900 ( -2.656 0.038 -1.790) 3.203 2.913 ( -6.133 -1.685 -1.187) 6.470 3.008 ( -2.382 -5.530 -5.130) 7.910 3.102 ( -1.950 -2.899 5.122) 6.200 3.319 ( 7.347 -2.396 4.974) 9.190 3.407 ( -0.591 2.279 -2.981) 3.799 3.548 ( 1.353 -1.501 2.250) 3.024 3.630 ( 2.487 0.494 2.080) 3.279 3.649 ( -3.069 1.560 11.201) 11.718 3.876 ( 0.792 -0.818 0.441) 1.221 4.065 ( -1.022 -0.743 1.251) 1.778 4.128 ( 1.560 -3.448 -0.794) 3.867 4.219 ( 9.333 0.369 -1.890) 9.529 4.453 ( -9.940 -2.878 -6.784) 12.374 4.641 ( -4.888 3.454 5.188) 7.921 4.845 ( 4.524 -1.985 0.805) 5.005 4.905 ( 6.562 5.963 -0.506) 8.881 5.226 ( -5.390 -1.077 -1.542) 5.709 5.309 ( -7.331 -3.393 1.486) 8.214 5.376 ( -1.123 -0.689 -3.223) 3.481 5.495 ( -1.370 6.247 1.450) 6.558 5.502 ( 0.031 5.597 0.182) 5.600 5.618 ( -0.493 -2.536 7.239) 7.686 5.645 ( 3.360 5.339 -4.460) 7.726 5.752 ( 3.848 1.088 -4.549) 6.057 5.981 ( 2.769 4.076 -0.723) 4.981 6.032 ( 4.986 -1.393 4.322) 6.744 6.386 ( -6.072 2.649 7.174) 9.765 6.484 ( 3.050 0.305 -1.362) 3.354 6.737 ( -1.313 -0.342 -4.800) 4.988 6.911 ( 3.000 0.038 1.097) 3.194 7.611 ( -2.676 3.158 1.366) 4.358 7.762 ( 2.705 0.092 -1.514) 3.101 7.792 ( 2.746 3.648 -0.199) 4.571 7.804 ( -1.170 1.807 3.692) 4.273 8.106 ( -3.153 -1.454 1.555) 3.805 8.185 ( 1.183 -2.402 -1.684) 3.163 8.355 ( -2.119 -0.311 -2.275) 3.124 8.519 ( 2.593 0.177 1.460) 2.980 9.140 ( -13.963 -0.368 2.109) 14.126 9.318 ( -9.611 5.259 -6.150) 12.563 9.530 ( 4.031 -4.432 0.060) 5.992 9.725 ( 11.510 7.531 -1.830) 13.876 9.892 ( 0.495 0.462 -6.215) 6.252 10.156 ( -2.624 -6.681 8.612) 11.211 10.472 ( 1.556 -0.229 -5.699) 5.912 10.677 ( 2.779 -2.939 0.267) 4.054 10.770 ( -3.413 -4.347 2.800) 6.196 10.882 ( 2.525 -1.682 1.437) 3.357 11.051 ( -5.259 -0.128 -2.532) 5.838 11.328 ( 5.864 0.170 5.682) 8.167 11.635 ( -3.260 -0.326 1.844) 3.759 11.772 ( 2.476 7.005 -2.785) 7.934 11.977 ( -2.256 0.768 -0.030) 2.383 12.025 ( 4.990 -1.094 -0.177) 5.111 12.268 ( -8.932 1.894 0.316) 9.136 12.523 ( -4.619 0.223 -4.161) 6.221 12.632 ( 10.716 4.238 -5.085) 12.596 12.817 ( -1.012 4.789 10.592) 11.668 13.265 ( -2.657 7.368 -7.843) 11.085 13.421 ( -5.589 9.295 -4.715) 11.826 13.495 ( -8.450 -3.144 2.352) 9.317 13.615 ( -6.911 -2.142 -3.410) 7.998 13.826 ( 5.070 -8.880 2.827) 10.609 14.213 ( 5.296 2.011 2.408) 6.156 14.775 ( -13.138 -3.433 -2.653) 13.836 15.255 ( 1.787 -8.023 1.655) 8.385 16.531 ( 1.019 4.000 3.905) 5.682 17.011 ( 20.064 5.705 3.405) 21.135 17.790 ( -3.040 -3.393 6.492) 7.931 17.838 ( 5.878 -3.184 -3.928) 7.753 20.922 ( -4.966 0.592 2.664) 5.666 21.008 ( 3.773 1.197 -4.168) 5.748 21.492 ( -0.342 4.207 0.043) 4.221 21.550 ( 0.770 2.990 -1.152) 3.295 21.844 ( -2.813 0.091 -7.842) 8.332 22.283 ( 8.062 8.680 10.924) 16.114 22.806 ( -6.143 -2.816 -4.363) 8.044 22.990 ( -6.318 -4.839 7.161) 10.706 23.268 ( -2.126 -10.131 -0.269) 10.355 23.359 ( -9.144 -4.854 -0.873) 10.389 23.711 ( 0.308 0.017 -3.278) 3.293 23.744 ( 1.467 -2.256 -1.772) 3.222 23.818 ( 1.189 -1.236 -2.426) 2.971 23.864 ( 1.623 -0.633 2.836) 3.328 23.971 ( 0.016 0.448 1.314) 1.388 24.313 ( 13.500 8.699 -1.533) 16.133 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 3.499 -6.786 -0.007) 7.635 1.915 ( 3.295 -13.963 -5.206) 15.262 2.051 ( -0.722 -3.039 -1.293) 3.381 2.103 ( 4.148 -4.573 4.318) 7.535 2.237 ( -0.179 -8.902 -3.085) 9.423 2.295 ( -4.559 -9.781 -12.624) 16.608 2.501 ( -3.971 3.186 -2.848) 5.833 2.710 ( 3.715 -1.790 -4.229) 5.907 2.760 ( -1.396 3.181 4.368) 5.581 2.892 ( -1.606 2.433 4.397) 5.276 2.928 ( -2.397 -1.267 -4.398) 5.167 3.124 ( -5.635 -11.199 -1.732) 12.656 3.203 ( -0.597 -4.260 4.001) 5.875 3.279 ( -2.135 1.728 -3.099) 4.141 3.358 ( 0.047 5.928 8.442) 10.315 3.597 ( 0.062 0.097 -0.677) 0.687 3.673 ( 0.649 -1.268 2.535) 2.908 3.791 ( 8.904 -9.181 2.802) 13.093 3.953 ( 1.683 -3.027 3.960) 5.261 4.093 ( 1.487 -0.289 1.820) 2.368 4.169 ( 0.767 1.390 0.074) 1.589 4.318 ( 8.372 -3.052 -6.082) 10.789 4.394 ( -7.114 -6.732 -5.763) 11.364 4.607 ( -5.951 0.715 5.557) 8.174 4.784 ( -0.045 7.729 -0.810) 7.771 4.888 ( 1.959 -0.938 -2.757) 3.510 5.182 ( 1.030 1.864 1.295) 2.492 5.265 ( -6.871 2.159 0.557) 7.223 5.375 ( 1.786 2.146 -0.563) 2.849 5.433 ( -1.249 1.549 2.045) 2.853 5.476 ( 0.386 -3.657 -1.224) 3.876 5.563 ( -0.251 1.042 -0.786) 1.329 5.676 ( 2.432 -0.135 1.172) 2.703 5.788 ( 0.292 -2.301 0.686) 2.419 5.902 ( 0.826 5.521 -1.186) 5.707 6.169 ( 3.740 -3.802 3.223) 6.232 6.330 ( -2.967 0.810 4.364) 5.339 6.460 ( 0.093 2.359 -0.600) 2.436 6.701 ( 2.449 1.830 -4.154) 5.158 6.935 ( 2.349 0.563 3.293) 4.084 7.539 ( -2.114 2.403 1.439) 3.508 7.706 ( 0.980 4.133 -2.124) 4.749 7.725 ( 0.125 4.604 1.379) 4.807 7.824 ( 1.460 -1.780 -1.144) 2.571 8.043 ( -5.021 4.546 2.316) 7.159 8.268 ( -0.259 -4.566 -1.036) 4.689 8.334 ( 2.379 0.350 -0.530) 2.462 8.509 ( -0.184 2.452 0.267) 2.474 9.114 ( -6.629 3.190 4.769) 8.768 9.142 ( -7.366 -5.337 -6.839) 11.380 9.661 ( 3.800 -4.223 -2.476) 6.198 9.669 ( 4.638 3.162 -2.766) 6.258 9.829 ( 1.502 4.754 0.008) 4.985 10.309 ( -1.111 -6.486 5.618) 8.652 10.477 ( 2.346 -1.393 -4.021) 4.859 10.700 ( -1.759 0.320 -0.447) 1.843 10.872 ( 4.019 -2.914 4.714) 6.846 10.920 ( 1.500 0.014 1.184) 1.911 11.020 ( -6.358 -3.515 -4.167) 8.375 11.397 ( 3.537 0.115 5.433) 6.484 11.571 ( -0.712 4.897 -6.288) 8.002 11.716 ( -1.621 -2.307 1.452) 3.172 11.883 ( -1.279 5.896 -1.421) 6.199 12.060 ( 3.115 0.594 -0.163) 3.176 12.280 ( -4.452 -5.821 5.738) 9.308 12.478 ( -3.645 -2.102 -6.986) 8.155 12.612 ( 9.266 6.449 1.382) 11.374 12.751 ( 0.539 3.680 2.773) 4.639 12.987 ( -8.971 7.821 -7.084) 13.851 13.250 ( -2.665 4.088 -1.540) 5.117 13.521 ( -2.225 -1.400 2.363) 3.535 13.616 ( -2.987 -2.257 -1.366) 3.985 14.029 ( 4.337 -5.601 2.524) 7.520 14.242 ( 2.876 0.067 0.753) 2.973 14.718 ( -8.546 -1.817 -1.220) 8.822 15.390 ( 0.322 -4.554 1.341) 4.758 16.487 ( 2.076 3.514 1.627) 4.393 17.042 ( 9.513 4.957 1.896) 10.893 17.854 ( -1.874 -2.248 4.498) 5.366 17.908 ( 3.511 -1.582 -2.489) 4.585 20.855 ( -2.742 2.483 -0.518) 3.735 21.000 ( 1.626 0.332 -1.869) 2.500 21.434 ( -0.721 1.664 -0.142) 1.819 21.554 ( 1.570 -1.297 0.681) 2.147 21.809 ( 0.121 -0.738 -4.329) 4.393 22.187 ( 1.993 8.996 4.987) 10.477 22.779 ( -5.695 -2.299 -2.685) 6.702 23.054 ( -3.966 -3.459 2.914) 6.015 23.342 ( -4.551 -2.404 -1.866) 5.475 23.453 ( 0.649 -8.335 0.959) 8.415 23.697 ( -0.282 -0.169 -2.350) 2.373 23.777 ( -1.290 -1.607 -0.938) 2.264 23.877 ( 1.980 -1.523 1.945) 3.166 23.897 ( 3.009 0.521 1.058) 3.232 23.973 ( 0.519 0.135 1.000) 1.135 24.235 ( 7.210 7.381 -1.126) 10.379 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.000 0.000 0.000) 0.000 2.023 ( -0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 -0.000) 0.000 2.204 ( -0.000 0.000 0.000) 0.000 2.294 ( -0.000 -0.000 0.000) 0.000 2.344 ( -0.000 -0.000 0.000) 0.000 2.426 ( 0.000 0.000 -0.000) 0.000 2.722 ( -0.000 0.000 0.000) 0.000 2.800 ( 0.000 -0.000 0.000) 0.000 2.815 ( -0.000 0.000 0.000) 0.000 2.897 ( -0.000 0.000 0.000) 0.000 3.162 ( -0.000 0.000 0.000) 0.000 3.229 ( -0.000 -0.000 -0.000) 0.000 3.313 ( -0.000 -0.000 -0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.598 ( -0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 0.000) 0.000 3.974 ( -0.000 0.000 0.000) 0.000 3.985 ( 0.000 -0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.109 ( -0.000 -0.000 -0.000) 0.000 4.446 ( -0.000 -0.000 -0.000) 0.000 4.457 ( 0.000 0.000 -0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 4.697 ( -0.000 0.000 0.000) 0.000 4.913 ( -0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.186 ( -0.000 -0.000 0.000) 0.000 5.360 ( -0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 -0.000) 0.000 5.577 ( -0.000 0.000 -0.000) 0.000 5.669 ( -0.000 0.000 0.000) 0.000 5.811 ( -0.000 0.000 0.000) 0.000 5.842 ( -0.000 0.000 -0.000) 0.000 6.222 ( -0.000 0.000 0.000) 0.000 6.343 ( -0.000 0.000 0.000) 0.000 6.431 ( -0.000 0.000 -0.000) 0.000 6.678 ( -0.000 0.000 0.000) 0.000 6.955 ( -0.000 0.000 -0.000) 0.000 7.511 ( -0.000 0.000 0.000) 0.000 7.663 ( 0.000 -0.000 -0.000) 0.000 7.673 ( -0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.955 ( -0.000 0.000 0.000) 0.000 8.280 ( -0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.452 ( -0.000 0.000 0.000) 0.000 9.042 ( -0.000 0.000 0.000) 0.000 9.184 ( -0.000 -0.000 -0.000) 0.000 9.643 ( -0.000 0.000 0.000) 0.000 9.723 ( -0.000 0.000 0.000) 0.000 9.777 ( -0.000 0.000 0.000) 0.000 10.392 ( -0.000 0.000 0.000) 0.000 10.499 ( -0.000 0.000 0.000) 0.000 10.672 ( -0.000 0.000 0.000) 0.000 10.925 ( -0.000 0.000 0.000) 0.000 10.971 ( -0.000 0.000 -0.000) 0.000 10.991 ( 0.000 0.000 0.000) 0.000 11.440 ( -0.000 0.000 0.000) 0.000 11.476 ( -0.000 0.000 -0.000) 0.000 11.761 ( -0.000 0.000 -0.000) 0.000 11.790 ( -0.000 0.000 0.000) 0.000 12.067 ( -0.000 0.000 0.000) 0.000 12.370 ( -0.000 0.000 0.000) 0.000 12.446 ( -0.000 0.000 -0.000) 