----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:34:49]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.434707540231349 -2.939133824999999 0.000000000000000 b 6.434707540231349 2.939133824999999 0.000000000000000 c -2.791746665068912 0.000000000000000 8.062101686850806 Atomic positions (fractional): *1 Li 0.10530562238853 0.58185730030592 0.42402319039727 6.941 *2 Li 0.07259013058922 0.58019500270127 0.91023244317052 6.941 *3 Li 0.75181785188552 0.26016914040535 0.75005055833565 6.941 *4 Li 0.75736702471389 0.23581696592625 0.25592645363686 6.941 5 Li 0.58019500270127 0.07259013058922 0.41023244317052 6.941 *6 Li 0.44817577251561 0.89153169077960 0.06537993808301 6.941 7 Li 0.58185730030592 0.10530562238853 0.92402319039727 6.941 8 Li 0.23581696592624 0.75736702471389 0.75592645363686 6.941 9 Li 0.89153169077960 0.44817577251561 0.56537993808301 6.941 10 Li 0.26016914040535 0.75181785188552 0.25005055833565 6.941 *11 Ge 0.35890773746657 0.97868611021123 0.62974857292879 72.640 12 Ge 0.97868611021123 0.35890773746657 0.12974857292879 72.640 *13 P 0.99880279207536 0.01805729773646 0.00552465689269 30.974 *14 P 0.34180115517712 0.31775384667134 0.65995588791469 30.974 15 P 0.01805729773646 0.99880279207536 0.50552465689269 30.974 *16 P 0.69086986692329 0.64554047152748 0.30443523864053 30.974 17 P 0.31775384667134 0.34180115517712 0.15995588791469 30.974 18 P 0.64554047152748 0.69086986692329 0.80443523864053 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.869415080462698 0.000000000000000 0.000000000000000 b 0.000000000000000 5.878267649999999 0.000000000000000 c -2.791746665068912 0.000000000000000 8.062101686850806 Atomic positions (fractional): *1 Li 0.34358146134722 0.23827583895870 0.42402319039727 6.941 > 1 *2 Li 0.32639256664525 0.25380243605602 0.91023244317052 6.941 > 2 *3 Li 0.00599349614544 0.25417564425992 0.75005055833565 6.941 > 3 *4 Li 0.49659199532007 0.73922497060618 0.25592645363686 6.941 > 4 5 Li 0.32639256664525 0.74619756394398 0.41023244317052 6.941 > 5 *6 Li 0.16985373164760 0.72167795913200 0.06537993808301 6.941 > 6 7 Li 0.34358146134722 0.76172416104130 0.92402319039727 6.941 > 7 8 Li 0.49659199532007 0.26077502939382 0.75592645363686 6.941 > 8 9 Li 0.16985373164760 0.27832204086800 0.56537993808301 6.941 > 9 10 Li 0.00599349614544 0.74582435574008 0.25005055833565 6.941 > 10 11 Li 0.84358146134722 0.73827583895870 0.42402319039727 6.941 > 1 12 Li 0.82639256664525 0.75380243605602 0.91023244317052 6.941 > 2 13 Li 0.50599349614544 0.75417564425992 0.75005055833565 6.941 > 3 14 Li 0.99659199532007 0.23922497060618 0.25592645363686 6.941 > 4 15 Li 0.82639256664525 0.24619756394398 0.41023244317052 6.941 > 5 16 Li 0.66985373164760 0.22167795913200 0.06537993808301 6.941 > 6 17 Li 0.84358146134722 0.26172416104130 0.92402319039727 6.941 > 7 18 Li 0.99659199532007 0.76077502939382 0.75592645363686 6.941 > 8 19 Li 0.66985373164760 0.77832204086800 0.56537993808301 6.941 > 9 20 Li 0.50599349614544 0.24582435574008 0.25005055833565 6.941 > 10 *21 Ge 0.16879692383890 0.80988918637233 0.62974857292879 72.640 > 11 22 Ge 0.16879692383890 0.19011081362767 0.12974857292879 72.640 > 12 23 Ge 0.66879692383890 0.30988918637233 0.62974857292879 72.640 > 11 24 Ge 0.66879692383890 0.69011081362767 0.12974857292879 72.640 > 12 *25 P 0.00843004490591 0.00962725283055 0.00552465689269 30.974 > 13 *26 P 0.32977750092423 0.98797634574711 0.65995588791469 30.974 > 14 27 P 0.00843004490591 0.99037274716945 0.50552465689269 30.974 > 15 *28 P 0.16820516922538 0.47733530230209 0.30443523864053 30.974 > 16 29 P 0.32977750092423 0.01202365425289 0.15995588791469 30.974 > 17 30 P 0.16820516922538 0.52266469769791 0.80443523864053 30.974 > 18 31 P 0.50843004490591 0.50962725283055 0.00552465689269 30.974 > 13 32 P 0.82977750092423 0.48797634574711 0.65995588791469 30.974 > 14 33 P 0.50843004490591 0.49037274716945 0.50552465689269 30.974 > 15 34 P 0.66820516922538 0.97733530230209 0.30443523864053 30.974 > 16 35 P 0.82977750092423 0.51202365425289 0.15995588791469 30.974 > 17 36 P 0.66820516922538 0.02266469769790 0.80443523864053 30.974 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.869415080462698 0.000000000000000 0.000000000000000 b 0.000000000000000 11.756535299999998 0.000000000000000 c -5.583493330137824 0.000000000000000 16.124203373701611 Atomic positions (fractional): *1 Li 0.34358146134722 0.11913791947935 0.21201159519863 6.941 > 1 2 Li 0.34358146134722 0.61913791947935 0.21201159519863 6.941 > 1 3 Li 0.34358146134722 0.11913791947935 0.71201159519863 6.941 > 1 4 Li 0.34358146134722 0.61913791947935 0.71201159519863 6.941 > 1 *5 Li 0.32639256664525 0.12690121802801 0.45511622158526 6.941 > 2 6 Li 0.32639256664525 0.62690121802801 0.45511622158526 6.941 > 2 7 Li 0.32639256664525 0.12690121802801 0.95511622158526 6.941 > 2 8 Li 0.32639256664525 0.62690121802801 0.95511622158526 6.941 > 2 *9 Li 0.00599349614544 0.12708782212996 0.37502527916782 6.941 > 3 10 Li 0.00599349614544 0.62708782212996 0.37502527916782 6.941 > 3 11 Li 0.00599349614544 0.12708782212996 0.87502527916782 6.941 > 3 12 Li 0.00599349614544 0.62708782212996 0.87502527916782 6.941 > 3 *13 Li 0.49659199532007 0.36961248530309 0.12796322681843 6.941 > 4 14 Li 0.49659199532007 0.86961248530309 0.12796322681843 6.941 > 4 15 Li 0.49659199532007 0.36961248530309 0.62796322681843 6.941 > 4 16 Li 0.49659199532007 0.86961248530309 0.62796322681843 6.941 > 4 17 Li 0.32639256664525 0.37309878197199 0.20511622158526 6.941 > 5 18 Li 0.32639256664525 0.87309878197199 0.20511622158526 6.941 > 5 19 Li 0.32639256664525 0.37309878197199 0.70511622158526 6.941 > 5 20 Li 0.32639256664525 0.87309878197199 0.70511622158526 6.941 > 5 *21 Li 0.16985373164760 0.36083897956600 0.03268996904151 6.941 > 6 22 Li 0.16985373164760 0.86083897956600 0.03268996904151 6.941 > 6 23 Li 0.16985373164760 0.36083897956600 0.53268996904151 6.941 > 6 24 Li 0.16985373164760 0.86083897956600 0.53268996904151 6.941 > 6 25 Li 0.34358146134722 0.38086208052065 0.46201159519864 6.941 > 7 26 Li 0.34358146134722 0.88086208052065 0.46201159519864 6.941 > 7 27 Li 0.34358146134722 0.38086208052065 0.96201159519864 6.941 > 7 28 Li 0.34358146134722 0.88086208052065 0.96201159519864 6.941 > 7 29 Li 0.49659199532007 0.13038751469691 0.37796322681843 6.941 > 8 30 Li 0.49659199532007 0.63038751469691 0.37796322681843 6.941 > 8 31 Li 0.49659199532007 0.13038751469691 0.87796322681843 6.941 > 8 32 Li 0.49659199532007 0.63038751469691 0.87796322681843 6.941 > 8 33 Li 0.16985373164760 0.13916102043400 0.28268996904151 6.941 > 9 34 Li 0.16985373164760 0.63916102043400 0.28268996904151 6.941 > 9 35 Li 0.16985373164760 0.13916102043400 0.78268996904151 6.941 > 9 36 Li 0.16985373164760 0.63916102043400 0.78268996904151 6.941 > 9 37 Li 0.00599349614544 0.37291217787004 0.12502527916782 6.941 > 10 38 Li 0.00599349614544 0.87291217787004 0.12502527916782 6.941 > 10 39 Li 0.00599349614544 0.37291217787004 0.62502527916782 6.941 > 10 40 Li 0.00599349614544 0.87291217787004 0.62502527916782 6.941 > 10 41 Li 0.84358146134722 0.36913791947935 0.21201159519863 6.941 > 1 42 Li 0.84358146134722 0.86913791947935 0.21201159519863 6.941 > 1 43 Li 0.84358146134722 0.36913791947935 0.71201159519863 6.941 > 1 44 Li 0.84358146134722 0.86913791947935 0.71201159519863 6.941 > 1 45 Li 0.82639256664525 0.37690121802801 0.45511622158526 6.941 > 2 46 Li 0.82639256664525 0.87690121802801 0.45511622158526 6.941 > 2 47 Li 0.82639256664525 0.37690121802801 0.95511622158526 6.941 > 2 48 Li 0.82639256664525 0.87690121802801 0.95511622158526 6.941 > 2 49 Li 0.50599349614544 0.37708782212996 0.37502527916782 6.941 > 3 50 Li 0.50599349614544 0.87708782212996 0.37502527916782 6.941 > 3 51 Li 0.50599349614544 0.37708782212996 0.87502527916782 6.941 > 3 52 Li 0.50599349614544 0.87708782212996 0.87502527916782 6.941 > 3 53 Li 0.99659199532007 0.11961248530309 0.12796322681843 6.941 > 4 54 Li 0.99659199532007 0.61961248530309 0.12796322681843 6.941 > 4 55 Li 0.99659199532007 0.11961248530309 0.62796322681843 6.941 > 4 56 Li 0.99659199532007 0.61961248530309 0.62796322681843 6.941 > 4 57 Li 0.82639256664525 0.12309878197199 0.20511622158526 6.941 > 5 58 Li 0.82639256664525 0.62309878197199 0.20511622158526 6.941 > 5 59 Li 0.82639256664525 0.12309878197199 0.70511622158526 6.941 > 5 60 Li 0.82639256664525 0.62309878197199 0.70511622158526 6.941 > 5 61 Li 0.66985373164760 0.11083897956600 0.03268996904151 6.941 > 6 62 Li 0.66985373164760 0.61083897956600 0.03268996904151 6.941 > 6 63 Li 0.66985373164760 0.11083897956600 0.53268996904151 6.941 > 6 64 Li 0.66985373164760 0.61083897956600 0.53268996904151 6.941 > 6 65 Li 0.84358146134722 0.13086208052065 0.46201159519864 6.941 > 7 66 Li 0.84358146134722 0.63086208052065 0.46201159519864 6.941 > 7 67 Li 0.84358146134722 0.13086208052065 0.96201159519864 6.941 > 7 68 Li 0.84358146134722 0.63086208052065 0.96201159519864 6.941 > 7 69 Li 0.99659199532007 0.38038751469691 0.37796322681843 6.941 > 8 70 Li 0.99659199532007 0.88038751469691 0.37796322681843 6.941 > 8 71 Li 0.99659199532007 0.38038751469691 0.87796322681843 6.941 > 8 72 Li 0.99659199532007 0.88038751469691 0.87796322681843 6.941 > 8 73 Li 0.66985373164760 0.38916102043400 0.28268996904151 6.941 > 9 74 Li 0.66985373164760 0.88916102043400 0.28268996904151 6.941 > 9 75 Li 0.66985373164760 0.38916102043400 0.78268996904151 6.941 > 9 76 Li 0.66985373164760 0.88916102043400 0.78268996904151 6.941 > 9 77 Li 0.50599349614544 0.12291217787004 0.12502527916782 6.941 > 10 78 Li 0.50599349614544 0.62291217787004 0.12502527916782 6.941 > 10 79 Li 0.50599349614544 0.12291217787004 0.62502527916782 6.941 > 10 80 Li 0.50599349614544 0.62291217787004 0.62502527916782 6.941 > 10 *81 Ge 0.16879692383890 0.40494459318616 0.31487428646440 72.640 > 11 82 Ge 0.16879692383890 0.90494459318616 0.31487428646440 72.640 > 11 83 Ge 0.16879692383890 0.40494459318616 0.81487428646440 72.640 > 11 84 Ge 0.16879692383890 0.90494459318616 0.81487428646440 72.640 > 11 85 Ge 0.16879692383890 0.09505540681384 0.06487428646440 72.640 > 12 86 Ge 0.16879692383890 0.59505540681384 0.06487428646440 72.640 > 12 87 Ge 0.16879692383890 0.09505540681384 0.56487428646440 72.640 > 12 88 Ge 0.16879692383890 0.59505540681384 0.56487428646440 72.640 > 12 89 Ge 0.66879692383890 0.15494459318616 0.31487428646440 72.640 > 11 90 Ge 0.66879692383890 0.65494459318616 0.31487428646440 72.640 > 11 91 Ge 0.66879692383890 0.15494459318616 0.81487428646440 72.640 > 11 92 Ge 0.66879692383890 0.65494459318616 0.81487428646440 72.640 > 11 93 Ge 0.66879692383890 0.34505540681384 0.06487428646440 72.640 > 12 94 Ge 0.66879692383890 0.84505540681384 0.06487428646440 72.640 > 12 95 Ge 0.66879692383890 0.34505540681384 0.56487428646440 72.640 > 12 96 Ge 0.66879692383890 0.84505540681384 0.56487428646440 72.640 > 12 *97 P 0.00843004490591 0.00481362641527 0.00276232844635 30.974 > 13 98 P 0.00843004490591 0.50481362641527 0.00276232844635 30.974 > 13 99 P 0.00843004490591 0.00481362641527 0.50276232844635 30.974 > 13 100 P 0.00843004490591 0.50481362641527 0.50276232844635 30.974 > 13 *101 P 0.32977750092423 0.49398817287356 0.32997794395735 30.974 > 14 102 P 0.32977750092423 0.99398817287356 0.32997794395735 30.974 > 14 103 P 0.32977750092423 0.49398817287356 0.82997794395735 30.974 > 14 104 P 0.32977750092423 0.99398817287356 0.82997794395735 30.974 > 14 105 P 0.00843004490591 0.49518637358473 0.25276232844635 30.974 > 15 106 P 0.00843004490591 0.99518637358473 0.25276232844635 30.974 > 15 107 P 0.00843004490591 0.49518637358473 0.75276232844635 30.974 > 15 108 P 0.00843004490591 0.99518637358473 0.75276232844635 30.974 > 15 *109 P 0.16820516922538 0.23866765115105 0.15221761932026 30.974 > 16 110 P 0.16820516922538 0.73866765115105 0.15221761932026 30.974 > 16 111 P 0.16820516922538 0.23866765115105 0.65221761932026 30.974 > 16 112 P 0.16820516922538 0.73866765115105 0.65221761932026 30.974 > 16 113 P 0.32977750092423 0.00601182712644 0.07997794395735 30.974 > 17 114 P 0.32977750092423 0.50601182712644 0.07997794395735 30.974 > 17 115 P 0.32977750092423 0.00601182712644 0.57997794395735 30.974 > 17 116 P 0.32977750092423 0.50601182712644 0.57997794395735 30.974 > 17 117 P 0.16820516922538 0.26133234884895 0.40221761932026 30.974 > 18 118 P 0.16820516922538 0.76133234884895 0.40221761932026 30.974 > 18 119 P 0.16820516922538 0.26133234884895 0.90221761932026 30.974 > 18 120 P 0.16820516922538 0.76133234884895 0.90221761932026 30.974 > 18 121 P 0.50843004490591 0.25481362641527 0.00276232844635 30.974 > 13 122 P 0.50843004490591 0.75481362641527 0.00276232844635 30.974 > 13 123 P 0.50843004490591 0.25481362641527 0.50276232844635 30.974 > 13 124 P 0.50843004490591 0.75481362641527 0.50276232844635 30.974 > 13 125 P 0.82977750092423 0.24398817287356 0.32997794395735 30.974 > 14 126 P 0.82977750092423 0.74398817287356 0.32997794395735 30.974 > 14 127 P 0.82977750092423 0.24398817287356 0.82997794395735 30.974 > 14 128 P 0.82977750092423 0.74398817287356 0.82997794395735 30.974 > 14 129 P 0.50843004490591 0.24518637358473 0.25276232844635 30.974 > 15 130 P 0.50843004490591 0.74518637358473 0.25276232844635 30.974 > 15 131 P 0.50843004490591 0.24518637358473 0.75276232844635 30.974 > 15 132 P 0.50843004490591 0.74518637358473 0.75276232844635 30.974 > 15 133 P 0.66820516922538 0.48866765115105 0.15221761932026 30.974 > 16 134 P 0.66820516922538 0.98866765115105 0.15221761932026 30.974 > 16 135 P 0.66820516922538 0.48866765115105 0.65221761932026 30.974 > 16 136 P 0.66820516922538 0.98866765115105 0.65221761932026 30.974 > 16 137 P 0.82977750092423 0.25601182712644 0.07997794395735 30.974 > 17 138 P 0.82977750092423 0.75601182712644 0.07997794395735 30.974 > 17 139 P 0.82977750092423 0.25601182712644 0.57997794395735 30.974 > 17 140 P 0.82977750092423 0.75601182712644 0.57997794395735 30.974 > 17 141 P 0.66820516922538 0.01133234884895 0.40221761932026 30.974 > 18 142 P 0.66820516922538 0.51133234884895 0.40221761932026 30.974 > 18 143 P 0.66820516922538 0.01133234884895 0.90221761932026 30.974 > 18 144 P 0.66820516922538 0.51133234884895 0.90221761932026 30.974 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6875625 0.0000000 0.3866400 0.0000000 9.3298591 0.0000000 0.3863009 0.0000000 8.1220298 -------------------------- Born effective charges -------------------------- 1 Li 0.9107829 0.4019791 0.0122143 0.0244749 0.5754905 -0.2394323 0.2178603 0.0129651 0.9831085 2 Li 1.0395243 0.5435005 0.0874160 0.0628461 1.1477267 0.3921135 0.3239645 0.1292514 1.0736567 3 Li 0.9164247 -0.3939096 -0.0480517 0.0941852 0.8910192 0.4428397 -0.2138230 -0.2092959 0.8484421 4 Li 1.3192389 -0.5529201 0.0853851 -0.3450671 0.8845412 -0.3651956 -0.1469056 -0.2390376 0.8247739 5 Li 1.0395243 -0.5435005 0.0874160 -0.0628461 1.1477267 -0.3921135 0.3239645 -0.1292514 1.0736567 6 Li 0.5256331 -0.0398477 -0.1247102 0.0581609 1.0012179 -0.1719506 -0.1309886 0.2927698 0.8546788 7 Li 0.9107829 -0.4019791 0.0122143 -0.0244749 0.5754905 0.2394323 0.2178603 -0.0129651 0.9831085 8 Li 1.3192389 0.5529201 0.0853851 0.3450671 0.8845412 0.3651956 -0.1469056 0.2390376 0.8247739 9 Li 0.5256331 0.0398477 -0.1247102 -0.0581609 1.0012179 0.1719506 -0.1309886 -0.2927698 0.8546788 10 Li 0.9164247 0.3939096 -0.0480517 -0.0941852 0.8910192 -0.4428397 -0.2138230 0.2092959 0.8484421 11 Ge 2.8892740 0.5266856 0.6129421 0.2749708 2.3201643 -1.0160402 0.6086471 -1.1680250 1.4700790 12 Ge 2.8892740 -0.5266856 0.6129421 -0.2749708 2.3201643 1.0160402 0.6086471 1.1680250 1.4700790 13 P -2.6724976 -0.3668603 -0.4562080 -0.5631563 -2.0934552 -0.5072953 -0.5406817 -0.7197760 -2.0694208 14 P -3.0029068 -0.6704037 -0.2576195 -0.6901434 -2.1665966 -0.3214771 -0.1724054 0.2547975 -1.7604418 15 P -2.6724976 0.3668603 -0.4562080 0.5631563 -2.0934552 0.5072953 -0.5406817 0.7197760 -2.0694208 16 P -1.9254735 0.2126500 0.0886319 0.2736209 -2.5601079 -0.4884578 0.0543324 -0.7685423 -2.2248765 17 P -3.0029068 0.6704037 -0.2576195 0.6901434 -2.1665966 0.3214771 -0.1724054 -0.2547975 -1.7604418 18 P -1.9254735 -0.2126500 0.0886319 -0.2736209 -2.5601079 0.4884578 0.0543324 0.7685423 -2.2248765 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14400/14400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5886 Number of blocks in projector: 5886 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5806), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 1120 - Time: 1.948 Solver_block: 200 / 1120 - Time: 1.768 Solver_block: 300 / 1120 - Time: 1.763 Solver_block: 400 / 1120 - Time: 1.774 Solver_block: 500 / 1120 - Time: 1.767 Solver_block: 600 / 1120 - Time: 1.771 Solver_block: 700 / 1120 - Time: 1.768 Solver_block: 800 / 1120 - Time: 1.770 Solver_block: 900 / 1120 - Time: 1.769 Solver_block: 1000 / 1120 - Time: 1.771 Solver_block: 1100 / 1120 - Time: 1.770 Solver_block: 1120 / 1120 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.696 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14400/14400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5886 Number of blocks in projector: 5886 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5806), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:36:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:36:11]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.434707540231349 -2.939133824999999 0.000000000000000 b 6.434707540231349 2.939133824999999 0.000000000000000 c -2.791746665068912 0.000000000000000 8.062101686850806 Atomic positions (fractional): 1 Li 0.10530562238853 0.58185730030592 0.42402319039727 6.941 2 Li 0.07259013058922 0.58019500270127 0.91023244317052 6.941 3 Li 0.75181785188552 0.26016914040535 0.75005055833565 6.941 4 Li 0.75736702471389 0.23581696592625 0.25592645363686 6.941 5 Li 0.58019500270127 0.07259013058922 0.41023244317052 6.941 6 Li 0.44817577251561 0.89153169077960 0.06537993808301 6.941 7 Li 0.58185730030592 0.10530562238853 0.92402319039727 6.941 8 Li 0.23581696592624 0.75736702471389 0.75592645363686 6.941 9 Li 0.89153169077960 0.44817577251561 0.56537993808301 6.941 10 Li 0.26016914040535 0.75181785188552 0.25005055833565 6.941 11 Ge 0.35890773746657 0.97868611021123 0.62974857292879 72.640 12 Ge 0.97868611021123 0.35890773746657 0.12974857292879 72.640 13 P 0.99880279207536 0.01805729773646 0.00552465689269 30.974 14 P 0.34180115517712 0.31775384667134 0.65995588791469 30.974 15 P 0.01805729773646 0.99880279207536 0.50552465689269 30.974 16 P 0.69086986692329 0.64554047152748 0.30443523864053 30.974 17 P 0.31775384667134 0.34180115517712 0.15995588791469 30.974 18 P 0.64554047152748 0.69086986692329 0.80443523864053 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.869415080462698 0.000000000000000 0.000000000000000 b 0.000000000000000 11.756535299999998 0.000000000000000 c -5.583493330137824 0.000000000000000 16.124203373701611 Atomic positions (fractional): 1 Li 0.34358146134722 0.11913791947935 0.21201159519863 6.941 > 1 2 Li 0.34358146134722 0.61913791947935 0.21201159519863 6.941 > 1 3 Li 0.34358146134722 0.11913791947935 0.71201159519863 6.941 > 1 4 Li 0.34358146134722 0.61913791947935 0.71201159519863 6.941 > 1 5 Li 0.32639256664525 0.12690121802801 0.45511622158526 6.941 > 5 6 Li 0.32639256664525 0.62690121802801 0.45511622158526 6.941 > 5 7 Li 0.32639256664525 0.12690121802801 0.95511622158526 6.941 > 5 8 Li 0.32639256664525 0.62690121802801 0.95511622158526 6.941 > 5 9 Li 0.00599349614544 0.12708782212996 0.37502527916782 6.941 > 9 10 Li 0.00599349614544 0.62708782212996 0.37502527916782 6.941 > 9 11 Li 0.00599349614544 0.12708782212996 0.87502527916782 6.941 > 9 12 Li 0.00599349614544 0.62708782212996 0.87502527916782 6.941 > 9 13 Li 0.49659199532007 0.36961248530309 0.12796322681843 6.941 > 13 14 Li 0.49659199532007 0.86961248530309 0.12796322681843 6.941 > 13 15 Li 0.49659199532007 0.36961248530309 0.62796322681843 6.941 > 13 16 Li 0.49659199532007 0.86961248530309 0.62796322681843 6.941 > 13 17 Li 0.32639256664525 0.37309878197199 0.20511622158526 6.941 > 17 18 Li 0.32639256664525 0.87309878197199 0.20511622158526 6.941 > 17 19 Li 0.32639256664525 0.37309878197199 0.70511622158526 6.941 > 17 20 Li 0.32639256664525 0.87309878197199 0.70511622158526 6.941 > 17 21 Li 0.16985373164760 0.36083897956600 0.03268996904151 6.941 > 21 22 Li 0.16985373164760 0.86083897956600 0.03268996904151 6.941 > 21 23 Li 0.16985373164760 0.36083897956600 0.53268996904151 6.941 > 21 24 Li 0.16985373164760 0.86083897956600 0.53268996904151 6.941 > 21 25 Li 0.34358146134722 0.38086208052065 0.46201159519864 6.941 > 25 26 Li 0.34358146134722 0.88086208052065 0.46201159519864 6.941 > 25 27 Li 0.34358146134722 0.38086208052065 0.96201159519864 6.941 > 25 28 Li 0.34358146134722 0.88086208052065 0.96201159519864 6.941 > 25 29 Li 0.49659199532007 0.13038751469691 0.37796322681843 6.941 > 29 30 Li 0.49659199532007 0.63038751469691 0.37796322681843 6.941 > 29 31 Li 0.49659199532007 0.13038751469691 0.87796322681843 6.941 > 29 32 Li 0.49659199532007 0.63038751469691 0.87796322681843 6.941 > 29 33 Li 0.16985373164760 0.13916102043400 0.28268996904151 6.941 > 33 34 Li 0.16985373164760 0.63916102043400 0.28268996904151 6.941 > 33 35 Li 0.16985373164760 0.13916102043400 0.78268996904151 6.941 > 33 36 Li 0.16985373164760 0.63916102043400 0.78268996904151 6.941 > 33 37 Li 0.00599349614544 0.37291217787004 0.12502527916782 6.941 > 37 38 Li 0.00599349614544 0.87291217787004 0.12502527916782 6.941 > 37 39 Li 0.00599349614544 0.37291217787004 0.62502527916782 6.941 > 37 40 Li 0.00599349614544 0.87291217787004 0.62502527916782 6.941 > 37 41 Li 0.84358146134722 0.36913791947935 0.21201159519863 6.941 > 1 42 Li 0.84358146134722 0.86913791947935 0.21201159519863 6.941 > 1 43 Li 0.84358146134722 0.36913791947935 0.71201159519863 6.941 > 1 44 Li 0.84358146134722 0.86913791947935 0.71201159519863 6.941 > 1 45 Li 0.82639256664525 0.37690121802801 0.45511622158526 6.941 > 5 46 Li 0.82639256664525 0.87690121802801 0.45511622158526 6.941 > 5 47 Li 0.82639256664525 0.37690121802801 0.95511622158526 6.941 > 5 48 Li 0.82639256664525 0.87690121802801 0.95511622158526 6.941 > 5 49 Li 0.50599349614544 0.37708782212996 0.37502527916782 6.941 > 9 50 Li 0.50599349614544 0.87708782212996 0.37502527916782 6.941 > 9 51 Li 0.50599349614544 0.37708782212996 0.87502527916782 6.941 > 9 52 Li 0.50599349614544 0.87708782212996 0.87502527916782 6.941 > 9 53 Li 0.99659199532007 0.11961248530309 0.12796322681843 6.941 > 13 54 Li 0.99659199532007 0.61961248530309 0.12796322681843 6.941 > 13 55 Li 0.99659199532007 0.11961248530309 0.62796322681843 6.941 > 13 56 Li 0.99659199532007 0.61961248530309 0.62796322681843 6.941 > 13 57 Li 0.82639256664525 0.12309878197199 0.20511622158526 6.941 > 17 58 Li 0.82639256664525 0.62309878197199 0.20511622158526 6.941 > 17 59 Li 0.82639256664525 0.12309878197199 0.70511622158526 6.941 > 17 60 Li 0.82639256664525 0.62309878197199 0.70511622158526 6.941 > 17 61 Li 0.66985373164760 0.11083897956600 0.03268996904151 6.941 > 21 62 Li 0.66985373164760 0.61083897956600 0.03268996904151 6.941 > 21 63 Li 0.66985373164760 0.11083897956600 0.53268996904151 6.941 > 21 64 Li 0.66985373164760 0.61083897956600 0.53268996904151 6.941 > 21 65 Li 0.84358146134722 0.13086208052065 0.46201159519864 6.941 > 25 66 Li 0.84358146134722 0.63086208052065 0.46201159519864 