0.000 12.579 ( -0.000 0.000 -0.000) 0.000 12.757 ( 0.000 0.000 -0.000) 0.000 12.826 ( -0.000 0.000 0.000) 0.000 13.193 ( -0.000 0.000 -0.000) 0.000 13.530 ( -0.000 0.000 0.000) 0.000 13.621 ( -0.000 0.000 -0.000) 0.000 14.108 ( -0.000 0.000 -0.000) 0.000 14.257 ( -0.000 0.000 0.000) 0.000 14.695 ( -0.000 0.000 0.000) 0.000 15.439 ( -0.000 0.000 0.000) 0.000 16.465 ( -0.000 0.000 0.000) 0.000 17.037 ( -0.000 0.000 0.000) 0.000 17.881 ( -0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 -0.000) 0.000 20.815 ( -0.000 0.000 0.000) 0.000 20.999 ( -0.000 0.000 0.000) 0.000 21.415 ( -0.000 0.000 -0.000) 0.000 21.584 ( -0.000 0.000 0.000) 0.000 21.810 ( -0.000 0.000 0.000) 0.000 22.109 ( -0.000 0.000 0.000) 0.000 22.770 ( -0.000 0.000 0.000) 0.000 23.078 ( -0.000 0.000 0.000) 0.000 23.344 ( -0.000 0.000 0.000) 0.000 23.550 ( -0.000 0.000 0.000) 0.000 23.690 ( -0.000 0.000 -0.000) 0.000 23.789 ( -0.000 -0.000 0.000) 0.000 23.896 ( -0.000 0.000 0.000) 0.000 23.902 ( -0.000 0.000 0.000) 0.000 23.983 ( -0.000 0.000 0.000) 0.000 24.187 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -6.220 0.000 -18.934) 19.930 1.394 ( 3.287 -0.000 -6.362) 7.161 1.650 ( -9.739 0.000 -22.578) 24.589 1.665 ( -3.623 0.000 19.943) 20.269 1.813 ( 14.322 -0.000 -4.354) 14.969 2.077 ( 5.969 -0.000 -15.079) 16.217 2.196 ( 5.677 -0.000 -3.977) 6.932 2.410 ( -7.353 0.000 10.839) 13.097 2.603 ( 7.571 -0.000 -3.544) 8.360 2.878 ( -0.878 0.000 -12.523) 12.554 2.945 ( 9.174 -0.000 18.705) 20.833 2.977 ( -8.649 0.000 0.666) 8.675 3.072 ( -0.625 0.000 3.649) 3.702 3.252 ( 2.068 -0.000 1.393) 2.494 3.410 ( -1.219 0.000 -10.471) 10.541 3.473 ( -6.031 0.000 2.475) 6.519 3.756 ( 2.316 -0.000 5.483) 5.952 3.761 ( 1.456 -0.000 2.609) 2.987 3.789 ( -3.677 0.000 3.833) 5.311 3.920 ( -2.420 0.000 -0.574) 2.487 4.225 ( -7.775 0.000 -6.989) 10.454 4.301 ( 4.101 -0.000 2.522) 4.815 4.369 ( 3.185 -0.000 1.535) 3.535 4.747 ( 2.354 -0.000 4.428) 5.015 4.849 ( -2.105 0.000 -0.825) 2.261 4.913 ( 1.977 -0.000 2.342) 3.065 5.103 ( -2.987 0.000 1.748) 3.461 5.256 ( -2.947 0.000 0.194) 2.954 5.372 ( 1.910 -0.000 -2.616) 3.239 5.528 ( 1.605 -0.000 2.096) 2.640 5.643 ( -1.015 0.000 3.747) 3.882 5.703 ( 1.711 -0.000 2.985) 3.441 5.861 ( 6.168 -0.000 -5.824) 8.483 5.918 ( 7.299 -0.000 1.273) 7.409 6.051 ( 0.796 -0.000 -10.895) 10.924 6.129 ( -14.053 0.000 3.320) 14.440 6.397 ( -10.059 0.000 9.686) 13.965 6.500 ( 4.029 -0.000 -8.823) 9.700 6.665 ( -4.460 0.000 7.689) 8.889 6.753 ( 12.255 -0.000 -12.108) 17.227 7.666 ( 1.855 -0.000 -0.820) 2.028 7.707 ( -0.448 0.000 6.153) 6.169 7.827 ( -1.218 0.000 5.434) 5.569 7.863 ( 5.167 -0.000 -3.287) 6.124 8.023 ( -2.145 0.000 -2.246) 3.105 8.146 ( 1.285 -0.000 -0.405) 1.347 8.335 ( -3.307 0.000 -1.201) 3.518 8.487 ( 3.459 -0.000 1.170) 3.651 9.325 ( -9.508 0.000 -4.131) 10.367 9.355 ( -21.329 0.000 5.206) 21.956 9.508 ( -0.611 0.000 -4.419) 4.461 9.783 ( -0.949 0.000 -11.189) 11.229 9.961 ( 12.930 -0.000 3.250) 13.332 9.970 ( -0.770 0.000 5.267) 5.323 10.489 ( 5.177 -0.000 -5.685) 7.689 10.571 ( 1.726 -0.000 1.762) 2.467 10.679 ( -5.265 0.000 -0.100) 5.266 10.803 ( -0.010 0.000 2.044) 2.044 11.088 ( -3.707 0.000 -0.501) 3.741 11.349 ( 6.296 -0.000 5.070) 8.084 11.688 ( -6.042 0.000 7.338) 9.506 11.886 ( -0.838 0.000 -1.218) 1.478 11.966 ( -3.388 0.000 4.354) 5.517 11.977 ( 0.461 -0.000 0.185) 0.496 12.493 ( -0.149 0.000 -3.145) 3.148 12.599 ( 6.114 -0.000 -15.781) 16.924 12.731 ( 9.554 -0.000 -1.906) 9.742 12.746 ( -3.692 0.000 11.314) 11.901 13.217 ( -14.285 0.000 3.719) 14.761 13.483 ( 3.727 -0.000 -4.566) 5.894 13.532 ( 0.239 -0.000 -1.797) 1.813 13.610 ( -0.676 0.000 -1.006) 1.212 13.891 ( -14.836 0.000 -10.290) 18.055 14.313 ( -3.999 0.000 3.436) 5.273 14.665 ( -7.122 0.000 -4.949) 8.672 14.892 ( -8.836 0.000 0.300) 8.841 16.665 ( 8.934 -0.000 8.176) 12.111 17.184 ( 32.630 -0.000 9.759) 34.058 17.705 ( -4.057 0.000 9.216) 10.069 17.747 ( 8.460 -0.000 -7.798) 11.506 20.902 ( -4.192 0.000 2.710) 4.992 21.033 ( 4.627 -0.000 -0.826) 4.700 21.654 ( -0.959 0.000 -4.692) 4.789 21.734 ( -4.989 0.000 2.704) 5.675 21.811 ( -3.431 0.000 -12.157) 12.632 22.413 ( 7.522 -0.000 16.664) 18.283 22.744 ( -2.977 0.000 3.830) 4.851 22.950 ( -0.680 0.000 1.776) 1.901 23.063 ( -9.137 0.000 -5.660) 10.748 23.082 ( -5.730 0.000 7.832) 9.704 23.690 ( -5.293 0.000 -9.544) 10.913 23.744 ( 5.682 -0.000 -0.786) 5.736 23.784 ( -1.472 0.000 -3.706) 3.988 23.858 ( 1.521 -0.000 4.103) 4.376 23.980 ( -0.907 0.000 2.047) 2.238 24.515 ( 17.701 -0.000 -5.880) 18.653 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.006 -25.762 -9.726) 27.555 1.428 ( 0.677 -10.208 -22.204) 24.447 1.646 ( -6.142 -15.758 -8.305) 18.842 1.816 ( -0.882 -6.075 13.262) 14.614 1.990 ( 8.673 -5.068 4.933) 11.191 2.052 ( 15.966 1.041 -15.775) 22.468 2.294 ( -0.472 -9.026 -6.489) 11.127 2.522 ( -1.308 -8.962 9.339) 13.009 2.672 ( 2.891 -2.958 -6.871) 8.020 2.817 ( -3.662 -4.269 -7.290) 9.208 2.886 ( -6.224 1.589 -2.497) 6.891 2.993 ( -5.201 5.530 7.231) 10.484 3.111 ( 0.523 -0.241 8.951) 8.969 3.297 ( 1.174 -1.856 -1.958) 2.943 3.400 ( 6.920 -4.009 -7.314) 10.837 3.509 ( -0.795 -4.279 4.257) 6.088 3.723 ( 0.510 5.488 0.044) 5.512 3.749 ( 0.163 2.781 10.990) 11.338 3.827 ( -2.142 -2.797 2.608) 4.384 3.965 ( -3.945 -4.855 0.077) 6.256 4.080 ( -5.573 0.714 -3.734) 6.746 4.326 ( -3.325 0.047 -2.861) 4.387 4.388 ( 8.179 3.688 1.783) 9.148 4.714 ( -4.715 5.747 5.281) 9.119 4.827 ( 2.850 -1.616 -4.766) 5.783 5.043 ( 8.931 -3.807 4.071) 10.528 5.114 ( -2.939 -1.749 -0.104) 3.421 5.220 ( -6.730 -0.417 3.089) 7.417 5.364 ( -0.269 1.780 1.315) 2.229 5.563 ( 0.750 -1.047 -1.880) 2.279 5.617 ( -0.488 4.877 5.639) 7.471 5.641 ( -2.321 6.250 -0.543) 6.689 5.782 ( 4.329 4.713 -2.943) 7.043 5.840 ( 2.555 8.963 -5.928) 11.045 6.012 ( -2.625 0.588 -3.428) 4.357 6.109 ( 7.124 -0.949 3.305) 7.911 6.381 ( -6.405 -1.735 7.066) 9.693 6.545 ( 2.164 3.763 2.023) 4.790 6.621 ( -2.732 -6.057 -4.411) 7.976 6.881 ( 5.178 -4.891 -6.214) 9.453 7.666 ( 2.287 1.613 1.171) 3.034 7.770 ( 0.686 -1.215 4.697) 4.900 7.846 ( -0.699 0.779 3.470) 3.624 7.876 ( 4.482 1.861 -0.329) 4.864 8.029 ( -0.353 -3.255 -1.185) 3.482 8.154 ( -0.873 -0.896 -1.136) 1.690 8.308 ( -2.565 -0.847 -1.491) 3.085 8.532 ( 1.972 -1.239 1.073) 2.564 9.088 ( -14.878 5.903 2.809) 16.251 9.264 ( -11.336 1.061 -5.194) 12.514 9.456 ( -3.704 -1.922 -3.858) 5.683 9.795 ( -0.030 -5.318 -10.285) 11.578 9.965 ( 5.833 2.475 1.885) 6.611 10.064 ( 1.705 -0.164 4.895) 5.186 10.490 ( 4.015 1.485 -3.395) 5.464 10.628 ( 1.893 -3.139 -1.023) 3.806 10.667 ( -3.468 -3.195 1.833) 5.059 10.846 ( -0.885 -3.571 1.040) 3.823 11.042 ( -3.411 1.754 1.651) 4.176 11.407 ( 2.741 0.002 2.847) 3.952 11.653 ( -0.807 2.690 5.189) 5.900 11.900 ( -5.561 -2.526 -4.126) 7.371 11.923 ( -1.944 4.278 3.290) 5.736 12.007 ( 0.438 -3.726 3.433) 5.086 12.311 ( 0.925 12.509 -7.653) 14.693 12.469 ( -3.009 1.914 -7.469) 8.277 12.767 ( 9.240 2.680 -3.967) 10.407 12.927 ( 1.338 -2.019 10.468) 10.745 13.197 ( -10.030 -7.800 -0.835) 12.733 13.432 ( -6.917 11.749 -9.167) 16.429 13.484 ( -0.424 -1.872 -5.503) 5.828 13.545 ( -1.168 1.731 -0.997) 2.314 13.783 ( 5.278 -2.841 3.321) 6.853 14.270 ( -3.592 1.364 2.357) 4.508 14.590 ( -10.309 -2.531 -2.496) 10.904 14.980 ( -11.363 -14.603 0.043) 18.503 16.749 ( 14.804 6.366 5.880) 17.154 17.395 ( 22.578 10.088 11.135) 27.121 17.750 ( -2.620 -2.353 8.822) 9.499 17.815 ( 7.654 -2.889 -4.657) 9.414 20.894 ( -4.157 -0.715 3.783) 5.666 21.049 ( 3.657 1.553 -2.918) 4.930 21.574 ( 0.457 3.409 -3.424) 4.854 21.611 ( -4.724 6.157 -2.118) 8.044 21.763 ( -1.611 -1.181 -7.261) 7.531 22.560 ( 8.346 3.149 14.540) 17.059 22.666 ( -17.671 1.254 -9.344) 20.028 22.845 ( -8.264 -4.669 3.215) 10.022 23.111 ( 2.482 -6.423 2.003) 7.171 23.171 ( -6.225 -6.880 3.305) 9.849 23.627 ( -1.968 -2.124 -8.573) 9.049 23.750 ( -1.227 -0.191 -3.445) 3.662 23.843 ( 8.877 0.472 6.322) 10.908 23.891 ( 1.739 -0.029 3.969) 4.334 24.004 ( 3.686 0.415 3.652) 5.205 24.553 ( 13.539 6.079 -7.296) 16.538 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.929 -23.624 -9.055) 25.317 1.596 ( 5.793 -17.167 -10.338) 20.860 1.870 ( -3.809 -14.269 -8.573) 17.076 1.987 ( -0.365 -6.019 11.245) 12.760 2.117 ( 1.081 -1.921 6.771) 7.121 2.161 ( 17.179 -4.472 -14.508) 22.925 2.440 ( -4.130 -7.774 -2.826) 9.246 2.623 ( -2.663 -3.244 -10.087) 10.926 2.758 ( -7.314 -2.999 1.305) 8.012 2.799 ( -1.811 -6.204 4.123) 7.666 2.878 ( -5.204 -2.525 -2.000) 6.120 2.959 ( 3.262 -4.399 3.329) 6.409 3.156 ( 0.601 0.308 8.293) 8.320 3.290 ( -3.022 0.453 -2.437) 3.909 3.464 ( 0.643 1.640 1.849) 2.554 3.600 ( 1.198 1.009 -4.469) 4.735 3.690 ( 3.475 -6.121 3.028) 7.662 3.759 ( 1.144 1.962 9.206) 9.482 3.876 ( -1.661 -4.140 -1.236) 4.629 3.980 ( -2.807 -3.600 -1.562) 4.825 4.163 ( -3.838 -8.128 -2.181) 9.249 4.261 ( 0.226 -0.336 -4.432) 4.450 4.373 ( 8.307 5.200 -0.776) 9.831 4.611 ( -5.084 2.887 4.721) 7.515 4.820 ( -2.115 1.436 -4.223) 4.937 5.025 ( 4.531 6.559 -1.923) 8.200 5.196 ( -2.756 0.082 2.976) 4.057 5.237 ( -0.207 -4.172 2.885) 5.077 5.354 ( -0.418 -1.785 5.352) 5.657 5.455 ( -0.421 4.725 -2.803) 5.511 5.553 ( 2.670 5.416 0.239) 6.043 5.624 ( -0.079 2.535 3.286) 4.151 5.691 ( 1.695 1.990 -1.143) 2.853 5.762 ( 1.337 -0.591 -1.163) 1.868 5.974 ( -0.181 2.515 -3.339) 4.184 6.210 ( 8.149 0.398 6.940) 10.711 6.370 ( -5.280 2.090 7.895) 9.725 6.472 ( -1.349 2.034 -3.416) 4.198 6.695 ( 0.144 -2.965 -3.353) 4.478 6.944 ( 1.885 -1.732 -3.205) 4.102 7.625 ( 0.267 5.853 3.655) 6.905 7.779 ( 1.913 2.040 -1.075) 2.996 7.812 ( -0.508 2.058 0.225) 2.132 7.859 ( 3.656 4.771 1.683) 6.242 8.086 ( -1.719 0.544 2.685) 3.234 8.160 ( -1.566 -4.067 -0.428) 4.379 8.321 ( -0.353 -2.015 -1.644) 2.625 8.548 ( -0.456 1.467 0.268) 1.559 8.963 ( -8.575 -3.374 2.644) 9.587 9.130 ( -4.991 1.682 -3.075) 6.099 9.485 ( -5.773 -6.738 -4.795) 10.086 9.794 ( 5.054 3.134 -6.255) 8.631 9.984 ( 8.425 4.214 -1.382) 9.521 10.110 ( -8.927 -7.935 3.339) 12.402 10.490 ( 4.636 0.442 -1.875) 5.020 10.673 ( -1.276 -2.128 2.597) 3.592 10.778 ( 1.982 -6.592 -0.108) 6.884 10.877 ( -5.600 -2.706 -3.600) 7.186 11.015 ( 0.470 1.160 5.366) 5.510 11.436 ( -2.160 -1.871 1.065) 3.050 11.629 ( 4.408 3.828 -3.151) 6.634 11.768 ( 0.284 7.038 1.235) 7.151 11.899 ( -5.651 -0.683 0.332) 5.702 12.119 ( -4.657 -6.540 3.645) 8.817 12.134 ( 3.734 4.920 -3.543) 7.120 12.386 ( -2.176 0.302 -5.970) 6.362 12.766 ( 8.016 2.580 -3.979) 9.313 12.890 ( -3.309 8.306 9.964) 13.388 13.060 ( -6.885 10.737 -9.102) 15.670 13.240 ( -1.101 -0.477 -6.233) 6.347 13.527 ( -0.474 -4.477 -0.775) 4.568 13.541 ( 2.032 0.606 2.708) 3.440 13.970 ( 5.429 -6.522 4.844) 9.771 14.244 ( -3.480 -0.391 1.727) 3.905 14.573 ( -7.756 -5.143 -1.127) 9.374 15.150 ( -12.614 -13.570 -0.112) 18.528 16.740 ( 15.413 10.855 4.169) 19.307 17.339 ( 11.269 14.303 5.308) 18.966 17.823 ( -2.360 -2.476 7.994) 8.695 17.895 ( 4.817 -1.780 -3.462) 6.193 20.875 ( -3.746 1.516 2.996) 5.030 21.015 ( 2.617 1.644 -4.871) 5.769 21.471 ( -1.955 3.598 -2.506) 4.801 21.549 ( 1.943 -0.319 0.040) 1.970 21.747 ( -1.338 -2.269 -5.988) 6.542 22.330 ( -12.740 7.781 -7.551) 16.729 22.714 ( 1.851 -2.750 7.818) 8.492 22.937 ( -2.379 -6.213 2.877) 7.248 23.240 ( -3.054 -4.826 3.120) 6.508 23.311 ( 2.721 -8.756 3.013) 9.651 23.627 ( -2.008 -3.302 -5.932) 7.080 23.731 ( -1.733 -1.061 -3.474) 4.024 23.891 ( 1.241 0.623 3.494) 3.760 23.935 ( 1.705 0.139 4.068) 4.413 24.048 ( 6.650 2.984 5.141) 8.920 24.457 ( 8.506 9.800 -6.553) 14.538 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 4.449 -10.925 -9.398) 15.082 1.930 ( 4.809 -8.262 -6.154) 11.369 2.066 ( 3.198 -6.311 -0.476) 7.092 2.106 ( -6.934 -10.247 3.641) 12.897 2.202 ( -0.131 -2.740 5.843) 6.455 2.329 ( 10.119 -6.349 -3.362) 12.409 2.435 ( -1.322 1.477 0.898) 2.176 2.620 ( -6.832 -4.774 -6.116) 10.338 2.768 ( 0.496 -3.454 2.380) 4.224 2.827 ( -5.681 0.235 -0.520) 5.709 2.986 ( 0.583 -1.994 3.888) 4.409 3.048 ( 0.324 -1.842 1.143) 2.192 3.174 ( -5.666 -0.552 -3.402) 6.632 3.258 ( 0.611 -3.572 3.724) 5.196 3.456 ( 2.777 3.373 6.118) 7.518 3.584 ( 1.793 -1.708 -4.555) 5.184 3.720 ( -2.105 2.490 8.853) 9.434 3.903 ( -5.531 -2.481 -3.383) 6.941 3.924 ( 4.525 -5.393 -7.282) 10.129 4.010 ( -4.839 -3.572 -6.773) 9.058 4.133 ( -0.600 -1.663 1.226) 2.152 4.382 ( 7.967 -5.040 -10.955) 14.453 4.419 ( 2.302 -4.810 6.795) 8.637 4.532 ( -4.312 3.955 2.960) 6.557 4.729 ( -0.986 3.502 1.132) 3.810 5.006 ( 5.850 0.808 3.630) 6.932 5.111 ( -8.394 2.533 0.994) 8.825 5.299 ( 2.109 0.452 4.323) 4.832 5.351 ( -0.763 2.860 -3.991) 4.969 5.457 ( 3.270 3.995 -3.040) 5.991 5.483 ( 5.967 -3.219 -0.066) 6.780 5.649 ( 0.360 1.415 1.477) 2.077 5.676 ( 2.813 0.617 2.474) 3.797 5.779 ( -6.525 -1.348 6.239) 9.128 5.878 ( 2.116 4.443 -5.530) 7.403 6.237 ( -1.968 3.276 4.127) 5.625 6.365 ( 1.798 0.005 5.822) 6.093 6.433 ( 0.660 0.099 -3.725) 3.784 6.692 ( -1.082 0.883 -1.609) 2.131 6.940 ( -2.250 0.149 -4.004) 4.595 7.543 ( -0.494 3.384 2.734) 4.379 7.682 ( -1.987 3.703 -1.925) 4.622 7.763 ( 4.334 6.356 -0.044) 7.694 7.865 ( 3.694 -0.706 0.172) 3.765 8.017 ( -0.609 4.552 3.789) 5.953 8.235 ( -2.414 -3.293 0.645) 4.134 8.358 ( -0.345 -3.421 -0.766) 3.522 8.471 ( -3.772 3.406 -0.467) 5.103 9.019 ( 2.755 -2.382 -5.583) 6.666 9.170 ( 1.507 -5.615 12.086) 13.412 9.517 ( -9.371 -6.054 -5.339) 12.368 9.733 ( 6.101 4.236 -4.238) 8.552 9.922 ( 5.026 6.934 -1.501) 8.694 10.219 ( -11.409 -10.625 -2.296) 15.758 10.527 ( 5.207 0.090 -0.587) 5.241 10.689 ( -2.492 1.133 4.855) 5.574 10.854 ( -2.484 -3.188 -3.685) 5.469 10.921 ( 1.081 -3.978 -1.656) 4.443 11.046 ( 3.568 -0.927 4.877) 6.113 11.452 ( -4.541 -2.205 -0.150) 5.051 11.537 ( 5.240 6.848 -1.369) 8.730 11.704 ( -0.652 1.010 -0.659) 1.371 11.862 ( -0.097 1.991 0.930) 2.200 12.075 ( -1.898 0.972 -1.101) 2.400 12.229 ( -4.155 -6.900 1.491) 8.191 12.374 ( -1.512 -3.140 -3.680) 5.069 12.698 ( -0.127 9.164 -0.693) 9.191 12.773 ( -1.376 2.334 0.939) 2.867 12.886 ( 2.638 2.983 1.537) 4.269 13.180 ( 0.011 0.877 -7.451) 7.503 13.569 ( 4.699 0.627 1.104) 4.867 13.611 ( 2.656 -2.666 1.364) 4.003 14.092 ( -0.618 -1.764 2.046) 2.771 14.230 ( -5.467 -0.858 1.832) 5.829 14.648 ( 1.344 -5.667 0.561) 5.851 15.260 ( -13.381 -10.186 -0.891) 16.840 16.667 ( 14.101 11.616 2.210) 18.402 17.161 ( 1.726 11.525 1.699) 11.777 17.876 ( -2.525 -1.088 6.345) 6.915 17.927 ( 2.907 -0.484 -4.316) 5.226 20.830 ( -0.730 1.444 1.649) 2.310 20.993 ( 0.354 0.133 -2.962) 2.986 21.419 ( 0.193 0.496 -0.915) 1.059 21.578 ( 0.262 -0.429 0.374) 0.627 21.766 ( -0.486 -3.375 -3.151) 4.642 22.086 ( -9.922 3.417 -6.532) 12.361 22.812 ( 4.998 -0.513 7.088) 8.689 23.036 ( -0.174 -4.123 0.637) 4.176 23.324 ( 0.518 -3.316 3.907) 5.150 23.498 ( 2.094 -6.387 2.226) 7.081 23.642 ( -2.538 -2.922 -2.927) 4.852 23.723 ( -2.296 -1.860 -2.994) 4.206 23.902 ( 0.036 0.136 1.671) 1.677 23.949 ( -0.370 0.756 1.724) 1.919 24.039 ( 4.558 5.044 2.665) 7.302 24.289 ( 2.900 9.235 -4.773) 10.793 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 4.154 2.982 -4.307) 6.686 2.020 ( -0.354 -1.321 0.731) 1.550 2.076 ( -3.472 -0.683 -2.673) 4.434 2.142 ( -3.206 3.869 0.128) 5.027 2.367 ( 1.866 3.405 7.496) 8.442 2.381 ( 3.138 -7.305 2.905) 8.464 2.577 ( 9.185 -5.770 5.113) 11.992 2.634 ( -5.199 -4.895 -4.444) 8.411 2.716 ( -5.453 6.071 1.440) 8.286 2.879 ( 4.541 -2.901 2.950) 6.142 2.968 ( 1.004 0.755 5.169) 5.319 3.124 ( -1.778 -5.069 -4.137) 6.780 3.183 ( 1.038 -6.366 -6.526) 9.176 3.324 ( -1.758 0.073 0.234) 1.775 3.386 ( 4.469 8.749 2.122) 10.051 3.621 ( 2.733 0.208 -0.618) 2.810 3.701 ( -3.236 0.927 3.657) 4.971 3.807 ( -7.448 2.349 -4.571) 9.048 3.929 ( -1.836 1.445 -6.862) 7.249 3.964 ( -9.651 -1.933 -3.985) 10.619 4.216 ( 8.501 -0.786 -1.474) 8.663 4.371 ( -7.514 4.438 3.412) 9.370 4.510 ( 1.317 -2.468 3.069) 4.153 4.563 ( 4.977 -3.936 -5.751) 8.564 4.728 ( 3.101 0.588 5.888) 6.681 4.993 ( 0.217 4.625 3.435) 5.765 5.116 ( 1.064 -3.891 2.683) 4.844 5.289 ( 0.004 -0.012 -3.905) 3.905 5.323 ( 1.914 0.052 3.778) 4.236 5.433 ( 3.666 0.629 -3.803) 5.320 5.540 ( 1.646 1.966 -0.515) 2.615 5.568 ( -3.170 0.483 -4.318) 5.379 5.684 ( -0.196 3.055 4.414) 5.371 5.811 ( -1.169 -1.229 -3.157) 3.584 5.836 ( 3.076 -0.272 5.767) 6.542 6.175 ( -5.821 1.389 0.285) 5.991 6.364 ( 2.159 3.230 -0.924) 3.994 6.422 ( 0.764 0.279 -2.397) 2.531 6.674 ( -2.339 -1.029 4.294) 4.997 6.872 ( -4.160 -0.021 -6.850) 8.014 7.534 ( 1.445 -0.507 1.857) 2.407 7.645 ( -0.759 -1.993 -2.312) 3.145 7.708 ( 3.429 2.574 0.964) 4.394 7.861 ( -1.836 2.235 1.370) 3.201 8.022 ( 6.213 -1.079 1.011) 6.386 8.282 ( -1.684 -2.829 0.576) 3.342 8.328 ( -4.158 2.783 1.015) 5.105 8.454 ( -1.157 -2.930 -1.158) 3.357 9.089 ( 8.425 -3.215 -3.021) 9.511 9.333 ( 6.892 1.096 11.747) 13.663 9.494 ( -11.126 -3.226 -2.401) 11.830 9.729 ( 2.153 0.740 -2.055) 3.067 9.823 ( 2.683 2.985 -1.169) 4.180 10.244 ( -10.795 -4.899 -7.901) 14.246 10.546 ( 3.376 2.321 3.332) 5.281 10.700 ( -0.437 -1.309 3.111) 3.404 10.822 ( -1.906 1.819 -3.489) 4.372 10.935 ( -2.421 -0.067 -0.851) 2.567 11.153 ( 7.471 0.769 4.227) 8.619 11.391 ( -0.860 3.859 -4.534) 6.016 11.538 ( 1.324 -2.430 5.470) 6.130 11.718 ( -3.011 -3.961 -2.029) 5.374 11.840 ( 4.576 1.499 0.442) 4.835 12.037 ( -2.941 0.322 -1.332) 3.245 12.303 ( -2.828 -2.972 -1.185) 4.270 12.411 ( -4.326 -4.821 -2.467) 6.931 12.574 ( 1.229 3.906 1.905) 4.516 12.701 ( -4.363 1.351 1.187) 4.719 12.978 ( 7.243 -4.715 4.611) 9.795 13.173 ( 1.182 -3.823 -5.783) 7.032 13.602 ( 8.546 2.076 -0.797) 8.830 13.675 ( 3.970 -0.119 1.801) 4.361 14.064 ( -3.409 2.604 -0.656) 4.340 14.194 ( -8.045 -0.170 1.686) 8.221 14.787 ( 9.117 -3.358 1.558) 9.840 15.287 ( -13.886 -5.808 -2.126) 15.201 16.593 ( 12.242 8.472 0.629) 14.901 16.980 ( -6.562 5.920 -0.182) 8.840 17.884 ( -0.751 1.048 1.944) 2.333 17.919 ( 0.010 0.943 -1.923) 2.142 20.846 ( 1.862 -1.344 2.572) 3.448 20.981 ( -1.310 -0.615 -1.662) 2.204 21.427 ( 1.511 -0.278 0.384) 1.584 21.555 ( -2.191 1.239 -1.853) 3.125 21.816 ( -0.230 -1.926 1.957) 2.756 21.990 ( -5.924 -4.240 -6.490) 9.757 22.893 ( 6.404 1.083 6.621) 9.275 23.085 ( 1.391 -0.847 -2.369) 2.875 23.410 ( 4.470 -1.278 4.708) 6.617 23.557 ( 1.518 2.239 -1.117) 2.927 23.673 ( -2.247 -2.694 0.470) 3.539 23.741 ( -3.890 -4.215 -1.312) 5.884 23.900 ( -0.617 1.137 0.856) 1.552 23.902 ( 0.104 3.959 -0.136) 3.963 24.001 ( 2.055 2.437 0.173) 3.193 24.143 ( -2.932 3.556 -2.764) 5.374 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.723 9.747 -4.954) 11.910 1.850 ( -8.868 11.491 2.244) 14.687 2.031 ( -3.911 6.748 7.089) 10.540 2.061 ( 0.882 4.073 -3.935) 5.732 2.345 ( 6.910 5.726 5.503) 10.527 2.496 ( 2.545 0.382 0.653) 2.655 2.549 ( -3.948 5.382 3.053) 7.340 2.658 ( -4.176 -1.571 -4.066) 6.036 2.781 ( 9.311 -2.680 10.438) 14.242 2.942 ( 2.497 0.561 -0.847) 2.696 3.022 ( 2.519 -0.000 3.703) 4.478 3.134 ( -3.231 -0.800 -5.871) 6.749 3.218 ( 1.144 8.259 -1.695) 8.509 3.247 ( -2.078 3.746 -4.302) 6.071 3.371 ( 4.289 -4.238 5.997) 8.504 3.540 ( -5.948 2.734 -4.988) 8.230 3.641 ( 0.556 4.728 -0.644) 4.804 3.686 ( 0.698 6.340 -4.001) 7.530 3.844 ( -3.077 -1.567 0.320) 3.468 3.923 ( -7.161 -4.305 -4.805) 9.639 4.232 ( 4.729 4.617 -2.800) 7.178 4.266 ( -4.994 4.414 5.192) 8.448 4.571 ( 2.924 -1.877 5.174) 6.232 4.616 ( 2.381 -2.515 -4.557) 5.724 4.771 ( 0.826 0.774 5.667) 5.779 4.898 ( -1.887 4.821 -4.993) 7.193 5.233 ( 3.638 -5.085 4.406) 7.649 5.315 ( 0.134 -3.896 -2.448) 4.604 5.404 ( 2.131 -2.845 5.648) 6.674 5.434 ( 1.761 -0.312 -2.255) 2.878 5.471 ( -1.283 2.775 0.362) 3.078 5.541 ( -2.825 -1.864 -5.919) 6.818 5.678 ( 5.079 1.366 1.210) 5.397 5.779 ( -3.221 2.158 0.348) 3.893 5.897 ( 0.902 -0.544 4.950) 5.061 6.040 ( -6.212 5.334 -5.202) 9.701 6.359 ( 4.215 -1.730 -1.767) 4.887 6.425 ( -3.178 -2.583 -1.184) 4.263 6.737 ( 0.310 -3.038 6.400) 7.091 6.833 ( -2.638 -2.633 -6.172) 7.210 7.592 ( 4.032 -2.239 1.166) 4.757 7.677 ( -2.699 -3.545 -2.793) 5.258 7.745 ( 1.904 -1.774 3.099) 4.046 7.807 ( -1.970 1.391 -0.765) 2.530 8.114 ( 6.258 -2.036 -2.061) 6.896 8.210 ( -6.910 1.765 1.675) 7.326 8.376 ( 4.176 -1.704 2.196) 5.017 8.469 ( -3.448 -1.484 -1.663) 4.106 9.238 ( 13.004 -3.526 -3.337) 13.880 9.391 ( 9.812 3.389 7.758) 12.959 9.459 ( -14.885 -4.793 1.795) 15.740 9.600 ( -6.025 4.519 -4.459) 8.752 9.929 ( 6.431 -2.800 7.546) 10.302 10.157 ( -7.053 0.090 -10.529) 12.674 10.544 ( 2.951 3.058 5.714) 7.121 10.669 ( -5.386 2.214 -3.520) 6.804 10.815 ( 3.850 -0.657 1.248) 4.100 10.898 ( -2.046 1.038 -1.993) 3.039 11.162 ( 4.505 4.369 4.785) 7.892 11.280 ( -3.594 3.103 -5.003) 6.898 11.646 ( 1.737 -2.826 4.184) 5.339 11.711 ( -0.836 0.081 -2.463) 2.602 11.931 ( 4.388 -4.441 -0.781) 6.292 12.002 ( -4.500 -0.205 1.139) 4.647 12.306 ( 5.028 -0.101 -1.935) 5.388 12.427 ( -8.734 -4.081 -1.920) 9.829 12.602 ( 0.760 -1.979 8.424) 8.686 12.692 ( -0.331 -3.466 -6.809) 7.647 13.190 ( 2.443 -8.197 9.186) 12.552 13.272 ( 1.716 -7.913 -5.696) 9.900 13.630 ( 10.464 2.727 -1.633) 10.936 13.700 ( 2.083 1.281 1.836) 3.058 13.957 ( 2.062 6.199 -1.079) 6.621 14.113 ( -11.510 0.510 0.178) 11.523 14.934 ( 13.865 -0.562 2.658) 14.129 15.218 ( -14.360 -1.170 -3.077) 14.732 16.581 ( 12.239 3.831 -0.220) 12.826 16.821 ( -14.010 1.805 -0.981) 14.159 17.849 ( 2.162 2.897 -2.673) 4.496 17.871 ( -3.178 2.641 1.911) 4.552 20.921 ( 3.665 -2.394 0.724) 4.437 20.978 ( -2.801 -1.144 0.785) 3.126 21.452 ( 1.806 -0.968 0.230) 2.062 21.505 ( -2.926 0.028 -1.225) 3.172 21.878 ( 2.617 -2.571 5.853) 6.907 22.024 ( -5.662 -6.873 -7.792) 11.833 22.941 ( 4.678 2.978 6.917) 8.866 23.053 ( 0.665 2.839 -6.746) 7.350 23.472 ( 2.377 7.200 1.446) 7.719 23.486 ( 5.762 2.061 0.588) 6.148 23.699 ( 0.502 -1.889 1.393) 2.400 23.771 ( -3.405 -2.103 0.873) 4.096 23.840 ( -0.394 2.002 1.283) 2.410 23.863 ( -0.846 2.063 -1.505) 2.690 23.981 ( 2.141 0.965 0.574) 2.418 24.087 ( -7.941 -3.181 -2.453) 8.899 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 5.623 11.883 -5.403) 14.213 1.577 ( -5.623 11.883 5.403) 14.213 1.880 ( 7.098 10.395 -12.016) 17.402 1.880 ( -7.098 10.395 12.016) 17.402 2.329 ( -9.225 9.076 -6.175) 14.339 2.329 ( 9.225 9.076 6.175) 14.339 2.523 ( -3.124 6.519 -17.049) 18.518 2.523 ( 3.124 6.519 17.049) 18.518 2.859 ( -8.234 9.943 -4.249) 13.591 2.859 ( 8.234 9.943 4.249) 13.591 3.041 ( -3.511 1.198 -7.040) 7.957 3.041 ( 3.511 1.198 7.040) 7.957 3.089 ( 1.375 2.125 -3.347) 4.196 3.089 ( -1.375 2.125 3.347) 4.196 3.509 ( 0.401 -2.595 -7.396) 7.848 3.509 ( -0.401 -2.595 7.396) 7.848 3.601 ( 0.327 -0.367 -4.395) 4.423 3.601 ( -0.327 -0.367 4.395) 4.423 3.927 ( -5.084 -3.276 -5.157) 7.948 3.927 ( 5.084 -3.276 5.157) 7.948 4.158 ( 3.726 3.832 -3.040) 6.149 4.158 ( -3.726 3.832 3.040) 6.149 4.653 ( -0.886 0.510 -6.482) 6.562 4.653 ( 0.886 0.510 6.482) 6.562 4.787 ( -1.222 -1.383 -1.747) 2.541 4.787 ( 1.222 -1.383 1.747) 2.541 5.334 ( -1.849 2.518 -3.316) 4.555 5.334 ( 1.849 2.518 3.316) 4.555 5.479 ( -0.620 -1.808 -7.876) 8.105 5.479 ( 0.620 -1.808 7.876) 8.105 5.520 ( 1.759 -6.514 -4.415) 8.064 5.520 ( -1.759 -6.514 4.415) 8.064 5.691 ( -1.418 2.439 -0.721) 2.912 5.691 ( 1.418 2.439 0.721) 2.912 5.957 ( 0.383 -4.520 -3.257) 5.585 5.957 ( -0.383 -4.520 3.257) 5.585 6.428 ( 5.489 -0.831 -6.777) 8.761 6.428 ( -5.489 -0.831 6.777) 8.761 6.829 ( -2.859 -1.101 -3.840) 4.913 6.829 ( 2.859 -1.101 3.840) 4.913 7.682 ( -1.026 -1.406 -3.837) 4.214 7.682 ( 1.026 -1.406 3.837) 4.214 7.790 ( 2.156 -1.311 -4.480) 5.142 7.790 ( -2.156 -1.311 4.480) 5.142 8.153 ( 1.983 1.314 -1.143) 2.640 8.153 ( -1.983 1.314 1.143) 2.640 8.438 ( -3.777 0.205 -2.655) 4.621 8.438 ( 3.777 0.205 2.655) 4.621 9.367 ( -10.614 -0.213 -1.780) 10.764 9.367 ( 10.614 -0.213 1.780) 10.764 9.533 ( -10.117 -5.261 -1.989) 11.576 9.533 ( 10.117 -5.261 1.989) 11.576 10.032 ( 0.782 2.306 -14.785) 14.984 10.032 ( -0.782 2.306 14.785) 14.984 10.558 ( -3.130 1.954 -7.004) 7.916 10.558 ( 3.130 1.954 7.004) 7.916 10.835 ( -1.164 2.654 -2.882) 4.087 10.835 ( 1.164 2.654 2.882) 4.087 11.175 ( -5.247 0.840 -4.603) 7.031 11.175 ( 5.247 0.840 4.603) 7.031 11.706 ( 3.332 -1.723 -5.068) 6.305 11.706 ( -3.332 -1.723 5.068) 6.305 11.991 ( 3.122 -0.281 -4.223) 5.259 11.991 ( -3.122 -0.281 4.223) 5.259 12.425 ( -8.034 -5.059 -2.673) 9.863 12.425 ( 8.034 -5.059 2.673) 9.863 12.703 ( -0.013 -1.929 -11.605) 11.764 12.703 ( 0.013 -1.929 11.605) 11.764 13.373 ( -1.892 -4.535 -5.774) 7.582 13.373 ( 1.892 -4.535 5.774) 7.582 13.655 ( -2.673 2.092 -3.739) 5.050 13.655 ( 2.673 2.092 3.739) 5.050 13.988 ( -16.488 -1.947 -4.456) 17.190 13.988 ( 16.488 -1.947 4.456) 17.190 15.057 ( -9.286 3.128 -7.279) 12.206 15.057 ( 9.286 3.128 7.279) 12.206 16.660 ( -0.444 0.523 -10.943) 10.964 16.660 ( 0.444 0.523 10.943) 10.964 17.794 ( 5.449 3.660 -7.109) 9.677 17.794 ( -5.449 3.660 7.109) 9.677 20.975 ( 4.547 -0.295 -3.593) 5.803 20.975 ( -4.547 -0.295 3.593) 5.803 21.519 ( -1.186 -4.559 -1.718) 5.014 21.519 ( 1.186 -4.559 1.718) 5.014 22.028 ( -7.207 -4.088 -10.307) 13.225 22.028 ( 7.207 -4.088 10.307) 13.225 22.934 ( -1.346 4.490 -7.969) 9.245 22.934 ( 1.346 4.490 7.969) 9.245 23.360 ( -5.016 8.991 -3.013) 10.727 23.360 ( 5.016 8.991 3.013) 10.727 23.783 ( -1.645 -0.616 -3.250) 3.694 23.783 ( 1.645 -0.616 3.250) 3.694 23.823 ( 0.103 -0.109 -0.828) 0.841 23.823 ( -0.103 -0.109 0.828) 0.841 24.062 ( -10.609 -4.138 -4.021) 12.077 24.062 ( 10.609 -4.138 4.021) 12.077 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 1.730 -0.000 -9.280) 9.440 1.205 ( 5.852 -0.000 -23.321) 24.044 1.371 ( -7.267 0.000 -5.859) 9.335 1.868 ( 5.633 -0.000 11.290) 12.618 2.009 ( 6.940 -0.000 -0.440) 6.954 2.135 ( -1.821 0.000 -6.941) 7.176 2.187 ( 18.736 -0.000 -11.325) 21.893 2.475 ( -2.215 0.000 12.843) 13.033 2.637 ( -9.799 0.000 -11.918) 15.429 2.669 ( 5.842 -0.000 -7.648) 9.624 2.847 ( -3.104 0.000 -0.411) 3.131 3.039 ( -11.456 0.000 3.663) 12.028 3.146 ( -1.288 0.000 11.109) 11.183 3.315 ( 3.004 -0.000 -8.358) 8.882 3.348 ( 6.813 -0.000 3.065) 7.471 3.458 ( 2.679 -0.000 -4.954) 5.632 3.754 ( -7.734 0.000 -3.504) 8.491 3.839 ( 0.829 -0.000 2.485) 2.620 3.848 ( 2.386 -0.000 8.580) 8.905 3.860 ( -1.588 0.000 4.827) 5.082 4.011 ( -6.343 0.000 0.080) 6.343 4.334 ( -3.146 0.000 2.089) 3.776 4.441 ( 2.445 -0.000 -3.476) 4.250 4.774 ( -6.839 0.000 -1.006) 6.913 4.798 ( 2.760 -0.000 -2.087) 3.460 5.026 ( -1.312 0.000 9.837) 9.924 5.164 ( 10.885 -0.000 0.086) 10.885 5.200 ( -2.419 0.000 5.219) 5.752 5.416 ( 1.185 -0.000 2.587) 2.846 5.521 ( -2.148 0.000 -1.585) 2.669 5.703 ( 0.222 -0.000 8.256) 8.259 5.705 ( -0.339 0.000 -3.358) 3.375 5.793 ( -12.062 0.000 -10.757) 16.162 5.945 ( 8.707 -0.000 -4.461) 9.784 