6.941 > 25 67 Li 0.84358146134722 0.13086208052065 0.96201159519864 6.941 > 25 68 Li 0.84358146134722 0.63086208052065 0.96201159519864 6.941 > 25 69 Li 0.99659199532007 0.38038751469691 0.37796322681843 6.941 > 29 70 Li 0.99659199532007 0.88038751469691 0.37796322681843 6.941 > 29 71 Li 0.99659199532007 0.38038751469691 0.87796322681843 6.941 > 29 72 Li 0.99659199532007 0.88038751469691 0.87796322681843 6.941 > 29 73 Li 0.66985373164760 0.38916102043400 0.28268996904151 6.941 > 33 74 Li 0.66985373164760 0.88916102043400 0.28268996904151 6.941 > 33 75 Li 0.66985373164760 0.38916102043400 0.78268996904151 6.941 > 33 76 Li 0.66985373164760 0.88916102043400 0.78268996904151 6.941 > 33 77 Li 0.50599349614544 0.12291217787004 0.12502527916782 6.941 > 37 78 Li 0.50599349614544 0.62291217787004 0.12502527916782 6.941 > 37 79 Li 0.50599349614544 0.12291217787004 0.62502527916782 6.941 > 37 80 Li 0.50599349614544 0.62291217787004 0.62502527916782 6.941 > 37 81 Ge 0.16879692383890 0.40494459318616 0.31487428646440 72.640 > 81 82 Ge 0.16879692383890 0.90494459318616 0.31487428646440 72.640 > 81 83 Ge 0.16879692383890 0.40494459318616 0.81487428646440 72.640 > 81 84 Ge 0.16879692383890 0.90494459318616 0.81487428646440 72.640 > 81 85 Ge 0.16879692383890 0.09505540681384 0.06487428646440 72.640 > 85 86 Ge 0.16879692383890 0.59505540681384 0.06487428646440 72.640 > 85 87 Ge 0.16879692383890 0.09505540681384 0.56487428646440 72.640 > 85 88 Ge 0.16879692383890 0.59505540681384 0.56487428646440 72.640 > 85 89 Ge 0.66879692383890 0.15494459318616 0.31487428646440 72.640 > 81 90 Ge 0.66879692383890 0.65494459318616 0.31487428646440 72.640 > 81 91 Ge 0.66879692383890 0.15494459318616 0.81487428646440 72.640 > 81 92 Ge 0.66879692383890 0.65494459318616 0.81487428646440 72.640 > 81 93 Ge 0.66879692383890 0.34505540681384 0.06487428646440 72.640 > 85 94 Ge 0.66879692383890 0.84505540681384 0.06487428646440 72.640 > 85 95 Ge 0.66879692383890 0.34505540681384 0.56487428646440 72.640 > 85 96 Ge 0.66879692383890 0.84505540681384 0.56487428646440 72.640 > 85 97 P 0.00843004490591 0.00481362641527 0.00276232844635 30.974 > 97 98 P 0.00843004490591 0.50481362641527 0.00276232844635 30.974 > 97 99 P 0.00843004490591 0.00481362641527 0.50276232844635 30.974 > 97 100 P 0.00843004490591 0.50481362641527 0.50276232844635 30.974 > 97 101 P 0.32977750092423 0.49398817287356 0.32997794395735 30.974 > 101 102 P 0.32977750092423 0.99398817287356 0.32997794395735 30.974 > 101 103 P 0.32977750092423 0.49398817287356 0.82997794395735 30.974 > 101 104 P 0.32977750092423 0.99398817287356 0.82997794395735 30.974 > 101 105 P 0.00843004490591 0.49518637358473 0.25276232844635 30.974 > 105 106 P 0.00843004490591 0.99518637358473 0.25276232844635 30.974 > 105 107 P 0.00843004490591 0.49518637358473 0.75276232844635 30.974 > 105 108 P 0.00843004490591 0.99518637358473 0.75276232844635 30.974 > 105 109 P 0.16820516922538 0.23866765115105 0.15221761932026 30.974 > 109 110 P 0.16820516922538 0.73866765115105 0.15221761932026 30.974 > 109 111 P 0.16820516922538 0.23866765115105 0.65221761932026 30.974 > 109 112 P 0.16820516922538 0.73866765115105 0.65221761932026 30.974 > 109 113 P 0.32977750092423 0.00601182712644 0.07997794395735 30.974 > 113 114 P 0.32977750092423 0.50601182712644 0.07997794395735 30.974 > 113 115 P 0.32977750092423 0.00601182712644 0.57997794395735 30.974 > 113 116 P 0.32977750092423 0.50601182712644 0.57997794395735 30.974 > 113 117 P 0.16820516922538 0.26133234884895 0.40221761932026 30.974 > 117 118 P 0.16820516922538 0.76133234884895 0.40221761932026 30.974 > 117 119 P 0.16820516922538 0.26133234884895 0.90221761932026 30.974 > 117 120 P 0.16820516922538 0.76133234884895 0.90221761932026 30.974 > 117 121 P 0.50843004490591 0.25481362641527 0.00276232844635 30.974 > 97 122 P 0.50843004490591 0.75481362641527 0.00276232844635 30.974 > 97 123 P 0.50843004490591 0.25481362641527 0.50276232844635 30.974 > 97 124 P 0.50843004490591 0.75481362641527 0.50276232844635 30.974 > 97 125 P 0.82977750092423 0.24398817287356 0.32997794395735 30.974 > 101 126 P 0.82977750092423 0.74398817287356 0.32997794395735 30.974 > 101 127 P 0.82977750092423 0.24398817287356 0.82997794395735 30.974 > 101 128 P 0.82977750092423 0.74398817287356 0.82997794395735 30.974 > 101 129 P 0.50843004490591 0.24518637358473 0.25276232844635 30.974 > 105 130 P 0.50843004490591 0.74518637358473 0.25276232844635 30.974 > 105 131 P 0.50843004490591 0.24518637358473 0.75276232844635 30.974 > 105 132 P 0.50843004490591 0.74518637358473 0.75276232844635 30.974 > 105 133 P 0.66820516922538 0.48866765115105 0.15221761932026 30.974 > 109 134 P 0.66820516922538 0.98866765115105 0.15221761932026 30.974 > 109 135 P 0.66820516922538 0.48866765115105 0.65221761932026 30.974 > 109 136 P 0.66820516922538 0.98866765115105 0.65221761932026 30.974 > 109 137 P 0.82977750092423 0.25601182712644 0.07997794395735 30.974 > 113 138 P 0.82977750092423 0.75601182712644 0.07997794395735 30.974 > 113 139 P 0.82977750092423 0.25601182712644 0.57997794395735 30.974 > 113 140 P 0.82977750092423 0.75601182712644 0.57997794395735 30.974 > 113 141 P 0.66820516922538 0.01133234884895 0.40221761932026 30.974 > 117 142 P 0.66820516922538 0.51133234884895 0.40221761932026 30.974 > 117 143 P 0.66820516922538 0.01133234884895 0.90221761932026 30.974 > 117 144 P 0.66820516922538 0.51133234884895 0.90221761932026 30.974 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6875625 0.0000000 0.3866400 0.0000000 9.3298591 0.0000000 0.3863009 0.0000000 8.1220298 -------------------------- Born effective charges -------------------------- 1 Li 0.9107829 0.4019791 0.0122143 0.0244749 0.5754905 -0.2394323 0.2178603 0.0129651 0.9831085 2 Li 1.0395243 0.5435005 0.0874160 0.0628461 1.1477267 0.3921135 0.3239645 0.1292514 1.0736567 3 Li 0.9164247 -0.3939096 -0.0480517 0.0941852 0.8910192 0.4428397 -0.2138230 -0.2092959 0.8484421 4 Li 1.3192389 -0.5529201 0.0853851 -0.3450671 0.8845412 -0.3651956 -0.1469056 -0.2390376 0.8247739 5 Li 1.0395243 -0.5435005 0.0874160 -0.0628461 1.1477267 -0.3921135 0.3239645 -0.1292514 1.0736567 6 Li 0.5256331 -0.0398477 -0.1247102 0.0581609 1.0012179 -0.1719506 -0.1309886 0.2927698 0.8546788 7 Li 0.9107829 -0.4019791 0.0122143 -0.0244749 0.5754905 0.2394323 0.2178603 -0.0129651 0.9831085 8 Li 1.3192389 0.5529201 0.0853851 0.3450671 0.8845412 0.3651956 -0.1469056 0.2390376 0.8247739 9 Li 0.5256331 0.0398477 -0.1247102 -0.0581609 1.0012179 0.1719506 -0.1309886 -0.2927698 0.8546788 10 Li 0.9164247 0.3939096 -0.0480517 -0.0941852 0.8910192 -0.4428397 -0.2138230 0.2092959 0.8484421 11 Ge 2.8892740 0.5266856 0.6129421 0.2749708 2.3201643 -1.0160402 0.6086471 -1.1680250 1.4700790 12 Ge 2.8892740 -0.5266856 0.6129421 -0.2749708 2.3201643 1.0160402 0.6086471 1.1680250 1.4700790 13 P -2.6724976 -0.3668603 -0.4562080 -0.5631563 -2.0934552 -0.5072953 -0.5406817 -0.7197760 -2.0694208 14 P -3.0029068 -0.6704037 -0.2576195 -0.6901434 -2.1665966 -0.3214771 -0.1724054 0.2547975 -1.7604418 15 P -2.6724976 0.3668603 -0.4562080 0.5631563 -2.0934552 0.5072953 -0.5406817 0.7197760 -2.0694208 16 P -1.9254735 0.2126500 0.0886319 0.2736209 -2.5601079 -0.4884578 0.0543324 -0.7685423 -2.2248765 17 P -3.0029068 0.6704037 -0.2576195 0.6901434 -2.1665966 0.3214771 -0.1724054 -0.2547975 -1.7604418 18 P -1.9254735 -0.2126500 0.0886319 -0.2736209 -2.5601079 0.4884578 0.0543324 0.7685423 -2.2248765 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 21, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 101, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 109, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:37:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:37:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.434707540231349 -2.939133824999999 0.000000000000000 b 6.434707540231349 2.939133824999999 0.000000000000000 c -2.791746665068912 0.000000000000000 8.062101686850806 Atomic positions (fractional): 1 Li 0.10530562238853 0.58185730030592 0.42402319039727 6.941 2 Li 0.07259013058922 0.58019500270127 0.91023244317052 6.941 3 Li 0.75181785188552 0.26016914040535 0.75005055833565 6.941 4 Li 0.75736702471389 0.23581696592625 0.25592645363686 6.941 5 Li 0.58019500270127 0.07259013058922 0.41023244317052 6.941 6 Li 0.44817577251561 0.89153169077960 0.06537993808301 6.941 7 Li 0.58185730030592 0.10530562238853 0.92402319039727 6.941 8 Li 0.23581696592624 0.75736702471389 0.75592645363686 6.941 9 Li 0.89153169077960 0.44817577251561 0.56537993808301 6.941 10 Li 0.26016914040535 0.75181785188552 0.25005055833565 6.941 11 Ge 0.35890773746657 0.97868611021123 0.62974857292879 72.640 12 Ge 0.97868611021123 0.35890773746657 0.12974857292879 72.640 13 P 0.99880279207536 0.01805729773646 0.00552465689269 30.974 14 P 0.34180115517712 0.31775384667134 0.65995588791469 30.974 15 P 0.01805729773646 0.99880279207536 0.50552465689269 30.974 16 P 0.69086986692329 0.64554047152748 0.30443523864053 30.974 17 P 0.31775384667134 0.34180115517712 0.15995588791469 30.974 18 P 0.64554047152748 0.69086986692329 0.80443523864053 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.869415080462698 0.000000000000000 0.000000000000000 b 0.000000000000000 11.756535299999998 0.000000000000000 c -5.583493330137824 0.000000000000000 16.124203373701611 Atomic positions (fractional): 1 Li 0.34358146134722 0.11913791947935 0.21201159519863 6.941 > 1 2 Li 0.34358146134722 0.61913791947935 0.21201159519863 6.941 > 1 3 Li 0.34358146134722 0.11913791947935 0.71201159519863 6.941 > 1 4 Li 0.34358146134722 0.61913791947935 0.71201159519863 6.941 > 1 5 Li 0.32639256664525 0.12690121802801 0.45511622158526 6.941 > 5 6 Li 0.32639256664525 0.62690121802801 0.45511622158526 6.941 > 5 7 Li 0.32639256664525 0.12690121802801 0.95511622158526 6.941 > 5 8 Li 0.32639256664525 0.62690121802801 0.95511622158526 6.941 > 5 9 Li 0.00599349614544 0.12708782212996 0.37502527916782 6.941 > 9 10 Li 0.00599349614544 0.62708782212996 0.37502527916782 6.941 > 9 11 Li 0.00599349614544 0.12708782212996 0.87502527916782 6.941 > 9 12 Li 0.00599349614544 0.62708782212996 0.87502527916782 6.941 > 9 13 Li 0.49659199532007 0.36961248530309 0.12796322681843 6.941 > 13 14 Li 0.49659199532007 0.86961248530309 0.12796322681843 6.941 > 13 15 Li 0.49659199532007 0.36961248530309 0.62796322681843 6.941 > 13 16 Li 0.49659199532007 0.86961248530309 0.62796322681843 6.941 > 13 17 Li 0.32639256664525 0.37309878197199 0.20511622158526 6.941 > 17 18 Li 0.32639256664525 0.87309878197199 0.20511622158526 6.941 > 17 19 Li 0.32639256664525 0.37309878197199 0.70511622158526 6.941 > 17 20 Li 0.32639256664525 0.87309878197199 0.70511622158526 6.941 > 17 21 Li 0.16985373164760 0.36083897956600 0.03268996904151 6.941 > 21 22 Li 0.16985373164760 0.86083897956600 0.03268996904151 6.941 > 21 23 Li 0.16985373164760 0.36083897956600 0.53268996904151 6.941 > 21 24 Li 0.16985373164760 0.86083897956600 0.53268996904151 6.941 > 21 25 Li 0.34358146134722 0.38086208052065 0.46201159519864 6.941 > 25 26 Li 0.34358146134722 0.88086208052065 0.46201159519864 6.941 > 25 27 Li 0.34358146134722 0.38086208052065 0.96201159519864 6.941 > 25 28 Li 0.34358146134722 0.88086208052065 0.96201159519864 6.941 > 25 29 Li 0.49659199532007 0.13038751469691 0.37796322681843 6.941 > 29 30 Li 0.49659199532007 0.63038751469691 0.37796322681843 6.941 > 29 31 Li 0.49659199532007 0.13038751469691 0.87796322681843 6.941 > 29 32 Li 0.49659199532007 0.63038751469691 0.87796322681843 6.941 > 29 33 Li 0.16985373164760 0.13916102043400 0.28268996904151 6.941 > 33 34 Li 0.16985373164760 0.63916102043400 0.28268996904151 6.941 > 33 35 Li 0.16985373164760 0.13916102043400 0.78268996904151 6.941 > 33 36 Li 0.16985373164760 0.63916102043400 0.78268996904151 6.941 > 33 37 Li 0.00599349614544 0.37291217787004 0.12502527916782 6.941 > 37 38 Li 0.00599349614544 0.87291217787004 0.12502527916782 6.941 > 37 39 Li 0.00599349614544 0.37291217787004 0.62502527916782 6.941 > 37 40 Li 0.00599349614544 0.87291217787004 0.62502527916782 6.941 > 37 41 Li 0.84358146134722 0.36913791947935 0.21201159519863 6.941 > 1 42 Li 0.84358146134722 0.86913791947935 0.21201159519863 6.941 > 1 43 Li 0.84358146134722 0.36913791947935 0.71201159519863 6.941 > 1 44 Li 0.84358146134722 0.86913791947935 0.71201159519863 6.941 > 1 45 Li 0.82639256664525 0.37690121802801 0.45511622158526 6.941 > 5 46 Li 0.82639256664525 0.87690121802801 0.45511622158526 6.941 > 5 47 Li 0.82639256664525 0.37690121802801 0.95511622158526 6.941 > 5 48 Li 0.82639256664525 0.87690121802801 0.95511622158526 6.941 > 5 49 Li 0.50599349614544 0.37708782212996 0.37502527916782 6.941 > 9 50 Li 0.50599349614544 0.87708782212996 0.37502527916782 6.941 > 9 51 Li 0.50599349614544 0.37708782212996 0.87502527916782 6.941 > 9 52 Li 0.50599349614544 0.87708782212996 0.87502527916782 6.941 > 9 53 Li 0.99659199532007 0.11961248530309 0.12796322681843 6.941 > 13 54 Li 0.99659199532007 0.61961248530309 0.12796322681843 6.941 > 13 55 Li 0.99659199532007 0.11961248530309 0.62796322681843 6.941 > 13 56 Li 0.99659199532007 0.61961248530309 0.62796322681843 6.941 > 13 57 Li 0.82639256664525 0.12309878197199 0.20511622158526 6.941 > 17 58 Li 0.82639256664525 0.62309878197199 0.20511622158526 6.941 > 17 59 Li 0.82639256664525 0.12309878197199 0.70511622158526 6.941 > 17 60 Li 0.82639256664525 0.62309878197199 0.70511622158526 6.941 > 17 61 Li 0.66985373164760 0.11083897956600 0.03268996904151 6.941 > 21 62 Li 0.66985373164760 0.61083897956600 0.03268996904151 6.941 > 21 63 Li 0.66985373164760 0.11083897956600 0.53268996904151 6.941 > 21 64 Li 0.66985373164760 0.61083897956600 0.53268996904151 6.941 > 21 65 Li 0.84358146134722 0.13086208052065 0.46201159519864 6.941 > 25 66 Li 0.84358146134722 0.63086208052065 0.46201159519864 6.941 > 25 67 Li 0.84358146134722 0.13086208052065 0.96201159519864 6.941 > 25 68 Li 0.84358146134722 0.63086208052065 0.96201159519864 6.941 > 25 69 Li 0.99659199532007 0.38038751469691 0.37796322681843 6.941 > 29 70 Li 0.99659199532007 0.88038751469691 0.37796322681843 6.941 > 29 71 Li 0.99659199532007 0.38038751469691 0.87796322681843 6.941 > 29 72 Li 0.99659199532007 0.88038751469691 0.87796322681843 6.941 > 29 73 Li 0.66985373164760 0.38916102043400 0.28268996904151 6.941 > 33 74 Li 0.66985373164760 0.88916102043400 0.28268996904151 6.941 > 33 75 Li 0.66985373164760 0.38916102043400 0.78268996904151 6.941 > 33 76 Li 0.66985373164760 0.88916102043400 0.78268996904151 6.941 > 33 77 Li 0.50599349614544 0.12291217787004 0.12502527916782 6.941 > 37 78 Li 0.50599349614544 0.62291217787004 0.12502527916782 6.941 > 37 79 Li 0.50599349614544 0.12291217787004 0.62502527916782 6.941 > 37 80 Li 0.50599349614544 0.62291217787004 0.62502527916782 6.941 > 37 81 Ge 0.16879692383890 0.40494459318616 0.31487428646440 72.640 > 81 82 Ge 0.16879692383890 0.90494459318616 0.31487428646440 72.640 > 81 83 Ge 0.16879692383890 0.40494459318616 0.81487428646440 72.640 > 81 84 Ge 0.16879692383890 0.90494459318616 0.81487428646440 72.640 > 81 85 Ge 0.16879692383890 0.09505540681384 0.06487428646440 72.640 > 85 86 Ge 0.16879692383890 0.59505540681384 0.06487428646440 72.640 > 85 87 Ge 0.16879692383890 0.09505540681384 0.56487428646440 72.640 > 85 88 Ge 0.16879692383890 0.59505540681384 0.56487428646440 72.640 > 85 89 Ge 0.66879692383890 0.15494459318616 0.31487428646440 72.640 > 81 90 Ge 0.66879692383890 0.65494459318616 0.31487428646440 72.640 > 81 91 Ge 0.66879692383890 0.15494459318616 0.81487428646440 72.640 > 81 92 Ge 0.66879692383890 0.65494459318616 0.81487428646440 72.640 > 81 93 Ge 0.66879692383890 0.34505540681384 0.06487428646440 72.640 > 85 94 Ge 0.66879692383890 0.84505540681384 0.06487428646440 72.640 > 85 95 Ge 0.66879692383890 0.34505540681384 0.56487428646440 72.640 > 85 96 Ge 0.66879692383890 0.84505540681384 0.56487428646440 72.640 > 85 97 P 0.00843004490591 0.00481362641527 0.00276232844635 30.974 > 97 98 P 0.00843004490591 0.50481362641527 0.00276232844635 30.974 > 97 99 P 0.00843004490591 0.00481362641527 0.50276232844635 30.974 > 97 100 P 0.00843004490591 0.50481362641527 0.50276232844635 30.974 > 97 101 P 0.32977750092423 0.49398817287356 0.32997794395735 30.974 > 101 102 P 0.32977750092423 0.99398817287356 0.32997794395735 30.974 > 101 103 P 0.32977750092423 0.49398817287356 0.82997794395735 30.974 > 101 104 P 0.32977750092423 0.99398817287356 0.82997794395735 30.974 > 101 105 P 0.00843004490591 0.49518637358473 0.25276232844635 30.974 > 105 106 P 0.00843004490591 0.99518637358473 0.25276232844635 30.974 > 105 107 P 0.00843004490591 0.49518637358473 0.75276232844635 30.974 > 105 108 P 0.00843004490591 0.99518637358473 0.75276232844635 30.974 > 105 109 P 0.16820516922538 0.23866765115105 0.15221761932026 30.974 > 109 110 P 0.16820516922538 0.73866765115105 0.15221761932026 30.974 > 109 111 P 0.16820516922538 0.23866765115105 0.65221761932026 30.974 > 109 112 P 0.16820516922538 0.73866765115105 0.65221761932026 30.974 > 109 113 P 0.32977750092423 0.00601182712644 0.07997794395735 30.974 > 113 114 P 0.32977750092423 0.50601182712644 0.07997794395735 30.974 > 113 115 P 0.32977750092423 0.00601182712644 0.57997794395735 30.974 > 113 116 P 0.32977750092423 0.50601182712644 0.57997794395735 30.974 > 113 117 P 0.16820516922538 0.26133234884895 0.40221761932026 30.974 > 117 118 P 0.16820516922538 0.76133234884895 0.40221761932026 30.974 > 117 119 P 0.16820516922538 0.26133234884895 0.90221761932026 30.974 > 117 120 P 0.16820516922538 0.76133234884895 0.90221761932026 30.974 > 117 121 P 0.50843004490591 0.25481362641527 0.00276232844635 30.974 > 97 122 P 0.50843004490591 0.75481362641527 0.00276232844635 30.974 > 97 123 P 0.50843004490591 0.25481362641527 0.50276232844635 30.974 > 97 124 P 0.50843004490591 0.75481362641527 0.50276232844635 30.974 > 97 125 P 0.82977750092423 0.24398817287356 0.32997794395735 30.974 > 101 126 P 0.82977750092423 0.74398817287356 0.32997794395735 30.974 > 101 127 P 0.82977750092423 0.24398817287356 0.82997794395735 30.974 > 101 128 P 0.82977750092423 0.74398817287356 0.82997794395735 30.974 > 101 129 P 0.50843004490591 0.24518637358473 0.25276232844635 30.974 > 105 130 P 0.50843004490591 0.74518637358473 0.25276232844635 30.974 > 105 131 P 0.50843004490591 0.24518637358473 0.75276232844635 30.974 > 105 132 P 0.50843004490591 0.74518637358473 0.75276232844635 30.974 > 105 133 P 0.66820516922538 0.48866765115105 0.15221761932026 30.974 > 109 134 P 0.66820516922538 0.98866765115105 0.15221761932026 30.974 > 109 135 P 0.66820516922538 0.48866765115105 0.65221761932026 30.974 > 109 136 P 0.66820516922538 0.98866765115105 0.65221761932026 30.974 > 109 137 P 0.82977750092423 0.25601182712644 0.07997794395735 30.974 > 113 138 P 0.82977750092423 0.75601182712644 0.07997794395735 30.974 > 113 139 P 0.82977750092423 0.25601182712644 0.57997794395735 30.974 > 113 140 P 0.82977750092423 0.75601182712644 0.57997794395735 30.974 > 113 141 P 0.66820516922538 0.01133234884895 0.40221761932026 30.974 > 117 142 P 0.66820516922538 0.51133234884895 0.40221761932026 30.974 > 117 143 P 0.66820516922538 0.01133234884895 0.90221761932026 30.974 > 117 144 P 0.66820516922538 0.51133234884895 0.90221761932026 30.974 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6875625 0.0000000 0.3866400 0.0000000 9.3298591 0.0000000 0.3863009 0.0000000 8.1220298 -------------------------- Born effective charges -------------------------- 1 Li 0.9107829 0.4019791 0.0122143 0.0244749 0.5754905 -0.2394323 0.2178603 0.0129651 0.9831085 2 Li 1.0395243 0.5435005 0.0874160 0.0628461 1.1477267 0.3921135 0.3239645 0.1292514 1.0736567 3 Li 0.9164247 -0.3939096 -0.0480517 0.0941852 0.8910192 0.4428397 -0.2138230 -0.2092959 0.8484421 4 Li 1.3192389 -0.5529201 0.0853851 -0.3450671 0.8845412 -0.3651956 -0.1469056 -0.2390376 0.8247739 5 Li 1.0395243 -0.5435005 0.0874160 -0.0628461 1.1477267 -0.3921135 0.3239645 -0.1292514 1.0736567 6 Li 0.5256331 -0.0398477 -0.1247102 0.0581609 1.0012179 -0.1719506 -0.1309886 0.2927698 0.8546788 7 Li 0.9107829 -0.4019791 0.0122143 -0.0244749 0.5754905 0.2394323 0.2178603 -0.0129651 0.9831085 8 Li 1.3192389 0.5529201 0.0853851 0.3450671 0.8845412 0.3651956 -0.1469056 0.2390376 0.8247739 9 Li 0.5256331 0.0398477 -0.1247102 -0.0581609 1.0012179 0.1719506 -0.1309886 -0.2927698 0.8546788 10 Li 0.9164247 0.3939096 -0.0480517 -0.0941852 0.8910192 -0.4428397 -0.2138230 0.2092959 0.8484421 11 Ge 2.8892740 0.5266856 0.6129421 0.2749708 2.3201643 -1.0160402 0.6086471 -1.1680250 1.4700790 12 Ge 2.8892740 -0.5266856 0.6129421 -0.2749708 2.3201643 1.0160402 0.6086471 1.1680250 1.4700790 13 P -2.6724976 -0.3668603 -0.4562080 -0.5631563 -2.0934552 -0.5072953 -0.5406817 -0.7197760 -2.0694208 14 P -3.0029068 -0.6704037 -0.2576195 -0.6901434 -2.1665966 -0.3214771 -0.1724054 0.2547975 -1.7604418 15 P -2.6724976 0.3668603 -0.4562080 0.5631563 -2.0934552 0.5072953 -0.5406817 0.7197760 -2.0694208 16 P -1.9254735 0.2126500 0.0886319 0.2736209 -2.5601079 -0.4884578 0.0543324 -0.7685423 -2.2248765 17 P -3.0029068 0.6704037 -0.2576195 0.6901434 -2.1665966 0.3214771 -0.1724054 -0.2547975 -1.7604418 18 P -1.9254735 -0.2126500 0.0886319 -0.2736209 -2.5601079 0.4884578 0.0543324 0.7685423 -2.2248765 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 9 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: 0.62, Number of G-points: 305, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.936 ( -0.000 0.000 0.000) 0.000 4.169 ( -0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.741 ( -0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 5.048 ( -0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.799 ( -0.000 0.000 0.000) 0.000 6.009 ( -0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.592 ( -0.000 0.000 0.000) 0.000 6.668 ( -0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.671 ( -0.000 0.000 0.000) 0.000 7.736 ( -0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 9.318 ( -0.000 0.000 0.000) 0.000 9.681 ( -0.000 0.000 0.000) 0.000 10.019 ( -0.000 0.000 0.000) 0.000 10.059 ( -0.000 0.000 0.000) 0.000 10.073 ( -0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.398 ( -0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 0.000) 0.000 10.993 ( -0.000 0.000 0.000) 0.000 11.056 ( -0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.586 ( -0.000 0.000 0.000) 0.000 11.603 ( -0.000 0.000 0.000) 0.000 11.844 ( -0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.375 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 13.025 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 12.213 -30.609 1.097) 32.973 0.725 ( 13.766 -29.846 3.277) 33.031 1.183 ( 29.152 -44.079 11.327) 54.047 2.375 ( -0.335 -1.958 -0.332) 2.014 2.512 ( 1.811 -2.449 0.143) 3.049 3.187 ( -2.236 0.997 -4.436) 5.067 3.886 ( -5.852 2.410 -0.857) 6.387 4.137 ( 1.800 4.038 -0.996) 4.532 4.396 ( -5.875 4.487 -1.203) 7.490 4.689 ( -0.004 7.629 3.109) 8.239 4.785 ( 1.831 7.040 0.839) 7.322 4.906 ( 0.276 9.692 1.274) 9.779 5.303 ( -4.652 -1.593 1.415) 5.117 5.501 ( 0.272 7.793 -1.589) 7.958 5.579 ( 0.202 -1.971 1.131) 2.281 5.936 ( 1.489 -7.406 -0.977) 7.617 6.094 ( 0.907 -7.585 -1.545) 7.794 6.372 ( 1.351 -3.330 -0.238) 3.601 6.637 ( -1.459 -3.074 -0.138) 3.405 6.776 ( 2.966 -2.774 4.070) 5.749 7.309 ( 1.426 -1.239 -0.262) 1.907 7.655 ( -1.356 0.033 1.109) 1.752 7.833 ( -0.898 -9.219 0.367) 9.270 8.134 ( -2.890 -5.613 -1.039) 6.399 8.290 ( -0.454 -2.334 -0.624) 2.459 8.495 ( -2.239 -4.414 0.054) 4.950 8.549 ( 1.422 -5.140 -0.813) 5.395 8.829 ( 1.868 -2.704 4.293) 5.407 8.940 ( -4.151 -2.869 1.111) 5.167 9.278 ( -1.749 3.107 1.573) 3.897 9.357 ( 3.167 -0.008 -8.743) 9.299 9.646 ( -6.378 0.802 1.642) 6.635 10.008 ( -0.937 0.109 -3.702) 3.821 10.030 ( -2.367 0.759 0.634) 2.565 10.154 ( 0.571 -5.137 2.517) 5.749 10.242 ( 0.164 0.267 -1.273) 1.311 10.447 ( -0.401 -1.204 -2.665) 2.952 10.513 ( 0.918 -1.216 2.552) 2.972 10.810 ( -0.939 -0.287 -1.529) 1.817 10.907 ( 4.132 0.712 -1.312) 4.393 10.986 ( 1.129 2.477 2.367) 3.607 11.211 ( -2.668 -0.561 3.845) 4.714 11.294 ( 2.478 3.822 -3.480) 5.732 11.429 ( 0.069 6.960 -0.875) 7.015 11.623 ( -1.444 -3.616 1.298) 4.104 11.795 ( 1.100 5.623 -0.045) 5.729 12.014 ( -0.118 3.985 -0.974) 4.104 12.044 ( 2.254 1.340 0.774) 2.735 12.175 ( -0.114 2.067 0.728) 2.194 12.378 ( 4.169 1.773 0.779) 4.597 12.586 ( 1.579 1.359 -2.563) 3.303 12.718 ( 3.051 1.741 -0.704) 3.583 12.742 ( 6.621 5.824 8.544) 12.278 12.994 ( -0.120 4.676 -2.357) 5.238 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 11.348 -25.118 2.144) 27.645 1.395 ( 10.359 -28.949 1.168) 30.768 2.128 ( 17.962 -25.050 6.025) 31.407 2.466 ( 2.025 -9.159 4.328) 10.331 2.608 ( 6.291 -5.424 -1.984) 8.540 3.123 ( -1.594 1.664 -7.007) 7.376 3.747 ( -8.727 4.642 -3.631) 10.531 4.039 ( 1.327 7.912 -1.631) 8.187 4.202 ( -8.770 8.215 -0.716) 12.038 4.515 ( 3.021 9.414 1.572) 10.011 4.622 ( -2.229 8.846 2.825) 9.550 4.822 ( 3.716 2.381 2.249) 4.953 5.196 ( -1.336 9.530 4.204) 10.501 5.436 ( -5.773 -2.564 -1.687) 6.538 5.626 ( 1.003 -1.840 2.717) 3.432 6.063 ( 2.847 -4.242 -0.334) 5.120 6.236 ( -1.804 -6.866 -3.119) 7.754 6.420 ( 0.604 -0.473 -2.892) 2.992 6.717 ( -1.897 -7.486 -1.286) 7.828 6.902 ( 3.603 -5.699 2.814) 7.306 7.359 ( 3.177 -1.982 -0.427) 3.769 7.667 ( -3.452 -2.960 1.359) 4.746 8.056 ( -1.319 -14.104 0.791) 14.187 8.249 ( 0.636 -7.957 -0.825) 8.025 8.371 ( -2.213 -8.063 -0.040) 8.361 8.582 ( -1.703 -6.689 -2.480) 7.335 8.677 ( -0.761 -7.371 0.239) 7.414 8.871 ( -3.540 -0.422 5.273) 6.365 8.999 ( 1.124 -3.174 1.216) 3.580 9.230 ( 3.842 0.865 0.012) 3.938 9.379 ( 1.282 -2.557 -4.998) 5.758 9.574 ( -6.559 0.517 1.746) 6.807 9.970 ( -1.585 4.028 2.215) 4.862 10.001 ( -4.652 -2.616 -4.780) 7.165 10.196 ( 1.831 0.848 0.941) 2.227 10.305 ( 3.096 -2.453 -1.555) 4.245 10.446 ( -1.215 -1.174 2.532) 3.044 10.544 ( -3.309 -0.824 3.460) 4.859 10.805 ( 1.905 0.622 -3.449) 3.989 10.872 ( 2.260 6.186 1.336) 6.720 10.983 ( -0.210 -1.244 -0.913) 1.557 11.171 ( 3.095 8.226 1.665) 8.946 11.223 ( 0.473 4.338 -2.730) 5.147 11.297 ( 1.295 2.505 0.711) 2.908 11.630 ( -1.301 8.057 -2.097) 8.427 11.709 ( 2.228 0.054 2.591) 3.417 11.868 ( 0.496 9.230 1.394) 9.348 12.079 ( 2.442 -0.330 0.573) 2.530 12.123 ( -2.176 1.755 -1.252) 3.063 12.385 ( 4.342 1.608 1.781) 4.961 12.545 ( -0.782 3.818 -1.885) 4.330 12.648 ( -0.739 3.108 -1.595) 3.571 12.746 ( 2.597 2.617 2.193) 4.290 12.899 ( 3.341 4.393 -1.837) 5.817 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 8.036 -17.129 1.656) 18.993 1.986 ( 6.735 -25.035 0.422) 25.928 2.407 ( -0.542 -6.144 2.899) 6.815 2.650 ( 2.719 -3.674 -0.904) 4.659 2.861 ( 4.832 -4.667 -1.504) 6.884 3.112 ( 8.305 -1.570 -4.516) 9.583 3.558 ( -7.896 5.067 -4.766) 10.523 3.824 ( -3.469 11.121 0.801) 11.677 4.039 ( -1.264 4.385 1.420) 4.780 4.427 ( 3.248 4.216 -3.149) 6.184 4.480 ( 0.880 5.741 5.314) 7.872 4.865 ( -2.626 -2.076 1.209) 3.559 5.049 ( 3.931 3.168 5.172) 7.228 5.424 ( -4.960 -1.037 -0.439) 5.086 5.685 ( -0.163 -2.607 3.483) 4.354 6.133 ( 2.703 -0.260 -0.254) 2.727 6.258 ( -3.875 0.146 -3.233) 5.049 6.421 ( -1.231 -1.409 -3.277) 3.773 6.846 ( 0.190 -6.281 -1.342) 6.426 7.039 ( 2.107 -4.777 1.413) 5.409 7.436 ( 4.933 -2.443 0.606) 5.538 7.702 ( -5.870 -4.218 0.648) 7.257 8.265 ( -1.837 -8.334 0.266) 8.538 8.456 ( 0.857 -11.634 0.756) 11.690 8.522 ( -2.297 -5.910 0.079) 6.341 8.663 ( -2.200 -5.889 -0.988) 6.364 8.817 ( -1.109 -8.691 -0.241) 8.765 8.918 ( 2.710 -5.687 0.893) 6.362 9.021 ( -1.183 -1.248 1.121) 2.053 9.326 ( 2.664 -4.232 -0.041) 5.001 9.429 ( 4.092 -1.470 -3.587) 5.637 9.575 ( -2.593 -5.065 2.766) 6.327 9.851 ( -4.746 5.730 3.213) 8.105 9.989 ( -3.518 -0.276 -3.908) 5.266 10.201 ( -0.213 0.384 1.997) 2.045 10.302 ( 4.363 4.001 -4.082) 7.190 10.468 ( -2.306 0.934 6.356) 6.826 10.528 ( -1.871 1.842 1.543) 3.045 10.688 ( -2.366 5.880 -0.758) 6.384 10.825 ( -0.239 2.076 -0.383) 2.125 10.972 ( 2.051 5.210 -0.812) 5.658 11.046 ( 3.518 1.774 -1.711) 4.295 11.177 ( 3.432 2.492 0.171) 4.245 11.321 ( -1.179 1.305 1.470) 2.292 11.420 ( 2.858 9.244 -3.695) 10.357 11.647 ( -0.729 7.185 1.099) 7.305 11.794 ( 1.275 0.148 2.341) 2.670 12.034 ( -2.989 2.209 -2.964) 4.754 12.114 ( 1.535 0.684 -0.674) 1.811 12.403 ( 3.188 3.940 1.843) 5.393 12.423 ( -1.196 3.067 1.290) 3.536 12.606 ( -0.008 1.059 -1.969) 2.236 12.692 ( -0.412 2.900 -2.223) 3.677 12.893 ( 3.987 0.567 0.881) 4.122 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 3.035 -6.344 0.658) 7.063 2.432 ( 2.433 -15.702 1.708) 15.981 2.508 ( -0.623 -4.364 1.225) 4.575 2.690 ( 1.771 -0.045 -1.573) 2.369 2.799 ( -1.403 7.658 -2.574) 8.200 3.138 ( 0.555 2.584 -3.620) 4.482 3.482 ( 0.574 -0.546 -0.132) 0.803 3.667 ( -0.213 3.418 1.133) 3.607 3.963 ( -0.834 3.234 1.094) 3.514 4.378 ( 0.433 0.878 -2.478) 2.665 4.444 ( 2.218 2.095 2.833) 4.163 4.783 ( -2.812 2.948 0.053) 4.074 5.238 ( 3.528 -10.048 3.700) 11.274 5.387 ( -0.519 2.416 -0.428) 2.508 5.717 ( -1.738 -0.541 1.393) 2.292 6.114 ( 0.759 2.309 -0.879) 2.584 6.217 ( -1.577 0.286 -1.276) 2.049 6.420 ( -1.080 -0.441 -1.145) 1.635 6.928 ( 0.456 -2.189 -0.541) 2.301 7.113 ( 0.414 -1.668 0.213) 1.731 7.526 ( 4.075 -1.608 0.954) 4.483 7.714 ( -4.698 -1.831 -0.195) 5.046 8.362 ( -0.659 -3.018 0.253) 3.100 8.496 ( -2.221 1.151 -0.145) 2.505 8.641 ( -0.196 -5.768 0.950) 5.849 8.766 ( 0.784 -0.783 -0.475) 1.206 8.953 ( 0.590 -5.568 -1.512) 5.800 9.027 ( 1.783 -4.791 1.645) 5.370 9.167 ( 0.554 -8.226 -1.607) 8.400 9.323 ( -4.072 2.367 -0.460) 4.732 9.527 ( 8.295 -3.606 1.219) 9.126 9.671 ( -0.796 -2.612 1.030) 2.918 9.747 ( -3.056 2.377 2.299) 4.503 9.931 ( -2.158 0.206 -2.279) 3.146 10.146 ( -2.021 6.944 -0.820) 7.279 10.234 ( -1.014 0.611 -1.093) 1.611 10.341 ( -0.236 7.011 1.600) 7.195 10.544 ( 1.120 -5.553 2.641) 6.250 10.668 ( 1.377 3.299 0.351) 3.592 10.765 ( -1.586 0.304 -0.604) 1.724 10.905 ( 2.361 2.776 0.259) 3.653 11.068 ( -0.569 1.623 -1.918) 2.577 11.150 ( -1.233 0.673 1.171) 1.829 11.197 ( 0.371 1.641 -2.330) 2.874 11.347 ( 2.336 5.611 -0.199) 6.081 11.597 ( 1.663 -0.521 1.536) 2.323 11.805 ( -0.683 -0.243 0.480) 0.869 11.972 ( -1.716 0.918 -1.706) 2.588 12.103 ( 0.802 0.829 -0.952) 1.495 12.297 ( -0.892 3.264 0.121) 3.386 12.452 ( 1.583 -0.362 2.303) 2.818 12.587 ( 0.488 0.683 -0.758) 1.131 12.642 ( -0.705 0.961 -1.463) 1.887 12.919 ( 1.372 -0.160 0.403) 1.439 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 31.981 0.000 12.238) 34.242 0.662 ( 33.833 0.000 11.236) 35.650 1.144 ( 57.836 0.000 17.455) 60.413 2.362 ( 0.980 0.000 -2.579) 2.759 2.499 ( 1.902 0.000 1.756) 2.589 3.148 ( -3.323 -0.000 -7.974) 8.639 3.835 ( -10.376 -0.000 -0.908) 10.416 4.193 ( 2.394 0.000 -1.570) 2.863 4.366 ( -9.497 -0.000 -1.973) 9.700 4.790 ( 0.922 0.000 6.766) 6.829 4.888 ( 2.066 0.000 1.760) 2.714 5.024 ( -3.557 -0.000 2.517) 4.357 5.207 ( -6.310 -0.000 0.615) 6.340 5.485 ( -6.145 -0.000 -2.597) 6.671 5.707 ( 5.738 0.000 -1.524) 5.937 5.790 ( -1.705 -0.000 -2.449) 2.984 6.053 ( 4.701 0.000 -1.071) 4.821 6.337 ( 3.038 0.000 0.530) 3.084 6.667 ( 0.456 0.000 -1.061) 1.155 6.760 ( -3.559 -0.000 8.305) 9.036 7.310 ( 1.439 0.000 -0.432) 1.503 7.646 ( -3.911 -0.000 2.610) 4.702 7.728 ( -0.990 -0.000 0.360) 1.053 8.007 ( -2.865 -0.000 0.988) 3.030 8.331 ( -4.797 -0.000 -3.088) 5.705 8.361 ( 0.773 0.000 -1.025) 1.284 8.511 ( 2.010 0.000 -0.635) 2.108 8.812 ( -5.468 -0.000 1.078) 5.574 8.850 ( 3.398 0.000 8.017) 8.708 9.323 ( 0.724 0.000 -13.455) 13.475 9.335 ( 3.934 0.000 0.104) 3.935 9.578 ( -11.495 -0.000 3.448) 12.001 9.945 ( -3.698 -0.000 -8.023) 8.834 10.048 ( -2.762 -0.000 2.184) 3.522 10.100 ( 0.062 0.000 4.010) 4.010 10.237 ( 0.895 0.000 -0.381) 0.973 10.427 ( 3.012 0.000 0.060) 3.013 10.516 ( 2.290 0.000 -0.966) 2.485 10.821 ( 2.312 0.000 -2.035) 3.080 10.922 ( 3.788 0.000 -2.579) 4.582 11.084 ( 2.342 0.000 0.831) 2.485 11.113 ( -3.570 -0.000 4.562) 5.793 11.423 ( 0.166 0.000 -0.842) 0.858 11.467 ( 4.859 0.000 4.352) 6.523 11.545 ( -4.363 -0.000 0.250) 4.370 11.858 ( 1.624 0.000 -0.635) 1.743 12.042 ( 4.329 0.000 -1.673) 4.641 12.097 ( -1.153 -0.000 -0.340) 1.202 12.199 ( -2.186 -0.000 1.578) 2.696 12.423 ( 5.049 0.000 0.836) 5.117 12.649 ( 2.212 0.000 -3.632) 4.252 12.747 ( 1.807 0.000 -1.932) 2.646 13.019 ( 1.053 0.000 -4.146) 4.277 13.056 ( -2.089 -0.000 7.941) 8.211 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 25.371 -15.118 8.632) 30.770 1.142 ( 26.630 -15.253 6.518) 31.373 1.930 ( 40.471 -21.752 13.342) 47.844 2.380 ( 2.150 -2.707 -0.486) 3.490 2.560 ( 2.783 -3.803 0.325) 4.724 3.102 ( -0.386 -0.059 -9.141) 9.150 3.708 ( -12.428 2.187 -2.970) 12.963 4.167 ( 2.122 4.288 -1.683) 5.072 4.225 ( -11.736 4.292 -2.146) 12.679 4.724 ( 0.057 7.856 6.567) 10.239 4.787 ( -2.280 10.476 0.838) 10.754 4.944 ( 1.774 4.866 2.849) 5.911 5.212 ( -6.879 -4.361 5.001) 9.558 5.397 ( -8.536 3.726 -5.623) 10.880 5.638 ( 3.352 1.719 3.190) 4.936 5.957 ( 1.842 -10.100 -4.276) 11.121 6.116 ( 3.290 -2.808 -2.459) 4.975 6.412 ( 3.547 -2.341 -0.801) 4.325 6.617 ( -0.462 0.205 0.104) 0.516 6.830 ( 1.099 -5.180 1.963) 5.647 7.347 ( 3.404 -2.126 -1.411) 4.254 7.612 ( -5.070 -0.166 2.762) 5.776 7.812 ( -1.725 -9.299 0.888) 9.500 8.075 ( -2.816 -7.953 0.289) 8.442 8.269 ( -1.134 -1.469 -1.940) 2.685 8.439 ( -2.392 -5.615 -3.117) 6.853 8.564 ( -0.268 -4.079 0.008) 4.088 8.819 ( -6.174 -3.141 2.739) 7.449 8.940 ( 2.596 -4.199 6.546) 8.198 9.261 ( -1.533 1.116 -4.818) 5.178 9.355 ( 0.357 1.146 -2.149) 2.462 9.515 ( -6.665 -1.551 2.309) 7.222 9.883 ( -5.746 -0.450 -7.596) 9.534 10.010 ( -3.646 0.726 1.909) 4.179 10.167 ( -0.919 -4.047 1.993) 4.604 10.270 ( 2.733 -2.114 1.615) 3.814 10.467 ( 3.565 0.081 -1.540) 3.884 10.534 ( 0.560 -0.086 2.557) 2.620 10.810 ( 1.688 1.122 -2.849) 3.497 10.961 ( 2.488 -0.727 -0.249) 2.604 11.015 ( 0.376 5.333 0.888) 5.419 11.161 ( -2.252 -2.387 -0.373) 3.303 11.369 ( 3.540 5.042 0.326) 6.169 11.429 ( 0.268 5.575 1.114) 5.691 11.601 ( -1.520 -4.281 3.247) 5.584 11.829 ( 2.401 4.526 -0.961) 5.213 12.000 ( -3.214 5.236 0.527) 6.167 12.097 ( 2.402 -0.653 -0.273) 2.504 12.168 ( 2.094 3.464 0.954) 4.158 12.471 ( 6.186 1.063 1.275) 6.405 12.610 ( 2.477 4.184 -2.581) 5.505 12.720 ( 0.177 3.607 -2.153) 4.205 12.916 ( 4.193 10.347 3.632) 11.740 12.992 ( 3.732 2.814 -3.496) 5.836 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 17.339 -17.558 5.720) 25.330 1.666 ( 18.316 -17.779 2.349) 25.634 2.334 ( 3.864 -3.550 2.122) 5.660 2.576 ( 2.951 -6.131 1.837) 7.048 2.777 ( 12.246 -10.347 -0.462) 16.039 3.131 ( 9.133 -2.806 -4.964) 10.767 3.532 ( -11.719 3.228 -5.062) 13.168 3.985 ( -8.253 9.025 -0.158) 12.231 4.101 ( 0.162 3.773 -1.302) 3.994 4.551 ( -1.344 10.250 -1.385) 10.430 4.638 ( 2.616 4.864 7.881) 9.624 4.867 ( -0.330 3.986 1.494) 4.270 5.173 ( -4.804 6.872 0.303) 8.390 5.308 ( -5.940 -6.099 2.739) 8.944 5.679 ( 2.337 -0.673 4.389) 5.018 6.126 ( 2.853 -6.216 -1.749) 7.059 6.177 ( -0.708 -2.529 -3.934) 4.731 6.406 ( 0.558 2.425 -4.040) 4.745 6.716 ( 2.137 -7.760 0.150) 8.050 6.956 ( 1.500 -5.857 0.336) 6.055 7.429 ( 4.424 -2.741 -0.134) 5.206 7.595 ( -5.373 -2.381 1.798) 6.146 8.024 ( -2.330 -13.419 0.534) 13.630 8.240 ( -1.218 -10.949 0.366) 11.022 8.364 ( 1.039 -8.642 0.061) 8.705 8.516 ( -3.307 -5.832 -4.874) 8.289 8.644 ( -3.855 -6.657 1.740) 7.887 8.852 ( 0.035 -3.536 2.276) 4.205 9.032 ( -0.134 -0.880 3.849) 3.950 9.256 ( -1.646 -3.075 -1.988) 4.014 9.342 ( -3.672 -4.242 -1.865) 5.913 9.529 ( 2.306 -1.221 1.710) 3.120 9.820 ( -8.474 -0.807 -3.299) 9.130 9.965 ( -3.467 1.197 0.317) 3.681 10.199 ( -2.083 -0.318 0.468) 2.158 10.374 ( 4.729 -3.502 -1.004) 5.970 10.473 ( 2.641 0.742 1.544) 3.148 10.529 ( -1.319 2.226 6.321) 6.830 10.784 ( -1.777 2.544 -3.256) 4.498 10.891 ( 0.107 6.832 -1.225) 6.942 10.983 ( 1.006 -0.108 0.255) 1.043 11.151 ( -1.340 1.247 -2.483) 3.084 11.260 ( 0.279 6.484 0.493) 6.509 11.392 ( 5.140 3.217 2.973) 6.753 11.602 ( 0.290 4.554 -0.531) 4.594 11.744 ( 1.314 5.306 0.152) 5.469 11.874 ( -1.197 5.025 0.752) 5.220 12.066 ( -0.203 4.157 -1.779) 4.526 12.154 ( 3.338 1.227 0.889) 3.666 12.473 ( 2.119 4.260 1.742) 5.066 12.532 ( 0.948 4.501 -1.664) 4.891 12.646 ( 2.760 2.994 -1.037) 4.202 12.786 ( 2.669 7.079 -1.943) 7.811 12.972 ( 5.054 2.928 -0.236) 5.845 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.812 -9.868 2.190) 14.801 2.145 ( 10.489 -18.369 1.990) 21.246 2.430 ( 1.410 -4.286 2.592) 5.203 2.670 ( 0.709 -3.344 -1.451) 3.713 2.886 ( 2.772 1.889 -3.870) 5.121 3.173 ( -2.310 3.498 -7.167) 8.303 3.437 ( -3.772 -1.642 -1.265) 4.304 3.780 ( -2.202 7.488 2.640) 8.240 4.034 ( -0.515 4.213 0.293) 4.255 4.376 ( -3.246 4.837 -2.282) 6.256 4.605 ( 5.702 6.243 4.597) 9.624 4.784 ( -6.073 2.927 -0.444) 6.756 5.138 ( 3.616 -5.954 2.349) 7.351 5.400 ( 1.355 -3.673 5.390) 6.662 5.713 ( 1.406 0.150 3.543) 3.815 6.151 ( -2.071 2.377 -4.243) 5.286 6.219 ( 2.755 -0.870 0.653) 2.962 6.377 ( -0.689 -1.557 -4.370) 4.690 6.871 ( 2.766 -5.227 0.145) 5.915 7.061 ( 0.359 -4.224 -0.357) 4.254 7.497 ( -2.309 -2.355 1.277) 3.537 7.644 ( 2.606 -4.294 0.282) 5.031 8.229 ( -1.941 -9.492 0.398) 9.697 8.445 ( -2.621 -7.712 0.703) 8.176 8.497 ( 0.167 -5.609 -2.426) 6.113 8.638 ( -0.937 -11.898 0.576) 11.949 8.794 ( -1.180 -10.063 -0.627) 10.151 8.962 ( 0.636 -4.265 -0.751) 4.377 9.043 ( 3.460 -2.786 2.691) 5.194 9.266 ( -5.922 -2.668 -1.289) 6.622 9.466 ( -1.606 -8.101 -1.804) 8.453 9.622 ( 5.567 -4.548 2.335) 7.559 9.737 ( -9.342 1.006 4.456) 10.399 9.905 ( -2.842 1.857 -2.949) 4.497 10.158 ( -3.864 1.529 -0.816) 4.235 10.378 ( 4.063 6.813 -3.245) 8.570 10.458 ( -0.778 4.849 4.976) 6.991 10.554 ( 1.834 -1.695 2.315) 3.405 10.628 ( -4.088 3.873 1.119) 5.742 10.811 ( 0.066 2.934 -1.575) 3.331 10.977 ( -0.456 1.456 -0.894) 1.768 11.097 ( 1.579 3.076 -1.974) 3.982 11.174 ( -1.482 3.145 -0.196) 3.482 11.292 ( -0.563 8.396 -1.479) 8.544 11.507 ( 0.792 6.757 0.043) 6.804 11.680 ( 6.458 3.695 2.765) 7.937 11.813 ( 0.961 1.497 -1.152) 2.119 11.990 ( 0.011 2.697 0.522) 2.747 12.146 ( 2.391 2.010 -1.670) 3.542 12.349 ( -4.279 5.355 -0.926) 6.917 12.491 ( 1.347 2.318 1.987) 3.337 12.634 ( 3.724 2.399 -0.549) 4.464 12.687 ( 1.864 4.225 -1.662) 4.908 12.960 ( 3.441 2.264 -0.046) 4.120 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 3.606 0.142 0.330) 3.624 2.494 ( 1.985 -7.423 3.235) 8.337 2.557 ( 6.489 -6.952 0.193) 9.512 2.708 ( 1.409 -0.999 -1.663) 2.398 2.769 ( -0.704 10.155 -1.591) 10.303 3.087 ( -3.328 -1.157 -2.693) 4.435 3.431 ( -5.455 -2.090 -1.647) 6.070 3.675 ( -0.851 3.495 2.677) 4.484 3.945 ( -0.968 2.001 -0.502) 2.278 4.292 ( -5.397 -0.127 -3.511) 6.440 4.525 ( 1.840 5.856 3.177) 6.911 4.721 ( -2.697 -1.837 -1.730) 3.694 5.323 ( 4.238 -5.953 3.001) 7.900 5.444 ( 4.573 7.166 3.178) 9.075 5.729 ( 1.620 -0.449 0.434) 1.736 6.076 ( -1.486 0.503 -1.947) 2.500 6.238 ( 2.022 0.111 1.093) 2.301 6.414 ( 1.370 -2.145 -1.711) 3.067 6.946 ( 1.286 -0.871 0.588) 1.661 7.116 ( 0.119 -1.237 -0.130) 1.249 7.488 ( -5.850 -0.639 -0.242) 5.890 7.769 ( 7.904 -2.435 0.588) 8.292 8.348 ( -0.818 -3.929 0.158) 4.017 8.468 ( -0.220 -2.401 -1.914) 3.078 8.656 ( 1.021 -5.376 1.106) 5.583 8.770 ( -0.381 -0.565 0.747) 1.011 8.908 ( -2.841 -4.128 -2.626) 5.657 9.077 ( 2.130 -7.440 -0.003) 7.739 9.166 ( -1.672 -2.043 1.118) 2.867 9.284 ( 0.452 -3.644 -0.326) 3.686 9.528 ( -7.724 -1.602 -0.999) 7.951 9.676 ( -2.535 -0.306 1.481) 2.952 9.743 ( 3.719 1.764 4.642) 6.204 9.896 ( -0.731 -6.393 -0.810) 6.486 10.089 ( -2.950 1.618 -1.758) 3.796 10.205 ( -0.875 4.785 -0.061) 4.865 10.390 ( 4.168 5.321 -1.219) 6.868 10.536 ( -3.236 -1.990 1.377) 4.040 10.670 ( -1.049 -0.287 0.385) 1.154 10.732 ( -1.480 3.053 -1.661) 3.778 10.914 ( -2.331 2.368 -0.778) 3.412 11.040 ( 0.530 0.577 -0.290) 0.835 11.132 ( -0.250 -0.138 -0.760) 0.812 11.207 ( 1.899 1.699 -0.733) 2.651 11.360 ( -2.102 6.102 1.056) 6.540 11.663 ( 3.225 4.602 0.427) 5.636 11.828 ( 4.474 0.130 -0.205) 4.480 11.982 ( 1.860 -0.073 2.670) 3.254 12.119 ( 1.283 1.876 -0.785) 2.404 12.249 ( -3.464 0.356 -1.007) 3.625 12.456 ( -1.323 1.665 -0.645) 2.222 12.598 ( 0.539 1.795 -0.773) 2.027 12.667 ( 3.006 1.281 1.778) 3.720 12.939 ( 1.133 2.179 -0.841) 2.596 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -1.065 11.576 -0.433) 11.633 2.401 ( -0.543 20.396 -0.559) 20.411 2.541 ( 3.925 6.457 -2.076) 7.837 2.660 ( -2.735 -0.175 1.624) 3.186 2.844 ( 1.513 -5.552 1.147) 5.868 3.070 ( -7.790 -0.017 2.306) 8.124 3.484 ( 2.048 -8.144 0.532) 8.414 3.684 ( 0.963 -4.479 1.638) 4.865 3.962 ( 0.570 -3.208 -1.759) 3.703 4.269 ( -6.623 -4.490 -3.288) 8.651 4.466 ( 0.558 1.768 1.811) 2.592 4.795 ( -0.293 -7.451 -1.768) 7.663 5.188 ( -0.448 18.257 -1.178) 18.301 5.452 ( 5.274 -2.628 1.925) 6.199 5.722 ( -1.671 1.506 -2.597) 3.436 6.113 ( 1.657 -1.837 1.175) 2.739 6.274 ( 2.403 -1.537 1.652) 3.296 6.452 ( 1.676 -0.365 0.322) 1.745 6.942 ( 1.212 2.504 1.514) 3.167 7.094 ( -1.417 3.159 -1.034) 3.613 7.432 ( -4.108 1.347 -0.565) 4.360 7.830 ( 6.028 3.015 0.175) 6.743 8.356 ( -1.018 1.709 -0.490) 2.049 8.560 ( 5.475 -3.565 -1.199) 6.643 8.648 ( 1.088 6.525 -0.934) 6.681 8.747 ( -1.909 2.054 0.630) 2.874 8.922 ( -1.136 0.145 0.834) 1.417 9.012 ( -0.565 8.407 -0.069) 8.427 9.162 ( -1.963 6.236 1.181) 6.643 9.334 ( -9.061 6.513 -0.976) 11.202 9.426 ( 5.003 -3.823 0.724) 6.338 9.677 ( 0.338 1.858 -1.398) 2.350 9.742 ( -2.579 -2.981 0.412) 3.963 9.980 ( 1.508 -2.343 2.135) 3.510 10.149 ( -0.542 -5.498 -1.012) 5.617 10.268 ( 2.026 -3.405 2.804) 4.854 10.359 ( 1.305 -6.083 -4.245) 7.532 10.501 ( -0.421 3.227 -1.160) 3.455 10.624 ( -3.094 -3.944 -1.174) 5.148 10.769 ( -1.430 -3.964 -0.307) 4.225 10.873 ( -0.717 0.079 -0.732) 1.028 11.060 ( -2.198 0.978 2.048) 3.159 11.120 ( -1.600 0.938 -1.773) 2.566 11.222 ( 1.238 -4.440 1.389) 4.814 11.349 ( 0.938 -4.618 2.352) 5.266 11.592 ( 0.934 3.190 -0.887) 3.440 11.829 ( 2.842 3.562 -1.054) 4.677 12.018 ( 0.163 -2.043 3.307) 3.890 12.108 ( 0.419 0.050 0.011) 0.422 12.278 ( -1.263 -4.986 -0.740) 5.196 12.414 ( -0.566 0.822 -1.927) 2.171 12.595 ( 0.707 -0.948 0.371) 1.240 12.681 ( 1.379 -0.081 2.414) 2.781 12.889 ( -1.188 2.652 -1.350) 3.204 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -2.681 21.954 -0.599) 22.125 1.910 ( -2.156 28.828 0.287) 28.910 2.395 ( -0.594 11.908 -1.741) 12.050 2.609 ( -0.793 4.337 -1.212) 4.572 2.716 ( -7.320 13.035 0.531) 14.959 3.099 ( 0.828 -3.887 3.377) 5.215 3.696 ( 4.024 -7.728 2.269) 9.004 3.859 ( 0.413 -11.034 0.559) 11.056 4.074 ( 2.816 -8.869 -0.274) 9.309 4.327 ( -3.885 -7.201 -2.384) 8.522 4.498 ( 0.726 -4.447 0.755) 4.569 4.859 ( -1.161 9.943 -1.619) 10.141 4.982 ( -0.816 -10.026 -2.004) 10.257 5.524 ( 4.715 0.700 1.666) 5.050 5.648 ( -2.429 2.557 -2.616) 4.391 6.116 ( 0.027 2.452 0.419) 2.487 6.329 ( 2.126 -0.152 1.196) 2.444 6.447 ( 0.149 1.712 1.389) 2.210 6.884 ( 3.025 6.235 2.515) 7.372 6.971 ( -3.800 6.072 -2.883) 7.721 7.375 ( -1.780 1.876 0.032) 2.586 7.776 ( 2.458 5.609 -0.253) 6.129 8.277 ( 0.039 6.409 -0.249) 6.414 8.426 ( -1.425 13.355 0.006) 13.431 8.563 ( 1.944 8.610 -0.952) 8.878 8.719 ( 2.520 3.851 0.386) 4.618 8.836 ( 0.969 7.998 0.122) 8.058 8.895 ( 0.632 1.616 0.004) 1.735 9.043 ( 1.827 3.032 -1.156) 3.724 9.183 ( -8.941 1.846 1.078) 9.193 9.446 ( 1.186 3.537 0.858) 3.828 9.616 ( 2.329 1.900 -0.849) 3.124 9.861 ( -1.111 -5.918 -0.160) 6.023 10.035 ( -0.035 -4.753 1.206) 4.903 10.190 ( 1.564 3.066 -1.848) 3.907 10.271 ( -2.244 -2.572 1.645) 3.789 10.479 ( 2.076 -0.888 -2.239) 3.179 10.583 ( 3.906 -3.226 -1.389) 5.253 10.693 ( -2.445 -6.417 1.026) 6.944 10.810 ( -0.984 -1.090 -0.427) 1.529 10.943 ( -0.693 -9.591 -0.092) 9.617 11.003 ( -3.044 0.576 1.370) 3.387 11.102 ( -1.695 -1.994 -0.693) 2.707 11.341 ( 1.018 -1.678 0.895) 2.157 11.455 ( 1.648 -6.204 1.805) 6.668 11.646 ( -0.193 -8.980 -0.421) 8.992 11.757 ( -0.803 3.269 -1.914) 3.872 12.070 ( -0.297 -1.121 1.911) 2.235 12.110 ( 0.149 -0.867 -0.433) 0.980 12.338 ( -1.187 -1.254 -1.157) 2.078 12.451 ( 0.930 -5.601 0.128) 5.679 12.635 ( 1.434 -1.297 1.101) 2.225 12.715 ( 0.654 -1.668 1.023) 2.063 12.822 ( -2.807 0.962 -0.961) 3.119 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 29.036 0.000) 29.036 1.311 ( 0.000 32.926 0.000) 32.926 1.899 ( 0.000 38.715 0.000) 38.715 2.451 ( 0.000 6.561 0.000) 6.561 2.558 ( 0.000 3.438 0.000) 3.438 3.171 ( -0.000 -2.422 -0.000) 2.422 3.840 ( -0.000 -5.278 -0.000) 5.278 4.027 ( -0.000 -6.883 -0.000) 6.883 4.297 ( -0.000 -9.404 -0.000) 9.404 4.485 ( -0.000 -12.024 -0.000) 12.024 4.634 ( -0.000 -8.144 -0.000) 8.144 4.763 ( -0.000 -1.928 -0.000) 1.928 5.194 ( -0.000 -11.555 -0.000) 11.555 5.491 ( 0.000 4.166 0.000) 4.166 5.609 ( 0.000 0.724 0.000) 0.724 6.042 ( 0.000 4.962 0.000) 4.962 6.262 ( 0.000 7.853 0.000) 7.853 6.421 ( 0.000 1.979 0.000) 1.979 6.770 ( 0.000 7.681 0.000) 7.681 6.828 ( 0.000 5.371 0.000) 5.371 7.332 ( 0.000 1.762 0.000) 1.762 7.693 ( 0.000 3.600 0.000) 3.600 8.062 ( 0.000 14.160 0.000) 14.160 8.242 ( 0.000 5.772 0.000) 5.772 8.404 ( 0.000 7.890 0.000) 7.890 8.602 ( 0.000 6.612 0.000) 6.612 8.679 ( 0.000 8.482 0.000) 8.482 8.886 ( 0.000 3.398 0.000) 3.398 8.989 ( 0.000 2.466 0.000) 2.466 9.185 ( -0.000 -5.159 -0.000) 5.159 9.386 ( 0.000 2.541 0.000) 2.541 9.641 ( -0.000 -1.912 -0.000) 1.912 9.931 ( -0.000 -4.043 -0.000) 4.043 10.095 ( 0.000 2.305 0.000) 2.305 10.174 ( -0.000 -2.982 -0.000) 2.982 10.277 ( 0.000 2.687 0.000) 2.687 10.457 ( 0.000 1.491 0.000) 1.491 10.575 ( 0.000 4.106 0.000) 4.106 10.782 ( -0.000 -4.059 -0.000) 4.059 10.836 ( -0.000 -2.961 -0.000) 2.961 10.985 ( 0.000 0.972 0.000) 0.972 11.122 ( -0.000 -6.101 -0.000) 6.101 11.228 ( -0.000 -11.987 -0.000) 11.987 11.321 ( 0.000 1.943 0.000) 1.943 11.629 ( -0.000 -8.017 -0.000) 8.017 11.684 ( 0.000 0.770 0.000) 0.770 11.860 ( -0.000 -10.420 -0.000) 10.420 12.053 ( 0.000 1.533 0.000) 1.533 12.149 ( -0.000 -1.832 -0.000) 1.832 12.336 ( -0.000 -0.251 -0.000) 0.251 12.573 ( -0.000 -4.983 -0.000) 4.983 12.662 ( -0.000 -0.323 -0.000) 0.323 12.694 ( 0.000 1.511 0.000) 1.511 12.881 ( -0.000 -6.676 -0.000) 6.676 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 29.596 0.000 11.531) 31.763 1.293 ( 31.590 0.000 10.191) 33.194 2.152 ( 42.403 0.000 13.539) 44.512 2.385 ( 7.844 0.000 -3.213) 8.477 2.527 ( -0.829 -0.000 1.720) 1.910 3.083 ( 3.777 0.000 -8.562) 9.358 3.603 ( -14.266 -0.000 -2.761) 14.531 4.146 ( -14.068 -0.000 -3.478) 14.491 4.219 ( 1.472 0.000 -1.390) 2.025 4.808 ( -3.867 -0.000 7.288) 8.251 4.920 ( -1.467 -0.000 2.476) 2.878 4.993 ( -0.604 -0.000 4.006) 4.051 5.109 ( -5.607 -0.000 3.159) 6.436 5.317 ( -9.789 -0.000 -4.396) 10.731 5.730 ( -3.163 -0.000 -3.366) 4.619 5.797 ( 5.630 0.000 -3.007) 6.382 6.126 ( 4.515 0.000 -3.103) 5.479 6.418 ( 5.491 0.000 1.101) 5.600 6.681 ( 2.222 0.000 -1.018) 2.444 6.745 ( -1.665 -0.000 2.002) 2.604 7.340 ( 2.612 0.000 -2.125) 3.367 7.567 ( -7.437 -0.000 3.849) 8.373 7.718 ( 0.017 0.000 0.281) 0.282 7.972 ( -1.726 -0.000 1.482) 2.276 8.238 ( -3.122 -0.000 -3.560) 4.735 8.349 ( -0.797 -0.000 -2.489) 2.614 8.509 ( -3.853 -0.000 0.128) 3.855 8.752 ( 0.162 0.000 0.604) 0.626 8.928 ( -1.551 -0.000 7.159) 7.325 9.200 ( -8.593 -0.000 -4.235) 9.580 9.423 ( -5.605 -0.000 1.026) 5.698 9.429 ( 5.849 0.000 1.714) 6.095 9.820 ( -4.167 -0.000 -9.375) 10.259 9.978 ( -5.722 -0.000 0.179) 5.725 10.126 ( 0.230 0.000 3.897) 3.904 10.279 ( 2.543 0.000 3.160) 4.056 10.482 ( 2.900 0.000 -0.699) 2.983 10.559 ( 2.254 0.000 1.949) 2.980 10.847 ( 3.240 0.000 -5.014) 5.970 10.970 ( 1.772 0.000 0.910) 1.992 11.088 ( -0.479 -0.000 -0.551) 0.730 11.107 ( -0.846 -0.000 0.603) 1.039 11.395 ( -5.506 -0.000 -2.348) 5.986 11.517 ( 3.215 0.000 4.689) 5.685 11.562 ( 2.217 0.000 5.221) 5.672 11.878 ( 1.382 0.000 -1.766) 2.242 11.999 ( -7.893 -0.000 0.773) 7.931 12.121 ( 4.014 0.000 0.787) 4.091 12.240 ( 4.361 0.000 -0.313) 4.372 12.540 ( 6.973 0.000 1.466) 7.126 12.679 ( 3.433 0.000 -2.384) 4.179 12.748 ( 0.027 0.000 -3.494) 3.494 13.026 ( 3.203 0.000 -5.429) 6.303 13.084 ( 1.755 0.000 2.723) 3.239 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 25.214 -6.919 11.229) 28.456 1.651 ( 27.277 -6.804 5.513) 28.648 2.343 ( 3.839 -0.545 -0.338) 3.892 2.517 ( 0.916 -1.941 1.538) 2.640 2.738 ( 23.622 -8.452 3.790) 25.373 3.141 ( 9.385 -2.783 -4.765) 10.887 3.458 ( -12.297 1.541 -3.553) 12.893 3.984 ( -13.257 2.110 -2.732) 13.699 4.188 ( 1.221 3.686 -1.445) 4.143 4.721 ( -4.297 6.810 4.482) 9.216 4.785 ( 0.972 8.837 4.251) 9.854 4.963 ( -1.432 4.684 0.981) 4.996 5.133 ( -7.047 -4.709 3.372) 9.122 5.219 ( -5.474 1.373 -1.890) 5.951 5.690 ( -0.096 -1.127 2.363) 2.620 5.940 ( 0.583 -9.078 -6.277) 11.052 6.164 ( 3.334 -1.345 -2.900) 4.619 6.479 ( 4.410 1.715 -0.799) 4.799 6.634 ( 2.306 -0.925 0.951) 2.660 6.849 ( 0.864 -6.379 -0.597) 6.465 7.400 ( 3.025 -3.649 -1.477) 4.965 7.517 ( -7.265 -1.092 2.898) 7.898 7.799 ( 0.162 -8.012 0.305) 8.019 8.045 ( -1.363 -7.784 1.171) 7.989 8.241 ( -0.663 -4.202 -1.472) 4.501 8.379 ( -1.886 -4.206 -4.416) 6.383 8.503 ( -6.618 -4.119 1.675) 7.973 8.797 ( 2.391 -2.716 0.603) 3.668 8.959 ( -6.439 -4.530 4.298) 8.970 9.139 ( -7.388 -2.678 -1.538) 8.008 9.341 ( 0.011 3.814 1.180) 3.992 9.527 ( 4.233 -2.593 1.530) 5.195 9.748 ( -4.269 0.729 -7.672) 8.810 9.930 ( -5.685 -0.336 0.096) 5.696 10.163 ( -0.820 -1.835 2.018) 2.848 10.335 ( 2.060 -2.534 4.732) 5.749 10.510 ( 1.816 -0.527 -0.490) 1.954 10.578 ( 2.346 0.988 2.724) 3.729 10.827 ( 2.943 2.996 -4.714) 6.314 10.972 ( -1.054 1.920 -0.828) 2.341 11.028 ( 1.181 3.072 0.679) 3.361 11.130 ( -1.078 -1.198 -1.042) 1.919 11.309 ( -7.079 2.216 -0.208) 7.420 11.523 ( 4.813 3.942 3.713) 7.245 11.617 ( 0.587 -1.053 2.997) 3.231 11.856 ( 1.684 3.164 -1.161) 3.767 11.913 ( -4.922 2.318 0.822) 5.503 12.142 ( 2.599 1.357 -0.316) 2.949 12.233 ( 3.150 3.657 -0.312) 4.836 12.587 ( 5.080 1.895 2.041) 5.793 12.624 ( 0.788 6.883 -4.059) 8.029 12.725 ( 3.088 1.792 -1.772) 3.986 12.965 ( 3.286 7.611 -2.613) 8.692 13.074 ( 5.122 2.894 0.311) 5.892 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 17.339 -8.673 7.946) 20.953 2.013 ( 19.583 -8.901 1.479) 21.562 2.395 ( 2.938 -2.020 1.629) 3.920 2.579 ( -1.061 -5.118 0.041) 5.227 2.918 ( 5.355 -0.169 -3.512) 6.406 3.175 ( -6.352 2.608 -7.587) 10.233 3.378 ( -2.816 -0.491 -0.585) 2.918 3.869 ( -4.089 3.140 1.497) 5.368 4.120 ( 1.934 4.232 -0.613) 4.693 4.504 ( -2.756 10.709 0.554) 11.072 4.746 ( 2.081 3.262 4.384) 5.848 4.835 ( -1.854 5.532 0.576) 5.862 5.077 ( -1.338 -1.197 -1.734) 2.496 5.300 ( -0.453 -7.620 6.361) 9.936 5.738 ( 1.193 -1.535 3.421) 3.935 6.075 ( -2.182 -6.783 -4.555) 8.456 6.221 ( 3.476 -2.318 -1.336) 4.386 6.405 ( 1.802 5.783 -3.106) 6.807 6.782 ( 4.575 -7.566 1.436) 8.958 6.963 ( -0.038 -5.508 -1.384) 5.679 7.429 ( -5.673 -1.134 1.195) 5.907 7.580 ( 3.815 -6.125 0.006) 7.216 7.999 ( -0.548 -12.285 0.152) 12.299 8.229 ( -0.513 -11.514 1.716) 11.652 8.374 ( -0.826 -8.909 -1.711) 9.109 8.430 ( -2.039 -5.724 -2.756) 6.672 8.580 ( -3.986 -8.943 0.893) 9.832 8.890 ( 0.703 -4.271 -0.465) 4.353 8.994 ( -5.981 -5.244 4.378) 9.080 9.164 ( -3.734 -3.488 -3.659) 6.285 9.311 ( -0.359 -1.925 2.175) 2.927 9.606 ( 3.353 -1.729 0.047) 3.773 9.684 ( -4.277 -0.018 -1.937) 4.695 9.896 ( -4.074 -0.464 0.141) 4.103 10.156 ( -2.587 1.358 0.037) 2.922 10.423 ( 0.331 -2.554 3.261) 4.155 10.531 ( 2.567 -0.042 1.721) 3.091 10.566 ( 1.044 2.507 2.635) 3.784 10.740 ( 0.140 7.372 -2.430) 7.764 10.883 ( 0.721 4.464 -3.429) 5.676 11.006 ( 0.054 1.885 1.986) 2.739 11.124 ( -0.195 0.631 -2.781) 2.858 11.214 ( -4.964 1.954 1.419) 5.520 11.448 ( 0.947 7.540 0.363) 7.608 11.586 ( -3.126 3.854 -0.901) 5.043 11.821 ( 5.734 3.143 3.579) 7.454 11.851 ( -0.115 2.004 -1.000) 2.242 12.098 ( 3.688 5.697 -0.002) 6.786 12.192 ( 1.127 1.827 -1.111) 2.417 12.444 ( -2.831 8.382 -2.731) 9.259 12.567 ( 2.081 3.992 0.831) 4.578 12.719 ( 4.234 2.651 -0.314) 5.006 12.833 ( 3.929 8.209 -1.431) 9.213 13.053 ( 4.233 3.668 -0.004) 5.602 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 8.306 -2.642 1.219) 8.801 2.345 ( 8.749 -10.829 4.001) 14.486 2.485 ( 4.227 -4.751 0.405) 6.372 2.681 ( 1.302 -4.091 0.602) 4.335 2.904 ( 0.162 2.518 -3.653) 4.439 3.035 ( -5.744 1.948 -5.366) 8.098 3.343 ( -5.838 -0.488 -1.251) 5.990 3.759 ( -2.150 5.284 2.027) 6.054 4.019 ( -0.542 6.543 -1.019) 6.644 4.311 ( -3.233 6.876 -0.567) 7.619 4.651 ( -2.347 4.840 -0.540) 5.407 4.722 ( -0.259 5.458 1.070) 5.568 5.237 ( 6.422 -8.407 3.012) 11.000 5.472 ( 0.271 -7.564 4.468) 8.789 5.782 ( 4.501 1.202 2.257) 5.177 6.103 ( -0.021 1.557 -2.026) 2.555 6.258 ( 0.381 1.363 -0.453) 1.486 6.361 ( 1.489 -2.859 -2.907) 4.341 6.926 ( 2.707 -3.024 0.923) 4.162 7.059 ( 0.096 -5.071 -0.569) 5.103 7.411 ( -5.259 -1.946 0.159) 5.610 7.749 ( 6.014 -6.351 0.382) 8.755 8.215 ( 0.001 -9.732 0.654) 9.754 8.390 ( -2.594 -4.467 -1.359) 5.341 8.500 ( 0.755 -10.199 -0.964) 10.272 8.635 ( 0.541 -11.617 1.303) 11.702 8.774 ( -0.426 -12.414 -1.058) 12.467 8.921 ( -5.643 -3.923 0.441) 6.886 9.121 ( -1.124 -2.580 -1.137) 3.036 9.165 ( 0.935 -6.195 0.134) 6.267 9.387 ( -5.293 -4.097 -0.446) 6.708 9.644 ( -2.277 -4.260 2.592) 5.482 9.710 ( 1.364 -3.433 1.350) 3.933 9.870 ( -0.246 1.340 -0.442) 1.432 10.092 ( -2.736 2.471 -0.800) 3.772 10.359 ( -2.653 7.920 -0.436) 8.364 10.523 ( 4.188 5.966 -0.730) 7.326 10.573 ( -1.758 5.318 2.784) 6.254 10.593 ( -0.115 -2.429 2.176) 3.263 10.820 ( 2.400 3.216 -3.155) 5.105 10.935 ( -4.898 4.186 1.329) 6.578 11.082 ( 0.495 2.755 -2.367) 3.666 11.164 ( -0.348 1.296 0.789) 1.557 11.301 ( 2.132 7.120 -1.795) 7.646 11.446 ( -4.817 6.008 -0.630) 7.726 11.784 ( 1.787 4.270 -0.350) 4.642 11.867 ( 4.104 0.219 2.146) 4.636 12.047 ( 5.152 3.164 3.024) 6.760 12.167 ( 1.739 1.799 -3.247) 4.099 12.271 ( -3.963 5.685 -0.667) 6.962 12.494 ( -0.984 3.915 0.152) 4.039 12.665 ( 1.136 4.804 -1.253) 5.093 12.749 ( 3.511 3.974 0.953) 5.388 13.011 ( 2.418 3.797 -0.412) 4.521 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 1.638 4.394 0.112) 4.690 2.536 ( 1.212 -5.041 1.123) 5.305 2.665 ( 1.874 -1.865 0.720) 2.740 2.720 ( 1.697 -3.943 -1.739) 4.632 2.788 ( 5.046 11.516 0.979) 12.611 2.983 ( -7.152 -2.167 -1.866) 7.702 3.336 ( -2.881 -5.487 -0.952) 6.270 3.681 ( -0.075 2.153 2.160) 3.051 3.934 ( 0.064 0.785 -0.816) 1.134 4.188 ( -3.618 2.161 -1.487) 4.469 4.535 ( -0.844 5.115 0.119) 5.185 4.687 ( -0.625 -2.227 -0.320) 2.335 5.422 ( 4.124 -4.172 0.815) 5.923 5.537 ( 3.308 7.609 5.752) 10.096 5.695 ( -3.899 4.248 -4.924) 7.583 6.110 ( 3.706 -1.413 1.848) 4.376 6.254 ( -0.399 -1.476 -0.462) 1.597 6.435 ( 1.285 -2.872 -0.766) 3.239 6.967 ( 0.578 -0.459 0.436) 0.857 7.120 ( 0.251 -0.336 0.065) 0.425 7.407 ( -2.537 -0.948 -0.348) 2.731 7.886 ( 3.888 -2.349 0.322) 4.554 8.334 ( -0.728 -2.751 -0.074) 2.846 8.481 ( 2.345 -7.181 -1.284) 7.663 8.663 ( -1.497 -5.719 1.050) 6.004 8.773 ( 0.797 1.005 -0.132) 1.289 8.872 ( 0.516 -3.862 -0.778) 3.973 9.079 ( -3.555 -6.321 1.706) 7.450 9.119 ( -0.677 -2.731 -2.407) 3.703 9.297 ( -1.375 -3.970 1.968) 4.639 9.409 ( -1.889 -6.451 -1.847) 6.971 9.642 ( -1.636 5.824 1.260) 6.179 9.830 ( 2.538 3.264 2.713) 4.945 9.883 ( -0.612 -8.806 -0.606) 8.848 10.036 ( -1.633 -3.471 -1.445) 4.099 10.213 ( 0.787 3.171 0.894) 3.387 10.437 ( 1.922 6.730 -1.581) 7.175 10.479 ( -2.623 1.044 -0.104) 2.825 10.655 ( -0.758 -2.421 0.390) 2.567 10.692 ( -1.522 7.259 -0.621) 7.443 10.865 ( -1.549 -0.119 -0.463) 1.621 11.069 ( 1.451 -0.442 0.037) 1.517 11.131 ( 0.224 2.436 -0.141) 2.450 11.247 ( 2.918 1.192 -0.111) 3.154 11.307 ( -3.715 3.134 0.111) 4.861 11.696 ( 1.031 5.906 -0.355) 6.006 11.917 ( 3.105 -1.392 1.768) 3.835 12.027 ( 1.196 4.813 0.943) 5.048 12.118 ( -0.641 1.873 -1.408) 2.429 12.210 ( -0.114 -1.523 0.142) 1.534 12.426 ( -1.127 1.761 -0.485) 2.146 12.601 ( 0.290 1.769 -0.471) 1.854 12.718 ( 1.222 2.061 1.098) 2.636 12.949 ( 0.571 3.900 -0.632) 3.992 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 13.448 0.000) 13.448 2.397 ( 0.000 22.091 0.000) 22.091 2.583 ( 0.000 8.526 0.000) 8.526 2.633 ( -0.000 -0.072 -0.000) 0.072 2.843 ( 0.000 1.368 0.000) 1.368 3.007 ( -0.000 -5.648 -0.000) 5.648 3.516 ( -0.000 -12.648 -0.000) 12.648 3.699 ( -0.000 -4.225 -0.000) 4.225 3.968 ( -0.000 -3.719 -0.000) 3.719 4.186 ( -0.000 -4.258 -0.000) 4.258 4.471 ( 0.000 1.008 0.000) 1.008 4.783 ( -0.000 -7.879 -0.000) 7.879 5.186 ( 0.000 20.945 0.000) 20.945 5.539 ( -0.000 -1.965 -0.000) 1.965 5.660 ( 0.000 0.353 0.000) 0.353 6.146 ( 0.000 0.249 0.000) 0.249 6.300 ( -0.000 -3.000 -0.000) 3.000 6.469 ( -0.000 -0.182 -0.000) 0.182 6.967 ( 0.000 1.185 0.000) 1.185 7.069 ( 0.000 5.329 0.000) 5.329 7.395 ( 0.000 0.957 0.000) 0.957 7.886 ( 0.000 3.832 0.000) 3.832 8.341 ( 0.000 1.314 0.000) 1.314 8.623 ( -0.000 -0.518 -0.000) 0.518 8.658 ( 0.000 5.001 0.000) 5.001 8.721 ( -0.000 -1.236 -0.000) 1.236 8.951 ( 0.000 0.680 0.000) 0.680 8.990 ( 0.000 6.812 0.000) 6.812 9.112 ( 0.000 2.594 0.000) 2.594 9.249 ( 0.000 10.666 0.000) 10.666 9.497 ( 0.000 0.011 0.000) 0.011 9.658 ( -0.000 -12.808 -0.000) 12.808 9.716 ( 0.000 7.096 0.000) 7.096 10.000 ( -0.000 -0.969 -0.000) 0.969 10.142 ( -0.000 -5.523 -0.000) 5.523 10.314 ( 0.000 4.626 0.000) 4.626 10.329 ( -0.000 -12.593 -0.000) 12.593 10.523 ( -0.000 -5.279 -0.000) 5.279 10.569 ( 0.000 0.342 0.000) 0.342 10.747 ( -0.000 -4.675 -0.000) 4.675 10.864 ( -0.000 -0.452 -0.000) 0.452 11.045 ( 0.000 3.583 0.000) 3.583 11.105 ( 0.000 1.518 0.000) 1.518 11.238 ( -0.000 -3.384 -0.000) 3.384 11.367 ( -0.000 -7.468 -0.000) 7.468 11.599 ( 0.000 3.901 0.000) 3.901 11.864 ( 0.000 7.475 0.000) 7.475 12.022 ( -0.000 -3.599 -0.000) 3.599 12.101 ( -0.000 -0.040 -0.000) 0.040 12.272 ( -0.000 -4.300 -0.000) 4.300 12.406 ( -0.000 -0.066 -0.000) 0.066 12.606 ( -0.000 -1.895 -0.000) 1.895 12.699 ( 0.000 0.383 0.000) 0.383 12.873 ( 0.000 4.090 0.000) 4.090 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 25.244 0.000 10.447) 27.321 1.858 ( 26.407 0.000 8.535) 27.752 2.352 ( 2.189 0.000 -3.184) 3.864 2.502 ( -1.107 -0.000 -0.162) 1.119 2.906 ( 19.461 0.000 4.663) 20.012 3.176 ( 8.931 0.000 -3.362) 9.543 3.386 ( -3.255 -0.000 -0.421) 3.282 3.848 ( -16.390 -0.000 -5.529) 17.297 4.227 ( 0.284 0.000 -0.773) 0.824 4.762 ( -4.964 -0.000 5.332) 7.285 4.884 ( -3.561 -0.000 3.664) 5.110 5.026 ( 1.011 0.000 0.053) 1.012 5.052 ( -3.815 -0.000 4.123) 5.617 5.151 ( -5.207 -0.000 -1.298) 5.366 5.642 ( -4.487 -0.000 -3.421) 5.642 5.855 ( 3.187 0.000 -3.087) 4.437 6.161 ( 1.961 0.000 -3.701) 4.188 6.515 ( 4.276 0.000 0.785) 4.348 6.726 ( -1.265 -0.000 -0.081) 1.268 6.743 ( 5.507 0.000 -0.310) 5.516 7.369 ( 1.878 0.000 -1.452) 2.374 7.444 ( -8.702 -0.000 3.064) 9.225 7.741 ( 2.497 0.000 -0.382) 2.526 7.962 ( -0.636 -0.000 1.128) 1.295 8.190 ( -0.339 -0.000 -2.324) 2.349 8.316 ( -0.761 -0.000 -2.891) 2.989 8.405 ( -6.954 -0.000 1.678) 7.153 8.810 ( 4.688 0.000 -0.154) 4.690 8.836 ( -10.769 -0.000 1.770) 10.913 9.047 ( -7.270 -0.000 1.147) 7.360 9.402 ( 1.205 0.000 1.591) 1.996 9.540 ( 5.163 0.000 2.472) 5.724 9.706 ( -2.859 -0.000 -7.433) 7.963 9.873 ( -5.490 -0.000 -1.324) 5.648 10.150 ( 0.114 0.000 2.694) 2.696 10.339 ( 1.037 0.000 4.609) 4.724 10.514 ( 1.769 0.000 -0.875) 1.974 10.621 ( 3.074 0.000 3.609) 4.740 10.873 ( 4.013 0.000 -8.050) 8.995 10.977 ( -1.723 -0.000 0.969) 1.977 11.075 ( -3.062 -0.000 1.498) 3.408 11.091 ( 1.341 0.000 -1.377) 1.922 11.263 ( -7.206 -0.000 0.242) 7.210 11.608 ( 0.565 0.000 3.059) 3.111 11.627 ( 3.173 0.000 3.764) 4.923 11.885 ( 0.690 0.000 -1.857) 1.981 11.907 ( -1.852 -0.000 2.598) 3.190 12.163 ( 0.498 0.000 0.351) 0.609 12.287 ( 1.118 0.000 -2.730) 2.950 12.660 ( 5.132 0.000 2.354) 5.646 12.725 ( 0.601 0.000 -3.506) 3.557 12.732 ( 3.975 0.000 -2.462) 4.676 13.058 ( 3.292 0.000 -3.823) 5.045 13.147 ( 3.753 0.000 1.393) 4.003 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 19.548 -3.006 9.936) 22.133 2.106 ( 19.574 -2.157 3.319) 19.970 2.392 ( 3.691 -2.777 -0.961) 4.718 2.507 ( 0.908 -0.933 0.910) 1.588 2.948 ( -2.941 0.831 -3.374) 4.552 3.158 ( -3.828 5.760 -4.343) 8.166 3.389 ( 2.043 2.639 -0.401) 3.362 3.815 ( -2.829 -6.590 0.214) 7.175 4.198 ( 0.821 2.535 -0.390) 2.693 4.678 ( -2.658 7.523 2.249) 8.290 4.828 ( 0.271 2.861 4.196) 5.085 4.912 ( -3.654 6.300 -1.402) 7.417 5.047 ( -0.484 -1.637 0.447) 1.765 5.204 ( 0.285 -3.829 2.824) 4.766 5.653 ( -4.142 -5.702 -0.245) 7.052 5.925 ( 1.116 -5.431 -3.455) 6.532 6.187 ( 1.350 -2.389 -2.321) 3.594 6.533 ( 2.019 4.160 -0.841) 4.699 6.700 ( 3.391 -3.653 1.455) 5.193 6.866 ( 2.151 -4.805 -1.130) 5.384 7.365 ( -6.398 -0.270 1.173) 6.510 7.471 ( 1.027 -7.012 -0.132) 7.088 7.820 ( 1.845 -6.345 -0.546) 6.630 8.039 ( -0.388 -7.975 1.488) 8.122 8.225 ( -0.038 -4.385 -1.929) 4.791 8.334 ( -0.404 -3.041 -2.350) 3.865 8.408 ( -4.772 -5.318 1.460) 7.293 8.780 ( -9.364 -3.214 0.747) 9.928 8.883 ( 2.830 -3.689 0.828) 4.723 9.033 ( -4.946 -4.080 -0.214) 6.415 9.378 ( 2.338 3.824 1.910) 4.872 9.609 ( 3.091 -1.343 1.297) 3.611 9.654 ( -2.093 0.606 -4.170) 4.705 9.836 ( -4.219 -1.104 -1.096) 4.497 10.160 ( -0.615 0.200 1.151) 1.320 10.382 ( 0.054 -2.648 4.375) 5.114 10.532 ( 1.094 -0.629 -0.024) 1.262 10.639 ( 2.895 2.261 2.253) 4.309 10.855 ( 3.580 3.194 -5.129) 7.023 10.934 ( -1.659 2.311 -2.577) 3.839 11.042 ( -1.694 1.099 2.936) 3.563 11.108 ( -0.640 -0.737 -1.001) 1.398 11.197 ( -4.702 1.266 0.853) 4.944 11.574 ( 0.150 4.594 1.670) 4.890 11.624 ( -1.485 2.426 0.116) 2.846 11.869 ( -0.797 1.445 0.375) 1.692 11.918 ( 4.731 0.774 2.894) 5.600 12.164 ( 0.244 0.188 -0.146) 0.341 12.251 ( -0.168 2.623 -2.624) 3.714 12.591 ( -0.223 9.339 -2.900) 9.781 12.679 ( 3.455 3.859 1.069) 5.289 12.782 ( 3.107 0.160 -0.869) 3.230 13.007 ( 2.657 6.435 -1.729) 7.173 13.154 ( 3.588 2.799 0.427) 4.571 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 9.086 -0.960 2.329) 9.429 2.288 ( 6.990 -4.941 2.950) 9.054 2.480 ( 6.376 -1.104 -1.233) 6.587 2.600 ( 3.366 -5.805 5.718) 8.816 2.864 ( -6.818 1.674 -7.419) 10.214 2.996 ( -7.423 0.030 -2.314) 7.775 3.339 ( -0.324 2.986 -0.738) 3.093 3.834 ( -1.372 3.381 0.690) 3.714 4.144 ( 0.795 5.356 -0.218) 5.419 4.472 ( -1.205 11.110 0.434) 11.183 4.720 ( -2.047 6.295 -0.221) 6.623 4.838 ( -0.635 3.961 0.604) 4.057 5.153 ( 6.399 -7.071 2.898) 9.967 5.308 ( -2.024 -7.251 0.713) 7.562 5.762 ( 0.355 -6.765 1.372) 6.912 6.035 ( -0.345 -6.107 -1.817) 6.381 6.253 ( 1.121 -3.262 -0.592) 3.499 6.417 ( 0.806 7.475 -1.265) 7.624 6.872 ( 3.758 -7.797 1.817) 8.844 6.945 ( -0.911 -3.926 -1.561) 4.322 7.337 ( -3.818 -1.603 0.312) 4.152 7.640 ( 2.046 -8.538 -0.051) 8.780 8.004 ( 0.691 -11.634 -0.109) 11.655 8.239 ( -0.151 -10.490 2.444) 10.772 8.319 ( -1.446 -7.378 -3.108) 8.136 8.441 ( 2.508 -9.026 -0.074) 9.368 8.522 ( -2.982 -9.780 -0.180) 10.226 8.781 ( -6.867 -3.962 0.324) 7.934 9.021 ( 3.277 -7.310 2.040) 8.267 9.092 ( -2.937 -4.897 -2.297) 6.155 9.333 ( 0.882 2.058 1.069) 2.481 9.590 ( -1.274 0.642 -1.724) 2.238 9.685 ( 0.946 -1.987 1.647) 2.749 9.841 ( -1.808 -2.256 -0.525) 2.939 10.122 ( -1.082 2.728 0.036) 2.935 10.439 ( -0.311 -0.116 2.578) 2.599 10.544 ( -0.335 -0.191 -1.760) 1.802 10.606 ( 1.359 2.705 2.814) 4.133 10.760 ( 1.351 8.205 -0.254) 8.320 10.881 ( 2.423 2.451 -4.933) 6.017 10.984 ( -3.875 3.816 3.405) 6.416 11.111 ( 0.011 -0.149 -1.028) 1.039 11.162 ( -1.121 0.083 0.441) 1.208 11.456 ( 0.261 7.482 0.149) 7.488 11.523 ( -2.256 5.849 -1.219) 6.387 11.830 ( -0.675 1.780 0.294) 1.926 11.943 ( 3.630 2.183 1.637) 4.541 12.155 ( 0.902 1.644 1.589) 2.458 12.204 ( 2.176 1.875 -1.642) 3.309 12.377 ( -2.408 9.935 -2.204) 10.458 12.599 ( 0.913 6.549 0.382) 6.623 12.762 ( 1.183 3.734 -0.364) 3.934 12.885 ( 1.896 7.366 -0.177) 7.608 13.109 ( 1.847 4.313 0.022) 4.692 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 0.891 0.000) 0.891 2.425 ( -0.000 -6.416 -0.000) 6.416 2.559 ( -0.000 -5.038 -0.000) 5.038 2.714 ( -0.000 -2.159 -0.000) 2.159 2.847 ( -0.000 -4.908 -0.000) 4.908 2.975 ( 0.000 2.271 0.000) 2.271 3.278 ( 0.000 1.608 0.000) 1.608 3.745 ( 0.000 4.253 0.000) 4.253 4.011 ( 0.000 7.185 0.000) 7.185 4.276 ( 0.000 8.323 0.000) 8.323 4.619 ( 0.000 3.923 0.000) 3.923 4.724 ( 0.000 5.984 0.000) 5.984 5.340 ( -0.000 -6.912 -0.000) 6.912 5.451 ( -0.000 -9.128 -0.000) 9.128 5.843 ( 0.000 2.452 0.000) 2.452 6.113 ( -0.000 -1.696 -0.000) 1.696 6.246 ( 0.000 3.037 0.000) 3.037 6.371 ( -0.000 -3.396 -0.000) 3.396 6.955 ( -0.000 -1.092 -0.000) 1.092 7.061 ( -0.000 -6.278 -0.000) 6.278 7.360 ( -0.000 -2.266 -0.000) 2.266 7.806 ( -0.000 -7.363 -0.000) 7.363 8.223 ( -0.000 -9.492 -0.000) 9.492 8.361 ( -0.000 -5.179 -0.000) 5.179 8.500 ( -0.000 -10.244 -0.000) 10.244 8.671 ( -0.000 -10.163 -0.000) 10.163 8.771 ( -0.000 -17.690 -0.000) 17.690 8.823 ( -0.000 -5.087 -0.000) 5.087 9.079 ( 0.000 2.016 0.000) 2.016 9.219 ( -0.000 -9.500 -0.000) 9.500 9.326 ( 0.000 1.044 0.000) 1.044 9.644 ( -0.000 -8.152 -0.000) 8.152 9.716 ( -0.000 -0.723 -0.000) 0.723 9.869 ( -0.000 -1.039 -0.000) 1.039 10.066 ( 0.000 3.018 0.000) 3.018 10.329 ( 0.000 8.737 0.000) 8.737 10.546 ( 0.000 2.347 0.000) 2.347 10.581 ( 0.000 6.567 0.000) 6.567 10.603 ( 0.000 1.597 0.000) 1.597 10.854 ( 0.000 4.084 0.000) 4.084 10.861 ( 0.000 4.530 0.000) 4.530 11.088 ( 0.000 2.112 0.000) 2.112 11.163 ( -0.000 -0.208 -0.000) 0.208 11.324 ( 0.000 6.480 0.000) 6.480 11.387 ( 0.000 6.147 0.000) 6.147 11.795 ( 0.000 2.793 0.000) 2.793 11.906 ( 0.000 1.676 0.000) 1.676 12.134 ( 0.000 1.884 0.000) 1.884 12.174 ( 0.000 4.841 0.000) 4.841 12.216 ( 0.000 3.079 0.000) 3.079 12.481 ( 0.000 5.161 0.000) 5.161 12.672 ( 0.000 5.286 0.000) 5.286 12.783 ( 0.000 4.192 0.000) 4.192 13.032 ( 0.000 4.465 0.000) 4.465 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 15.027 0.000 7.618) 16.848 2.225 ( 8.872 0.000 3.269) 9.455 2.362 ( 0.881 0.000 -2.925) 3.054 2.547 ( 6.149 0.000 1.158) 6.257 2.861 ( -9.934 -0.000 -3.787) 10.631 3.248 ( -0.984 -0.000 -1.272) 1.608 3.551 ( 8.595 0.000 2.694) 9.007 3.596 ( -6.333 -0.000 -3.234) 7.111 4.226 ( 0.008 0.000 -0.086) 0.086 4.722 ( -1.887 -0.000 2.021) 2.765 4.853 ( -1.670 -0.000 1.697) 2.381 5.020 ( -1.842 -0.000 1.763) 2.550 5.021 ( 0.944 0.000 -2.641) 2.805 5.135 ( 0.098 0.000 2.613) 2.614 5.552 ( -3.019 -0.000 -1.904) 3.569 5.877 ( 0.988 0.000 -1.238) 1.584 6.160 ( 0.275 0.000 -1.729) 1.751 6.564 ( 1.231 0.000 0.176) 1.243 6.706 ( -0.627 -0.000 -0.262) 0.680 6.841 ( 4.350 0.000 0.050) 4.351 7.328 ( -4.969 -0.000 1.127) 5.095 7.385 ( 0.637 0.000 -0.343) 0.723 7.779 ( 1.600 0.000 -0.432) 1.658 7.959 ( -0.219 -0.000 0.286) 0.360 8.192 ( 1.181 0.000 -0.979) 1.534 8.297 ( 0.326 0.000 -1.691) 1.723 8.322 ( -3.393 -0.000 1.512) 3.715 8.678 ( -6.201 -0.000 0.694) 6.240 8.875 ( 2.283 0.000 -0.144) 2.288 8.956 ( -3.198 -0.000 0.251) 3.208 9.442 ( 1.250 0.000 1.605) 2.035 9.621 ( 2.292 0.000 1.580) 2.784 9.638 ( -1.170 -0.000 -3.228) 3.434 9.791 ( -2.535 -0.000 -1.179) 2.795 10.161 ( -0.032 -0.000 0.920) 0.921 10.361 ( -0.358 -0.000 1.842) 1.877 10.542 ( 1.247 0.000 0.296) 1.282 10.696 ( 2.654 0.000 2.290) 3.505 10.887 ( 2.637 0.000 -6.289) 6.820 10.935 ( -2.337 -0.000 -0.351) 2.364 11.025 ( -3.613 -0.000 2.913) 4.641 11.106 ( 0.734 0.000 -0.426) 0.848 11.186 ( -1.885 -0.000 0.368) 1.921 11.625 ( 0.081 0.000 0.959) 0.962 11.639 ( -1.205 -0.000 0.495) 1.302 11.883 ( 0.149 0.000 -0.825) 0.838 11.970 ( 3.663 0.000 3.981) 5.410 12.161 ( -0.341 -0.000 -0.030) 0.342 12.247 ( -2.132 -0.000 -3.504) 4.102 12.731 ( 1.064 0.000 -1.117) 1.542 12.731 ( 1.617 0.000 1.394) 2.135 12.774 ( 1.836 0.000 -1.355) 2.282 13.083 ( 1.271 0.000 -1.364) 1.864 13.207 ( 1.911 0.000 0.509) 1.978 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -0.000 -1.139 -0.000) 1.139 2.284 ( 0.000 0.309 0.000) 0.309 2.427 ( -0.000 -5.648 -0.000) 5.648 2.587 ( -0.000 -0.938 -0.000) 0.938 2.837 ( -0.000 -2.379 -0.000) 2.379 3.055 ( 0.000 13.796 0.000) 13.796 3.407 ( 0.000 4.298 0.000) 4.298 3.816 ( -0.000 -6.920 -0.000) 6.920 4.207 ( 0.000 1.597 0.000) 1.597 4.661 ( 0.000 7.493 0.000) 7.493 4.845 ( -0.000 -0.748 -0.000) 0.748 4.860 ( 0.000 8.908 0.000) 8.908 5.076 ( -0.000 -4.068 -0.000) 4.068 5.218 ( -0.000 -3.461 -0.000) 3.461 5.601 ( -0.000 -7.286 -0.000) 7.286 5.927 ( -0.000 -4.551 -0.000) 4.551 6.191 ( -0.000 -3.077 -0.000) 3.077 6.545 ( 0.000 4.482 0.000) 4.482 6.734 ( -0.000 -5.733 -0.000) 5.733 6.894 ( -0.000 -2.473 -0.000) 2.473 7.299 ( -0.000 -0.273 -0.000) 0.273 7.483 ( -0.000 -8.081 -0.000) 8.081 7.837 ( -0.000 -5.784 -0.000) 5.784 8.041 ( -0.000 -8.480 -0.000) 8.480 8.219 ( -0.000 -2.708 -0.000) 2.708 8.334 ( -0.000 -3.804 -0.000) 3.804 8.365 ( -0.000 -5.587 -0.000) 5.587 8.682 ( -0.000 -3.013 -0.000) 3.013 8.926 ( -0.000 -4.417 -0.000) 4.417 8.978 ( -0.000 -3.669 -0.000) 3.669 9.411 ( 0.000 3.702 0.000) 3.702 9.608 ( 0.000 1.611 0.000) 1.611 9.656 ( -0.000 -1.819 -0.000) 1.819 9.791 ( -0.000 -1.451 -0.000) 1.451 10.158 ( 0.000 0.970 0.000) 0.970 10.394 ( -0.000 -3.041 -0.000) 3.041 10.543 ( 0.000 0.288 0.000) 0.288 10.681 ( 0.000 2.999 0.000) 2.999 10.869 ( 0.000 3.293 0.000) 3.293 10.913 ( 0.000 0.396 0.000) 0.396 11.016 ( 0.000 0.546 0.000) 0.546 11.103 ( 0.000 0.210 0.000) 0.210 11.165 ( 0.000 0.925 0.000) 0.925 11.577 ( 0.000 4.843 0.000) 4.843 11.603 ( 0.000 3.351 0.000) 3.351 11.863 ( 0.000 1.772 0.000) 1.772 11.991 ( 0.000 0.635 0.000) 0.635 12.162 ( -0.000 -0.234 -0.000) 0.234 12.226 ( 0.000 0.453 0.000) 0.453 12.583 ( 0.000 11.041 0.000) 11.041 12.714 ( 0.000 4.195 0.000) 4.195 12.806 ( 0.000 0.066 0.000) 0.066 13.026 ( 0.000 5.892 0.000) 5.892 13.189 ( 0.000 2.859 0.000) 2.859 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 1.698 0.000 31.719) 31.764 0.711 ( 1.613 0.000 33.632) 33.670 1.089 ( 4.798 0.000 48.966) 49.201 2.344 ( -2.741 -0.000 -2.755) 3.886 2.468 ( 2.379 0.000 -0.880) 2.537 3.100 ( -7.005 -0.000 -10.214) 12.385 4.047 ( -3.170 -0.000 9.642) 10.150 4.151 ( -2.154 -0.000 -1.384) 2.560 4.461 ( -3.014 -0.000 -1.157) 3.228 4.780 ( 8.724 0.000 3.406) 9.365 4.820 ( 3.169 0.000 -1.595) 3.547 5.109 ( 0.750 0.000 4.952) 5.009 5.253 ( 0.029 0.000 -2.690) 2.690 5.568 ( 0.667 0.000 -8.738) 8.763 5.572 ( -3.472 -0.000 2.046) 4.030 5.827 ( -3.393 -0.000 2.688) 4.328 5.909 ( 3.870 0.000 -6.775) 7.802 6.277 ( 1.144 0.000 -3.971) 4.133 6.658 ( -0.934 -0.000 -0.945) 1.329 6.705 ( 9.730 0.000 -3.194) 10.240 7.351 ( -0.796 -0.000 2.335) 2.467 7.667 ( 2.891 0.000 -1.124) 3.102 7.765 ( -0.614 -0.000 2.463) 2.538 8.014 ( 2.402 0.000 -2.365) 3.371 8.228 ( 0.737 0.000 -3.228) 3.311 8.315 ( 0.182 0.000 -1.982) 1.990 8.523 ( -1.966 -0.000 2.921) 3.521 8.882 ( 3.945 0.000 7.156) 8.171 8.904 ( 1.090 0.000 3.901) 4.050 9.351 ( -2.650 -0.000 4.306) 5.056 