5.975 ( 0.859 -0.000 -5.569) 5.635 6.187 ( 15.077 -0.000 6.693) 16.496 6.339 ( -9.621 0.000 9.505) 13.524 6.460 ( 2.369 -0.000 -8.696) 9.013 6.651 ( -7.307 0.000 6.482) 9.767 6.828 ( 10.988 -0.000 -11.204) 15.693 7.720 ( 4.067 -0.000 1.714) 4.414 7.772 ( 1.501 -0.000 4.510) 4.754 7.898 ( 0.342 -0.000 5.868) 5.878 7.923 ( 4.599 -0.000 -1.735) 4.916 7.995 ( 1.365 -0.000 -0.111) 1.370 8.113 ( -3.407 0.000 -3.056) 4.577 8.275 ( -2.192 0.000 -0.293) 2.212 8.536 ( 1.158 -0.000 0.546) 1.280 9.079 ( -19.915 0.000 9.745) 22.172 9.111 ( -7.313 0.000 -7.698) 10.617 9.374 ( -7.286 0.000 -7.267) 10.291 9.595 ( -6.049 0.000 -14.312) 15.538 10.019 ( 2.936 -0.000 2.255) 3.702 10.172 ( 8.213 -0.000 2.392) 8.554 10.526 ( 3.031 -0.000 -2.167) 3.726 10.612 ( 3.253 -0.000 -0.556) 3.300 10.629 ( -1.014 0.000 1.861) 2.119 10.789 ( -4.225 0.000 0.988) 4.339 11.038 ( -4.202 0.000 2.562) 4.921 11.346 ( -8.531 0.000 -11.063) 13.971 11.732 ( -1.129 0.000 11.237) 11.294 11.829 ( 3.047 -0.000 0.249) 3.058 11.963 ( -2.249 0.000 4.380) 4.924 11.985 ( 0.011 -0.000 2.242) 2.242 12.433 ( -1.860 0.000 -6.031) 6.312 12.539 ( 5.896 -0.000 -14.967) 16.086 12.806 ( 1.812 -0.000 5.381) 5.678 12.839 ( 8.206 -0.000 -6.699) 10.593 13.126 ( -5.546 0.000 11.518) 12.784 13.412 ( -0.847 0.000 -8.138) 8.182 13.481 ( -3.990 0.000 -7.334) 8.349 13.584 ( 1.354 -0.000 4.126) 4.342 13.795 ( 4.650 -0.000 1.050) 4.767 14.238 ( -6.521 0.000 0.970) 6.593 14.512 ( -6.962 0.000 -2.608) 7.434 14.675 ( -15.092 0.000 0.827) 15.114 16.994 ( 19.392 -0.000 4.476) 19.902 17.728 ( 2.964 -0.000 11.826) 12.192 17.795 ( 7.446 -0.000 17.571) 19.083 17.813 ( 8.178 -0.000 -7.044) 10.794 20.877 ( -3.546 0.000 5.081) 6.196 21.081 ( 3.011 -0.000 -3.222) 4.410 21.568 ( -4.698 0.000 -8.416) 9.639 21.596 ( -0.987 0.000 -3.138) 3.290 21.758 ( -2.260 0.000 1.741) 2.853 22.326 ( -24.489 0.000 -21.080) 32.312 22.765 ( 3.976 -0.000 7.086) 8.125 22.778 ( 0.639 -0.000 4.728) 4.771 23.095 ( -3.769 0.000 10.034) 10.718 23.100 ( 4.389 -0.000 3.781) 5.793 23.543 ( -0.883 0.000 -9.722) 9.762 23.705 ( -2.385 0.000 -4.756) 5.321 23.919 ( 1.014 -0.000 3.230) 3.386 23.947 ( 1.949 -0.000 5.879) 6.194 24.131 ( 11.586 -0.000 15.208) 19.118 24.670 ( 11.620 -0.000 -10.904) 15.935 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.662 -26.286 -3.524) 26.573 1.329 ( 13.542 -12.669 -8.865) 20.555 1.469 ( -4.755 -16.863 -8.998) 19.696 1.993 ( 3.396 -4.900 6.284) 8.662 2.109 ( 7.898 -0.870 -5.919) 9.908 2.158 ( -0.091 -10.483 -2.412) 10.758 2.250 ( 6.188 1.637 -2.050) 6.721 2.472 ( -7.972 -1.659 -10.962) 13.655 2.628 ( 0.029 -7.400 8.176) 11.027 2.700 ( -2.262 -2.459 -5.824) 6.714 2.817 ( -5.225 1.157 1.034) 5.451 2.978 ( 1.017 -0.450 1.681) 2.016 3.177 ( -1.944 -1.212 7.661) 7.997 3.285 ( 2.257 1.482 -2.128) 3.438 3.480 ( 5.346 -1.466 -3.814) 6.729 3.508 ( -2.633 -7.895 -0.916) 8.373 3.619 ( -5.773 0.783 -4.759) 7.522 3.838 ( -0.313 0.380 0.603) 0.779 3.871 ( 0.991 2.960 6.466) 7.180 3.929 ( 0.856 -1.697 4.249) 4.655 4.026 ( -1.800 -3.891 1.092) 4.424 4.255 ( -1.390 3.302 -0.908) 3.696 4.461 ( 1.114 -0.722 -1.676) 2.138 4.675 ( -6.027 4.087 0.631) 7.309 4.786 ( 0.660 -0.247 -3.625) 3.693 5.042 ( -5.829 0.113 0.814) 5.887 5.199 ( -3.376 1.542 4.643) 5.944 5.277 ( 11.686 0.041 -1.255) 11.753 5.404 ( 1.093 2.610 7.441) 7.961 5.505 ( -1.705 1.227 -2.729) 3.444 5.596 ( -0.392 0.759 0.628) 1.061 5.703 ( -2.436 0.113 -8.115) 8.473 5.726 ( 2.932 3.696 7.619) 8.961 5.863 ( 3.390 8.048 0.138) 8.734 5.988 ( 4.790 0.349 -4.457) 6.552 6.338 ( -2.593 -2.881 0.677) 3.935 6.356 ( 9.150 1.025 12.401) 15.446 6.532 ( -6.199 4.683 1.367) 7.888 6.548 ( -2.598 -6.798 -2.674) 7.753 6.893 ( 5.734 -2.690 -8.942) 10.958 7.755 ( 4.509 2.478 3.000) 5.956 7.818 ( 0.002 2.042 2.737) 3.415 7.837 ( -1.216 1.905 -0.721) 2.373 7.975 ( 4.692 1.417 1.847) 5.237 8.042 ( 0.804 -3.697 -0.860) 3.880 8.105 ( -1.626 -2.679 0.061) 3.134 8.271 ( -0.300 -0.990 -0.019) 1.035 8.550 ( -0.933 -0.443 0.225) 1.057 8.910 ( -10.535 2.923 6.576) 12.759 9.059 ( -5.586 -1.800 -4.481) 7.384 9.292 ( -8.815 -3.905 -5.180) 10.945 9.596 ( -8.486 -12.614 -14.795) 21.214 10.025 ( 3.058 3.727 2.834) 5.592 10.193 ( 5.865 4.861 0.490) 7.634 10.528 ( 2.435 0.731 0.013) 2.543 10.646 ( 0.708 -1.545 2.806) 3.280 10.699 ( 5.578 -4.839 -0.542) 7.405 10.769 ( -6.796 -1.766 -1.351) 7.150 11.019 ( -3.673 -0.837 2.669) 4.616 11.246 ( -10.509 -5.933 -13.400) 18.033 11.775 ( 4.731 2.853 7.951) 9.682 11.840 ( -0.054 1.911 4.759) 5.128 11.928 ( -1.088 4.227 3.741) 5.748 12.045 ( 1.074 -2.201 2.998) 3.871 12.311 ( 7.552 11.468 -10.838) 17.494 12.374 ( -1.179 2.486 -4.149) 4.978 12.838 ( 5.497 2.006 -5.779) 8.224 13.005 ( -1.087 -7.315 -2.909) 7.947 13.069 ( -5.782 7.255 9.506) 13.282 13.292 ( -0.140 8.905 -7.298) 11.514 13.434 ( 0.583 -3.870 -0.760) 3.987 13.588 ( 1.686 0.939 2.587) 3.227 13.936 ( 6.667 -5.872 4.661) 10.033 14.194 ( -5.786 -0.630 0.054) 5.821 14.421 ( -7.179 -2.402 -0.919) 7.626 14.750 ( -13.970 -14.988 -0.647) 20.499 17.103 ( 19.562 8.324 3.771) 21.591 17.719 ( 3.689 10.553 6.533) 12.948 17.820 ( 0.549 -0.013 6.773) 6.795 17.899 ( 2.044 0.554 2.850) 3.551 20.880 ( -3.523 0.084 6.097) 7.042 21.051 ( 2.191 2.600 -6.580) 7.407 21.476 ( -2.830 1.709 -5.539) 6.450 21.579 ( -0.291 0.120 -1.264) 1.303 21.679 ( -1.724 2.219 -3.518) 4.503 22.119 ( -18.008 -5.679 -17.493) 25.740 22.787 ( 3.559 0.728 8.262) 9.025 22.868 ( 2.116 -2.773 2.567) 4.331 23.164 ( -2.253 -3.792 8.865) 9.901 23.223 ( 3.817 -5.781 6.198) 9.295 23.514 ( -0.487 -2.690 -8.922) 9.331 23.667 ( -2.685 -1.091 -4.967) 5.751 23.934 ( 0.816 0.887 2.704) 2.961 23.970 ( 0.035 0.490 3.157) 3.195 24.257 ( 7.512 5.392 16.554) 18.961 24.636 ( 8.433 6.227 -11.438) 15.515 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.045 -22.147 -4.369) 22.778 1.686 ( 3.039 -15.155 -8.228) 17.510 1.760 ( 5.063 -20.053 1.353) 20.726 2.113 ( 7.175 1.882 -9.805) 12.295 2.187 ( -0.401 -7.504 8.528) 11.367 2.271 ( 1.454 -2.512 3.659) 4.670 2.372 ( -1.266 -10.169 2.156) 10.472 2.417 ( -4.646 -3.162 -10.677) 12.066 2.683 ( -0.833 -2.516 -3.005) 4.007 2.777 ( -6.486 -2.254 1.213) 6.972 2.818 ( -1.711 -8.145 4.599) 9.509 3.009 ( -2.026 -2.672 -0.928) 3.479 3.232 ( -0.625 3.396 1.282) 3.683 3.265 ( 0.953 0.600 5.851) 5.959 3.470 ( 0.998 -2.289 -1.362) 2.844 3.561 ( -1.051 -2.114 1.656) 2.884 3.726 ( -0.980 -9.146 -2.677) 9.580 3.835 ( -0.020 3.492 0.801) 3.583 3.848 ( 4.170 -0.741 -2.489) 4.912 3.910 ( -5.938 2.392 -4.522) 7.838 4.098 ( 4.345 -4.330 2.458) 6.609 4.271 ( 1.429 -3.821 -1.706) 4.422 4.455 ( 1.565 1.039 -0.809) 2.045 4.569 ( -4.386 1.917 -0.472) 4.810 4.783 ( 1.075 0.706 0.584) 1.412 4.982 ( -4.869 -1.411 -1.496) 5.286 5.135 ( -3.073 3.541 3.198) 5.675 5.339 ( 1.870 -0.736 -4.137) 4.600 5.346 ( -1.214 3.467 4.398) 5.731 5.541 ( 5.979 2.016 -2.646) 6.842 5.587 ( -0.007 1.017 9.321) 9.376 5.633 ( 1.465 1.532 -9.437) 9.672 5.731 ( 0.778 1.568 7.121) 7.333 5.809 ( 3.404 3.621 4.398) 6.637 5.970 ( 6.045 3.769 -3.006) 7.732 6.340 ( -7.784 7.487 4.688) 11.773 6.389 ( 0.085 -3.187 -2.436) 4.012 6.463 ( 7.596 2.359 9.977) 12.759 6.616 ( -5.554 -5.070 -3.727) 8.393 6.889 ( -1.312 0.582 -9.099) 9.211 7.655 ( -0.819 6.933 2.881) 7.552 7.743 ( -2.529 5.592 -2.017) 6.461 7.877 ( 6.057 -1.632 0.978) 6.348 7.945 ( 4.620 6.075 0.337) 7.640 8.116 ( 0.567 2.717 4.214) 5.046 8.137 ( -1.599 -5.676 0.285) 5.904 8.292 ( -0.608 -1.474 -0.655) 1.724 8.493 ( -5.183 3.268 -1.800) 6.386 8.952 ( 3.129 -5.919 3.627) 7.615 9.115 ( 2.801 -7.571 4.784) 9.384 9.286 ( -9.890 -5.961 -4.680) 12.460 9.706 ( -8.242 -13.413 -14.228) 21.220 9.971 ( -0.363 4.568 3.840) 5.978 10.105 ( 2.237 7.338 -1.971) 7.921 10.558 ( 3.928 -0.923 -0.191) 4.040 10.712 ( -4.523 0.777 3.136) 5.558 10.740 ( -0.432 -5.023 2.174) 5.490 10.867 ( 8.799 -5.679 -2.043) 10.670 11.022 ( -3.365 -2.393 -0.994) 4.247 11.252 ( -10.619 -9.344 -5.170) 15.060 11.731 ( 6.944 8.458 -0.384) 10.950 11.820 ( 0.961 8.251 2.091) 8.566 11.871 ( -1.787 -0.915 8.279) 8.519 12.049 ( -3.153 1.402 -0.307) 3.464 12.205 ( 7.404 2.144 -6.602) 10.149 12.313 ( -2.903 0.197 -0.992) 3.075 12.809 ( 2.784 2.486 -3.723) 5.272 12.868 ( -4.158 9.057 -0.670) 9.989 12.988 ( -1.235 5.206 6.613) 8.507 13.161 ( 0.533 2.449 -9.340) 9.670 13.559 ( 3.899 -5.571 1.898) 7.059 13.623 ( 3.546 -1.107 1.317) 3.941 14.070 ( 0.179 -1.726 3.716) 4.101 14.161 ( -6.391 -1.226 0.344) 6.517 14.522 ( 2.617 -9.610 0.898) 10.001 14.901 ( -14.406 -13.862 -1.404) 20.041 17.066 ( 17.299 13.857 2.809) 22.342 17.467 ( -2.119 17.748 3.587) 18.231 17.869 ( -2.684 -1.264 8.127) 8.652 17.914 ( 2.987 -0.794 -5.222) 6.068 20.867 ( -1.896 1.642 4.948) 5.547 20.986 ( 0.983 1.378 -6.792) 7.000 21.422 ( 0.216 0.277 -1.511) 1.551 21.571 ( -2.107 -0.589 -2.042) 2.993 21.676 ( 1.130 -3.026 -1.136) 3.424 21.979 ( -11.261 -0.576 -10.003) 15.073 22.872 ( 2.928 -1.700 7.648) 8.364 22.957 ( 