9.490 ( -18.105 -0.000 -6.513) 19.241 9.632 ( 3.146 0.000 -5.163) 6.046 9.976 ( -6.190 -0.000 -2.158) 6.555 10.060 ( 4.483 0.000 -0.126) 4.485 10.227 ( -3.924 -0.000 2.674) 4.749 10.228 ( -2.353 -0.000 -1.160) 2.623 10.406 ( -0.095 -0.000 0.708) 0.715 10.425 ( 2.038 0.000 -1.659) 2.628 10.816 ( -1.990 -0.000 1.337) 2.398 10.840 ( -1.754 -0.000 1.915) 2.597 11.063 ( 0.856 0.000 0.856) 1.210 11.204 ( 5.573 0.000 0.103) 5.574 11.394 ( -0.037 -0.000 -2.248) 2.249 11.461 ( -3.914 -0.000 -2.925) 4.886 11.639 ( -2.345 -0.000 4.036) 4.668 11.789 ( 5.785 0.000 1.248) 5.918 11.925 ( 0.940 0.000 4.452) 4.550 12.075 ( 0.137 0.000 -1.069) 1.078 12.255 ( 1.856 0.000 1.579) 2.437 12.335 ( 2.887 0.000 -2.540) 3.845 12.505 ( 6.001 0.000 -1.816) 6.269 12.698 ( -1.748 -0.000 -3.447) 3.865 12.848 ( 15.275 0.000 -0.559) 15.285 12.985 ( -3.811 -0.000 -3.375) 5.091 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 9.399 -16.706 22.686) 29.700 1.090 ( 8.168 -18.152 25.924) 32.684 1.656 ( 22.119 -24.644 27.991) 43.360 2.312 ( 0.957 -0.930 -4.174) 4.382 2.556 ( 2.451 -5.280 2.614) 6.381 2.994 ( -7.411 0.408 -13.339) 15.265 3.963 ( -12.125 3.994 7.301) 14.706 4.122 ( 1.105 2.896 0.266) 3.111 4.387 ( -7.417 2.909 0.055) 7.967 4.706 ( 2.651 11.619 -0.687) 11.937 4.823 ( 4.159 4.320 3.201) 6.798 4.991 ( 1.675 9.210 5.996) 11.117 5.342 ( -2.037 -6.046 -0.833) 6.434 5.461 ( -2.929 6.355 0.175) 7.000 5.593 ( 2.610 -1.486 -2.231) 3.741 5.859 ( 0.413 -6.664 -4.623) 8.121 5.990 ( 1.858 -5.186 -6.345) 8.403 6.312 ( 1.879 -1.878 -5.535) 6.140 6.637 ( -1.405 -2.082 0.060) 2.513 6.800 ( 2.775 -4.511 -2.135) 5.710 7.348 ( -0.964 -1.012 3.041) 3.347 7.684 ( 0.419 -0.561 0.967) 1.194 7.849 ( -0.256 -8.676 0.986) 8.735 8.086 ( 0.301 -4.696 -3.075) 5.621 8.259 ( -1.796 -4.421 -1.698) 5.065 8.399 ( 2.176 -7.126 -5.275) 9.129 8.560 ( -1.471 -4.220 1.990) 4.892 8.924 ( 0.580 -0.863 3.165) 3.332 8.979 ( 1.855 -3.159 5.393) 6.519 9.290 ( -1.856 1.248 1.675) 2.794 9.358 ( -9.747 0.984 1.731) 9.948 9.612 ( 0.243 1.665 -5.497) 5.749 9.918 ( -9.170 -1.960 -3.489) 10.005 10.071 ( 0.858 1.306 1.991) 2.531 10.199 ( -0.274 0.418 -1.151) 1.255 10.242 ( 1.220 -2.629 3.281) 4.378 10.420 ( 1.196 -2.470 -0.350) 2.766 10.527 ( 0.758 -4.414 -0.849) 4.558 10.799 ( -2.620 0.690 0.540) 2.762 10.886 ( 4.343 -1.827 -0.041) 4.712 11.039 ( 1.222 4.197 2.447) 5.010 11.196 ( -4.697 -0.174 -2.546) 5.346 11.302 ( 5.255 6.159 1.404) 8.217 11.441 ( 2.192 6.741 1.466) 7.238 11.651 ( 0.369 -1.225 0.644) 1.433 11.788 ( 0.148 3.433 0.065) 3.437 11.996 ( 2.993 -2.217 0.298) 3.737 12.020 ( 1.337 5.523 -1.154) 5.798 12.213 ( -0.237 3.649 1.925) 4.132 12.372 ( 3.320 -0.651 -1.417) 3.668 12.529 ( 3.545 1.395 -2.252) 4.426 12.648 ( 0.553 3.177 -4.977) 5.930 12.836 ( 7.744 6.508 0.747) 10.143 12.927 ( -2.099 3.998 -3.807) 5.906 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 9.375 -22.608 12.591) 27.523 1.586 ( 6.842 -19.044 17.414) 26.697 2.233 ( 8.996 -11.063 1.416) 14.329 2.440 ( 10.342 -9.677 -0.553) 14.174 2.716 ( 4.669 -6.411 6.193) 10.062 2.909 ( -0.894 -1.129 -12.897) 12.977 3.762 ( -14.290 6.121 4.528) 16.191 4.058 ( -0.640 4.666 3.984) 6.169 4.243 ( -9.561 3.936 4.294) 11.196 4.502 ( 2.686 11.041 0.229) 11.365 4.712 ( 0.819 9.035 3.407) 9.691 4.917 ( 2.437 2.459 6.678) 7.522 5.237 ( -3.778 8.981 -1.703) 9.891 5.466 ( -3.159 -3.450 4.775) 6.684 5.640 ( 4.764 -1.154 -1.336) 5.080 6.001 ( 3.901 -5.662 -5.566) 8.846 6.094 ( -0.959 -7.760 -8.729) 11.719 6.304 ( 0.027 0.685 -7.947) 7.976 6.723 ( -1.272 -6.975 1.356) 7.218 6.923 ( 1.844 -6.381 -0.915) 6.705 7.401 ( 1.194 -3.155 3.638) 4.961 7.711 ( -2.065 -2.361 2.422) 3.963 8.069 ( -1.207 -13.851 0.100) 13.904 8.189 ( 2.946 -6.392 -3.670) 7.938 8.371 ( -2.017 -9.478 0.101) 9.691 8.541 ( -1.746 -8.343 -1.984) 8.752 8.661 ( -0.399 -6.862 -0.811) 6.921 8.912 ( -3.343 0.877 0.620) 3.511 9.057 ( 2.447 -0.468 2.083) 3.248 9.267 ( -1.020 1.156 3.729) 4.035 9.330 ( -2.240 -4.397 0.044) 4.935 9.564 ( -0.766 0.593 -3.153) 3.299 9.886 ( -6.978 -3.423 -4.970) 9.226 10.048 ( -2.777 1.590 4.162) 5.250 10.203 ( 3.598 0.773 -1.921) 4.151 10.286 ( -0.411 -0.140 2.027) 2.073 10.505 ( 1.539 -3.610 1.408) 4.169 10.597 ( 0.272 -2.549 1.359) 2.902 10.759 ( -0.422 2.231 -0.617) 2.353 10.905 ( 0.620 5.295 0.394) 5.345 10.956 ( -0.176 2.254 -0.314) 2.283 11.136 ( -1.637 3.076 -2.626) 4.363 11.243 ( 4.316 7.747 2.254) 9.150 11.339 ( 5.892 3.494 3.776) 7.822 11.589 ( -1.966 7.962 -1.853) 8.408 11.750 ( 1.278 1.149 1.808) 2.494 11.867 ( 0.553 8.685 -1.713) 8.869 12.015 ( 0.837 2.810 -4.980) 5.778 12.171 ( -0.236 1.525 4.628) 4.879 12.414 ( 4.365 -0.608 -0.670) 4.457 12.503 ( 0.182 2.820 -1.356) 3.134 12.575 ( 1.473 2.847 -4.254) 5.327 12.741 ( -1.778 5.667 -2.153) 6.318 12.871 ( 5.124 1.956 -0.953) 5.566 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 4.322 -12.848 12.021) 18.118 2.045 ( 6.416 -21.890 5.239) 23.405 2.411 ( 0.725 -7.605 -2.212) 7.953 2.644 ( 3.318 -4.001 0.730) 5.249 2.777 ( -0.465 0.264 -6.776) 6.797 3.020 ( 11.026 -3.599 -4.014) 12.274 3.563 ( -9.187 4.025 4.305) 10.915 3.940 ( -4.219 7.195 9.751) 12.831 4.138 ( -4.893 3.589 7.476) 9.629 4.353 ( 0.595 5.546 -2.249) 6.014 4.576 ( 4.448 8.098 2.330) 9.529 4.908 ( -6.306 3.295 2.236) 7.458 5.123 ( 1.572 -3.713 2.228) 4.607 5.464 ( 0.963 3.166 3.565) 4.864 5.715 ( 1.869 -2.837 0.307) 3.411 6.059 ( 1.759 0.496 -7.232) 7.459 6.159 ( -0.451 -1.856 -4.569) 4.952 6.312 ( -1.024 -4.856 -7.308) 8.834 6.852 ( 0.459 -6.027 1.665) 6.269 7.042 ( 0.752 -4.869 -0.833) 4.997 7.500 ( 3.288 -3.602 4.452) 6.603 7.741 ( -5.311 -2.901 2.926) 6.722 8.262 ( -0.900 -7.402 -0.778) 7.497 8.384 ( 2.350 -10.479 -5.057) 11.870 8.529 ( -3.589 -7.024 -0.294) 7.893 8.665 ( -1.185 -6.984 0.552) 7.105 8.783 ( -0.085 -6.715 -3.062) 7.380 8.929 ( 0.575 -5.897 1.153) 6.037 9.043 ( -0.351 0.590 -0.529) 0.867 9.323 ( 0.736 -2.948 -0.136) 3.041 9.382 ( 1.199 -3.258 -0.216) 3.478 9.607 ( 2.050 -4.993 -0.487) 5.419 9.882 ( -4.011 -1.453 -3.524) 5.533 9.967 ( -4.827 4.994 6.192) 9.305 10.187 ( -0.467 2.012 -5.072) 5.477 10.278 ( 0.622 1.315 3.071) 3.398 10.511 ( -1.130 6.044 -1.035) 6.236 10.628 ( 0.358 1.128 5.555) 5.679 10.681 ( 0.107 2.597 0.219) 2.609 10.810 ( -1.874 2.739 -0.845) 3.424 10.919 ( 1.633 1.547 -3.710) 4.338 11.041 ( 3.681 6.254 0.826) 7.303 11.166 ( 0.456 1.360 -0.632) 1.568 11.347 ( -3.800 9.159 -0.179) 9.918 11.415 ( 7.733 3.887 4.145) 9.596 11.675 ( 0.682 5.725 1.313) 5.913 11.786 ( -0.941 0.184 -2.182) 2.384 11.943 ( 2.493 2.673 -6.763) 7.687 12.139 ( -1.913 2.408 4.199) 5.205 12.385 ( -1.136 4.400 -2.418) 5.148 12.485 ( 3.218 1.323 1.972) 3.999 12.560 ( 1.551 -0.798 -1.919) 2.594 12.644 ( -0.642 2.367 -1.735) 3.004 12.887 ( 3.465 0.452 -1.227) 3.703 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.141 -2.791 4.582) 5.367 2.454 ( 4.439 -11.558 0.734) 12.403 2.539 ( -1.216 -4.995 1.723) 5.422 2.679 ( 0.540 -1.176 -0.186) 1.307 2.742 ( 0.507 2.051 -1.944) 2.871 3.129 ( 0.985 -4.625 2.791) 5.491 3.498 ( -2.586 -0.258 1.886) 3.211 3.822 ( -3.080 4.852 12.755) 13.990 4.024 ( -3.801 4.953 4.552) 7.726 4.301 ( -2.018 -1.143 -3.714) 4.379 4.494 ( 4.973 5.689 -0.427) 7.568 4.778 ( -4.836 1.998 0.599) 5.266 5.273 ( 1.148 -4.667 -2.688) 5.507 5.417 ( 4.879 5.763 4.582) 8.833 5.741 ( -1.524 1.183 1.116) 2.229 6.023 ( -0.421 -1.204 -6.885) 7.002 6.180 ( 3.316 -0.171 -1.797) 3.775 6.374 ( -1.070 -3.962 -3.308) 5.271 6.949 ( 0.763 -2.599 2.148) 3.457 7.108 ( 0.210 -1.779 -0.556) 1.876 7.588 ( 1.480 -0.852 4.137) 4.475 7.740 ( -4.618 -1.236 2.747) 5.514 8.354 ( 0.447 -2.816 -1.768) 3.355 8.443 ( -3.314 -0.279 -2.909) 4.418 8.634 ( 1.167 -4.438 -1.816) 4.935 8.742 ( 2.281 0.114 -2.405) 3.317 8.916 ( -0.696 -7.354 -1.494) 7.537 9.046 ( 0.806 -2.734 -0.366) 2.874 9.122 ( 2.030 -6.987 -2.514) 7.698 9.324 ( -2.598 -0.488 0.323) 2.663 9.522 ( 5.102 -5.560 -0.418) 7.558 9.709 ( -0.402 0.658 0.224) 0.803 9.784 ( 0.098 5.614 -0.182) 5.617 9.885 ( -0.777 1.511 1.722) 2.419 10.099 ( -0.567 3.238 -3.109) 4.525 10.249 ( -5.098 0.413 -0.646) 5.155 10.355 ( 0.249 4.648 2.697) 5.379 10.594 ( -0.144 3.224 -0.375) 3.249 10.678 ( 0.309 3.063 1.321) 3.350 10.759 ( -2.027 -2.794 0.185) 3.457 10.910 ( 1.593 1.466 0.111) 2.168 11.014 ( 2.723 -0.035 -2.878) 3.962 11.143 ( -4.831 3.514 0.547) 5.999 11.188 ( 1.319 -1.940 0.465) 2.392 11.371 ( 2.812 5.828 1.561) 6.656 11.647 ( 0.762 1.543 2.211) 2.802 11.775 ( 0.013 -0.457 -0.880) 0.991 11.946 ( 4.474 -1.527 -5.263) 7.074 12.092 ( -1.809 1.500 3.263) 4.021 12.301 ( -2.145 1.671 -0.729) 2.815 12.461 ( 0.464 2.454 -0.164) 2.503 12.582 ( 0.452 -0.296 -0.388) 0.665 12.640 ( 1.934 -0.930 1.028) 2.380 12.896 ( 0.514 0.031 -2.212) 2.271 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -4.209 4.886 2.972) 7.101 2.391 ( 0.379 12.676 -1.201) 12.739 2.504 ( -1.787 10.425 1.001) 10.624 2.743 ( -1.948 -1.436 2.889) 3.769 2.819 ( 0.468 -8.306 -0.707) 8.349 3.241 ( -4.644 -3.429 4.369) 7.239 3.523 ( 0.205 -5.971 5.521) 8.135 3.790 ( -1.596 -0.291 12.298) 12.404 3.989 ( -2.439 -3.016 3.578) 5.277 4.305 ( -4.248 -2.973 -6.606) 8.398 4.451 ( 2.486 0.878 -1.241) 2.914 4.791 ( 0.853 -4.102 2.364) 4.810 5.202 ( 0.336 13.571 0.671) 13.591 5.367 ( 1.240 -0.611 -3.315) 3.592 5.674 ( 0.456 4.309 -2.486) 4.996 6.072 ( 0.782 -3.427 -3.973) 5.304 6.217 ( 4.272 -0.629 -1.160) 4.472 6.428 ( 0.442 -2.496 -0.268) 2.549 6.967 ( -0.010 1.736 2.653) 3.170 7.101 ( -0.885 2.297 -0.640) 2.544 7.560 ( -5.132 2.163 3.822) 6.754 7.740 ( 2.998 2.143 1.972) 4.179 8.354 ( 0.362 3.162 -0.468) 3.217 8.430 ( 1.727 -0.807 -5.588) 5.905 8.609 ( 0.816 5.759 -1.742) 6.071 8.759 ( 1.206 1.357 -1.834) 2.580 8.952 ( -2.884 -0.012 -1.834) 3.418 9.004 ( 1.108 8.221 -0.221) 8.298 9.183 ( 1.750 5.864 -0.206) 6.124 9.339 ( 2.662 -0.048 0.342) 2.685 9.476 ( -7.227 2.195 -2.235) 7.877 9.680 ( 2.318 5.415 1.198) 6.011 9.724 ( 2.532 -0.893 0.147) 2.689 9.907 ( 5.713 -1.228 -3.063) 6.598 10.172 ( 0.888 -5.537 1.475) 5.799 10.240 ( 1.192 -4.795 -4.192) 6.480 10.328 ( -2.700 -2.092 4.606) 5.734 10.542 ( -1.309 1.006 0.985) 1.922 10.651 ( -1.291 -1.469 -0.913) 2.158 10.768 ( -0.945 2.185 0.176) 2.387 10.896 ( -2.633 -3.591 -0.848) 4.533 11.071 ( 1.091 -4.321 -1.843) 4.823 11.122 ( -1.416 -0.882 -0.658) 1.793 11.250 ( 0.680 -2.539 2.243) 3.455 11.381 ( 0.372 -6.126 2.404) 6.592 11.589 ( -2.317 2.782 0.394) 3.642 11.780 ( 0.933 1.107 -0.057) 1.449 12.021 ( 3.452 -3.117 -4.031) 6.155 12.080 ( -1.124 -0.695 2.361) 2.706 12.296 ( -1.591 -2.954 -0.828) 3.456 12.423 ( -0.113 1.203 1.173) 1.684 12.599 ( -0.240 -1.558 0.201) 1.589 12.680 ( 1.767 -0.874 1.205) 2.310 12.879 ( -2.148 0.141 -3.070) 3.749 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -10.286 15.888 8.001) 20.548 2.029 ( -6.311 22.714 4.355) 23.973 2.324 ( 1.767 6.231 -3.998) 7.612 2.621 ( -6.024 11.958 -3.771) 13.910 2.885 ( -6.579 0.845 0.910) 6.695 3.179 ( -5.993 0.475 1.376) 6.167 3.769 ( 3.811 -8.314 14.770) 17.373 3.901 ( 1.778 -9.545 7.264) 12.126 4.085 ( -0.331 -6.418 5.337) 8.354 4.315 ( -2.793 -4.732 -7.485) 9.286 4.502 ( 0.757 -4.026 0.730) 4.161 4.875 ( 0.096 5.047 1.878) 5.386 4.987 ( -1.377 -3.046 1.943) 3.866 5.413 ( 6.447 -0.761 -4.638) 7.978 5.588 ( 0.859 3.633 -3.763) 5.301 6.088 ( 0.165 1.166 -4.050) 4.217 6.250 ( 4.001 0.986 -3.774) 5.588 6.458 ( -0.024 -0.149 0.238) 0.282 6.900 ( 0.583 6.579 3.096) 7.294 7.001 ( -3.241 5.566 -1.518) 6.617 7.484 ( -5.342 2.082 4.681) 7.402 7.705 ( 4.109 4.815 0.597) 6.358 8.257 ( 1.813 8.147 -0.370) 8.355 8.370 ( 0.336 8.360 -6.182) 10.403 8.500 ( 2.103 6.430 -1.499) 6.929 8.663 ( 2.622 5.896 -2.605) 6.959 8.826 ( 0.336 8.778 0.856) 8.826 8.900 ( -1.730 7.540 0.051) 7.736 9.032 ( 1.970 3.024 1.850) 4.056 9.322 ( -1.543 3.193 -0.307) 3.560 9.459 ( -1.771 -1.655 -2.360) 3.383 9.543 ( 1.410 6.575 0.891) 6.784 9.824 ( 6.805 -3.585 0.067) 7.692 10.013 ( 4.733 -4.095 -0.937) 6.328 10.189 ( -2.807 -0.506 0.500) 2.895 10.350 ( 1.675 -0.353 -2.218) 2.802 10.390 ( -0.669 -5.094 2.271) 5.617 10.527 ( -2.727 3.612 1.849) 4.889 10.701 ( 3.412 -8.083 0.150) 8.775 10.819 ( 0.120 -5.564 -0.389) 5.579 10.968 ( -1.434 -5.072 -0.982) 5.362 11.080 ( -3.389 -0.660 0.379) 3.473 11.162 ( -5.436 -5.778 -0.566) 7.953 11.309 ( 1.821 0.902 -0.429) 2.077 11.493 ( -1.307 -6.322 2.500) 6.923 11.638 ( 0.317 -9.057 0.507) 9.076 11.747 ( -1.682 1.321 -1.008) 2.364 12.055 ( -0.297 -0.513 -4.731) 4.768 12.114 ( 0.257 -1.874 3.024) 3.567 12.351 ( -1.535 -3.650 -2.044) 4.456 12.449 ( 1.534 -3.072 2.492) 4.243 12.628 ( -0.373 -1.179 0.260) 1.264 12.703 ( 0.013 -0.426 -1.847) 1.895 12.859 ( -3.706 -2.740 -1.842) 4.964 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -13.461 23.527 11.341) 29.382 1.502 ( -10.926 26.297 10.282) 30.276 2.071 ( -14.969 26.191 1.364) 30.198 2.323 ( 1.553 3.062 -6.509) 7.359 2.724 ( -7.971 7.438 5.521) 12.221 3.177 ( -2.047 -1.826 -1.908) 3.342 3.910 ( 1.964 -2.505 10.719) 11.182 4.107 ( -2.813 -5.975 4.738) 8.128 4.273 ( 5.620 -7.722 5.936) 11.246 4.427 ( 1.813 -10.575 -3.461) 11.274 4.616 ( 3.806 -5.665 0.239) 6.830 4.802 ( -3.935 -3.167 -0.210) 5.056 5.172 ( 3.552 -9.651 2.826) 10.665 5.440 ( 4.677 1.873 -3.759) 6.286 5.562 ( 1.293 -0.816 -1.613) 2.222 6.016 ( -0.787 4.518 -4.499) 6.424 6.190 ( 1.373 6.401 -6.805) 9.443 6.427 ( -1.716 2.617 -2.087) 3.761 6.765 ( 1.869 8.459 2.067) 8.906 6.854 ( -2.944 6.165 -0.624) 6.860 7.416 ( -5.019 1.884 4.527) 7.016 7.656 ( 3.792 3.556 0.014) 5.199 8.042 ( 1.577 13.909 -0.652) 14.013 8.219 ( -0.790 5.438 -2.801) 6.167 8.360 ( 3.518 8.286 -1.126) 9.072 8.563 ( 1.187 7.659 -5.777) 9.667 8.686 ( -0.660 6.592 2.207) 6.983 8.803 ( 4.411 2.442 0.914) 5.124 9.008 ( 0.906 3.951 1.722) 4.404 9.254 ( -2.946 -0.662 2.565) 3.962 9.476 ( 2.121 -0.347 0.187) 2.157 9.512 ( 3.439 -0.498 -1.842) 3.933 9.935 ( 3.741 -3.061 -1.604) 5.093 10.083 ( 2.651 0.837 2.081) 3.473 10.191 ( -0.139 -0.666 0.954) 1.172 10.295 ( -3.490 2.639 -1.039) 4.497 10.451 ( 0.247 0.843 -0.068) 0.881 10.506 ( 2.608 -1.928 2.723) 4.235 10.843 ( 0.354 -3.525 -0.108) 3.545 10.888 ( -5.377 -3.309 2.239) 6.699 10.986 ( 0.636 1.479 -0.680) 1.748 11.136 ( -3.703 -5.165 -1.549) 6.541 11.226 ( 0.892 -3.666 -2.277) 4.406 11.328 ( -1.580 -6.570 3.155) 7.458 11.629 ( -0.893 -3.782 -2.820) 4.802 11.696 ( -0.559 -2.294 2.613) 3.522 11.848 ( -0.050 -10.046 -0.776) 10.076 12.031 ( -1.317 0.755 -2.263) 2.726 12.155 ( 0.060 -1.531 1.408) 2.080 12.378 ( -2.570 -1.339 0.504) 2.941 12.535 ( 2.269 -2.155 -4.904) 5.817 12.618 ( -2.634 -0.685 -1.824) 3.276 12.701 ( -0.829 -1.179 -1.371) 1.989 12.925 ( -3.383 -6.711 0.009) 7.515 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -14.279 22.625 18.013) 32.253 0.957 ( -11.985 23.142 21.229) 33.613 1.379 ( -13.481 31.158 25.571) 42.502 2.325 ( 0.538 -1.987 -3.804) 4.325 2.550 ( -3.038 6.649 2.220) 7.640 3.165 ( -4.305 -0.948 -6.133) 7.553 3.996 ( 2.194 -1.737 8.476) 8.926 4.155 ( -4.525 -2.786 1.328) 5.478 4.430 ( 2.458 -3.986 1.605) 4.950 4.650 ( 5.613 -7.014 0.113) 8.984 4.736 ( 2.243 -4.798 -2.491) 5.853 4.939 ( 0.849 -10.590 3.457) 11.172 5.315 ( 5.935 3.334 1.153) 6.904 5.484 ( -1.901 -8.679 -2.401) 9.203 5.587 ( 0.340 -0.303 0.970) 1.071 5.889 ( -1.084 5.503 -5.677) 7.980 6.023 ( -0.931 8.018 -5.711) 9.887 6.333 ( -0.809 3.974 -3.842) 5.586 6.649 ( 1.056 4.795 0.587) 4.945 6.741 ( 1.911 4.924 0.052) 5.282 7.360 ( -3.523 1.056 4.001) 5.434 7.646 ( 3.584 0.879 -0.247) 3.699 7.836 ( 0.907 8.272 0.755) 8.356 8.102 ( 1.646 6.360 -3.790) 7.585 8.270 ( 1.459 3.656 -1.891) 4.368 8.400 ( -0.243 6.823 -5.209) 8.588 8.578 ( -1.775 4.253 2.345) 5.171 8.829 ( 4.769 0.606 3.669) 6.048 8.935 ( 2.285 4.681 2.461) 5.761 9.303 ( -2.736 -4.511 3.818) 6.512 9.537 ( -4.866 -5.601 2.507) 7.831 9.559 ( 9.119 -0.528 -6.383) 11.144 10.000 ( 1.364 -2.075 -1.524) 2.914 10.054 ( -0.451 2.583 -1.385) 2.966 10.180 ( 2.937 2.530 4.979) 6.310 10.256 ( -3.132 -1.362 -0.202) 3.422 10.437 ( -2.126 0.094 -2.936) 3.626 10.519 ( 0.389 3.603 2.508) 4.407 10.841 ( -0.221 1.794 0.403) 1.852 10.892 ( -7.417 -1.354 -0.176) 7.542 11.003 ( 1.471 -3.012 2.284) 4.056 11.153 ( 5.499 1.485 -1.103) 5.801 11.316 ( -1.975 -5.525 -0.945) 5.943 11.475 ( -5.508 -8.147 1.063) 9.892 11.617 ( 2.737 1.047 0.468) 2.968 11.787 ( -0.220 -2.666 0.046) 2.675 11.967 ( -1.774 1.688 -1.965) 3.140 12.023 ( -0.202 -4.861 0.376) 4.880 12.186 ( 0.774 -1.958 0.753) 2.236 12.360 ( -1.328 1.165 -1.296) 2.191 12.502 ( -0.645 1.414 -6.260) 6.450 12.665 ( 0.070 -4.317 0.062) 4.318 12.725 ( 1.127 -1.518 -0.572) 1.976 13.003 ( -3.511 -3.851 -1.615) 5.456 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 19.971 0.000 24.213) 31.387 1.101 ( 18.315 0.000 26.863) 32.512 1.769 ( 35.537 0.000 35.384) 50.149 2.291 ( -0.434 -0.000 -3.289) 3.318 2.542 ( 4.873 0.000 2.154) 5.328 2.892 ( -5.310 -0.000 -16.138) 16.989 3.906 ( -15.442 -0.000 7.141) 17.013 4.170 ( 1.952 0.000 -0.177) 1.960 4.331 ( -10.741 -0.000 -1.679) 10.871 4.875 ( 3.560 0.000 -0.686) 3.626 4.916 ( 2.730 0.000 4.741) 5.471 5.122 ( -2.736 -0.000 4.621) 5.370 5.190 ( -3.363 -0.000 -3.399) 4.782 5.472 ( -8.901 -0.000 1.476) 9.022 5.583 ( 6.627 0.000 -10.166) 12.136 5.778 ( -3.602 -0.000 1.699) 3.983 5.963 ( 5.592 0.000 -5.524) 7.861 6.306 ( 5.094 0.000 -3.657) 6.271 6.641 ( 0.048 0.000 -1.383) 1.384 6.742 ( 0.412 0.000 -5.164) 5.181 7.335 ( -1.572 -0.000 1.557) 2.213 7.678 ( -1.212 -0.000 -0.362) 1.265 7.757 ( -1.875 -0.000 2.196) 2.887 8.028 ( 0.190 0.000 0.293) 0.349 8.208 ( -0.738 -0.000 -5.106) 5.159 8.314 ( 0.315 0.000 -1.705) 1.734 8.518 ( 0.034 0.000 1.625) 1.625 8.879 ( -6.977 -0.000 5.186) 8.694 8.994 ( 3.770 0.000 4.298) 5.717 9.222 ( -8.049 -0.000 -0.695) 8.079 9.378 ( 3.379 0.000 3.545) 4.897 9.596 ( -4.896 -0.000 -3.062) 5.775 9.785 ( -10.727 -0.000 -5.429) 12.022 10.065 ( -5.052 -0.000 -1.005) 5.151 10.203 ( -1.333 -0.000 4.359) 4.559 10.243 ( 5.630 0.000 0.633) 5.665 10.425 ( 1.856 0.000 -0.318) 1.883 10.492 ( 5.950 0.000 -1.085) 6.049 10.802 ( -0.866 -0.000 0.670) 1.095 10.909 ( 5.489 0.000 0.824) 5.551 11.104 ( 1.795 0.000 0.812) 1.970 11.144 ( -4.731 -0.000 0.496) 4.757 11.383 ( 1.234 0.000 -1.555) 1.985 11.586 ( 6.765 0.000 3.551) 7.640 11.604 ( -3.520 -0.000 4.164) 5.452 11.826 ( 1.349 0.000 -1.992) 2.406 12.011 ( 5.920 0.000 0.437) 5.936 12.082 ( -0.073 -0.000 -0.887) 0.889 12.244 ( -3.258 -0.000 2.398) 4.045 12.397 ( 6.625 0.000 -2.962) 7.257 12.586 ( 4.402 0.000 -2.195) 4.919 12.665 ( 0.907 0.000 -6.081) 6.148 12.910 ( -0.894 -0.000 -5.735) 5.804 13.031 ( 5.888 0.000 -3.306) 6.752 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 19.804 -8.019 16.705) 27.121 1.470 ( 17.374 -10.478 23.061) 30.716 2.205 ( 14.603 -3.740 4.163) 15.639 2.386 ( 15.706 -7.660 8.123) 19.270 2.636 ( 0.491 -5.763 5.226) 7.795 2.854 ( 6.830 -2.558 -13.253) 15.127 3.743 ( -16.574 4.097 6.114) 18.135 4.144 ( 0.680 3.581 -0.157) 3.648 4.205 ( -12.613 1.449 0.389) 12.702 4.744 ( 1.512 11.834 -0.501) 11.940 4.864 ( -1.054 6.555 3.662) 7.583 5.042 ( -0.989 5.005 5.151) 7.250 5.252 ( -6.965 -2.386 -4.063) 8.409 5.378 ( -6.159 -1.006 6.057) 8.697 5.653 ( 5.869 -2.336 -5.628) 8.460 5.823 ( -1.346 -8.054 -4.558) 9.352 6.016 ( 4.686 -2.258 -5.942) 7.897 6.341 ( 5.365 1.827 -5.600) 7.968 6.626 ( 0.171 -1.927 0.655) 2.042 6.809 ( 0.832 -6.079 -3.110) 6.879 7.359 ( 0.793 -2.836 1.607) 3.354 7.667 ( -3.508 -0.883 1.738) 4.013 7.831 ( -2.070 -8.727 0.926) 9.017 8.090 ( 0.574 -5.432 0.259) 5.468 8.213 ( -1.520 -4.165 -2.043) 4.882 8.379 ( -1.877 -6.172 -1.647) 6.658 8.562 ( 0.615 -3.630 0.114) 3.684 8.857 ( -7.252 -2.227 2.349) 7.941 9.050 ( 1.503 -2.483 0.556) 2.955 9.185 ( -5.667 -2.136 -0.344) 6.066 9.368 ( 1.721 4.153 2.459) 5.124 9.554 ( -2.752 -0.644 0.279) 2.840 9.715 ( -8.319 -3.066 -6.447) 10.963 10.019 ( -5.832 -1.020 -1.388) 6.081 10.218 ( -0.356 -0.912 2.459) 2.646 10.324 ( 6.094 -0.998 2.651) 6.720 10.450 ( 2.191 -1.959 -0.624) 3.005 10.564 ( 3.198 -1.923 0.267) 3.741 10.782 ( -0.470 1.112 0.803) 1.450 10.957 ( 3.055 0.264 0.058) 3.067 11.041 ( -1.899 5.119 1.343) 5.623 11.132 ( -1.510 0.041 -1.654) 2.241 11.378 ( 1.978 1.849 1.284) 2.996 11.510 ( 3.249 6.764 5.108) 9.078 11.654 ( -0.230 0.676 0.701) 1.001 11.810 ( 2.204 2.387 -0.169) 3.254 11.995 ( -2.412 5.678 -1.416) 6.329 12.062 ( 2.667 1.540 -1.631) 3.485 12.211 ( 0.052 1.640 2.352) 2.868 12.454 ( 7.294 0.122 -2.730) 7.789 12.576 ( 2.596 3.521 -1.001) 4.487 12.633 ( 1.574 2.202 -5.387) 6.029 12.852 ( 1.328 5.386 -5.289) 7.665 12.981 ( 5.143 5.390 -0.384) 7.460 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 13.705 -13.971 8.035) 21.156 1.876 ( 13.798 -11.065 18.266) 25.426 2.316 ( 3.864 -3.707 -3.279) 6.279 2.596 ( 3.165 -4.212 1.485) 5.474 2.746 ( 5.463 -2.462 -5.136) 7.892 3.046 ( 11.990 -3.739 -2.911) 12.892 3.551 ( -12.313 3.189 6.007) 14.066 4.036 ( -6.432 4.589 4.932) 9.314 4.137 ( -3.390 -0.106 5.100) 6.125 4.523 ( -0.477 11.333 0.065) 11.343 4.751 ( 1.582 6.269 1.484) 6.634 4.942 ( -3.916 4.261 4.373) 7.253 5.115 ( -5.222 3.792 -0.635) 6.484 5.456 ( -3.318 -5.133 6.632) 9.019 5.705 ( 3.493 -0.574 -2.315) 4.229 5.989 ( 0.011 -9.518 -10.143) 13.910 6.089 ( 4.931 -2.886 -3.738) 6.828 6.285 ( 3.194 4.257 -6.930) 8.737 6.742 ( 2.363 -7.184 1.984) 7.818 6.933 ( 0.562 -6.590 -2.027) 6.918 7.456 ( 2.838 -4.644 1.937) 5.777 7.660 ( -5.698 -1.827 3.794) 7.085 8.034 ( -2.264 -13.373 0.713) 13.582 8.220 ( 2.455 -7.509 -2.979) 8.443 8.343 ( -1.302 -9.613 -0.543) 9.716 8.484 ( -3.864 -8.119 1.599) 9.132 8.649 ( -0.898 -5.722 -1.630) 6.017 8.856 ( -1.991 -2.713 -0.317) 3.380 9.072 ( 0.065 1.332 -2.264) 2.627 9.213 ( -6.718 -6.334 -1.335) 9.329 9.332 ( 0.486 -0.557 1.300) 1.496 9.572 ( 2.016 -1.278 0.947) 2.568 9.715 ( -6.576 -5.268 -3.741) 9.219 9.990 ( -5.866 -0.809 0.555) 5.947 10.207 ( -1.631 2.176 0.128) 2.723 10.369 ( 6.831 2.706 1.445) 7.489 10.518 ( -0.557 -2.933 -0.297) 3.000 10.615 ( 0.207 -1.940 2.060) 2.837 10.758 ( -0.187 2.530 1.975) 3.215 10.872 ( -2.914 6.389 -0.501) 7.040 10.982 ( 3.079 2.996 -0.300) 4.307 11.096 ( -0.908 1.444 -1.980) 2.613 11.308 ( -0.091 6.697 3.588) 7.598 11.454 ( 0.818 5.648 1.789) 5.981 11.587 ( 3.540 5.219 -0.034) 6.306 11.770 ( 0.382 3.986 2.207) 4.572 11.851 ( 0.792 5.970 -2.133) 6.389 12.014 ( 3.119 3.936 -4.229) 6.566 12.183 ( -1.238 2.475 2.836) 3.963 12.441 ( -1.052 4.019 -3.732) 5.584 12.547 ( 3.666 1.480 1.459) 4.214 12.606 ( 5.646 2.185 -2.316) 6.482 12.728 ( 2.726 6.754 -2.874) 7.830 12.952 ( 4.734 2.892 -1.715) 5.806 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 5.765 -7.892 6.076) 11.508 2.254 ( 11.215 -13.485 9.481) 19.938 2.415 ( 1.568 -5.710 -3.106) 6.686 2.684 ( 1.536 -1.986 1.668) 3.014 2.793 ( 5.321 1.134 -4.439) 7.022 3.081 ( -1.840 -0.004 -1.574) 2.422 3.460 ( -6.623 0.164 3.247) 7.378 3.924 ( -4.823 4.715 10.883) 12.804 4.091 ( -4.854 4.195 4.733) 7.972 4.334 ( -1.603 6.832 -1.091) 7.102 4.631 ( 0.221 6.395 -4.110) 7.605 4.815 ( -3.739 6.098 5.190) 8.838 5.167 ( 3.371 -7.000 0.370) 7.779 5.531 ( 2.031 -2.459 4.279) 5.337 5.733 ( 0.861 -0.268 -0.283) 0.946 6.021 ( 1.776 2.158 -7.351) 7.864 6.204 ( 5.061 -2.312 -1.338) 5.723 6.256 ( -0.039 -3.693 -7.006) 7.920 6.897 ( 2.989 -5.130 2.104) 6.299 7.042 ( 0.145 -5.081 -1.194) 5.221 7.553 ( -2.886 -2.872 3.368) 5.284 7.684 ( -0.079 -3.646 3.192) 4.847 8.242 ( -1.066 -8.779 0.669) 8.869 8.367 ( -0.501 -4.888 -4.985) 6.999 8.485 ( -0.676 -9.428 -0.270) 9.457 8.664 ( -0.433 -10.555 1.181) 10.630 8.764 ( -0.174 -7.175 -2.536) 7.612 8.930 ( -0.534 -5.389 -1.478) 5.613 9.056 ( 2.651 -1.606 -1.930) 3.651 9.243 ( -5.657 -3.971 -1.808) 7.145 9.417 ( -1.208 -6.298 -1.397) 6.563 9.649 ( 2.018 -5.507 -1.519) 6.059 9.770 ( -4.009 -5.173 0.714) 6.583 9.922 ( -4.841 4.142 4.205) 7.634 10.125 ( -2.189 3.328 -2.805) 4.872 10.348 ( 3.703 5.375 0.986) 6.601 10.459 ( -2.405 7.629 -2.907) 8.511 10.640 ( -1.381 -0.498 1.631) 2.195 10.696 ( -1.929 2.474 5.134) 6.016 10.778 ( -0.481 2.844 -0.285) 2.898 10.941 ( 3.066 2.634 -2.213) 4.608 11.065 ( -0.799 1.369 -0.622) 1.703 11.194 ( 1.556 6.145 1.895) 6.616 11.270 ( -2.853 8.976 0.038) 9.419 11.509 ( -1.655 5.681 -0.728) 5.962 11.711 ( 2.545 3.546 -1.076) 4.495 11.821 ( 7.017 1.540 4.703) 8.586 11.976 ( 5.039 1.998 -5.223) 7.527 12.118 ( -2.365 2.762 1.568) 3.960 12.334 ( -2.840 3.989 -1.038) 5.006 12.519 ( -0.167 3.165 1.362) 3.449 12.609 ( 2.664 2.454 -1.775) 4.034 12.677 ( 5.702 1.427 0.187) 5.881 12.926 ( 2.711 2.538 -2.895) 4.709 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 1.702 2.176 2.316) 3.605 2.527 ( 0.866 -3.143 -0.265) 3.271 2.594 ( 7.665 -8.191 3.924) 11.884 2.690 ( 0.408 0.117 -0.141) 0.447 2.749 ( 1.352 5.817 -0.305) 5.980 3.113 ( -5.510 -5.819 4.544) 9.213 3.435 ( -4.866 -2.588 2.950) 6.251 3.837 ( -4.607 3.426 12.212) 13.495 3.974 ( -3.452 3.080 3.048) 5.540 4.233 ( -3.657 1.280 -2.073) 4.394 4.511 ( -0.109 4.535 -5.544) 7.163 4.745 ( -1.574 -0.125 5.124) 5.361 5.293 ( 4.524 -3.400 -5.739) 8.060 5.546 ( 5.174 10.291 3.895) 12.159 5.694 ( -3.838 1.015 -2.239) 4.558 6.026 ( 5.087 -2.302 -2.537) 6.133 6.236 ( 2.497 -0.421 -0.919) 2.694 6.356 ( 1.867 -5.189 -3.365) 6.461 6.980 ( 0.777 -1.323 2.169) 2.656 7.111 ( 0.555 -1.398 -0.292) 1.532 7.536 ( -7.315 -0.094 4.519) 8.599 7.790 ( 5.955 -2.111 0.986) 6.394 8.343 ( -0.747 -2.844 -1.469) 3.287 8.403 ( 1.294 -2.431 -2.613) 3.796 8.652 ( 2.136 -4.088 -1.641) 4.895 8.761 ( 0.228 -0.212 -1.897) 1.922 8.861 ( -2.497 -5.430 -1.517) 6.166 9.057 ( 1.580 -5.985 -1.446) 6.356 9.156 ( 1.589 -4.682 -2.395) 5.494 9.294 ( -0.878 -4.776 0.762) 4.916 9.468 ( -7.607 -2.638 -3.369) 8.728 9.729 ( -0.924 3.956 3.237) 5.194 9.788 ( 1.911 0.823 -1.782) 2.740 9.876 ( -1.261 -3.927 0.042) 4.125 10.070 ( -1.639 -2.862 0.237) 3.307 10.199 ( 0.350 5.770 -0.898) 5.850 10.390 ( 1.901 1.203 1.402) 2.651 10.545 ( -4.234 6.178 -0.312) 7.496 10.676 ( -0.641 2.122 -0.033) 2.217 10.725 ( -2.151 -0.736 1.059) 2.508 10.906 ( -2.269 3.237 -0.415) 3.975 11.040 ( 0.981 -0.776 0.037) 1.252 11.095 ( 0.434 2.984 -1.012) 3.181 11.224 ( 1.953 -1.880 1.698) 3.199 11.379 ( -2.147 4.666 0.476) 5.158 11.660 ( 1.294 3.710 -0.604) 3.976 11.865 ( 6.528 2.794 3.956) 8.128 11.994 ( 4.386 -0.926 -5.863) 7.381 12.062 ( -2.806 1.150 -0.560) 3.084 12.262 ( -1.735 0.618 1.692) 2.501 12.459 ( -1.116 2.490 1.466) 3.098 12.589 ( 0.759 0.471 0.125) 0.902 12.706 ( 3.451 0.602 1.345) 3.753 12.885 ( 0.789 2.408 -4.032) 4.762 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.746 9.275 3.918) 10.219 2.405 ( 0.655 17.133 1.018) 17.176 2.508 ( 2.358 11.595 -0.542) 11.845 2.710 ( -3.337 -0.527 2.394) 4.141 2.817 ( 0.093 -2.557 -3.113) 4.030 3.115 ( -9.154 -1.189 1.440) 9.343 3.590 ( 0.737 -13.293 9.567) 16.395 3.816 ( -4.687 -2.133 9.788) 11.060 3.981 ( 0.260 -4.393 3.512) 5.630 4.207 ( -2.664 -2.276 -2.287) 4.184 4.450 ( 0.192 -0.266 -3.849) 3.863 4.816 ( -0.439 -6.317 4.199) 7.598 5.214 ( -0.548 17.556 3.265) 17.866 5.428 ( 7.157 -0.918 -5.150) 8.865 5.639 ( -1.501 2.237 -3.720) 4.593 6.098 ( 3.065 -0.653 -2.428) 3.965 6.272 ( 2.679 -1.011 -1.904) 3.438 6.436 ( 0.970 -2.177 -1.608) 2.875 6.988 ( 0.098 1.351 2.201) 2.585 7.078 ( -1.065 4.592 -0.218) 4.719 7.485 ( -5.190 1.114 5.283) 7.489 7.828 ( 4.855 3.257 -0.511) 5.869 8.339 ( -0.886 1.642 -0.890) 2.067 8.469 ( 6.509 -0.089 -6.535) 9.223 8.622 ( 1.615 5.524 -1.236) 5.887 8.745 ( -1.562 1.528 -1.055) 2.427 8.929 ( 1.950 -1.785 -0.851) 2.777 9.015 ( -0.336 8.218 0.529) 8.242 9.188 ( -2.234 5.376 1.010) 5.909 9.305 ( -8.195 3.598 -0.863) 8.991 9.416 ( 4.702 -1.815 -1.939) 5.400 9.676 ( -1.607 3.042 -0.301) 3.454 9.760 ( -0.478 -3.917 2.649) 4.752 9.969 ( 2.561 -2.913 -2.596) 4.667 10.142 ( -2.239 -2.156 0.057) 3.109 10.273 ( 3.642 -9.861 -2.596) 10.827 10.365 ( 1.933 0.989 4.779) 5.249 10.495 ( -2.298 -1.491 -0.268) 2.752 10.628 ( -1.923 -2.278 2.373) 3.811 10.747 ( -0.871 -1.328 -1.221) 2.003 10.854 ( -1.302 -1.614 -0.760) 2.209 11.048 ( -1.615 -0.168 -2.003) 2.578 11.093 ( -0.571 -0.655 -1.767) 1.969 11.273 ( 0.207 -1.837 2.573) 3.168 11.389 ( -1.133 -6.694 1.449) 6.942 11.591 ( 1.219 3.729 0.593) 3.968 11.826 ( 3.293 6.075 0.461) 6.925 12.012 ( -2.308 -1.528 -6.287) 6.869 12.068 ( 1.302 -3.042 -0.052) 3.309 12.286 ( -0.313 -2.607 1.185) 2.881 12.437 ( 0.131 -0.182 3.438) 3.445 12.602 ( 0.259 -1.050 0.374) 1.145 12.719 ( 0.942 0.287 0.985) 1.393 12.825 ( -0.495 2.565 -4.478) 5.184 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -4.602 19.914 9.299) 22.455 1.968 ( -4.061 26.167 5.295) 27.004 2.352 ( 3.541 9.061 -2.289) 9.994 2.523 ( -0.235 16.553 -3.844) 16.995 2.769 ( -5.872 2.233 1.140) 6.385 3.099 ( -4.719 -2.411 -3.287) 6.236 3.840 ( -5.018 -7.610 9.535) 13.191 3.929 ( -2.091 -10.877 6.531) 12.859 4.142 ( 0.681 -9.700 6.241) 11.554 4.272 ( 2.595 -5.603 -1.476) 6.349 4.507 ( -0.330 -6.493 -0.489) 6.519 4.892 ( 0.912 11.919 5.049) 12.977 5.001 ( 0.399 -9.062 3.621) 9.767 5.510 ( 5.764 -2.378 -5.732) 8.470 5.568 ( 1.048 3.863 -1.741) 4.365 6.079 ( 0.598 2.971 -3.613) 4.716 6.278 ( 2.172 2.457 -5.738) 6.609 6.433 ( -2.053 1.133 -2.872) 3.707 6.929 ( -3.712 6.007 -0.757) 7.102 6.953 ( 2.813 6.389 2.990) 7.595 7.433 ( -3.540 2.116 5.222) 6.654 7.770 ( 2.741 5.259 -0.336) 5.940 8.270 ( 0.292 5.342 -0.469) 5.370 8.347 ( 1.597 12.471 -5.962) 13.914 8.539 ( 2.908 7.312 -1.202) 7.961 8.697 ( 2.995 4.259 -3.477) 6.261 8.835 ( 0.194 8.784 0.037) 8.786 8.913 ( 1.404 5.482 2.233) 6.084 9.052 ( -1.025 1.689 2.136) 2.910 9.231 ( -6.645 -0.012 3.228) 7.388 9.451 ( 0.753 0.111 -1.381) 1.577 9.577 ( 2.240 3.924 -2.593) 5.210 9.884 ( 0.198 -3.710 1.879) 4.163 10.051 ( -0.737 -7.401 0.519) 7.456 10.155 ( 1.109 0.361 -1.371) 1.800 10.324 ( -2.843 2.817 3.389) 5.245 10.471 ( 4.227 -4.603 1.923) 6.538 10.530 ( 4.083 -0.298 -3.548) 5.418 10.724 ( -2.035 -6.210 1.511) 6.707 10.806 ( -0.327 -4.352 0.152) 4.367 10.947 ( -0.282 -9.202 0.478) 9.219 10.998 ( -4.339 0.670 -1.820) 4.753 11.103 ( -0.783 -2.809 0.270) 2.929 11.328 ( -0.033 -0.254 -1.946) 1.962 11.484 ( -1.602 -5.675 1.449) 6.072 11.648 ( 0.518 -9.025 0.341) 9.046 11.742 ( 1.545 3.927 -0.085) 4.221 12.011 ( -1.118 -1.665 -5.136) 5.514 12.124 ( 0.106 -1.634 1.327) 2.108 12.344 ( 0.724 -2.450 0.176) 2.560 12.481 ( -0.127 -3.239 2.661) 4.194 12.607 ( -0.958 0.918 -3.354) 3.606 12.724 ( 2.451 1.076 -0.365) 2.701 12.786 ( -2.574 -2.656 -2.083) 4.245 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.626 26.661 12.251) 29.459 1.445 ( -2.458 26.654 14.279) 30.337 2.017 ( 5.696 27.950 8.959) 29.898 2.345 ( 4.600 4.089 -5.762) 8.431 2.658 ( -2.561 5.919 4.504) 7.866 3.070 ( -6.205 -1.427 -9.080) 11.090 3.932 ( -7.152 -5.529 7.578) 11.796 4.059 ( -3.469 -4.517 3.521) 6.696 4.335 ( -1.978 -6.981 3.513) 8.061 4.455 ( 1.816 -11.992 -0.665) 12.147 4.678 ( 1.541 -8.741 2.630) 9.257 4.810 ( 3.960 -1.332 4.819) 6.378 5.234 ( 1.891 -11.591 2.578) 12.024 5.493 ( 0.791 5.038 -0.088) 5.101 5.573 ( 3.117 -1.426 -2.560) 4.278 5.991 ( 0.819 5.529 -4.585) 7.229 6.156 ( 0.194 8.574 -8.842) 12.318 6.367 ( -2.223 1.854 -5.316) 6.053 6.759 ( -2.882 7.462 0.170) 8.001 6.873 ( 3.395 6.058 1.626) 7.132 7.381 ( -1.876 2.219 4.314) 5.201 7.705 ( 1.409 3.149 0.933) 3.573 8.063 ( 1.342 14.010 -0.428) 14.080 8.187 ( -0.123 5.007 -3.469) 6.093 8.396 ( 0.252 7.996 -0.732) 8.034 8.555 ( 2.043 9.438 -5.336) 11.032 8.678 ( -1.411 7.200 1.389) 7.468 8.901 ( 4.386 0.771 2.201) 4.967 9.020 ( -1.092 2.478 2.860) 3.939 9.237 ( -0.517 -2.556 4.568) 5.260 9.421 ( -6.575 -0.146 1.887) 6.842 9.580 ( 3.820 -1.281 -6.273) 7.455 9.941 ( -0.555 -2.955 0.541) 3.055 10.096 ( -2.386 2.625 0.039) 3.548 10.176 ( -0.815 -3.140 -1.033) 3.405 10.283 ( 0.514 2.226 3.074) 3.830 10.468 ( 2.065 3.727 -0.747) 4.326 10.579 ( 2.249 1.139 0.848) 2.659 10.794 ( -4.368 -3.697 1.000) 5.810 10.864 ( 1.662 -2.171 2.006) 3.391 10.968 ( -0.791 -0.892 -1.499) 1.916 11.122 ( 2.352 -6.449 -0.083) 6.865 11.227 ( -0.748 -7.020 -0.511) 7.078 11.296 ( -1.967 -2.624 -0.588) 3.332 11.611 ( 0.761 -5.478 -1.135) 5.646 11.721 ( 0.326 -1.399 2.451) 2.841 11.853 ( 1.370 -9.974 -1.158) 10.134 12.018 ( 0.855 -0.000 -2.170) 2.332 12.154 ( -0.175 -1.750 1.181) 2.119 12.367 ( 0.785 0.589 1.152) 1.513 12.536 ( -1.063 0.978 -4.966) 5.172 12.572 ( 1.145 -3.746 -2.492) 4.643 12.733 ( 3.470 -0.094 0.866) 3.578 12.858 ( -2.910 -6.453 -2.287) 7.439 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 23.683 0.000 16.116) 28.647 1.596 ( 21.586 0.000 19.543) 29.118 2.251 ( 3.491 0.000 -3.558) 4.985 2.554 ( -4.820 -0.000 -0.802) 4.886 2.593 ( 31.421 0.000 20.858) 37.714 2.876 ( 13.786 0.000 -9.644) 16.824 3.657 ( -17.212 -0.000 8.198) 19.065 4.078 ( -16.431 -0.000 -2.955) 16.695 4.192 ( 1.197 0.000 -1.118) 1.638 4.918 ( -4.546 -0.000 2.613) 5.244 4.922 ( 1.416 0.000 1.474) 2.044 5.062 ( -5.614 -0.000 -1.361) 5.776 5.119 ( -2.737 -0.000 -3.479) 4.426 5.330 ( -8.264 -0.000 6.175) 10.316 5.654 ( 8.094 0.000 -9.700) 12.634 5.725 ( -4.267 -0.000 3.125) 5.289 6.013 ( 4.383 0.000 -7.031) 8.285 6.402 ( 7.391 0.000 -2.352) 7.756 6.649 ( 2.230 0.000 -1.995) 2.992 6.716 ( -0.111 -0.000 -3.193) 3.195 7.334 ( 0.684 0.000 0.606) 0.913 7.621 ( -5.458 -0.000 0.835) 5.522 7.738 ( -1.142 -0.000 1.703) 2.050 8.027 ( -1.562 -0.000 2.954) 3.341 8.168 ( -0.791 -0.000 -2.338) 2.468 8.296 ( -1.052 -0.000 -1.042) 1.481 8.529 ( -1.045 -0.000 1.185) 1.580 8.781 ( -4.829 -0.000 2.547) 5.460 9.000 ( -5.393 -0.000 -1.906) 5.720 9.134 ( -2.598 -0.000 -1.463) 2.982 9.458 ( -8.747 -0.000 1.818) 8.934 9.483 ( 5.542 0.000 3.258) 6.429 9.633 ( -1.843 -0.000 -6.417) 6.677 9.943 ( -6.509 -0.000 -3.128) 7.222 10.209 ( -0.989 -0.000 3.219) 3.367 10.331 ( 2.251 0.000 -0.919) 2.431 10.481 ( 5.008 0.000 2.346) 5.530 10.594 ( 5.476 0.000 0.952) 5.559 10.786 ( -1.289 -0.000 -0.060) 1.290 10.987 ( 1.575 0.000 0.374) 1.619 11.095 ( -0.922 -0.000 1.985) 2.188 11.103 ( -0.884 -0.000 -1.127) 1.432 11.388 ( -3.161 -0.000 1.435) 3.472 11.627 ( 3.632 0.000 5.710) 6.767 11.655 ( 0.002 0.000 1.999) 1.999 11.845 ( 1.750 0.000 -0.575) 1.842 12.015 ( -6.096 -0.000 0.626) 6.128 12.101 ( 4.184 0.000 -2.608) 4.931 12.240 ( 1.222 0.000 0.185) 1.236 12.525 ( 9.601 0.000 -2.691) 9.971 12.637 ( 0.798 0.000 -6.478) 6.527 12.647 ( 3.631 0.000 -0.338) 3.646 12.909 ( 4.499 0.000 -5.539) 7.136 13.079 ( 2.924 0.000 -1.898) 3.486 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 20.175 -1.972 8.644) 22.037 1.922 ( 19.441 -5.985 18.134) 27.251 2.294 ( 3.991 -1.929 -2.404) 5.042 2.535 ( -1.771 -2.734 -0.493) 3.294 2.828 ( 15.508 2.629 2.597) 15.942 3.062 ( 11.589 -4.312 -1.719) 12.484 3.518 ( -12.208 2.674 8.612) 15.178 3.970 ( -12.396 -3.724 1.749) 13.061 4.166 ( 1.137 2.555 -0.518) 2.844 4.733 ( -2.683 11.216 -0.546) 11.546 4.861 ( -0.552 5.388 1.276) 5.564 4.976 ( -6.966 2.637 -0.867) 7.499 5.141 ( -3.722 0.084 2.345) 4.400 5.327 ( -4.769 -4.422 6.783) 9.397 5.683 ( 0.771 -2.204 -7.383) 7.743 5.797 ( 2.330 -6.940 -2.605) 7.771 6.059 ( 4.420 -3.067 -6.188) 8.199 6.419 ( 6.352 5.009 -4.368) 9.193 6.657 ( 2.848 -3.477 1.067) 4.619 6.805 ( 1.057 -6.460 -2.919) 7.168 7.392 ( 2.010 -4.337 0.123) 4.782 7.585 ( -7.110 -1.467 2.962) 7.841 7.810 ( -0.695 -7.793 1.106) 7.902 8.094 ( -1.070 -6.993 2.632) 7.549 8.189 ( -0.040 -3.914 -2.336) 4.558 8.338 ( -1.798 -4.869 0.611) 5.226 8.542 ( -4.524 -3.299 1.504) 5.797 8.787 ( -0.107 -2.293 -0.702) 2.400 8.984 ( -8.134 -5.479 -2.856) 10.215 9.102 ( -3.341 0.108 -1.808) 3.800 9.360 ( -2.532 2.946 0.125) 3.887 9.567 ( 2.020 -1.492 0.663) 2.597 9.618 ( 0.358 -1.278 -1.484) 1.990 9.897 ( -6.070 -1.777 -2.686) 6.872 10.209 ( -1.706 -0.091 1.446) 2.239 10.387 ( -0.221 -4.610 -2.370) 5.188 10.527 ( 6.243 1.601 3.625) 7.395 10.621 ( 2.473 1.321 1.732) 3.295 10.781 ( -0.177 -0.374 0.576) 0.709 10.944 ( -3.310 3.982 -1.311) 5.342 11.064 ( 2.626 2.178 1.682) 3.804 11.111 ( -0.142 0.689 0.130) 0.716 11.344 ( -6.144 0.968 3.021) 6.915 11.596 ( 1.107 5.494 1.611) 5.831 11.659 ( 0.055 2.162 1.767) 2.793 11.850 ( 1.896 1.442 0.935) 2.559 11.938 ( -0.955 3.385 1.318) 3.756 12.100 ( 2.920 2.290 -3.192) 4.894 12.227 ( 0.376 1.829 -0.219) 1.881 12.521 ( 1.702 6.084 -4.666) 7.854 12.625 ( 5.379 1.749 0.239) 5.661 12.676 ( 5.014 0.488 -1.777) 5.342 12.885 ( 5.218 5.568 -4.301) 8.759 13.056 ( 4.696 3.772 -2.044) 6.361 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 12.623 -6.090 2.940) 14.321 2.235 ( 14.475 -6.073 14.514) 21.379 2.355 ( 3.422 -2.043 -2.922) 4.942 2.632 ( 2.592 -5.539 3.585) 7.089 2.852 ( 3.443 2.525 -2.318) 4.858 3.081 ( -2.180 2.268 -2.142) 3.806 3.419 ( -8.123 1.088 4.772) 9.483 3.955 ( -5.989 0.789 6.457) 8.842 4.143 ( -0.250 2.224 2.500) 3.355 4.493 ( -2.576 10.992 -0.645) 11.308 4.730 ( -2.638 7.439 -4.224) 8.952 4.911 ( -1.949 1.736 4.823) 5.484 5.119 ( 3.462 -0.702 5.344) 6.406 5.406 ( -5.572 -6.822 2.400) 9.130 5.720 ( 1.188 -3.170 -5.278) 6.271 5.959 ( 2.938 -7.962 -6.338) 10.593 6.154 ( 4.659 -3.705 -3.597) 6.955 6.327 ( 4.735 6.965 -3.816) 9.246 6.818 ( 4.597 -7.537 1.687) 8.988 6.923 ( -0.112 -6.190 -2.045) 6.520 7.474 ( -4.042 -2.888 2.417) 5.525 7.608 ( -0.413 -5.195 2.406) 5.740 8.013 ( -0.788 -13.077 1.438) 13.180 8.247 ( 2.652 -6.307 -2.289) 7.215 8.305 ( -2.514 -9.730 -0.074) 10.050 8.447 ( -1.915 -8.919 2.210) 9.386 8.597 ( -4.058 -6.955 0.181) 8.054 8.843 ( -0.517 -3.527 -3.129) 4.743 9.031 ( -3.662 -5.314 -3.627) 7.403 9.089 ( -2.668 -2.829 -1.258) 4.088 9.317 ( -1.911 -0.970 -1.627) 2.691 9.579 ( -0.091 -1.026 -0.319) 1.078 9.687 ( 1.384 -3.697 1.057) 4.086 9.881 ( -5.399 -2.023 -1.379) 5.928 10.172 ( -2.376 2.572 0.757) 3.583 10.432 ( -1.132 0.011 -3.282) 3.472 10.535 ( 3.983 2.555 0.896) 4.816 10.633 ( 0.860 -0.109 3.032) 3.154 10.755 ( -2.600 4.645 1.774) 5.611 10.829 ( -0.909 2.978 -0.900) 3.242 11.044 ( 3.506 3.696 0.639) 5.135 11.083 ( -0.237 1.670 0.398) 1.733 11.269 ( -5.844 2.493 3.594) 7.299 11.456 ( 0.376 9.426 -0.076) 9.433 11.571 ( -3.523 5.060 -0.114) 6.167 11.805 ( 0.998 4.055 -1.634) 4.484 11.929 ( 5.621 1.522 4.608) 7.426 12.064 ( 4.264 3.239 -4.467) 6.973 12.184 ( 1.375 3.860 2.500) 4.800 12.381 ( -2.510 5.299 -3.154) 6.658 12.601 ( 1.390 4.484 2.160) 5.167 12.694 ( 4.716 2.690 -2.036) 5.798 12.800 ( 6.042 6.039 -1.696) 8.710 13.014 ( 4.350 4.153 -3.497) 6.957 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 4.963 -2.833 2.842) 6.383 2.402 ( 0.258 -5.355 -2.430) 5.886 2.513 ( 9.639 -6.935 6.759) 13.664 2.737 ( 1.634 -0.977 3.060) 3.603 2.842 ( 2.049 -0.723 -0.829) 2.325 3.023 ( -2.918 1.406 2.744) 4.245 3.364 ( -5.981 -0.642 4.057) 7.256 3.880 ( -7.371 3.115 9.253) 12.233 4.053 ( -1.629 5.799 3.981) 7.220 4.287 ( -2.601 7.682 -1.176) 8.195 4.579 ( -0.404 5.029 -5.553) 7.502 4.810 ( -3.152 6.162 6.457) 9.465 5.244 ( 5.677 -4.354 -3.324) 7.889 5.504 ( -5.155 -7.658 -2.297) 9.512 5.784 ( 3.994 0.208 -1.003) 4.123 6.060 ( 5.308 -0.089 -2.781) 5.993 6.219 ( -0.056 -0.966 -2.400) 2.588 6.291 ( 5.347 -2.207 -2.954) 6.495 6.955 ( 1.528 -2.781 1.497) 3.509 7.043 ( 0.974 -6.385 -0.764) 6.504 7.470 ( -6.738 -1.612 5.084) 8.594 7.754 ( 4.368 -6.412 -0.102) 7.759 8.236 ( -0.334 -8.666 1.168) 8.751 8.339 ( 0.308 -4.204 -2.031) 4.679 8.494 ( 1.667 -10.889 -0.615) 11.032 8.647 ( -1.139 -9.827 -0.584) 9.910 8.755 ( 0.288 -9.658 -0.689) 9.687 8.883 ( -4.341 -7.206 -2.526) 8.784 9.069 ( 0.086 -1.557 -3.600) 3.923 9.181 ( 1.398 -7.194 -0.458) 7.343 9.331 ( -4.936 -2.769 -2.784) 6.307 9.655 ( 0.256 -7.682 -0.336) 7.694 9.749 ( -2.215 -1.656 0.957) 2.927 9.860 ( -2.647 -0.251 -1.214) 2.923 10.100 ( -0.211 3.719 1.157) 3.901 10.331 ( -3.376 7.207 -1.023) 8.024 10.479 ( 4.442 6.937 -1.497) 8.372 10.606 ( -3.155 1.596 -1.530) 3.852 10.670 ( -2.159 1.435 2.674) 3.725 10.783 ( 0.433 3.538 1.500) 3.867 10.979 ( -0.035 5.736 1.128) 5.846 11.047 ( 0.448 1.623 0.016) 1.684 11.187 ( -1.895 2.743 1.755) 3.768 11.296 ( 3.246 7.942 1.549) 8.718 11.444 ( -3.575 4.726 0.212) 5.930 11.740 ( 2.151 3.169 -2.265) 4.450 11.948 ( 1.044 1.910 4.236) 4.762 12.027 ( 3.657 1.893 -7.506) 8.561 12.132 ( 4.412 5.249 3.177) 7.557 12.285 ( -2.620 2.284 1.230) 3.687 12.508 ( -1.665 4.623 1.135) 5.043 12.646 ( 2.423 3.945 -0.394) 4.646 12.767 ( 3.114 2.611 0.588) 4.106 12.955 ( 3.400 4.139 -4.684) 7.115 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.745 4.447 1.968) 4.920 2.528 ( -0.260 -7.133 -1.751) 7.349 2.675 ( -0.294 2.992 -0.142) 3.010 2.733 ( 2.709 0.683 2.848) 3.989 2.835 ( 8.155 7.068 3.313) 11.289 2.989 ( -9.786 -2.975 2.335) 10.491 3.408 ( -2.273 -7.271 7.795) 10.899 3.787 ( -7.325 1.857 8.043) 11.036 3.976 ( 0.169 2.307 4.501) 5.061 4.179 ( -0.787 1.398 0.630) 1.724 4.484 ( 1.413 4.118 -4.953) 6.594 4.742 ( -2.491 -0.930 5.138) 5.786 5.340 ( 4.216 -2.909 -8.062) 9.552 5.530 ( -4.099 2.164 -6.511) 7.992 5.702 ( 3.099 8.407 5.734) 10.638 6.089 ( 1.542 -1.251 -3.849) 4.331 6.250 ( 0.482 -2.008 -0.167) 2.072 6.393 ( 3.592 -3.588 -2.609) 5.708 6.991 ( -0.710 -0.733 1.622) 1.916 7.118 ( 0.257 -0.520 -0.284) 0.645 7.465 ( -3.737 -0.871 5.708) 6.877 7.876 ( 3.142 -2.204 -1.330) 4.062 8.325 ( -0.179 -2.176 -0.714) 2.297 8.453 ( 4.940 -5.486 -1.488) 7.531 8.669 ( -1.865 -4.795 -1.067) 5.255 8.712 ( 0.434 0.673 -3.827) 3.910 8.869 ( 2.096 -5.792 -0.252) 6.165 9.073 ( -0.547 -3.406 -2.124) 4.051 9.125 ( -1.177 -6.827 1.963) 7.200 9.279 ( -2.552 -2.597 -2.600) 4.474 9.365 ( 0.641 -7.017 -1.409) 7.185 9.686 ( -4.474 6.443 1.906) 8.072 9.800 ( 0.081 -4.378 -3.797) 5.795 9.855 ( -0.088 -2.309 -2.448) 3.366 10.062 ( 0.174 -2.288 2.273) 3.230 10.207 ( -0.115 1.765 -0.061) 1.770 10.425 ( 1.605 0.308 -1.026) 1.930 10.500 ( -0.718 6.236 2.332) 6.696 10.662 ( -0.823 1.472 0.433) 1.741 10.703 ( -1.110 1.832 1.728) 2.752 10.871 ( -0.927 3.788 0.983) 4.022 11.054 ( 0.916 -0.980 -1.161) 1.774 11.105 ( 0.755 4.813 -1.487) 5.093 11.273 ( 2.090 -1.142 1.986) 3.101 11.337 ( -3.107 3.453 2.337) 5.200 11.688 ( 1.790 4.481 -0.433) 4.844 11.923 ( -2.005 -0.857 -2.807) 3.554 12.007 ( 1.389 5.527 -4.037) 6.984 12.060 ( 3.462 1.888 0.724) 4.009 12.257 ( -1.128 0.101 2.788) 3.009 12.448 ( -1.003 0.648 2.194) 2.498 12.608 ( 0.721 1.456 0.898) 1.857 12.736 ( -1.002 1.840 0.779) 2.235 12.894 ( 3.263 3.875 -4.404) 6.712 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.940 10.632 5.328) 11.929 2.417 ( -0.256 20.971 2.043) 21.072 2.574 ( 4.239 9.929 0.157) 10.797 2.656 ( -3.862 -2.373 0.162) 4.535 2.814 ( 2.346 5.900 -1.834) 6.609 2.987 ( -4.514 -3.108 -2.034) 5.846 3.601 ( -5.668 -11.433 5.839) 14.033 3.782 ( -3.644 -5.240 10.123) 11.967 4.019 ( 0.314 -5.074 4.293) 6.653 4.222 ( 3.831 -3.290 2.803) 5.776 4.432 ( 0.163 0.051 -3.839) 3.843 4.834 ( -0.161 -7.872 4.334) 8.987 5.225 ( -0.411 16.360 3.506) 16.737 5.449 ( -0.890 -3.042 -7.452) 8.098 5.665 ( 5.671 2.847 0.734) 6.388 6.095 ( -1.172 -0.367 -4.571) 4.733 6.274 ( -1.116 -0.993 -2.734) 3.115 6.436 ( 0.550 0.459 -3.060) 3.143 6.973 ( -2.484 2.178 0.832) 3.406 7.084 ( 1.218 3.890 0.688) 4.134 7.460 ( -1.451 1.108 5.959) 6.232 7.873 ( 0.557 3.349 -1.009) 3.542 8.332 ( 0.786 1.542 -0.894) 1.948 8.540 ( 5.151 4.867 -6.523) 9.632 8.644 ( 0.873 -0.310 -0.876) 1.275 8.716 ( -0.376 0.095 -1.032) 1.103 8.948 ( -2.749 1.147 -0.806) 3.086 9.012 ( 0.103 4.818 0.981) 4.918 9.118 ( -1.168 3.914 1.536) 4.364 9.258 ( 1.436 7.013 1.367) 7.287 9.449 ( -0.022 -1.012 -4.088) 4.212 9.655 ( 1.425 -2.280 -2.133) 3.432 9.761 ( -1.665 -2.739 5.301) 6.195 9.965 ( -0.872 -3.297 -2.688) 4.343 10.128 ( 0.593 -4.145 -1.786) 4.553 10.292 ( -0.581 -9.020 1.341) 9.138 10.418 ( 0.584 3.753 3.648) 5.266 10.499 ( 2.578 -5.124 -1.748) 5.997 10.619 ( -0.667 -1.638 4.060) 4.429 10.745 ( 1.244 -3.190 -0.087) 3.425 10.848 ( 1.179 -1.419 -0.341) 1.877 11.014 ( -0.831 3.870 -2.508) 4.686 11.084 ( 1.189 -0.839 -2.065) 2.526 11.280 ( -1.412 -1.155 3.087) 3.585 11.358 ( -2.694 -5.559 -0.132) 6.178 11.613 ( 0.531 3.164 0.924) 3.338 11.861 ( 0.456 6.921 -1.441) 7.084 11.931 ( -0.876 -2.621 -6.715) 7.262 12.108 ( 1.645 -1.544 1.324) 2.616 12.282 ( -0.323 -3.410 1.139) 3.610 12.457 ( -0.528 -0.661 3.070) 3.184 12.602 ( -0.367 -0.039 -0.707) 0.798 12.692 ( -3.199 0.442 -0.324) 3.246 12.840 ( 3.743 3.692 -2.634) 5.880 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.956 19.047 11.075) 22.053 1.964 ( 0.029 25.910 5.679) 26.525 2.401 ( 2.465 10.262 -1.706) 10.691 2.574 ( 5.132 10.977 -0.873) 12.149 2.752 ( 4.993 3.101 0.208) 5.881 2.969 ( -4.091 -0.791 -8.721) 9.665 3.724 ( -10.986 -8.428 3.784) 14.354 3.941 ( -2.300 -7.812 8.723) 11.934 4.165 ( -3.028 -8.212 8.182) 11.981 4.332 ( 3.316 -4.144 -1.388) 5.486 4.509 ( 1.249 -8.601 1.373) 8.799 4.944 ( -0.823 7.138 6.232) 9.512 5.054 ( 3.537 -7.076 3.842) 8.794 5.481 ( -2.402 -2.840 -2.203) 4.323 5.654 ( 5.637 3.725 -1.032) 6.834 6.059 ( 0.725 2.178 -4.810) 5.330 6.242 ( -2.372 1.992 -6.447) 7.153 6.371 ( -1.360 3.782 -6.074) 7.283 6.867 ( -2.859 6.140 0.698) 6.808 7.016 ( 2.429 5.366 0.846) 5.951 7.435 ( 0.279 2.634 5.391) 6.006 7.787 ( -1.128 4.532 0.840) 4.745 8.272 ( 0.422 5.175 -1.247) 5.340 8.359 ( 3.173 13.489 -4.504) 14.571 8.565 ( 0.249 9.018 -0.618) 9.043 8.703 ( -0.808 4.358 -2.699) 5.189 8.816 ( -2.261 7.219 -0.940) 7.623 8.917 ( -1.365 2.296 2.780) 3.855 9.053 ( 0.223 1.554 -0.515) 1.652 9.224 ( 3.416 0.636 4.931) 6.033 9.429 ( -2.563 1.781 -0.983) 3.272 9.591 ( 1.852 3.424 -3.815) 5.450 9.897 ( 0.211 -3.454 2.507) 4.273 10.026 ( -2.874 -5.954 1.462) 6.771 10.178 ( 2.356 0.706 -3.054) 3.922 10.298 ( -3.094 1.141 4.117) 5.275 10.514 ( 0.741 -3.530 0.150) 3.610 10.591 ( 2.770 -2.930 -0.607) 4.078 10.688 ( -1.489 -4.114 0.891) 4.465 10.822 ( 0.837 -3.220 0.517) 3.367 10.929 ( -0.637 -1.402 -2.740) 3.143 10.977 ( 2.110 -7.550 0.336) 7.846 11.131 ( 3.161 -2.647 1.680) 4.452 11.303 ( 0.260 1.269 -1.341) 1.864 11.442 ( -4.184 -8.561 0.829) 9.565 11.660 ( 0.510 -7.092 0.629) 7.138 11.781 ( 2.400 2.207 -0.717) 3.338 11.967 ( 0.151 -3.433 -6.551) 7.397 12.138 ( -0.376 -0.973 2.935) 3.114 12.369 ( 2.128 -3.355 0.198) 3.978 12.470 ( -1.954 -1.451 1.322) 2.770 12.573 ( -0.293 1.454 -3.613) 3.905 12.690 ( -3.288 -3.226 -1.365) 4.805 12.820 ( 4.774 1.255 -0.873) 5.013 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 17.430 0.000 8.491) 19.388 2.045 ( 18.916 0.000 7.980) 20.530 2.309 ( 4.936 0.000 3.497) 6.050 2.495 ( 1.014 0.000 -0.843) 1.319 3.000 ( 1.364 0.000 4.167) 4.384 3.111 ( 14.080 0.000 -2.246) 14.258 3.531 ( -0.413 -0.000 12.582) 12.589 3.760 ( -16.781 -0.000 -2.634) 16.986 4.201 ( 0.889 0.000 -1.620) 1.848 4.820 ( -6.861 -0.000 -0.029) 6.861 4.896 ( -5.905 -0.000 -2.384) 6.368 4.991 ( 1.261 0.000 1.746) 2.154 5.041 ( -3.083 -0.000 -6.193) 6.918 5.277 ( -4.094 -0.000 8.601) 9.525 5.670 ( -5.085 -0.000 6.340) 8.128 5.735 ( 7.056 0.000 -7.553) 10.336 6.039 ( 4.169 0.000 -7.601) 8.669 6.500 ( 4.836 0.000 -2.114) 5.278 6.701 ( -0.048 -0.000 -1.495) 1.496 6.703 ( 5.770 0.000 -3.294) 6.644 7.359 ( 1.713 0.000 -0.123) 1.718 7.508 ( -8.412 -0.000 2.832) 8.876 7.747 ( 1.202 0.000 1.038) 1.588 8.008 ( -2.451 -0.000 2.828) 3.742 8.162 ( 1.081 0.000 0.077) 1.083 8.282 ( -0.068 -0.000 0.086) 0.109 8.465 ( -6.996 -0.000 3.484) 7.816 8.784 ( 3.970 0.000 -1.887) 4.396 8.835 ( -10.108 -0.000 -2.171) 10.339 9.056 ( -5.982 -0.000 -0.693) 6.021 9.367 ( -0.802 -0.000 -4.772) 4.839 9.583 ( 3.750 0.000 0.973) 3.875 9.618 ( 1.087 0.000 0.344) 1.141 9.825 ( -4.482 -0.000 -2.422) 5.095 10.203 ( -1.499 -0.000 1.895) 2.416 10.311 ( -0.846 -0.000 -6.323) 6.380 10.608 ( 4.411 0.000 8.405) 9.492 10.689 ( 4.414 0.000 2.033) 4.860 10.758 ( -0.461 -0.000 -2.669) 2.708 10.949 ( -4.117 -0.000 -1.958) 4.559 11.091 ( 0.095 0.000 -0.148) 0.176 11.136 ( 1.690 0.000 4.326) 4.645 11.302 ( -7.069 -0.000 3.127) 7.730 11.642 ( -1.206 -0.000 -0.710) 1.400 11.696 ( -1.261 -0.000 3.027) 3.279 11.873 ( 1.114 0.000 1.343) 1.745 11.977 ( 1.215 0.000 3.136) 3.363 12.121 ( 1.281 0.000 -4.555) 4.732 12.238 ( -0.841 -0.000 -1.180) 1.449 12.652 ( 4.230 0.000 -2.748) 5.044 12.663 ( 7.088 0.000 -2.954) 7.679 12.705 ( 3.115 0.000 1.075) 3.295 12.974 ( 5.801 0.000 -4.269) 7.202 13.127 ( 3.989 0.000 -2.766) 4.854 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 11.046 0.924 -0.840) 11.117 2.272 ( 8.525 -4.675 2.255) 9.981 2.390 ( 7.736 -0.756 8.770) 11.719 2.575 ( 5.491 -4.527 4.241) 8.284 2.922 ( -6.335 4.595 1.283) 7.931 3.139 ( 2.330 5.157 1.621) 5.886 3.417 ( -5.224 4.947 3.868) 8.168 3.862 ( -2.901 -9.242 3.721) 10.377 4.182 ( 1.096 1.565 -1.205) 2.258 4.657 ( -3.751 8.851 -3.558) 10.250 4.848 ( -1.463 6.421 -2.246) 6.958 4.878 ( -3.758 -0.925 -0.185) 3.874 5.133 ( -0.090 -3.958 4.945) 6.335 5.290 ( -3.659 -2.235 5.172) 6.719 5.626 ( -2.166 -1.067 -2.842) 3.729 5.850 ( 4.582 -5.951 -2.554) 7.933 6.099 ( 4.342 -4.084 -5.448) 8.075 6.487 ( 4.022 5.310 -3.298) 7.433 6.714 ( 2.168 -5.257 -0.137) 5.688 6.821 ( 3.090 -5.109 -2.766) 6.581 7.398 ( -3.132 -2.007 1.344) 3.955 7.498 ( -3.126 -5.384 2.541) 6.724 7.823 ( 1.280 -6.642 1.013) 6.840 8.080 ( -2.315 -8.674 1.674) 9.132 8.194 ( 2.073 -2.017 -0.042) 2.892 8.330 ( -0.090 -4.213 1.484) 4.468 8.453 ( -5.685 -3.910 2.643) 7.389 8.761 ( -6.266 -1.762 -2.443) 6.952 8.872 ( 1.453 -5.526 -2.170) 6.112 9.023 ( -4.406 -2.131 -0.530) 4.922 9.329 ( 1.088 2.169 -5.665) 6.163 9.601 ( 1.962 1.438 1.077) 2.660 9.638 ( 0.204 -1.966 -1.275) 2.352 9.806 ( -2.437 -1.434 -0.418) 2.859 10.183 ( -1.545 0.807 -0.030) 1.743 10.338 ( -1.541 -4.546 -5.647) 7.411 10.621 ( -0.732 2.902 5.003) 5.830 10.699 ( 5.569 1.873 4.121) 7.176 10.787 ( 0.688 -0.398 -1.165) 1.410 10.867 ( -2.537 3.117 -3.202) 5.139 11.097 ( 0.241 0.133 0.501) 0.572 11.135 ( 0.734 2.349 4.107) 4.787 11.247 ( -6.617 0.554 3.895) 7.698 11.584 ( -1.122 4.761 -1.215) 5.040 11.645 ( -2.293 3.868 2.230) 5.019 11.861 ( -0.386 2.394 0.025) 2.425 11.994 ( 2.174 0.304 1.874) 2.886 12.111 ( 1.279 0.937 -4.550) 4.819 12.233 ( 1.026 0.105 1.901) 2.163 12.540 ( 3.215 10.142 -1.443) 10.736 12.700 ( 2.221 2.979 0.514) 3.751 12.755 ( 4.455 -0.236 -1.313) 4.650 12.957 ( 5.079 5.295 -2.869) 7.878 13.117 ( 3.953 3.318 -3.641) 6.316 ======================= Grid point 117 (52/140) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.117 -3.709 -2.537) 6.094 2.353 ( 0.649 -0.945 -1.098) 1.587 2.526 ( 5.522 -3.188 6.855) 9.362 2.681 ( -6.322 -2.730 0.856) 6.939 2.829 ( 4.176 0.335 5.569) 6.968 3.076 ( -0.533 1.860 7.802) 8.039 3.350 ( -1.502 1.823 2.777) 3.646 3.898 ( -4.550 1.641 5.446) 7.283 4.149 ( 0.245 3.391 0.375) 3.420 4.443 ( -1.493 10.109 -2.411) 10.499 4.682 ( -0.078 7.532 -2.717) 8.007 4.878 ( -3.493 0.962 1.889) 4.086 5.211 ( -0.883 -2.786 0.770) 3.023 5.324 ( -2.154 -4.621 2.659) 5.750 5.696 ( 0.322 -7.517 -7.504) 10.626 6.005 ( 4.331 -6.730 -1.632) 8.168 6.198 ( 2.857 -3.500 -3.602) 5.778 6.387 ( 3.871 6.888 -1.532) 8.048 6.878 ( 0.079 -8.758 -1.380) 8.866 6.924 ( 2.319 -4.379 -0.037) 4.955 7.397 ( -5.177 -2.047 4.773) 7.333 7.639 ( 1.607 -8.039 -0.091) 8.199 8.023 ( 0.340 -12.326 1.827) 12.465 8.235 ( -2.421 -7.208 -1.524) 7.755 8.311 ( 2.083 -9.431 0.598) 9.677 8.448 ( 1.936 -8.417 0.882) 8.681 8.542 ( -2.648 -8.591 2.040) 9.218 8.749 ( -5.350 -2.890 -2.828) 6.706 8.999 ( 1.002 -6.541 -4.101) 7.785 9.077 ( 1.002 -5.447 0.744) 5.588 9.282 ( 0.263 1.393 -4.417) 4.639 9.593 ( 0.550 0.344 1.975) 2.078 9.674 ( -1.751 -3.078 -4.050) 5.380 9.823 ( -0.601 -1.398 -0.097) 1.525 10.145 ( -1.094 1.887 0.846) 2.339 10.373 ( -1.404 -1.142 -4.733) 5.067 10.579 ( -0.822 1.528 1.102) 2.055 10.651 ( -3.435 6.223 1.845) 7.343 10.732 ( 3.368 4.666 -1.295) 5.898 10.844 ( 2.832 1.244 0.377) 3.116 11.063 ( -2.996 3.449 2.620) 5.267 11.102 ( 1.377 2.356 1.565) 3.146 11.203 ( -3.373 0.596 3.329) 4.776 11.461 ( 0.187 6.609 0.225) 6.615 11.540 ( -0.493 6.519 2.719) 7.080 11.797 ( -0.167 2.914 -2.037) 3.559 11.994 ( -1.109 1.226 0.880) 1.873 12.078 ( 2.621 2.722 -4.659) 5.999 12.260 ( 0.806 -0.551 3.491) 3.625 12.356 ( 2.581 10.654 0.835) 10.994 12.620 ( -0.458 6.338 1.435) 6.515 12.745 ( 2.384 3.644 -1.239) 4.527 12.871 ( 2.663 5.976 -1.025) 6.622 13.056 ( 3.131 4.670 -4.727) 7.346 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -1.617 -1.459 0.468) 2.228 2.372 ( -1.494 -4.704 -3.233) 5.900 2.600 ( -4.791 -4.715 2.908) 7.324 2.723 ( -2.622 -5.681 2.097) 6.599 2.924 ( 3.979 -0.567 5.797) 7.054 3.057 ( 4.541 5.772 5.722) 9.310 3.338 ( -0.332 -1.185 6.886) 6.995 3.813 ( -4.963 4.261 6.707) 9.369 4.073 ( -0.094 5.186 5.006) 7.209 4.257 ( 0.672 6.991 -1.316) 7.145 4.575 ( 2.979 4.527 -3.812) 6.626 4.779 ( -3.539 5.470 4.178) 7.740 5.242 ( -3.030 -5.034 -9.079) 10.815 5.440 ( 0.221 -5.799 0.244) 5.808 5.778 ( -2.500 -3.052 -6.452) 7.562 6.105 ( 0.675 0.898 -2.128) 2.406 6.230 ( 2.111 -0.031 -0.498) 2.169 6.359 ( 3.639 -1.666 -0.646) 4.054 6.960 ( -1.334 -2.591 0.509) 2.958 7.056 ( 0.599 -5.685 -0.292) 5.724 7.426 ( -1.894 -2.398 5.676) 6.446 7.794 ( 0.256 -6.910 -1.091) 7.001 8.230 ( -1.320 -8.159 0.742) 8.298 8.353 ( 1.792 -6.873 -0.208) 7.106 8.514 ( 0.462 -9.446 0.307) 9.462 8.650 ( 0.010 -8.744 -2.254) 9.030 8.752 ( 2.321 -6.951 -3.592) 8.161 8.798 ( -1.246 -13.931 0.791) 14.008 9.088 ( 3.719 -2.524 -0.325) 4.507 9.210 ( -1.702 -5.280 -0.377) 5.560 9.275 ( 2.986 -2.024 -2.923) 4.643 9.620 ( -4.341 -4.033 -2.054) 6.271 9.709 ( -0.297 -3.788 -1.455) 4.069 9.833 ( 0.977 0.400 -3.571) 3.724 10.113 ( 0.010 1.944 3.501) 4.004 10.299 ( 0.624 6.609 -1.454) 6.796 10.524 ( -0.854 4.895 -2.600) 5.608 10.536 ( 0.032 3.126 -1.230) 3.359 10.656 ( -1.771 1.563 2.137) 3.186 10.824 ( 3.176 5.318 0.946) 6.266 10.952 ( -3.295 4.426 3.824) 6.714 11.076 ( 1.981 2.529 -0.499) 3.251 11.171 ( -1.042 1.871 0.779) 2.279 11.353 ( 0.975 5.883 2.703) 6.547 11.421 ( 0.442 6.409 3.005) 7.093 11.757 ( 1.316 1.471 -2.506) 3.189 11.918 ( -3.635 3.738 -1.143) 5.338 12.047 ( 1.992 1.192 -3.363) 4.087 12.189 ( -1.103 6.666 0.369) 6.766 12.285 ( 0.951 1.913 4.235) 4.743 12.495 ( -0.464 5.272 1.175) 5.422 12.676 ( 1.045 4.324 0.203) 4.453 12.782 ( -1.280 4.012 -0.046) 4.212 12.981 ( 2.434 4.009 -4.509) 6.506 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.042 3.562 2.658) 4.891 2.484 ( -2.626 -8.322 -3.664) 9.464 2.672 ( -3.476 -2.849 0.911) 4.586 2.761 ( -0.575 2.001 2.068) 2.934 2.813 ( -5.410 9.488 3.365) 11.428 3.051 ( 9.031 3.896 3.880) 10.573 3.431 ( -0.120 -5.160 7.352) 8.983 3.735 ( -3.621 0.916 8.806) 9.565 3.995 ( -1.134 2.142 4.438) 5.057 4.233 ( 5.386 -0.728 2.263) 5.887 4.483 ( 0.576 5.848 -5.014) 7.725 4.737 ( -0.604 -2.743 3.826) 4.746 5.296 ( -2.345 -5.397 -9.106) 10.842 5.461 ( -1.139 4.534 -2.380) 5.246 5.758 ( -0.837 0.731 0.842) 1.394 6.048 ( -0.525 1.171 -3.486) 3.715 6.242 ( -1.512 -0.279 -1.802) 2.369 6.425 ( 1.255 -1.683 -1.330) 2.486 6.979 ( -1.598 -0.235 1.464) 2.180 7.116 ( -0.105 -0.883 -0.417) 0.982 7.476 ( 0.625 -1.204 5.823) 5.979 7.871 ( -2.927 -2.393 -0.896) 3.885 8.329 ( 0.897 -2.962 -0.609) 3.154 8.497 ( -0.958 -6.586 0.151) 6.657 8.627 ( 0.625 -2.496 -2.600) 3.658 8.717 ( 1.096 -0.826 -4.287) 4.501 8.889 ( 1.794 -5.096 0.038) 5.403 9.055 ( 1.545 -6.319 -1.275) 6.629 9.171 ( -1.637 1.821 1.526) 2.885 9.244 ( 4.570 -7.901 -0.449) 9.139 9.412 ( 4.307 -4.279 -1.017) 6.156 9.621 ( -2.121 0.183 -1.736) 2.747 9.758 ( -2.107 -2.533 -2.977) 4.440 9.846 ( 1.191 -3.453 -3.906) 5.348 10.093 ( 1.213 2.130 2.420) 3.444 10.201 ( -0.249 1.328 1.134) 1.764 10.452 ( 2.390 -0.770 -0.941) 2.682 10.497 ( -1.997 2.345 0.736) 3.167 10.661 ( 0.018 -0.301 0.524) 0.605 10.724 ( 2.082 4.180 3.500) 5.836 10.892 ( 2.111 2.988 1.690) 4.030 11.051 ( -0.326 0.626 -1.468) 1.629 11.103 ( 0.526 3.584 -1.907) 4.094 11.286 ( -2.819 1.764 3.122) 4.561 11.329 ( 1.051 4.368 1.903) 4.879 11.699 ( -0.626 4.618 -0.214) 4.665 11.856 ( -2.031 -0.739 -4.212) 4.734 11.990 ( -0.474 5.259 -3.478) 6.323 12.107 ( -0.202 0.878 1.320) 1.598 12.258 ( 0.260 0.822 3.212) 3.326 12.452 ( -0.122 0.234 0.917) 0.954 12.617 ( -0.138 2.301 0.516) 2.362 12.699 ( -2.831 2.631 -0.255) 3.873 12.923 ( 1.993 3.090 -2.725) 4.577 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.471 8.179 6.416) 10.405 2.419 ( -0.034 18.700 0.466) 18.706 2.571 ( -3.380 5.240 0.902) 6.301 2.654 ( 2.291 1.311 0.910) 2.792 2.784 ( -3.342 -2.238 -3.782) 5.521 3.033 ( 8.698 5.692 -1.140) 10.458 3.525 ( -4.484 -4.866 4.080) 7.774 3.800 ( -3.040 -6.464 12.488) 14.386 4.039 ( -1.400 -5.592 5.209) 7.769 4.319 ( 3.667 -0.100 0.255) 3.677 4.413 ( 1.741 -2.878 -2.488) 4.184 4.844 ( -2.157 -6.861 2.207) 7.523 5.251 ( 1.022 10.756 3.529) 11.367 5.383 ( -1.309 -3.897 -3.537) 5.423 5.747 ( 1.458 1.835 0.804) 2.478 6.047 ( 0.547 -1.557 -5.061) 5.323 6.207 ( -3.272 0.443 -4.276) 5.403 6.415 ( -0.862 2.289 -3.385) 4.176 6.942 ( -1.351 3.230 1.396) 3.769 7.104 ( 0.690 2.167 -0.196) 2.283 7.506 ( 2.442 1.326 5.812) 6.442 7.834 ( -4.880 2.135 0.708) 5.373 8.348 ( 1.479 2.007 -1.636) 2.982 8.531 ( -3.710 1.642 -2.502) 4.767 8.630 ( 0.755 1.378 -3.082) 3.460 8.724 ( 1.353 0.652 -1.734) 2.294 8.906 ( 0.704 4.508 -0.779) 4.629 9.022 ( 1.030 4.597 0.781) 4.775 9.135 ( -0.273 6.555 -1.436) 6.716 9.345 ( 4.574 2.351 0.613) 5.179 9.407 ( 0.959 0.641 -0.350) 1.206 9.692 ( 3.542 3.106 -3.273) 5.737 9.773 ( -0.756 -7.587 5.466) 9.381 9.918 ( -2.378 -4.566 -2.414) 5.686 10.122 ( 0.324 -5.523 -3.346) 6.466 10.293 ( -0.906 -5.839 3.269) 6.753 10.393 ( -4.405 1.029 0.197) 4.528 10.554 ( 3.383 -3.034 1.812) 4.893 10.650 ( 1.610 -1.373 1.485) 2.585 10.770 ( 0.851 -1.773 0.131) 1.971 10.882 ( 1.756 -1.052 0.368) 2.080 10.994 ( 1.337 3.869 -3.827) 5.604 11.121 ( 3.868 -3.040 -0.589) 4.955 11.248 ( -5.124 -2.356 2.435) 6.143 11.322 ( 0.044 -2.269 0.823) 2.414 11.623 ( 0.094 1.984 1.753) 2.649 11.827 ( -2.560 1.342 -2.121) 3.585 11.915 ( 3.044 0.717 -6.833) 7.514 12.110 ( -2.444 -1.412 2.960) 4.090 12.305 ( 1.451 -3.466 1.222) 3.951 12.456 ( -0.270 -0.539 0.156) 0.623 12.585 ( -0.769 1.056 -0.462) 1.385 12.642 ( -1.742 0.765 -0.568) 1.985 12.884 ( 2.247 2.093 -1.439) 3.391 ======================= Grid point 125 (56/140) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.485 0.000 -4.946) 6.051 2.238 ( 2.085 0.000 -1.855) 2.790 2.460 ( 1.229 0.000 10.642) 10.712 2.593 ( 4.346 0.000 2.494) 5.011 2.913 ( -4.499 -0.000 7.868) 9.064 3.241 ( 1.495 0.000 0.773) 1.683 3.580 ( -0.825 -0.000 1.894) 2.066 3.628 ( 0.140 0.000 4.639) 4.641 4.203 ( 0.598 0.000 -1.952) 2.042 4.705 ( -4.676 -0.000 -3.622) 5.915 4.787 ( -2.888 -0.000 -6.217) 6.855 4.948 ( -1.921 -0.000 -8.541) 8.755 5.063 ( 2.403 0.000 7.032) 7.432 5.249 ( -5.279 -0.000 7.103) 8.850 5.645 ( -2.795 -0.000 9.866) 10.254 5.802 ( 5.261 0.000 -5.630) 7.705 6.079 ( 5.289 0.000 -5.998) 7.996 6.540 ( 1.658 0.000 -2.486) 2.988 6.696 ( 0.185 0.000 -0.538) 0.569 6.780 ( 4.859 0.000 -5.328) 7.211 7.386 ( 1.312 0.000 0.279) 1.341 7.388 ( -6.909 -0.000 4.205) 8.089 7.782 ( 1.717 0.000 0.678) 1.846 7.984 ( -1.808 -0.000 1.431) 2.305 8.204 ( 2.460 0.000 2.203) 3.302 8.289 ( 0.269 0.000 0.977) 1.013 8.380 ( -4.303 -0.000 3.976) 5.859 8.674 ( -6.133 -0.000 -1.384) 6.287 8.843 ( 3.380 0.000 -2.627) 4.281 8.960 ( -3.703 -0.000 0.077) 3.704 9.345 ( 1.841 0.000 -7.797) 8.012 9.599 ( -0.431 -0.000 -4.499) 4.519 9.656 ( 2.050 0.000 3.034) 3.662 9.786 ( 0.067 0.000 1.416) 1.418 10.181 ( -1.846 -0.000 0.602) 1.942 10.260 ( 0.364 0.000 -7.564) 7.573 10.651 ( -4.146 -0.000 5.152) 6.613 10.745 ( -1.229 -0.000 1.175) 1.700 10.812 ( 7.694 0.000 0.137) 7.695 10.871 ( -0.697 -0.000 -2.679) 2.768 11.097 ( -0.304 -0.000 2.583) 2.600 11.173 ( -0.667 -0.000 4.366) 4.417 11.213 ( -5.058 -0.000 3.571) 6.192 11.618 ( -0.749 -0.000 -1.513) 1.688 11.662 ( -2.722 -0.000 1.749) 3.235 11.897 ( 0.546 0.000 1.756) 1.839 11.979 ( -3.103 -0.000 -2.892) 4.242 12.115 ( 1.533 0.000 -4.397) 4.656 12.265 ( 3.170 0.000 5.066) 5.976 12.707 ( 1.019 0.000 -2.805) 2.984 12.717 ( 3.256 0.000 -0.230) 3.264 12.773 ( 2.884 0.000 0.635) 2.953 13.048 ( 4.691 0.000 -1.916) 5.067 13.164 ( 2.191 0.000 -4.092) 4.642 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -4.195 0.122 -4.494) 6.149 2.297 ( -3.843 -4.130 -3.007) 6.392 2.483 ( -5.118 -3.013 5.402) 8.029 2.593 ( -6.977 0.678 1.290) 7.128 2.941 ( 6.588 1.097 7.995) 10.418 3.182 ( 3.153 6.072 10.237) 12.313 3.422 ( 1.242 5.604 2.113) 6.116 3.840 ( -2.305 -7.541 2.516) 8.277 4.187 ( 0.770 1.293 -1.807) 2.351 4.590 ( -0.390 6.748 -5.928) 8.991 4.765 ( -3.593 -0.068 -6.475) 7.406 4.860 ( 1.628 3.114 -1.086) 3.677 5.139 ( -3.482 -1.667 4.365) 5.827 5.257 ( -3.985 -4.099 4.469) 7.256 5.612 ( 1.540 1.406 0.604) 2.171 5.914 ( 3.818 -6.423 -0.369) 7.481 6.143 ( 4.024 -3.195 -4.490) 6.824 6.520 ( 1.798 3.941 -2.681) 5.094 6.715 ( -1.164 -5.109 -1.455) 5.438 6.858 ( 2.162 -4.757 -2.938) 5.995 7.344 ( -2.629 -0.768 3.731) 4.628 7.494 ( 0.244 -7.613 1.205) 7.712 7.851 ( 0.444 -6.191 1.176) 6.317 8.042 ( -2.065 -7.122 -0.073) 7.416 8.238 ( 1.338 -1.982 1.302) 2.723 8.353 ( 1.348 -5.048 2.150) 5.650 8.407 ( -1.595 -4.277 3.734) 5.897 8.662 ( -0.577 -2.402 -1.776) 3.043 8.890 ( 0.180 -3.558 -3.106) 4.727 8.982 ( 0.417 -4.389 0.115) 4.410 9.316 ( 1.411 2.036 -6.472) 6.930 9.597 ( -1.083 -1.937 -5.887) 6.291 9.655 ( 2.578 2.736 3.177) 4.922 9.805 ( 1.062 -0.845 1.336) 1.904 10.162 ( -0.687 0.503 -0.544) 1.010 10.288 ( 0.012 -3.799 -5.840) 6.967 10.597 ( -3.760 2.232 2.016) 4.815 10.698 ( -5.375 2.199 -0.425) 5.823 10.846 ( 4.884 2.422 1.340) 5.614 10.895 ( 6.221 0.143 -1.426) 6.384 11.090 ( -2.344 1.561 4.612) 5.404 11.153 ( -1.648 2.169 3.575) 4.494 11.186 ( -2.292 -0.222 2.988) 3.772 11.566 ( -0.335 4.115 -0.411) 4.149 11.629 ( -1.050 2.244 1.540) 2.917 11.847 ( -0.732 3.597 -1.551) 3.985 11.970 ( -3.554 -1.393 -0.967) 3.938 12.116 ( 2.268 0.306 -3.919) 4.538 12.290 ( 1.791 1.861 4.772) 5.426 12.593 ( 2.478 9.385 0.756) 9.736 12.708 ( -1.033 3.320 -0.582) 3.526 12.798 ( 1.098 0.662 -0.721) 1.471 13.013 ( 2.401 6.172 -1.155) 6.722 13.138 ( 1.169 2.836 -4.285) 5.269 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -9.931 -5.741 -3.327) 11.944 2.304 ( -6.382 -2.705 -0.118) 6.933 2.463 ( -14.505 -1.700 0.158) 14.605 2.587 ( 0.899 -5.448 3.798) 6.702 2.994 ( 4.277 0.991 5.103) 6.732 3.202 ( 6.974 2.674 13.458) 15.392 3.372 ( 1.608 1.610 3.526) 4.196 3.874 ( -1.682 1.910 4.698) 5.343 4.155 ( 0.049 2.376 0.152) 2.382 4.425 ( 1.438 9.344 -3.125) 9.957 4.677 ( 0.506 4.421 -3.957) 5.954 4.849 ( 0.055 1.847 0.318) 1.875 5.106 ( -5.733 -0.710 -2.012) 6.117 5.324 ( -4.083 -5.826 3.852) 8.090 5.652 ( 0.810 -3.691 -8.499) 9.301 6.061 ( 2.825 -4.940 -0.587) 5.721 6.215 ( 1.418 -2.920 -3.290) 4.622 6.433 ( 1.619 5.009 -0.078) 5.265 6.832 ( -3.292 -8.084 -1.372) 8.836 6.963 ( 1.433 -5.150 -0.019) 5.346 7.384 ( 0.407 -2.613 4.112) 4.889 7.647 ( -0.951 -7.616 0.746) 7.711 8.021 ( -1.941 -11.195 1.129) 11.418 8.203 ( 0.118 -10.261 -0.419) 10.270 8.341 ( 1.490 -8.240 -1.575) 8.521 8.470 ( -1.811 -5.808 2.272) 6.494 8.555 ( 2.472 -10.360 2.805) 11.014 8.739 ( 7.410 -2.908 -2.954) 8.490 8.963 ( -2.818 -7.025 -3.204) 8.219 9.124 ( 3.385 -7.538 0.414) 8.274 9.266 ( 0.606 1.783 -3.577) 4.042 9.595 ( 0.472 0.888 -5.106) 5.204 9.647 ( 0.873 -0.483 1.117) 1.498 9.839 ( 2.465 -0.748 -0.675) 2.663 10.147 ( 0.507 0.886 1.126) 1.520 10.344 ( 1.071 -2.522 -3.754) 4.648 10.505 ( -4.508 3.388 -4.084) 6.963 10.629 ( -1.220 1.241 3.140) 3.590 10.781 ( 1.449 8.886 1.546) 9.135 10.917 ( 4.160 1.921 -2.173) 5.071 11.011 ( -4.466 4.372 4.620) 7.772 11.129 ( 1.144 0.932 1.977) 2.467 11.188 ( -0.391 0.305 2.652) 2.698 11.471 ( -0.064 5.721 1.675) 5.962 11.567 ( 1.065 4.957 2.151) 5.507 11.783 ( 0.328 2.009 -2.635) 3.329 11.932 ( -4.563 1.583 -0.716) 4.883 12.105 ( 1.971 2.566 -2.324) 3.983 12.238 ( -3.116 3.453 1.501) 4.887 12.440 ( 3.250 9.250 3.223) 10.321 12.602 ( -2.194 5.730 0.453) 6.152 12.757 ( -0.595 3.177 -1.019) 3.389 12.880 ( -0.849 7.464 -0.591) 7.535 13.059 ( 0.326 4.317 -4.248) 6.065 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -7.982 -7.191 1.037) 10.794 2.304 ( -5.966 -4.249 -0.048) 7.325 2.451 ( -9.614 -8.690 -0.549) 12.971 2.717 ( -0.750 -5.606 2.763) 6.294 2.968 ( -1.301 5.150 2.839) 6.023 3.220 ( 7.016 4.759 8.632) 12.099 3.424 ( 4.112 -1.418 8.274) 9.348 3.801 ( -1.486 5.086 6.384) 8.296 4.090 ( -1.510 5.415 5.039) 7.550 4.299 ( 4.687 3.722 -1.960) 6.298 4.593 ( 0.276 5.507 -4.889) 7.370 4.761 ( -0.219 4.453 3.682) 5.782 5.123 ( -2.869 -6.151 -7.854) 10.381 5.422 ( -4.336 -5.948 0.878) 7.413 5.665 ( -3.277 -2.297 -8.179) 9.106 6.107 ( 2.496 1.236 -3.360) 4.364 6.234 ( -1.404 0.763 -1.448) 2.156 6.408 ( 1.763 -0.563 1.611) 2.454 6.926 ( -2.622 -4.503 0.879) 5.285 7.063 ( 0.228 -4.101 -0.187) 4.111 7.460 ( 1.884 -2.900 4.330) 5.541 7.751 ( -4.740 -5.588 0.738) 7.365 8.211 ( -0.582 -9.222 0.200) 9.243 8.386 ( 1.988 -7.103 -0.925) 7.434 8.505 ( -1.539 -6.805 -1.300) 7.097 8.613 ( 0.593 -10.739 -1.177) 10.819 8.805 ( 0.348 -10.925 2.051) 11.121 8.859 ( 8.854 -4.992 -4.771) 11.228 9.092 ( -4.742 -8.496 -2.411) 10.024 9.217 ( 3.774 -1.040 3.513) 5.260 9.355 ( 6.774 -7.887 -2.243) 10.636 9.556 ( 1.462 1.579 -4.948) 5.395 9.692 ( -1.936 -4.151 -0.857) 4.660 9.849 ( 3.567 2.297 -3.201) 5.314 10.149 ( 1.435 0.979 3.962) 4.327 10.308 ( 1.434 5.070 -3.052) 6.089 10.482 ( 0.240 -3.334 -4.189) 5.359 10.560 ( 0.832 11.434 2.048) 11.645 10.634 ( -2.529 0.385 3.493) 4.330 10.848 ( -1.773 5.301 0.750) 5.639 10.951 ( 1.410 1.244 1.032) 2.145 11.110 ( 2.382 3.365 0.324) 4.136 11.161 ( -0.396 3.316 0.684) 3.409 11.358 ( -2.193 6.016 3.468) 7.282 11.475 ( 2.858 7.087 1.841) 7.861 11.743 ( -2.060 2.154 -2.390) 3.820 11.843 ( -3.387 2.145 -1.712) 4.359 12.039 ( -1.530 3.352 1.147) 3.859 12.153 ( -1.844 3.287 -1.443) 4.036 12.334 ( 1.923 5.135 3.651) 6.588 12.487 ( -1.224 3.923 -0.995) 4.228 12.681 ( -0.998 3.682 -0.000) 3.815 12.740 ( -2.555 4.990 0.287) 5.613 12.976 ( -0.430 2.965 -3.362) 4.504 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -4.739 0.046 3.214) 5.727 2.418 ( -1.894 -9.339 -3.416) 10.123 2.563 ( -6.086 -7.756 0.899) 9.900 2.752 ( -1.248 2.406 1.793) 3.250 2.814 ( -0.086 9.803 2.778) 10.190 3.197 ( 4.106 5.540 6.465) 9.452 3.492 ( 1.891 -0.374 4.056) 4.491 3.753 ( -1.980 -0.027 10.949) 11.126 3.998 ( -1.530 2.272 4.502) 5.270 4.352 ( 5.736 -3.035 0.178) 6.492 4.426 ( -2.306 6.951 -5.532) 9.178 4.763 ( 0.923 -1.171 2.355) 2.787 5.217 ( -0.824 -7.617 -5.644) 9.516 5.413 ( -3.446 2.563 -1.163) 4.450 5.695 ( -2.991 -5.033 -1.774) 6.117 6.076 ( 3.613 3.522 -2.977) 5.859 6.188 ( -1.567 1.015 -2.379) 3.024 6.427 ( -0.108 0.554 -0.272) 0.627 6.963 ( -1.149 -0.758 2.003) 2.430 7.112 ( -0.103 -1.258 -0.448) 1.339 7.542 ( 2.841 -1.863 4.434) 5.586 7.779 ( -6.841 -2.321 1.500) 7.378 8.342 ( 1.051 -3.924 -0.799) 4.140 8.457 ( -1.615 -1.745 -2.226) 3.257 8.617 ( -0.211 -5.503 -2.299) 5.967 8.733 ( 3.123 -0.257 -3.290) 4.544 8.944 ( 3.268 -3.791 0.520) 5.032 9.047 ( -2.734 -5.318 -2.912) 6.651 9.145 ( 1.564 -3.641 -0.220) 3.969 9.313 ( 0.390 -1.740 2.215) 2.843 9.518 ( 7.004 -1.779 -1.016) 7.298 9.605 ( 1.676 -6.323 -3.895) 7.613 9.714 ( -1.142 -1.351 0.558) 1.855 9.851 ( 2.819 -1.771 -4.373) 5.496 10.129 ( 1.888 5.729 1.494) 6.214 10.221 ( 1.566 1.469 0.961) 2.352 10.409 ( -6.304 2.381 1.358) 6.874 10.517 ( 3.252 -0.824 -0.993) 3.499 10.665 ( 0.227 -1.129 -0.384) 1.214 10.774 ( 0.074 0.178 2.950) 2.956 10.930 ( 0.191 3.584 -0.356) 3.607 11.047 ( 1.350 4.101 -0.212) 4.323 11.114 ( 2.073 0.132 -1.191) 2.395 11.249 ( -2.837 3.511 2.841) 5.334 11.358 ( 1.004 6.394 1.265) 6.595 11.657 ( -4.071 1.655 -0.162) 4.398 11.802 ( -2.055 0.259 -2.437) 3.199 11.979 ( 1.904 3.291 -1.447) 4.068 12.087 ( -1.659 1.061 1.327) 2.375 12.301 ( 1.291 1.315 2.474) 3.085 12.438 ( -0.937 -0.174 -2.230) 2.425 12.610 ( -0.913 2.453 0.000) 2.617 12.662 ( -0.986 2.148 1.245) 2.672 12.920 ( -0.621 1.572 -2.281) 2.839 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -16.453 -0.000 -1.917) 16.565 2.132 ( -13.483 -0.000 -4.653) 14.263 2.428 ( -3.720 -0.000 3.362) 5.013 2.553 ( -5.490 -0.000 1.647) 5.731 3.030 ( 4.481 0.000 10.140) 11.086 3.275 ( -0.035 -0.000 0.914) 0.915 3.550 ( -10.642 -0.000 3.724) 11.275 3.704 ( 10.759 0.000 6.786) 12.720 4.209 ( 1.596 0.000 -1.486) 2.180 4.627 ( -0.385 -0.000 -6.924) 6.935 4.725 ( 0.973 0.000 -8.698) 8.752 4.895 ( 2.276 0.000 -9.330) 9.603 5.112 ( -2.764 -0.000 6.239) 6.824 5.204 ( -2.542 -0.000 7.971) 8.367 5.697 ( 1.058 0.000 10.630) 10.682 5.846 ( 3.000 0.000 -4.172) 5.139 6.141 ( 4.644 0.000 -3.973) 6.111 6.529 ( -1.095 -0.000 -3.335) 3.510 6.699 ( 0.431 0.000 -1.078) 1.161 6.779 ( -1.055 -0.000 -5.040) 5.149 7.348 ( 0.041 0.000 2.591) 2.591 7.411 ( 0.900 0.000 2.464) 2.623 7.796 ( -1.115 -0.000 1.102) 1.568 7.960 ( -1.266 -0.000 -0.340) 1.311 8.238 ( -0.946 -0.000 3.297) 3.430 8.304 ( 1.330 0.000 0.496) 1.420 8.379 ( 0.667 0.000 5.447) 5.488 8.654 ( 5.547 0.000 -1.543) 5.758 8.849 ( -1.130 -0.000 -2.437) 2.686 8.943 ( 1.755 0.000 -1.278) 2.171 9.333 ( 2.024 0.000 -6.282) 6.600 9.548 ( -1.570 -0.000 -5.541) 5.760 9.726 ( 3.773 0.000 3.647) 5.247 9.815 ( 2.166 0.000 0.979) 2.377 10.148 ( -1.920 -0.000 -0.698) 2.043 10.242 ( 2.084 0.000 -5.963) 6.317 10.596 ( -4.031 -0.000 2.246) 4.614 10.659 ( -5.812 -0.000 -1.389) 5.975 10.907 ( 3.612 0.000 -0.732) 3.686 10.944 ( 6.249 0.000 -0.549) 6.273 11.118 ( -3.299 -0.000 10.798) 11.291 11.165 ( -2.501 -0.000 2.632) 3.631 11.182 ( 1.975 0.000 0.799) 2.131 11.595 ( -1.118 -0.000 -1.342) 1.747 11.631 ( -2.106 -0.000 -0.665) 2.208 11.887 ( -3.401 -0.000 -2.557) 4.255 11.911 ( 0.165 0.000 0.743) 0.761 12.124 ( 1.890 0.000 -3.104) 3.635 12.346 ( 1.140 0.000 5.135) 5.260 12.678 ( -2.237 -0.000 -3.184) 3.891 12.752 ( 0.997 0.000 0.492) 1.111 12.795 ( -0.619 -0.000 0.200) 0.650 13.105 ( 2.115 0.000 0.863) 2.284 13.144 ( -1.361 -0.000 -4.981) 5.163 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -20.662 -2.537 -1.567) 20.876 2.067 ( -21.319 -7.805 -0.689) 22.714 2.385 ( -4.380 2.117 0.252) 4.871 2.544 ( -1.102 -1.843 3.364) 3.991 3.028 ( -6.241 0.623 4.030) 7.456 3.286 ( -1.068 -1.922 3.786) 4.378 3.455 ( 1.291 2.973 9.001) 9.567 3.868 ( 5.692 -2.603 4.967) 7.990 4.199 ( 1.452 2.128 -0.348) 2.600 4.570 ( 2.210 4.901 -7.115) 8.918 4.680 ( -0.423 1.807 -8.681) 8.877 4.911 ( 5.234 0.343 -2.615) 5.861 5.084 ( -4.820 0.974 2.741) 5.630 5.236 ( -0.150 -1.120 6.618) 6.714 5.649 ( 1.530 3.842 -0.966) 4.247 5.977 ( 2.712 -7.544 2.111) 8.290 6.172 ( 1.758 -1.179 -4.192) 4.696 6.507 ( -1.360 1.811 -3.659) 4.303 6.669 ( -2.790 -3.203 -0.857) 4.334 6.855 ( -0.471 -6.579 -2.230) 6.963 7.370 ( 3.259 -1.152 1.632) 3.822 7.508 ( -0.436 -6.601 3.401) 7.438 7.833 ( -2.842 -5.871 0.602) 6.550 8.024 ( 0.109 -7.527 -0.493) 7.544 8.246 ( -0.535 -2.081 0.684) 2.255 8.383 ( 1.916 -5.100 0.716) 5.495 8.446 ( 2.254 -4.111 5.663) 7.352 8.746 ( 9.307 -3.124 -1.916) 10.003 8.843 ( -2.639 -2.081 -2.936) 4.462 9.015 ( 3.575 -5.546 -2.143) 6.938 9.309 ( 1.600 2.493 -3.280) 4.419 9.543 ( -1.319 -2.343 -5.004) 5.680 9.734 ( 4.504 3.485 2.649) 6.281 9.850 ( 