1.646 -4.312 -0.414) 4.634 23.281 ( 0.593 -4.719 7.657) 9.013 23.408 ( 2.038 -7.021 6.084) 9.511 23.529 ( -0.915 -3.809 -7.252) 8.243 23.648 ( -2.706 -1.995 -4.703) 5.781 23.932 ( 0.609 1.255 2.133) 2.548 23.967 ( -0.505 0.883 1.429) 1.754 24.241 ( 4.224 8.499 10.307) 14.012 24.472 ( 3.814 10.351 -9.755) 14.726 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 2.871 -12.326 0.232) 12.658 1.891 ( -1.681 -10.765 -6.407) 12.640 2.088 ( 7.944 3.076 -4.574) 9.669 2.181 ( 6.942 -12.392 4.445) 14.883 2.195 ( -7.188 0.361 3.983) 8.226 2.391 ( -8.326 -8.151 -7.940) 14.100 2.489 ( 1.185 -1.402 6.085) 6.356 2.509 ( 5.876 -8.026 2.081) 10.162 2.745 ( -3.518 -2.787 7.056) 8.363 2.822 ( 2.169 -8.045 -3.196) 8.924 2.943 ( -2.175 -5.179 -0.959) 5.698 3.020 ( -5.945 -2.800 -5.759) 8.738 3.160 ( 4.246 5.005 5.933) 8.847 3.264 ( -2.027 -0.699 -1.587) 2.667 3.564 ( 1.121 4.814 5.228) 7.195 3.608 ( 6.621 -6.326 -0.920) 9.203 3.678 ( -4.569 5.649 -5.274) 8.978 3.786 ( -9.588 -4.081 -3.927) 11.135 3.848 ( -1.584 1.135 7.356) 7.610 3.901 ( 2.539 -1.326 -7.597) 8.119 4.250 ( 7.045 -3.037 0.197) 7.674 4.329 ( -1.661 -3.190 -2.676) 4.483 4.472 ( 1.826 -1.753 -0.047) 2.532 4.526 ( -3.179 -0.945 0.127) 3.319 4.813 ( 6.488 -0.140 4.410) 7.846 4.981 ( -7.445 -2.191 -1.819) 7.971 5.111 ( 2.064 -0.504 6.653) 6.984 5.245 ( -3.456 0.187 -6.466) 7.334 5.399 ( 2.926 0.759 5.558) 6.327 5.514 ( -0.267 0.419 -3.004) 3.045 5.527 ( 3.949 6.385 -4.105) 8.556 5.601 ( 0.506 3.725 -1.055) 3.905 5.735 ( -2.610 1.190 4.699) 5.506 5.778 ( -1.452 1.315 0.121) 1.963 5.968 ( 11.426 3.634 3.042) 12.370 6.166 ( -8.706 4.143 0.597) 9.660 6.436 ( 4.119 1.044 -1.908) 4.658 6.478 ( 0.694 4.180 3.324) 5.386 6.648 ( -1.980 -2.641 4.584) 5.649 6.787 ( -5.222 0.120 -9.927) 11.217 7.574 ( 0.606 2.962 2.962) 4.232 7.624 ( -1.526 2.735 -2.846) 4.232 7.848 ( 5.002 6.850 0.102) 8.483 7.905 ( -0.977 3.804 0.626) 3.977 8.106 ( 5.160 1.604 3.579) 6.482 8.208 ( -2.703 -3.299 0.050) 4.265 8.320 ( -0.837 -1.425 0.444) 1.712 8.386 ( -4.428 0.301 -2.062) 4.894 9.094 ( 9.040 -3.601 -0.877) 9.770 9.277 ( -11.617 -4.610 0.143) 12.499 9.432 ( 10.812 -9.956 11.451) 18.632 9.748 ( -1.908 -2.793 -13.476) 13.894 9.901 ( -2.322 3.871 1.349) 4.711 9.984 ( -6.849 -0.587 -2.827) 7.433 10.613 ( 5.161 -0.608 -0.713) 5.245 10.677 ( -4.302 -0.617 2.668) 5.100 10.836 ( 0.238 -0.933 4.805) 4.901 10.911 ( -0.319 1.176 -5.005) 5.151 11.165 ( 8.443 -8.405 0.817) 11.941 11.328 ( -8.673 -7.547 -0.599) 11.512 11.620 ( 3.720 7.001 0.749) 7.964 11.674 ( -1.580 5.434 -1.315) 5.810 11.907 ( 2.506 0.838 2.903) 3.926 11.992 ( -4.130 0.181 -2.112) 4.642 12.235 ( 2.742 -2.008 0.345) 3.417 12.305 ( -3.414 -2.402 -1.963) 4.613 12.697 ( 1.353 6.841 0.096) 6.974 12.737 ( -3.146 4.735 0.618) 5.719 12.985 ( 2.484 -1.102 5.998) 6.585 13.089 ( -0.370 -0.857 -8.917) 8.965 13.680 ( 5.784 -1.438 -0.266) 5.966 13.691 ( 3.002 -2.175 1.465) 3.986 14.073 ( -0.818 0.828 0.223) 1.186 14.127 ( -7.375 -0.466 1.593) 7.559 14.764 ( 9.834 -8.605 1.983) 13.217 14.996 ( -14.327 -10.208 -2.032) 17.709 16.935 ( 13.840 14.444 1.193) 20.040 17.125 ( -7.369 14.717 0.490) 16.466 17.899 ( -3.179 -0.227 7.097) 7.779 17.918 ( 2.986 -0.078 -6.366) 7.032 20.867 ( 1.143 0.255 4.255) 4.413 20.942 ( -1.340 -0.116 -4.811) 4.996 21.445 ( 2.828 -0.575 1.662) 3.330 21.536 ( -3.553 0.149 -3.099) 4.717 21.763 ( 1.785 -3.794 2.003) 4.647 21.869 ( -5.997 -0.792 -5.829) 8.400 22.967 ( 3.225 -1.650 5.975) 6.988 23.035 ( 0.182 -3.427 -2.410) 4.193 23.422 ( 3.716 -4.130 6.304) 8.403 23.549 ( -3.304 -3.829 -5.116) 7.193 23.565 ( 1.754 -4.501 3.924) 6.224 23.644 ( -2.537 -2.393 -3.747) 5.119 23.923 ( 0.476 1.230 1.343) 1.882 23.944 ( -0.880 1.419 -0.203) 1.682 24.147 ( 3.068 8.573 5.031) 10.402 24.243 ( -0.830 9.871 -6.256) 11.716 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -4.239 3.124 -0.296) 5.274 1.941 ( 4.239 3.124 0.296) 5.274 2.085 ( 7.878 0.561 -16.174) 18.000 2.085 ( -7.878 0.561 16.174) 18.000 2.479 ( -3.136 -6.162 -7.756) 10.391 2.479 ( 3.136 -6.162 7.756) 10.391 2.526 ( -7.331 0.247 -2.068) 7.621 2.526 ( 7.331 0.247 2.068) 7.621 2.907 ( -6.600 -1.863 -10.966) 12.934 2.907 ( 6.600 -1.863 10.966) 12.934 3.002 ( -3.196 -3.987 -3.219) 6.039 3.002 ( 3.196 -3.987 3.219) 6.039 3.233 ( -3.812 -3.065 -1.600) 5.146 3.233 ( 3.812 -3.065 1.600) 5.146 3.505 ( -6.016 5.588 -5.680) 9.984 3.505 ( 6.016 5.588 5.680) 9.984 3.759 ( -8.402 -1.073 -1.969) 8.696 3.759 ( 8.402 -1.073 1.969) 8.696 3.831 ( -0.212 3.436 -8.064) 8.768 3.831 ( 0.212 3.436 8.064) 8.768 4.309 ( 5.687 1.356 -4.021) 7.096 4.309 ( -5.687 1.356 4.021) 7.096 4.542 ( 2.770 -2.995 -6.613) 7.770 4.542 ( -2.770 -2.995 6.613) 7.770 4.901 ( -6.849 1.841 -6.375) 9.536 4.901 ( 6.849 1.841 6.375) 9.536 5.221 ( -2.843 -2.859 -6.401) 7.565 5.221 ( 2.843 -2.859 6.401) 7.565 5.420 ( -2.376 0.969 -5.439) 6.013 5.420 ( 2.376 0.969 5.439) 6.013 5.507 ( 1.034 2.130 -6.062) 6.508 5.507 ( -1.034 2.130 6.062) 6.508 5.741 ( -2.577 0.137 -3.077) 4.016 5.741 ( 2.577 0.137 3.077) 4.016 6.026 ( -4.282 2.692 -8.270) 9.694 6.026 ( 4.282 2.692 8.270) 9.694 6.395 ( 2.817 3.148 -5.381) 6.840 6.395 ( -2.817 3.148 5.381) 6.840 6.730 ( -1.708 -2.156 -7.900) 8.365 6.730 ( 1.708 -2.156 7.900) 8.365 7.591 ( -1.597 -1.606 -3.291) 3.995 7.591 ( 1.597 -1.606 3.291) 3.995 7.799 ( -3.236 2.811 -2.307) 4.868 7.799 ( 3.236 2.811 2.307) 4.868 8.162 ( -7.279 0.589 -1.823) 7.527 8.162 ( 7.279 0.589 1.823) 7.527 8.384 ( -3.681 -2.787 -3.018) 5.515 8.384 ( 3.681 -2.787 3.018) 5.515 9.255 ( -12.365 -4.348 0.382) 13.113 9.255 ( 12.365 -4.348 -0.382) 13.113 9.613 ( -7.806 5.394 -9.188) 13.208 9.613 ( 7.806 5.394 9.188) 13.208 9.961 ( -2.202 -5.478 -12.981) 14.261 9.961 ( 2.202 -5.478 12.981) 14.261 10.651 ( -3.994 1.327 -1.850) 4.597 10.651 ( 3.994 1.327 1.850) 4.597 10.856 ( -1.962 0.400 -3.934) 4.415 10.856 ( 1.962 0.400 3.934) 4.415 11.303 ( -1.958 2.854 -6.059) 6.978 11.303 ( 1.958 2.854 6.059) 6.978 11.627 ( -1.585 -3.407 -5.470) 6.637 11.627 ( 1.585 -3.407 5.470) 6.637 11.943 ( -5.860 -0.338 -1.197) 5.991 11.943 ( 5.860 -0.338 1.197) 5.991 12.312 ( -0.520 -2.478 -4.900) 5.515 12.312 ( 0.520 -2.478 4.900) 5.515 12.635 ( -2.207 1.932 -2.742) 4.015 12.635 ( 2.207 1.932 2.742) 4.015 13.108 ( 0.699 -5.930 -8.756) 10.598 13.108 ( -0.699 -5.930 8.756) 10.598 13.720 ( 2.066 0.573 -2.003) 2.934 13.720 ( -2.066 0.573 2.003) 2.934 14.062 ( -1.760 1.928 -1.128) 2.844 14.062 ( 1.760 1.928 1.128) 2.844 15.011 ( -9.591 -5.449 -5.466) 12.311 15.011 ( 9.591 -5.449 5.466) 12.311 16.816 ( 1.318 9.386 -10.587) 14.210 16.816 ( -1.318 9.386 10.587) 14.210 17.897 ( 4.006 1.393 -7.168) 8.329 17.897 ( -4.006 1.393 7.168) 8.329 20.919 ( 2.015 -1.545 -7.608) 8.020 20.919 ( -2.015 -1.545 7.608) 8.020 21.482 ( -2.938 0.744 -2.291) 3.799 21.482 ( 2.938 0.744 2.291) 3.799 21.860 ( -1.929 -3.856 -4.500) 6.232 21.860 ( 1.929 -3.856 4.500) 6.232 23.040 ( 0.643 0.099 -8.355) 8.380 23.040 ( -0.643 0.099 8.355) 8.380 23.541 ( -2.184 -0.727 -4.463) 5.021 23.541 ( 2.184 -0.727 4.463) 5.021 23.662 ( -0.903 -3.420 -2.425) 4.289 23.662 ( 0.903 -3.420 2.425) 4.289 23.899 ( 1.121 2.454 -1.795) 3.240 23.899 ( -1.121 2.454 1.795) 3.240 24.057 ( -2.902 4.981 -2.396) 6.243 24.057 ( 2.902 4.981 2.396) 6.243 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 8.172 -0.000 6.254) 10.290 1.191 ( -5.741 0.000 -6.128) 8.397 1.334 ( 20.928 -0.000 -0.091) 20.928 1.913 ( -4.039 0.000 -2.215) 4.606 1.996 ( -0.661 0.000 -10.383) 10.404 2.173 ( 2.933 -0.000 -4.634) 5.484 2.297 ( -10.145 0.000 -2.867) 10.542 2.343 ( 6.609 -0.000 -1.510) 6.779 2.613 ( 1.949 -0.000 10.738) 10.913 2.665 ( 4.017 -0.000 -5.144) 6.527 2.852 ( -11.194 0.000 1.087) 11.246 2.881 ( 5.683 -0.000 -4.143) 7.033 3.259 ( -0.447 0.000 6.316) 6.332 3.309 ( 2.106 -0.000 2.176) 3.028 3.357 ( -3.445 0.000 -3.762) 5.101 3.496 ( 6.114 -0.000 -4.995) 7.895 3.546 ( -5.074 0.000 -2.462) 5.639 3.784 ( -4.805 0.000 -5.842) 7.564 3.965 ( 2.302 -0.000 1.005) 2.512 3.971 ( -2.024 0.000 3.072) 3.679 4.001 ( 7.209 -0.000 8.514) 11.156 4.294 ( -6.751 0.000 8.329) 10.721 4.425 ( 1.981 -0.000 -4.451) 4.872 4.617 ( -9.120 0.000 -1.979) 9.332 4.796 ( 0.893 -0.000 -2.380) 2.542 4.999 ( -6.462 0.000 -0.667) 6.496 5.238 ( -0.630 0.000 6.401) 6.432 5.339 ( 7.460 -0.000 -8.268) 11.136 5.495 ( 0.045 -0.000 6.785) 6.786 5.502 ( 1.927 -0.000 3.578) 4.064 5.564 ( -3.436 0.000 -4.266) 5.477 5.650 ( 0.739 -0.000 -5.387) 5.437 5.847 ( 5.315 -0.000 8.504) 10.028 5.981 ( 4.495 -0.000 0.469) 4.519 6.044 ( 7.089 -0.000 -3.266) 7.805 6.264 ( -7.905 0.000 5.074) 9.393 6.392 ( 1.536 -0.000 -10.146) 10.261 6.524 ( -5.136 0.000 5.601) 7.599 6.559 ( 4.547 -0.000 11.665) 12.520 6.873 ( 7.111 -0.000 -10.461) 12.649 7.830 ( 4.837 -0.000 2.951) 5.666 7.850 ( 3.131 -0.000 1.737) 3.580 7.886 ( -4.693 0.000 1.857) 5.047 7.941 ( -1.348 0.000 -5.994) 6.143 8.014 ( 0.292 -0.000 -1.652) 1.678 8.074 ( 2.743 -0.000 2.999) 4.064 8.287 ( 2.166 -0.000 3.330) 3.973 8.531 ( -1.992 0.000 -1.403) 2.437 8.920 ( -11.452 0.000 12.467) 16.929 8.947 ( -3.345 0.000 -4.236) 5.398 9.152 ( -9.195 0.000 -5.381) 10.654 9.294 ( -6.421 0.000 -19.559) 20.586 10.125 ( 5.612 -0.000 3.078) 6.401 10.278 ( 2.659 -0.000 -0.738) 2.760 10.558 ( 1.084 -0.000 2.316) 2.557 10.663 ( 2.453 -0.000 1.510) 2.881 10.686 ( -0.326 0.000 0.419) 0.531 10.696 ( 0.742 -0.000 -1.412) 1.595 10.977 ( -6.712 0.000 2.642) 7.213 11.027 ( -6.516 0.000 -15.718) 17.015 11.855 ( -0.852 0.000 12.954) 12.982 11.913 ( 1.671 -0.000 2.021) 2.622 11.993 ( 0.550 -0.000 4.818) 4.849 12.071 ( 7.241 -0.000 -0.448) 7.255 12.347 ( -2.494 0.000 -1.363) 2.842 12.473 ( 4.431 -0.000 -14.569) 15.227 12.872 ( 5.928 -0.000 -8.634) 10.473 12.881 ( -1.010 0.000 4.983) 5.085 13.175 ( -4.142 0.000 10.944) 11.701 13.311 ( -0.848 0.000 -7.753) 7.800 13.433 ( 3.879 -0.000 -0.774) 3.955 13.624 ( -3.007 0.000 3.954) 4.967 13.940 ( 9.104 -0.000 2.224) 9.371 14.149 ( -2.939 0.000 -0.848) 3.058 14.369 ( -7.516 0.000 -0.470) 7.530 14.438 ( -12.224 0.000 -0.914) 12.258 17.379 ( 21.093 -0.000 2.398) 21.229 17.798 ( -2.672 0.000 7.766) 8.213 17.865 ( 6.448 -0.000 -6.881) 9.430 17.977 ( -9.784 0.000 13.807) 16.922 20.892 ( -3.040 0.000 8.354) 8.890 21.052 ( 1.267 -0.000 -9.182) 9.269 21.443 ( -1.532 0.000 -4.812) 5.050 21.528 ( -4.182 0.000 -4.046) 5.819 21.735 ( -3.203 0.000 2.772) 4.236 21.811 ( -5.713 0.000 -16.906) 17.845 22.838 ( 1.294 -0.000 2.900) 3.176 22.873 ( 2.014 -0.000 1.147) 2.318 23.168 ( -1.609 0.000 11.750) 11.860 23.237 ( 3.681 -0.000 6.847) 7.774 23.443 ( 1.416 -0.000 -8.824) 8.937 23.601 ( -3.425 0.000 -5.616) 6.579 23.962 ( 0.773 -0.000 2.005) 2.149 23.987 ( -0.325 0.000 1.875) 1.903 24.464 ( 1.653 -0.000 21.174) 21.238 24.697 ( 7.887 -0.000 -14.538) 16.539 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 5.322 -19.121 8.135) 21.450 1.289 ( -4.315 -16.804 -11.343) 20.728 1.624 ( 18.848 -8.711 6.092) 21.639 1.966 ( -6.777 -6.981 -8.204) 12.727 2.027 ( -3.581 -10.451 1.564) 11.157 2.126 ( -6.901 -9.720 -8.409) 14.588 2.321 ( 4.651 0.626 4.638) 6.598 2.375 ( 3.302 0.152 -2.873) 4.380 2.652 ( 3.045 0.526 -4.117) 5.148 2.708 ( -6.791 2.134 2.624) 7.586 2.752 ( 3.290 -3.505 8.811) 10.037 2.941 ( -5.431 -2.017 -6.599) 8.781 3.242 ( 1.227 -2.082 4.439) 5.054 3.299 ( -0.053 0.778 -0.801) 1.118 3.440 ( -0.579 -4.618 1.102) 4.783 3.473 ( -0.650 1.789 -1.487) 2.415 3.616 ( 7.202 -6.383 -2.731) 10.003 3.757 ( -6.443 -5.288 -3.891) 9.199 3.918 ( -0.876 3.735 3.410) 5.133 3.952 ( -0.422 3.984 -3.215) 5.137 4.118 ( 9.196 -0.723 5.625) 10.804 4.263 ( -3.613 0.784 4.771) 6.036 4.441 ( 0.498 -1.324 -2.391) 2.779 4.513 ( -8.378 0.938 -3.708) 9.210 4.804 ( 3.309 -0.065 1.635) 3.691 4.922 ( -6.098 0.622 -3.452) 7.035 5.229 ( 0.692 3.803 6.209) 7.314 5.315 ( 0.486 1.457 -8.067) 8.212 5.456 ( 1.955 3.810 4.348) 6.103 5.550 ( -3.048 0.088 -4.582) 5.504 5.583 ( 0.235 -2.855 7.624) 8.145 5.630 ( 1.679 -0.005 -5.084) 5.354 5.882 ( 5.589 5.121 5.818) 9.556 5.953 ( 2.288 6.357 1.046) 6.837 6.084 ( 10.679 0.657 1.518) 10.807 6.288 ( -4.328 -4.554 -1.670) 6.500 6.396 ( -9.922 3.435 3.113) 10.952 6.420 ( -3.053 -5.503 -6.066) 8.741 6.663 ( 7.009 3.941 13.166) 15.427 6.852 ( 0.838 1.359 -11.510) 11.620 7.784 ( -0.452 5.645 0.708) 5.707 7.817 ( -1.866 4.919 -0.927) 5.342 7.891 ( 4.924 -2.293 2.240) 5.875 7.981 ( -3.478 -5.302 -1.750) 6.578 8.062 ( 5.266 -1.323 -0.419) 5.446 8.127 ( -1.656 -2.221 1.226) 3.030 8.324 ( 4.701 1.314 4.426) 6.589 8.476 ( -5.564 1.523 -4.025) 7.034 8.919 ( 1.760 -3.149 8.064) 8.834 8.999 ( 0.917 -6.507 -0.632) 6.601 9.105 ( -9.798 -4.253 4.636) 11.644 9.256 ( -7.055 -11.419 -19.600) 23.756 10.137 ( 4.584 5.281 4.108) 8.111 10.227 ( -0.377 5.259 -3.069) 6.101 10.573 ( 1.856 0.066 1.610) 2.458 10.640 ( -4.184 -0.539 -2.075) 4.702 10.736 ( 2.596 -3.088 7.641) 8.640 10.820 ( 8.732 -6.713 -2.580) 11.312 10.922 ( -4.085 -1.060 -8.484) 9.476 10.985 ( -9.356 -6.002 -0.493) 11.127 11.899 ( -1.558 1.238 6.944) 7.223 11.902 ( 2.031 3.024 1.139) 3.816 11.987 ( 3.132 4.822 5.577) 8.010 12.079 ( 0.695 2.988 -3.581) 4.715 12.301 ( 0.842 3.916 -0.658) 4.059 12.335 ( 1.794 6.033 -6.188) 8.827 12.858 ( 4.346 1.697 -4.569) 6.530 12.911 ( -4.898 0.359 -0.098) 4.912 13.127 ( -2.028 5.967 10.054) 11.866 13.209 ( 0.617 5.893 -9.318) 11.042 13.509 ( 5.629 -3.901 2.458) 7.276 13.605 ( -2.881 -1.390 0.666) 3.267 14.062 ( 2.567 -1.976 2.644) 4.182 14.114 ( -2.546 0.936 -0.929) 2.867 14.368 ( 2.807 -8.850 0.785) 9.318 14.518 ( -11.391 -13.318 -1.635) 17.601 17.466 ( 19.262 10.089 1.017) 21.769 17.722 ( -10.832 10.694 4.598) 15.901 17.876 ( 0.912 0.154 1.450) 1.720 17.900 ( -2.069 0.573 0.423) 2.188 20.909 ( -2.625 0.896 9.311) 9.715 20.985 ( 1.579 1.909 -10.783) 11.064 21.419 ( 0.692 -0.224 -0.987) 1.226 21.484 ( -4.401 -1.825 -4.354) 6.454 21.691 ( 3.177 0.397 1.698) 3.624 21.804 ( -5.989 -3.917 -6.610) 9.741 22.879 ( 0.623 -1.840 4.055) 4.496 22.905 ( 1.340 -2.173 -1.824) 3.138 23.252 ( -0.054 -3.404 10.065) 10.625 23.328 ( 0.394 -4.576 0.302) 4.603 23.452 ( 3.485 -2.144 -2.454) 4.771 23.556 ( -3.771 -1.726 -5.502) 6.890 23.968 ( 0.718 0.868 1.343) 1.753 23.984 ( -0.548 0.663 0.614) 1.057 24.494 ( -0.652 7.387 16.934) 18.486 24.610 ( 4.888 6.839 -14.450) 16.718 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -3.117 -19.030 -7.895) 20.837 1.550 ( 3.117 -19.030 7.895) 20.837 1.995 ( -8.975 -12.402 -9.009) 17.763 1.995 ( 8.975 -12.402 9.009) 17.763 2.228 ( 2.568 -1.761 -5.986) 6.747 2.228 ( -2.568 -1.761 5.986) 6.747 2.394 ( 1.592 -7.165 -0.884) 7.393 2.394 ( -1.592 -7.165 0.884) 7.393 2.685 ( 3.406 -2.939 -5.257) 6.919 2.685 ( -3.406 -2.939 5.257) 6.919 2.886 ( -2.760 -3.075 -7.174) 8.279 2.886 ( 2.760 -3.075 7.174) 8.279 3.282 ( -1.568 2.411 -1.569) 3.276 3.282 ( 1.568 2.411 1.569) 3.276 3.520 ( -3.966 -6.999 -0.814) 8.086 3.520 ( 3.966 -6.999 0.814) 8.086 3.744 ( -1.511 2.564 -6.600) 7.240 3.744 ( 1.511 2.564 6.600) 7.240 3.869 ( 4.756 0.348 -7.474) 8.865 3.869 ( -4.756 0.348 7.474) 8.865 4.240 ( -5.472 -2.667 -2.442) 6.560 4.240 ( 5.472 -2.667 2.442) 6.560 4.464 ( -1.253 -1.387 -1.097) 2.167 4.464 ( 1.253 -1.387 1.097) 2.167 4.864 ( -5.304 -1.278 -2.883) 6.170 4.864 ( 5.304 -1.278 2.883) 6.170 5.208 ( -2.356 3.350 -7.598) 8.631 5.208 ( 2.356 3.350 7.598) 8.631 5.469 ( -2.525 1.023 -6.847) 7.369 5.469 ( 2.525 1.023 6.847) 7.369 5.633 ( 5.599 0.353 -7.216) 9.141 5.633 ( -5.599 0.353 7.216) 9.141 5.828 ( -2.283 5.838 -2.582) 6.779 5.828 ( 2.283 5.838 2.582) 6.779 6.160 ( -12.238 4.388 -2.522) 13.244 6.160 ( 12.238 4.388 2.522) 13.244 6.452 ( -3.446 -4.217 -5.784) 7.944 6.452 ( 3.446 -4.217 5.784) 7.944 6.711 ( -5.611 3.047 -12.134) 13.711 6.711 ( 5.611 3.047 12.134) 13.711 7.685 ( 0.545 6.007 -4.074) 7.278 7.685 ( -0.545 6.007 4.074) 7.278 7.976 ( -1.328 1.991 -2.075) 3.168 7.976 ( 1.328 1.991 2.075) 3.168 8.127 ( -0.466 -2.111 -0.399) 2.198 8.127 ( 0.466 -2.111 0.399) 2.198 8.358 ( -6.060 2.322 -3.408) 7.330 8.358 ( 6.060 2.322 3.408) 7.330 9.087 ( -7.758 -5.545 -3.212) 10.062 9.087 ( 7.758 -5.545 3.212) 10.062 9.349 ( -5.169 -15.130 -19.875) 25.508 9.349 ( 5.169 -15.130 19.875) 25.508 10.060 ( -2.364 8.129 -4.936) 9.799 10.060 ( 2.364 8.129 4.936) 9.799 10.621 ( -3.592 -1.693 -0.802) 4.051 10.621 ( 3.592 -1.693 0.802) 4.051 10.867 ( -2.932 -1.478 -9.110) 9.684 10.867 ( 2.932 -1.478 9.110) 9.684 11.052 ( -8.246 -10.202 -0.227) 13.120 11.052 ( 8.246 -10.202 0.227) 13.120 11.811 ( 2.064 8.614 -1.180) 8.936 11.811 ( -2.064 8.614 1.180) 8.936 11.972 ( -0.837 2.381 -7.539) 7.950 11.972 ( 0.837 2.381 7.539) 7.950 12.256 ( 5.863 1.176 -5.261) 7.965 12.256 ( -5.863 1.176 5.261) 7.965 12.817 ( 2.124 4.826 -1.829) 5.581 12.817 ( -2.124 4.826 1.829) 5.581 13.064 ( 0.745 4.000 -9.786) 10.598 13.064 ( -0.745 4.000 9.786) 10.598 13.644 ( -1.923 -4.355 -1.093) 4.885 13.644 ( 1.923 -4.355 1.093) 4.885 14.087 ( 0.187 0.010 -2.211) 2.219 14.087 ( -0.187 0.010 2.211) 2.219 14.662 ( -7.234 -12.556 -4.469) 15.165 14.662 ( 7.234 -12.556 4.469) 15.165 17.349 ( -5.714 16.580 -4.571) 18.123 17.349 ( 5.714 16.580 4.571) 18.123 17.899 ( 3.532 -0.793 -7.589) 8.408 17.899 ( -3.532 -0.793 7.589) 8.408 20.916 ( 2.746 1.252 -9.795) 10.250 20.916 ( -2.746 1.252 9.795) 10.250 21.465 ( -3.637 -1.649 -3.090) 5.049 21.465 ( 3.637 -1.649 3.090) 5.049 21.767 ( -4.338 -1.654 -5.821) 7.446 21.767 ( 4.338 -1.654 5.821) 7.446 22.953 ( 1.134 -3.386 -4.912) 6.073 22.953 ( -1.134 -3.386 4.912) 6.073 23.393 ( -2.596 -5.423 -6.570) 8.906 23.393 ( 2.596 -5.423 6.570) 8.906 23.545 ( -3.583 -3.096 -4.138) 6.288 23.545 ( 3.583 -3.096 4.138) 6.288 23.959 ( -0.602 1.272 -0.827) 1.632 23.959 ( 0.602 1.272 0.827) 1.632 24.391 ( 0.715 10.512 -11.787) 15.810 24.391 ( -0.715 10.512 11.787) 15.810 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.819 0.000 -9.418) 11.628 1.009 ( 6.819 -0.000 9.418) 11.628 1.773 ( -19.794 0.000 -8.472) 21.531 1.773 ( 19.794 -0.000 8.472) 21.531 1.894 ( 1.930 -0.000 -2.331) 3.026 1.894 ( -1.930 0.000 2.331) 3.026 2.369 ( -2.291 0.000 -1.237) 2.604 2.369 ( 2.291 -0.000 1.237) 2.604 2.714 ( -5.947 0.000 1.492) 6.131 2.714 ( 5.947 -0.000 -1.492) 6.131 2.803 ( -4.953 0.000 -10.545) 11.650 2.803 ( 4.953 -0.000 10.545) 11.650 3.254 ( -2.107 0.000 -3.495) 4.081 3.254 ( 2.107 -0.000 3.495) 4.081 3.481 ( -1.530 0.000 -7.680) 7.831 3.481 ( 1.530 -0.000 7.680) 7.831 3.588 ( -7.532 0.000 -5.445) 9.294 3.588 ( 7.532 -0.000 5.445) 9.294 3.973 ( 1.908 -0.000 -3.618) 4.090 3.973 ( -1.908 0.000 3.618) 4.090 4.222 ( -11.003 0.000 1.700) 11.134 4.222 ( 11.003 -0.000 -1.700) 11.134 4.453 ( -5.517 0.000 -0.566) 5.546 4.453 ( 5.517 -0.000 0.566) 5.546 4.856 ( -5.316 0.000 -3.792) 6.530 4.856 ( 5.316 -0.000 3.792) 6.530 5.304 ( 1.398 -0.000 -7.820) 7.944 5.304 ( -1.398 0.000 7.820) 7.944 5.518 ( 1.210 -0.000 -1.044) 1.598 5.518 ( -1.210 0.000 1.044) 1.598 5.599 ( -1.338 0.000 -5.717) 5.872 5.599 ( 1.338 -0.000 5.717) 5.872 6.022 ( -3.382 0.000 -4.819) 5.888 6.022 ( 3.382 -0.000 4.819) 5.888 6.157 ( -8.657 0.000 -0.143) 8.659 6.157 ( 8.657 -0.000 0.143) 8.659 6.366 ( 9.341 -0.000 -6.188) 11.204 6.366 ( -9.341 0.000 6.188) 11.204 6.811 ( -0.781 0.000 -13.433) 13.455 6.811 ( 0.781 -0.000 13.433) 13.455 7.845 ( 1.514 -0.000 -4.467) 4.716 7.845 ( -1.514 0.000 4.467) 4.716 7.901 ( 1.456 -0.000 -1.740) 2.269 7.901 ( -1.456 0.000 1.740) 2.269 8.069 ( -5.524 0.000 1.816) 5.814 8.069 ( 5.524 -0.000 -1.816) 5.814 8.417 ( -5.640 0.000 -6.201) 8.382 8.417 ( 5.640 -0.000 6.201) 8.382 8.926 ( 1.608 -0.000 -4.071) 4.378 8.926 ( -1.608 0.000 4.071) 4.378 9.048 ( 5.391 -0.000 -18.495) 19.265 9.048 ( -5.391 0.000 18.495) 19.265 10.244 ( -3.643 0.000 -2.943) 4.684 10.244 ( 3.643 -0.000 2.943) 4.684 10.608 ( -2.672 0.000 -1.136) 2.904 10.608 ( 2.672 -0.000 1.136) 2.904 10.746 ( -0.275 0.000 -6.732) 6.738 10.746 ( 0.275 -0.000 6.732) 6.738 10.883 ( 4.768 -0.000 -2.789) 5.524 10.883 ( -4.768 0.000 2.789) 5.524 11.928 ( 2.149 -0.000 -5.401) 5.813 11.928 ( -2.149 0.000 5.401) 5.813 12.084 ( 0.479 -0.000 -9.243) 9.256 12.084 ( -0.479 0.000 9.243) 9.256 12.377 ( 1.796 -0.000 -12.345) 12.474 12.377 ( -1.796 0.000 12.345) 12.474 12.882 ( 5.131 -0.000 -6.801) 8.520 12.882 ( -5.131 0.000 6.801) 8.520 13.228 ( 1.127 -0.000 -8.100) 8.178 13.228 ( -1.127 0.000 8.100) 8.178 13.547 ( -7.536 0.000 -0.098) 7.536 13.547 ( 7.536 -0.000 0.098) 7.536 14.100 ( -5.527 0.000 -0.558) 5.555 14.100 ( 5.527 -0.000 0.558) 5.555 14.290 ( -0.170 0.000 -2.035) 2.042 14.290 ( 0.170 -0.000 2.035) 2.042 17.723 ( -16.842 0.000 2.579) 17.039 17.723 ( 16.842 -0.000 -2.579) 17.039 17.892 ( 7.027 -0.000 -7.396) 10.202 17.892 ( -7.027 0.000 7.396) 10.202 20.956 ( 1.951 -0.000 -11.830) 11.990 20.956 ( -1.951 0.000 11.830) 11.990 21.424 ( -2.063 0.000 -1.032) 2.307 21.424 ( 2.063 -0.000 1.032) 2.307 21.717 ( 2.994 -0.000 -4.794) 5.653 21.717 ( -2.994 0.000 4.794) 5.653 22.878 ( -0.338 0.000 -1.744) 1.777 22.878 ( 0.338 -0.000 1.744) 1.777 23.265 ( 0.561 -0.000 -8.161) 8.180 23.265 ( -0.561 0.000 8.161) 8.180 23.475 ( -4.518 0.000 -4.275) 6.220 23.475 ( 4.518 -0.000 4.275) 6.220 23.987 ( -0.602 0.000 -0.308) 0.676 23.987 ( 0.602 -0.000 0.308) 0.676 24.636 ( 4.993 -0.000 -17.931) 18.613 24.636 ( -4.993 0.000 17.931) 18.613 =================== 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 3/36864 10.0 540.021 267.839 348.754 -0.000 -5.162 -0.000 3/36864 20.0 93.524 77.460 74.292 -0.000 1.260 -0.000 3/36864 30.0 40.547 38.671 34.798 -0.000 1.348 -0.000 3/36864 40.0 23.865 23.937 21.386 -0.000 1.061 -0.000 3/36864 50.0 16.364 16.743 15.042 -0.000 0.834 -0.000 3/36864 60.0 12.286 12.664 11.471 -0.000 0.674 -0.000 3/36864 70.0 9.781 10.100 9.225 -0.000 0.558 -0.000 3/36864 80.0 8.105 8.364 7.697 -0.000 0.472 -0.000 3/36864 90.0 6.914 7.122 6.598 -0.000 0.406 -0.000 3/36864 100.0 6.028 6.194 5.772 -0.000 0.355 -0.000 3/36864 110.0 5.346 5.478 5.131 -0.000 0.314 -0.000 3/36864 120.0 4.806 4.911 4.620 -0.000 0.281 -0.000 3/36864 130.0 4.368 4.451 4.204 -0.000 0.253 -0.000 3/36864 140.0 4.006 4.071 3.859 -0.000 0.231 -0.000 3/36864 150.0 3.703 3.752 3.568 -0.000 0.211 -0.000 3/36864 160.0 3.444 3.481 3.319 -0.000 0.195 -0.000 3/36864 170.0 3.222 3.248 3.104 -0.000 0.181 -0.000 3/36864 180.0 3.028 3.045 2.917 -0.000 0.169 -0.000 3/36864 190.0 2.858 2.866 2.752 -0.000 0.158 -0.000 3/36864 200.0 2.707 2.709 2.606 -0.000 0.149 -0.000 3/36864 210.0 2.572 2.568 2.475 -0.000 0.140 -0.000 3/36864 220.0 2.451 2.442 2.357 -0.000 0.133 -0.000 3/36864 230.0 2.342 2.329 2.251 -0.000 0.127 -0.000 3/36864 240.0 2.242 2.225 2.154 -0.000 0.121 -0.000 3/36864 250.0 2.151 2.131 2.066 -0.000 0.116 -0.000 3/36864 260.0 2.068 2.045 1.985 -0.000 0.111 -0.000 3/36864 270.0 1.991 1.966 1.910 -0.000 0.106 -0.000 3/36864 280.0 1.920 1.893 1.841 -0.000 0.103 -0.000 3/36864 290.0 1.854 1.825 1.777 -0.000 0.099 -0.000 3/36864 300.0 1.793 1.763 1.717 -0.000 0.096 -0.000 3/36864 310.0 1.735 1.704 1.662 -0.000 0.092 -0.000 3/36864 320.0 1.682 1.650 1.610 -0.000 0.090 -0.000 3/36864 330.0 1.632 1.598 1.561 -0.000 0.087 -0.000 3/36864 340.0 1.584 1.551 1.516 -0.000 0.084 -0.000 3/36864 350.0 1.540 1.505 1.473 -0.000 0.082 -0.000 3/36864 360.0 1.498 1.463 1.432 -0.000 0.080 -0.000 3/36864 370.0 1.458 1.423 1.394 -0.000 0.078 -0.000 3/36864 380.0 1.420 1.385 1.357 -0.000 0.076 -0.000 3/36864 390.0 1.385 1.349 1.323 -0.000 0.074 -0.000 3/36864 400.0 1.351 1.315 1.290 -0.000 0.072 -0.000 3/36864 410.0 1.319 1.283 1.259 -0.000 0.070 -0.000 3/36864 420.0 1.288 1.252 1.230 -0.000 0.069 -0.000 3/36864 430.0 1.259 1.223 1.201 -0.000 0.067 -0.000 3/36864 440.0 1.231 1.195 1.174 -0.000 0.066 -0.000 3/36864 450.0 1.204 1.168 1.149 -0.000 0.064 -0.000 3/36864 460.0 1.178 1.143 1.124 -0.000 0.063 -0.000 3/36864 470.0 1.154 1.118 1.100 -0.000 0.062 -0.000 3/36864 480.0 1.130 1.095 1.078 -0.000 0.061 -0.000 3/36864 490.0 1.108 1.073 1.056 -0.000 0.060 -0.000 3/36864 500.0 1.086 1.051 1.035 -0.000 0.058 -0.000 3/36864 510.0 1.065 1.030 1.015 -0.000 0.057 -0.000 3/36864 520.0 1.045 1.011 0.996 -0.000 0.056 -0.000 3/36864 530.0 1.026 0.992 0.977 -0.000 0.055 -0.000 3/36864 540.0 1.007 0.973 0.960 -0.000 0.054 -0.000 3/36864 550.0 0.989 0.956 0.942 -0.000 0.053 -0.000 3/36864 560.0 0.972 0.938 0.926 -0.000 0.052 -0.000 3/36864 570.0 0.955 0.922 0.910 -0.000 0.052 -0.000 3/36864 580.0 0.939 0.906 0.894 -0.000 0.051 -0.000 3/36864 590.0 0.923 0.891 0.879 -0.000 0.050 -0.000 3/36864 600.0 0.908 0.876 0.865 -0.000 0.049 -0.000 3/36864 610.0 0.894 0.862 0.851 -0.000 0.048 -0.000 3/36864 620.0 0.879 0.848 0.837 -0.000 0.048 -0.000 3/36864 630.0 0.866 0.834 0.824 -0.000 0.047 -0.000 3/36864 640.0 0.852 0.821 0.812 -0.000 0.046 -0.000 3/36864 650.0 0.840 0.809 0.799 -0.000 0.046 -0.000 3/36864 660.0 0.827 0.796 0.787 -0.000 0.045 -0.000 3/36864 670.0 0.815 0.785 0.776 -0.000 0.044 -0.000 3/36864 680.0 0.803 0.773 0.764 -0.000 0.044 -0.000 3/36864 690.0 0.792 0.762 0.753 -0.000 0.043 -0.000 3/36864 700.0 0.780 0.751 0.743 -0.000 0.042 -0.000 3/36864 710.0 0.770 0.741 0.732 -0.000 0.042 -0.000 3/36864 720.0 0.759 0.730 0.722 -0.000 0.041 -0.000 3/36864 730.0 0.749 0.720 0.713 -0.000 0.041 -0.000 3/36864 740.0 0.739 0.711 0.703 -0.000 0.040 -0.000 3/36864 750.0 0.729 0.701 0.694 -0.000 0.040 -0.000 3/36864 760.0 0.720 0.692 0.685 -0.000 0.039 -0.000 3/36864 770.0 0.711 0.683 0.676 -0.000 0.039 -0.000 3/36864 780.0 0.702 0.674 0.667 -0.000 0.038 -0.000 3/36864 790.0 0.693 0.666 0.659 -0.000 0.038 -0.000 3/36864 800.0 0.684 0.657 0.651 -0.000 0.037 -0.000 3/36864 810.0 0.676 0.649 0.643 -0.000 0.037 -0.000 3/36864 820.0 0.668 0.641 0.635 -0.000 0.037 -0.000 3/36864 830.0 0.660 0.634 0.628 -0.000 0.036 -0.000 3/36864 840.0 0.652 0.626 0.620 -0.000 0.036 -0.000 3/36864 850.0 0.644 0.619 0.613 -0.000 0.035 -0.000 3/36864 860.0 0.637 0.612 0.606 -0.000 0.035 -0.000 3/36864 870.0 0.630 0.605 0.599 -0.000 0.035 -0.000 3/36864 880.0 0.623 0.598 0.592 -0.000 0.034 -0.000 3/36864 890.0 0.616 0.591 0.586 -0.000 0.034 -0.000 3/36864 900.0 0.609 0.585 0.579 -0.000 0.033 -0.000 3/36864 910.0 0.602 0.578 0.573 -0.000 0.033 -0.000 3/36864 920.0 0.596 0.572 0.567 -0.000 0.033 -0.000 3/36864 930.0 0.590 0.566 0.561 -0.000 0.032 -0.000 3/36864 940.0 0.583 0.560 0.555 -0.000 0.032 -0.000 3/36864 950.0 0.577 0.554 0.549 -0.000 0.032 -0.000 3/36864 960.0 0.571 0.548 0.543 -0.000 0.031 -0.000 3/36864 970.0 0.566 0.542 0.538 -0.000 0.031 -0.000 3/36864 980.0 0.560 0.537 0.532 -0.000 0.031 -0.000 3/36864 990.0 0.554 0.532 0.527 -0.000 0.030 -0.000 3/36864 1000.0 0.549 0.526 0.522 -0.000 0.030 -0.000 3/36864 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:16:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|