3.630 -0.777 0.344) 3.728 10.148 ( -0.659 -1.235 -0.792) 1.609 10.272 ( 1.386 -3.063 -4.212) 5.389 10.532 ( -3.574 3.172 -0.325) 4.790 10.622 ( -3.194 -0.516 0.612) 3.293 10.909 ( 1.762 2.936 0.608) 3.478 10.973 ( 2.316 1.341 -1.378) 3.010 11.067 ( -4.108 3.593 5.375) 7.660 11.151 ( -1.140 0.234 2.114) 2.413 11.220 ( 5.066 0.725 4.769) 6.995 11.552 ( -2.045 2.947 -0.243) 3.596 11.605 ( -2.068 -0.051 -1.907) 2.813 11.833 ( 1.332 2.815 -0.915) 3.246 11.916 ( -2.220 0.282 0.381) 2.270 12.129 ( 1.200 0.146 -3.022) 3.255 12.313 ( -2.356 4.516 3.356) 6.100 12.609 ( -1.685 4.349 -1.736) 4.977 12.684 ( -0.530 5.783 1.598) 6.023 12.780 ( -2.379 1.420 -1.186) 3.013 13.013 ( -1.706 7.267 -1.892) 7.701 13.116 ( -0.984 2.558 -1.952) 3.365 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -16.155 -12.304 1.607) 20.371 2.061 ( -21.683 -10.891 5.131) 24.801 2.314 ( -2.322 0.367 -3.972) 4.615 2.610 ( -1.764 -5.265 1.657) 5.794 2.993 ( -6.045 -1.051 3.752) 7.192 3.307 ( -4.344 -1.845 1.327) 4.902 3.507 ( 8.749 1.404 14.263) 16.791 3.906 ( 3.100 4.032 4.988) 7.124 4.158 ( -0.312 2.831 2.020) 3.492 4.449 ( 3.396 7.773 -4.115) 9.428 4.615 ( -3.514 0.832 -5.988) 6.993 4.888 ( 1.703 6.149 4.317) 7.704 5.049 ( 0.969 0.448 -5.904) 5.999 5.279 ( -0.734 -3.406 5.189) 6.250 5.611 ( -0.466 0.035 -7.810) 7.824 6.108 ( 3.304 -2.521 -2.811) 5.018 6.195 ( -1.602 -2.513 -2.485) 3.880 6.443 ( 0.011 2.001 0.352) 2.032 6.772 ( -3.058 -8.459 0.671) 9.020 6.965 ( -0.845 -5.961 -1.224) 6.144 7.441 ( 3.307 -2.191 2.015) 4.449 7.615 ( -3.893 -5.198 3.278) 7.274 7.995 ( -0.364 -12.233 -0.279) 12.242 8.218 ( 0.928 -10.739 0.489) 10.790 8.336 ( 0.190 -8.395 -2.832) 8.862 8.491 ( 3.434 -3.741 -0.283) 5.086 8.611 ( 1.638 -9.409 4.093) 10.391 8.857 ( -2.003 -4.312 -2.834) 5.535 8.906 ( 6.423 -4.609 -3.558) 8.669 9.196 ( 6.090 -9.384 -1.448) 11.281 9.269 ( 1.066 1.194 -0.366) 1.641 9.569 ( -0.585 -2.196 -3.898) 4.512 9.705 ( 5.192 4.318 0.774) 6.798 9.901 ( 4.926 -0.251 0.042) 4.932 10.168 ( 1.213 -0.739 0.344) 1.462 10.358 ( 1.889 -5.175 -2.454) 6.031 10.424 ( -1.599 4.568 -3.428) 5.931 10.616 ( -3.387 0.005 3.874) 5.146 10.804 ( -0.181 8.935 2.677) 9.329 10.922 ( -0.599 4.599 -0.596) 4.676 10.984 ( -1.127 2.262 0.138) 2.531 11.152 ( 0.606 -0.017 -0.244) 0.654 11.247 ( 3.622 3.133 5.047) 6.958 11.449 ( -4.022 4.641 0.213) 6.146 11.582 ( 0.542 1.889 -1.230) 2.318 11.790 ( 1.234 4.216 0.644) 4.440 11.855 ( -3.575 2.872 -0.414) 4.605 12.110 ( 0.035 2.530 -0.932) 2.696 12.184 ( -4.117 4.709 0.691) 6.293 12.482 ( -0.194 6.721 0.537) 6.746 12.564 ( -1.608 6.477 0.072) 6.674 12.707 ( -3.820 2.119 -1.363) 4.576 12.846 ( -2.613 7.060 -0.676) 7.558 13.024 ( -1.921 4.408 -2.254) 5.311 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -10.984 -11.735 5.724) 17.063 2.151 ( -10.555 -13.927 2.695) 17.682 2.344 ( -1.533 -7.017 -4.078) 8.259 2.706 ( -2.363 -5.730 0.573) 6.225 2.946 ( -2.411 3.815 1.987) 4.931 3.296 ( -4.563 -0.329 2.138) 5.050 3.577 ( 6.720 4.178 13.292) 15.469 3.827 ( 0.264 6.098 7.636) 9.776 4.085 ( -2.174 5.115 4.651) 7.247 4.362 ( 3.829 2.329 -5.620) 7.189 4.522 ( -4.038 5.085 -1.865) 6.756 4.821 ( 3.415 2.830 3.768) 5.820 5.042 ( -2.825 -4.090 -5.254) 7.232 5.366 ( 0.084 -2.919 -0.501) 2.963 5.598 ( 0.153 -2.483 -5.722) 6.239 6.125 ( 0.729 0.496 -6.204) 6.266 6.205 ( 1.253 0.498 -0.758) 1.547 6.442 ( 0.948 0.148 1.834) 2.070 6.895 ( -1.695 -5.820 2.219) 6.456 7.051 ( -1.444 -4.404 -1.129) 4.770 7.517 ( 0.669 -3.005 2.849) 4.195 7.674 ( -3.474 -4.053 2.843) 6.048 8.223 ( 1.805 -9.467 -0.305) 9.642 8.396 ( 0.497 -6.904 -3.506) 7.759 8.484 ( 0.943 -5.767 -2.346) 6.296 8.638 ( 2.099 -9.829 -1.500) 10.162 8.817 ( -0.109 -9.359 1.585) 9.493 8.951 ( 1.366 -6.739 -1.146) 6.971 8.990 ( -1.833 -4.385 -1.939) 5.133 9.292 ( 3.210 -2.221 0.750) 3.974 9.448 ( 4.890 -8.766 -2.665) 10.385 9.584 ( -2.292 -2.270 -2.123) 3.862 9.681 ( 6.587 2.570 0.108) 7.071 9.921 ( 6.025 3.218 -1.551) 7.005 10.194 ( 1.043 -0.068 2.222) 2.456 10.316 ( 2.415 4.031 -4.055) 6.206 10.450 ( -3.253 2.134 -0.594) 3.935 10.575 ( -3.453 -3.412 4.457) 6.590 10.632 ( 2.605 9.681 1.247) 10.102 10.819 ( -0.668 4.659 -0.361) 4.720 10.975 ( 1.227 0.267 -1.239) 1.764 11.126 ( -1.601 3.306 0.198) 3.678 11.188 ( 2.113 4.885 1.169) 5.449 11.325 ( -3.087 4.948 1.556) 6.036 11.511 ( -0.154 6.104 -0.133) 6.108 11.659 ( -4.693 5.963 1.207) 7.684 11.792 ( -2.015 1.167 -1.799) 2.943 12.048 ( 1.437 2.736 2.490) 3.969 12.112 ( -1.518 1.627 -1.650) 2.771 12.390 ( 2.019 5.510 1.165) 5.982 12.432 ( -3.150 2.565 -2.073) 4.560 12.644 ( -2.043 1.877 0.112) 2.777 12.719 ( -1.020 4.281 0.724) 4.460 12.929 ( -2.707 2.303 -2.674) 4.448 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -27.461 -0.000 2.756) 27.599 1.739 ( -27.155 -0.000 -2.379) 27.259 2.391 ( -4.329 -0.000 0.714) 4.387 2.520 ( -0.754 -0.000 2.082) 2.214 2.863 ( -29.517 -0.000 1.956) 29.582 3.227 ( -4.192 -0.000 1.192) 4.358 3.529 ( 5.744 0.000 11.432) 12.794 3.971 ( 13.725 0.000 5.761) 14.885 4.236 ( 1.441 0.000 0.207) 1.455 4.614 ( 3.914 0.000 -8.591) 9.440 4.719 ( 4.717 0.000 -9.592) 10.689 4.919 ( 6.553 0.000 -7.595) 10.031 5.066 ( -4.609 -0.000 4.899) 6.726 5.286 ( 5.053 0.000 8.757) 10.110 5.781 ( 1.385 0.000 9.188) 9.292 5.846 ( -0.503 -0.000 -3.756) 3.789 6.164 ( 0.138 0.000 -4.348) 4.350 6.458 ( -4.070 -0.000 -4.714) 6.228 6.687 ( -0.459 -0.000 -3.373) 3.404 6.722 ( -2.172 -0.000 -1.726) 2.775 7.403 ( 5.053 0.000 -0.812) 5.118 7.445 ( -0.442 -0.000 5.947) 5.963 7.756 ( -3.556 -0.000 0.917) 3.672 7.941 ( -0.076 -0.000 -1.414) 1.416 8.242 ( 0.427 0.000 2.457) 2.494 8.338 ( 2.032 0.000 -0.213) 2.043 8.457 ( 4.079 0.000 5.593) 6.922 8.785 ( 7.095 0.000 -2.469) 7.512 8.788 ( -3.541 -0.000 -1.847) 3.994 9.000 ( 8.062 0.000 -3.771) 8.901 9.359 ( 4.099 0.000 -1.691) 4.434 9.481 ( -2.989 -0.000 -3.250) 4.415 9.829 ( 5.463 0.000 3.604) 6.545 9.872 ( 4.442 0.000 -1.380) 4.652 10.109 ( -1.600 -0.000 -1.434) 2.148 10.247 ( 1.259 0.000 -2.853) 3.118 10.546 ( -3.122 -0.000 1.313) 3.386 10.575 ( -2.972 -0.000 -0.065) 2.973 10.951 ( 1.683 0.000 -0.614) 1.792 10.997 ( -0.679 -0.000 1.059) 1.258 11.093 ( -2.494 -0.000 4.882) 5.482 11.127 ( -2.793 -0.000 0.495) 2.837 11.313 ( 8.087 0.000 5.902) 10.011 11.549 ( -5.561 -0.000 -3.300) 6.466 11.557 ( -2.430 -0.000 -1.476) 2.843 11.884 ( 3.761 0.000 0.286) 3.772 11.912 ( -0.327 -0.000 -0.124) 0.349 12.126 ( -0.186 -0.000 -2.526) 2.532 12.342 ( -4.177 -0.000 2.749) 5.000 12.595 ( -4.832 -0.000 -3.675) 6.071 12.760 ( -3.073 -0.000 -0.300) 3.088 12.770 ( 0.795 0.000 0.528) 0.954 13.065 ( -3.784 -0.000 -6.158) 7.227 13.127 ( -0.758 -0.000 2.567) 2.676 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -24.983 -8.338 4.642) 26.744 1.633 ( -28.065 -11.610 3.746) 30.602 2.312 ( -7.750 1.017 -2.005) 8.070 2.473 ( -12.172 -1.749 -1.406) 12.377 2.767 ( -18.624 -11.025 5.883) 22.428 3.214 ( -3.603 -1.194 1.689) 4.155 3.635 ( 9.057 -0.301 12.090) 15.109 4.067 ( 11.484 3.539 4.581) 12.861 4.220 ( 0.121 2.534 1.532) 2.963 4.574 ( 3.054 5.024 -7.112) 9.227 4.661 ( 4.044 5.950 -7.720) 10.553 4.986 ( 0.909 -0.012 -1.401) 1.670 5.037 ( 2.528 0.393 0.621) 2.633 5.351 ( 7.099 1.951 7.645) 10.613 5.635 ( -1.723 6.644 -3.004) 7.492 6.019 ( 0.066 -8.694 2.087) 8.941 6.137 ( -2.104 -0.459 -6.290) 6.648 6.442 ( -2.621 -1.758 -3.992) 5.088 6.629 ( -1.524 -2.048 0.537) 2.608 6.820 ( -1.778 -7.171 -2.810) 7.904 7.448 ( 3.359 -0.792 1.027) 3.601 7.509 ( -1.573 -4.284 4.048) 6.100 7.794 ( -0.843 -7.253 -0.007) 7.302 8.033 ( 1.348 -8.841 -0.739) 8.974 8.251 ( 0.984 -0.874 -0.019) 1.316 8.426 ( 2.463 -5.961 -0.815) 6.501 8.536 ( 3.799 -2.830 4.526) 6.552 8.756 ( -2.531 -1.162 -2.449) 3.708 8.876 ( 2.905 -4.879 -2.799) 6.331 9.122 ( 12.363 -4.256 -3.385) 13.507 9.331 ( 1.168 3.918 0.462) 4.115 9.505 ( -0.217 -3.179 -1.009) 3.342 9.837 ( 6.090 3.644 0.422) 7.110 9.931 ( 5.076 -1.195 0.838) 5.282 10.133 ( -0.100 -3.298 -1.458) 3.607 10.272 ( 0.340 -2.640 -1.171) 2.908 10.488 ( -1.299 2.886 -0.541) 3.211 10.585 ( -2.670 -1.543 2.625) 4.050 10.901 ( -2.898 4.164 1.290) 5.234 10.980 ( -0.891 1.169 0.500) 1.552 11.041 ( -0.911 3.859 1.230) 4.151 11.137 ( -0.576 -1.505 -0.100) 1.614 11.364 ( 5.365 3.114 4.519) 7.674 11.466 ( -5.079 2.656 -1.431) 5.908 11.567 ( -1.125 -2.611 -0.976) 3.006 11.880 ( -1.281 2.732 -0.201) 3.024 11.902 ( 4.738 2.907 0.477) 5.580 12.111 ( -1.332 -0.066 -2.708) 3.018 12.255 ( -5.688 4.968 2.035) 7.822 12.526 ( -4.975 1.715 -3.502) 6.321 12.690 ( -1.903 4.244 1.695) 4.950 12.727 ( -1.218 4.641 -1.699) 5.090 12.928 ( -5.415 6.305 -5.821) 10.147 13.089 ( -2.089 3.745 1.514) 4.547 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -15.212 -19.627 7.787) 26.025 1.716 ( -20.720 -18.149 7.290) 28.493 2.264 ( -2.230 -1.851 -3.654) 4.664 2.476 ( -12.952 -11.674 -5.650) 18.329 2.860 ( -11.410 -8.592 5.842) 15.432 3.206 ( -3.701 -0.575 1.466) 4.022 3.748 ( 7.579 1.033 14.587) 16.471 4.045 ( 7.600 9.424 4.869) 13.049 4.166 ( -0.233 3.796 4.516) 5.904 4.456 ( 0.073 6.121 -6.663) 9.048 4.562 ( 1.779 4.671 -1.524) 5.226 4.885 ( -4.422 4.351 1.089) 6.298 5.080 ( 5.922 4.035 -2.217) 7.501 5.368 ( 5.366 1.310 2.444) 6.040 5.558 ( 0.145 -0.177 -5.487) 5.492 6.081 ( -2.701 -2.103 -5.576) 6.543 6.187 ( 2.261 -4.148 -3.124) 5.664 6.446 ( -0.011 -0.853 -0.098) 0.859 6.742 ( -1.146 -8.694 2.274) 9.060 6.921 ( -2.874 -6.420 -2.286) 7.396 7.475 ( -3.006 -1.442 3.557) 4.875 7.593 ( 1.543 -4.011 1.523) 4.559 8.012 ( 2.087 -13.590 -0.508) 13.758 8.231 ( 0.527 -8.760 -0.660) 8.800 8.330 ( 1.107 -8.189 -2.521) 8.640 8.551 ( 3.963 -4.366 -3.843) 7.038 8.661 ( 1.150 -7.002 4.254) 8.273 8.783 ( -1.865 -4.823 -2.198) 5.618 8.979 ( 2.581 -3.192 -1.407) 4.339 9.276 ( -0.031 -1.101 -0.084) 1.104 9.340 ( 10.255 -5.746 -2.054) 11.933 9.530 ( -2.508 -0.172 0.953) 2.688 9.826 ( 8.241 3.734 -1.101) 9.114 9.999 ( 5.171 -0.305 1.970) 5.542 10.188 ( 0.993 -1.537 -0.764) 1.983 10.348 ( -1.231 -4.870 -1.983) 5.400 10.424 ( 2.576 2.723 -1.961) 4.230 10.543 ( -7.644 2.964 5.834) 10.062 10.824 ( 1.518 4.410 0.464) 4.687 10.923 ( -0.287 5.545 1.274) 5.697 10.972 ( 0.390 0.442 -0.615) 0.851 11.163 ( 1.234 0.189 -1.225) 1.749 11.288 ( -3.936 4.414 1.461) 6.092 11.354 ( -4.157 5.669 0.413) 7.042 11.599 ( 2.590 1.414 -0.425) 2.981 11.762 ( -5.165 5.576 1.128) 7.684 11.844 ( 1.544 6.736 -1.002) 6.983 12.092 ( -2.542 0.255 -4.043) 4.783 12.130 ( -0.568 3.307 3.891) 5.138 12.437 ( -3.546 2.382 -1.345) 4.479 12.549 ( -0.592 8.265 -1.478) 8.417 12.647 ( -1.630 0.913 -0.478) 1.929 12.775 ( -4.299 3.708 -2.876) 6.364 12.975 ( -2.767 5.628 0.092) 6.272 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -30.466 -0.000 10.438) 32.204 1.227 ( -31.446 -0.000 4.209) 31.726 2.014 ( -44.308 -0.000 0.802) 44.315 2.476 ( -9.357 -0.000 5.602) 10.906 2.508 ( -1.868 -0.000 0.016) 1.868 3.200 ( -0.036 -0.000 2.529) 2.530 3.743 ( 9.507 0.000 9.457) 13.409 4.217 ( 11.775 0.000 3.124) 12.183 4.247 ( -0.757 -0.000 1.096) 1.332 4.636 ( 4.195 0.000 -8.873) 9.815 4.763 ( 5.505 0.000 -7.474) 9.282 5.032 ( -2.222 -0.000 4.623) 5.129 5.032 ( 9.951 0.000 -3.586) 10.577 5.445 ( 6.659 0.000 7.036) 9.688 5.782 ( -4.136 -0.000 -3.954) 5.722 5.844 ( 0.016 0.000 7.181) 7.181 6.080 ( -4.933 -0.000 -8.632) 9.942 6.362 ( -3.272 -0.000 -3.863) 5.062 6.640 ( -1.706 -0.000 -5.696) 5.947 6.693 ( -0.968 -0.000 0.207) 0.989 7.440 ( -4.985 -0.000 6.832) 8.458 7.498 ( 6.790 0.000 -2.552) 7.254 7.724 ( -0.121 -0.000 0.949) 0.956 7.946 ( 1.689 0.000 -1.722) 2.412 8.282 ( 2.290 0.000 0.395) 2.324 8.358 ( 0.387 0.000 -1.080) 1.147 8.546 ( 1.565 0.000 2.853) 3.254 8.749 ( 1.058 0.000 0.557) 1.195 8.802 ( -0.866 -0.000 -3.381) 3.491 9.207 ( 16.508 0.000 -4.083) 17.005 9.418 ( -3.149 -0.000 0.845) 3.261 9.453 ( 6.177 0.000 3.054) 6.891 9.939 ( 4.632 0.000 -3.275) 5.673 9.947 ( 5.736 0.000 2.404) 6.220 10.085 ( -0.185 -0.000 -0.264) 0.322 10.249 ( 0.128 0.000 -0.032) 0.132 10.495 ( -3.778 -0.000 0.771) 3.856 10.552 ( -0.985 -0.000 2.074) 2.296 10.944 ( -5.710 -0.000 3.543) 6.720 10.960 ( 0.034 0.000 -0.223) 0.225 11.077 ( -2.844 -0.000 -1.649) 3.288 11.101 ( -0.140 -0.000 0.630) 0.646 11.420 ( -1.754 -0.000 -2.414) 2.984 11.502 ( -2.578 -0.000 -0.161) 2.583 11.505 ( 4.943 0.000 5.989) 7.765 11.895 ( -1.480 -0.000 -0.591) 1.594 11.989 ( 7.318 0.000 -0.103) 7.318 12.083 ( -2.986 -0.000 -2.192) 3.704 12.257 ( -6.244 -0.000 1.323) 6.383 12.475 ( -5.930 -0.000 -4.437) 7.406 12.706 ( -2.319 -0.000 -0.450) 2.362 12.777 ( -0.247 -0.000 -0.380) 0.453 12.931 ( -6.680 -0.000 -11.185) 13.027 13.112 ( -2.701 -0.000 2.384) 3.603 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -22.539 -17.071 12.850) 31.057 1.196 ( -25.665 -17.138 11.524) 32.943 1.820 ( -39.473 -19.980 3.716) 44.398 2.348 ( -1.507 3.575 -2.218) 4.469 2.617 ( -6.673 -8.600 4.433) 11.753 3.208 ( 0.174 0.440 0.876) 0.996 3.852 ( 7.622 -0.211 9.776) 12.398 4.200 ( -1.256 3.519 1.231) 3.934 4.294 ( 9.183 3.215 4.557) 10.744 4.586 ( 2.991 6.430 -4.895) 8.617 4.711 ( 5.006 6.817 -5.547) 10.115 4.940 ( -2.822 5.757 1.259) 6.534 5.169 ( 9.027 -1.991 0.685) 9.269 5.506 ( 4.437 4.481 3.860) 7.393 5.571 ( -2.312 5.566 -2.437) 6.501 5.972 ( -4.495 -4.706 -3.561) 7.418 6.071 ( -0.662 -6.641 -5.517) 8.659 6.381 ( -2.050 -4.219 -3.315) 5.743 6.622 ( 0.411 -3.584 0.484) 3.640 6.766 ( -2.283 -6.102 -2.399) 6.943 7.423 ( -6.001 -1.123 5.013) 7.899 7.569 ( 5.594 -1.888 -1.428) 6.074 7.808 ( 1.564 -8.326 0.738) 8.503 8.065 ( 3.130 -9.167 -1.347) 9.780 8.265 ( 0.891 0.126 -1.784) 1.998 8.440 ( 0.063 -6.509 -3.174) 7.242 8.588 ( -0.519 -3.466 2.413) 4.255 8.748 ( 3.101 0.193 -0.945) 3.248 8.887 ( 1.338 -6.536 0.351) 6.681 9.312 ( 2.764 3.447 0.425) 4.439 9.374 ( 10.414 -0.716 -1.874) 10.606 9.533 ( 1.834 0.186 3.133) 3.635 9.939 ( 5.997 2.121 -2.123) 6.706 10.025 ( 4.198 -1.585 2.149) 4.975 10.129 ( 0.606 -4.086 -0.621) 4.177 10.273 ( -0.224 -1.664 1.327) 2.140 10.468 ( -0.536 0.425 -1.052) 1.255 10.547 ( -4.303 0.828 3.757) 5.773 10.861 ( -2.122 1.378 1.414) 2.898 10.963 ( -0.644 1.165 0.113) 1.336 11.012 ( -3.784 2.692 0.522) 4.673 11.133 ( 0.392 -3.015 -1.989) 3.634 11.341 ( -2.592 5.323 -1.598) 6.132 11.483 ( 0.374 5.429 4.768) 7.235 11.574 ( 2.452 -3.793 0.908) 4.607 11.832 ( -3.253 4.757 -1.045) 5.857 11.991 ( 3.611 5.451 -0.549) 6.562 12.053 ( -3.590 -0.148 -2.378) 4.308 12.184 ( -2.215 2.266 1.785) 3.637 12.420 ( -4.135 -0.283 -3.455) 5.396 12.640 ( -4.079 5.029 -2.581) 6.971 12.696 ( -2.741 5.525 -4.310) 7.524 12.773 ( -5.780 2.314 -4.854) 7.895 13.057 ( -2.781 4.058 1.376) 5.108 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -26.560 -0.000 18.486) 32.360 0.823 ( -26.577 -0.000 23.191) 35.273 1.230 ( -45.458 -0.000 23.743) 51.285 2.399 ( -3.639 -0.000 1.088) 3.798 2.470 ( -1.372 -0.000 -1.308) 1.896 3.208 ( -1.150 -0.000 -2.003) 2.310 3.939 ( 6.766 0.000 8.013) 10.487 4.220 ( -3.309 -0.000 0.994) 3.455 4.415 ( 8.238 0.000 2.192) 8.524 4.658 ( 4.529 0.000 -5.228) 6.917 4.795 ( 2.068 0.000 -3.683) 4.224 5.055 ( 1.544 0.000 4.169) 4.446 5.186 ( 8.294 0.000 -1.480) 8.425 5.563 ( 2.403 0.000 4.296) 4.922 5.666 ( -5.519 -0.000 -5.577) 7.846 5.860 ( -2.399 -0.000 4.579) 5.169 5.944 ( -2.335 -0.000 -10.240) 10.503 6.302 ( -1.364 -0.000 -3.331) 3.600 6.582 ( -0.246 -0.000 -1.273) 1.296 6.678 ( -0.974 -0.000 -0.121) 0.982 7.375 ( -5.189 -0.000 4.565) 6.912 7.597 ( 6.037 0.000 -2.207) 6.428 7.747 ( 0.903 0.000 2.265) 2.438 7.977 ( 3.112 0.000 -2.327) 3.886 8.280 ( -2.174 -0.000 -3.644) 4.244 8.339 ( -1.040 -0.000 -2.276) 2.503 8.544 ( -2.274 -0.000 2.627) 3.475 8.797 ( 1.707 0.000 2.759) 3.244 8.825 ( 5.060 0.000 1.955) 5.424 9.381 ( -3.283 -0.000 4.361) 5.459 9.459 ( 15.096 0.000 -6.296) 16.357 9.608 ( 8.313 0.000 3.279) 8.936 9.993 ( 4.216 0.000 -3.184) 5.283 10.022 ( 1.145 0.000 -0.806) 1.401 10.135 ( 6.064 0.000 4.720) 7.684 10.253 ( -0.301 -0.000 0.885) 0.935 10.432 ( -3.394 -0.000 0.738) 3.473 10.517 ( -5.494 -0.000 -0.923) 5.570 10.866 ( -4.863 -0.000 2.143) 5.314 10.971 ( -4.073 -0.000 -1.967) 4.523 11.009 ( 2.502 0.000 2.274) 3.381 11.076 ( -2.180 -0.000 0.158) 2.186 11.396 ( 0.733 0.000 -1.862) 2.001 11.517 ( 4.026 0.000 4.861) 6.311 11.614 ( 2.262 0.000 5.396) 5.851 11.839 ( -5.111 -0.000 -4.364) 6.721 11.995 ( -6.792 -0.000 -2.488) 7.233 12.086 ( 1.882 0.000 -1.201) 2.233 12.195 ( 0.881 0.000 1.119) 1.424 12.354 ( -3.998 -0.000 -5.277) 6.620 12.629 ( -12.882 -0.000 -13.333) 18.540 12.714 ( -0.969 -0.000 -1.395) 1.698 12.751 ( -2.119 -0.000 -1.464) 2.576 13.063 ( -3.773 -0.000 0.056) 3.773 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.336 0.000 24.711) 24.822 1.363 ( -0.772 -0.000 28.089) 28.099 1.872 ( 9.079 0.000 19.738) 21.725 2.346 ( -3.824 -0.000 8.447) 9.272 2.394 ( 4.204 0.000 -8.306) 9.310 2.850 ( -12.083 -0.000 -11.887) 16.950 4.148 ( -1.540 -0.000 3.106) 3.467 4.300 ( -5.680 -0.000 13.439) 14.590 4.414 ( -1.573 -0.000 -3.620) 3.947 4.821 ( 1.407 0.000 1.957) 2.410 4.840 ( 11.557 0.000 0.309) 11.561 5.074 ( -1.829 -0.000 -15.700) 15.806 5.218 ( -0.247 -0.000 4.688) 4.694 5.371 ( 2.556 0.000 -6.484) 6.969 5.624 ( -4.373 -0.000 3.338) 5.502 5.802 ( 4.848 0.000 -3.898) 6.221 5.906 ( -5.774 -0.000 4.591) 7.377 6.151 ( 3.006 0.000 -7.341) 7.932 6.631 ( -0.991 -0.000 -1.433) 1.742 6.640 ( 2.588 0.000 -2.584) 3.657 7.411 ( -3.787 -0.000 3.483) 5.145 7.605 ( 4.569 0.000 -4.632) 6.507 7.821 ( -1.157 -0.000 2.483) 2.740 7.940 ( 3.258 0.000 -4.087) 5.227 8.188 ( -2.190 -0.000 -0.042) 2.191 8.279 ( 1.507 0.000 -2.159) 2.632 8.652 ( -3.766 -0.000 10.118) 10.796 9.012 ( 3.198 0.000 6.049) 6.842 9.015 ( 3.165 0.000 3.240) 4.529 9.304 ( -3.472 -0.000 -10.618) 11.171 9.441 ( -4.180 -0.000 3.365) 5.366 9.508 ( -0.361 -0.000 -4.945) 4.958 9.967 ( -8.152 -0.000 1.055) 8.220 10.046 ( 9.041 0.000 -1.365) 9.144 10.193 ( -5.184 -0.000 -1.558) 5.413 10.248 ( 1.116 0.000 -1.275) 1.695 10.400 ( 0.865 0.000 -0.140) 0.876 10.420 ( -0.887 -0.000 0.326) 0.945 10.852 ( -1.966 -0.000 1.771) 2.646 10.874 ( -1.089 -0.000 1.049) 1.512 11.100 ( 0.971 0.000 2.749) 2.916 11.198 ( 1.061 0.000 -0.857) 1.364 11.363 ( -1.961 -0.000 -0.553) 2.037 11.403 ( 6.431 0.000 -2.304) 6.831 11.729 ( -3.218 -0.000 4.519) 5.548 11.829 ( 0.103 0.000 1.643) 1.647 12.000 ( 0.214 0.000 2.427) 2.437 12.054 ( 0.463 0.000 -0.935) 1.043 12.289 ( 2.765 0.000 1.412) 3.104 12.289 ( 1.395 0.000 -0.981) 1.705 12.461 ( 5.098 0.000 -1.956) 5.461 12.586 ( -3.944 -0.000 -6.913) 7.959 12.842 ( 10.287 0.000 0.236) 10.289 12.913 ( -6.551 -0.000 -3.153) 7.271 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 4.949 -8.282 20.652) 22.794 1.615 ( 5.444 -13.112 21.329) 25.622 2.044 ( 10.157 -3.263 3.843) 11.339 2.327 ( 7.542 0.108 6.199) 9.763 2.545 ( 5.632 -7.041 -4.461) 10.060 2.723 ( -8.484 -0.847 -8.340) 11.927 4.124 ( -11.342 2.660 7.394) 13.798 4.205 ( -3.522 3.435 7.936) 9.337 4.393 ( -6.218 -0.115 1.231) 6.340 4.728 ( 1.872 7.306 1.822) 7.759 4.859 ( 4.012 5.507 0.024) 6.813 5.124 ( 2.120 5.109 6.126) 8.254 5.196 ( 1.132 -7.427 -12.077) 14.223 5.399 ( 2.299 -1.214 -10.916) 11.221 5.562 ( -4.289 0.504 5.820) 7.247 5.841 ( 0.796 0.846 -3.594) 3.778 5.891 ( 0.330 -3.518 2.172) 4.148 6.163 ( 2.719 0.628 -8.048) 8.518 6.644 ( -1.044 -4.369 0.756) 4.555 6.737 ( 1.634 -6.866 -3.133) 7.722 7.415 ( -2.815 -2.532 3.601) 5.225 7.656 ( 2.926 -2.708 -3.825) 5.525 7.880 ( -0.779 -6.890 2.196) 7.273 8.016 ( 2.229 -5.587 -3.758) 7.093 8.225 ( -1.614 -5.549 -0.735) 5.826 8.331 ( 2.583 -4.466 -2.296) 5.647 8.673 ( -4.556 -2.822 9.391) 10.813 9.003 ( -2.701 1.368 2.323) 3.816 9.060 ( -0.091 -0.904 2.169) 2.352 9.260 ( -4.712 -2.977 -6.212) 8.346 9.406 ( -2.317 2.007 2.351) 3.863 9.490 ( 3.174 1.382 -2.376) 4.199 9.880 ( -12.265 -0.618 -0.449) 12.289 10.091 ( 1.358 -0.651 -0.456) 1.573 10.170 ( 1.916 0.360 -0.053) 1.950 10.287 ( 1.274 -2.965 -0.138) 3.230 10.421 ( 1.016 -2.360 0.640) 2.648 10.497 ( 2.395 -4.711 -1.535) 5.503 10.833 ( -1.878 1.414 2.307) 3.294 10.894 ( 3.293 -0.219 0.465) 3.333 11.089 ( -0.314 2.982 2.048) 3.631 11.163 ( -4.155 1.342 -1.029) 4.486 11.311 ( 4.552 4.336 0.322) 6.295 11.435 ( 8.375 4.922 -2.585) 10.052 11.686 ( -2.197 2.883 3.770) 5.230 11.809 ( -1.162 1.983 0.882) 2.462 12.003 ( -0.358 5.323 -0.532) 5.361 12.011 ( 2.711 2.150 0.445) 3.489 12.237 ( 0.287 1.982 0.531) 2.071 12.342 ( 2.416 -0.406 -1.283) 2.766 12.492 ( 3.722 0.889 -1.609) 4.151 12.529 ( -0.369 1.076 -5.379) 5.498 12.811 ( -3.771 3.749 -2.935) 6.074 12.875 ( 6.344 4.210 -0.323) 7.620 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.324 -15.307 11.881) 19.853 1.983 ( 5.307 -13.801 15.235) 21.231 2.195 ( 5.961 -5.349 -0.094) 8.010 2.474 ( 9.122 -5.152 -1.814) 10.632 2.605 ( -3.204 -3.442 -11.254) 12.197 2.787 ( 13.236 -2.442 0.069) 13.460 3.895 ( -14.207 7.631 6.929) 17.552 4.193 ( -1.933 1.556 7.396) 7.801 4.352 ( -5.211 0.289 6.349) 8.219 4.596 ( -2.861 8.625 8.338) 12.332 4.721 ( 0.351 9.214 -2.167) 9.472 5.055 ( -1.342 3.064 3.407) 4.775 5.187 ( -1.323 5.242 -0.272) 5.413 5.453 ( 2.993 -4.177 -9.078) 10.431 5.639 ( 0.998 -6.767 0.718) 6.878 5.820 ( 1.619 -1.535 -7.555) 7.878 5.999 ( 0.544 -5.360 -1.479) 5.587 6.131 ( 2.127 0.995 -6.288) 6.712 6.760 ( -0.793 -7.446 2.128) 7.785 6.886 ( 1.366 -7.716 -2.144) 8.124 7.480 ( -0.959 -4.693 3.935) 6.199 7.726 ( 1.195 -3.624 -1.799) 4.219 8.066 ( 0.081 -11.561 0.570) 11.575 8.142 ( 1.534 -6.443 -1.183) 6.727 8.347 ( -2.123 -9.303 -2.929) 9.981 8.475 ( 3.509 -8.269 -2.877) 9.432 8.728 ( -5.391 -4.567 6.993) 9.941 8.948 ( -4.780 0.589 1.597) 5.074 9.049 ( -1.855 1.629 -1.381) 2.829 9.273 ( -6.013 -4.412 -6.280) 9.750 9.357 ( 0.386 1.065 2.125) 2.408 9.519 ( 5.266 -0.267 1.757) 5.558 9.819 ( -9.285 -3.777 -1.627) 10.155 10.103 ( -1.918 -0.607 0.402) 2.052 10.178 ( 1.355 1.606 1.139) 2.390 10.340 ( 0.311 -1.300 1.683) 2.149 10.482 ( 0.771 -2.336 -2.860) 3.772 10.608 ( 4.154 -3.889 0.176) 5.694 10.781 ( -0.807 3.365 2.424) 4.224 10.890 ( 2.180 4.152 -0.534) 4.720 10.970 ( -3.006 6.921 0.251) 7.550 11.109 ( -3.260 0.290 -0.231) 3.281 11.259 ( 7.843 9.930 -0.683) 12.673 11.410 ( 7.638 1.588 1.004) 7.866 11.586 ( -2.319 6.515 2.859) 7.483 11.761 ( 2.198 4.807 -2.715) 5.942 11.851 ( -2.445 6.994 2.388) 7.784 11.928 ( 0.274 6.060 -2.514) 6.566 12.249 ( 1.067 0.301 1.744) 2.067 12.352 ( 3.378 1.240 -4.039) 5.409 12.461 ( -1.026 -0.403 -3.464) 3.635 12.533 ( 3.768 1.426 0.973) 4.145 12.693 ( -2.652 3.913 -1.977) 5.124 12.857 ( 4.999 2.515 -0.292) 5.603 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 1.232 -12.857 3.223) 13.312 2.288 ( 4.855 -7.855 13.666) 16.493 2.355 ( 1.401 -11.379 -2.388) 11.711 2.609 ( 2.969 -2.803 -7.261) 8.330 2.646 ( 4.518 -3.496 -2.306) 6.161 2.982 ( 11.983 -6.693 1.482) 13.805 3.688 ( -10.289 4.897 6.992) 13.369 4.146 ( -1.280 4.212 7.177) 8.420 4.293 ( -3.880 2.913 4.985) 6.957 4.404 ( -5.341 10.275 9.994) 15.297 4.540 ( 1.520 9.165 -5.452) 10.772 4.932 ( -3.351 6.892 -1.373) 7.785 5.162 ( -2.814 -2.066 0.822) 3.587 5.490 ( 3.798 -0.122 -0.859) 3.896 5.765 ( 1.574 -4.017 3.644) 5.648 5.863 ( 0.611 -2.082 -9.592) 9.834 6.056 ( 0.726 -3.714 -7.748) 8.622 6.195 ( 2.081 -5.534 0.095) 5.913 6.899 ( 0.496 -6.119 2.437) 6.606 7.019 ( 0.683 -5.601 -1.184) 5.765 7.586 ( 0.667 -4.895 3.735) 6.193 7.788 ( -1.805 -2.890 0.497) 3.443 8.220 ( 0.901 -4.504 -2.607) 5.282 8.332 ( 1.505 -11.331 -0.156) 11.431 8.478 ( -2.473 -5.829 -4.042) 7.512 8.636 ( 1.323 -5.610 -2.836) 6.424 8.792 ( -4.187 -5.986 4.379) 8.517 8.962 ( -2.732 -5.557 1.033) 6.278 8.998 ( -0.207 0.374 -2.352) 2.390 9.274 ( -4.783 -3.250 -4.739) 7.476 9.418 ( 3.658 -4.090 2.358) 5.972 9.577 ( 3.106 -1.756 -0.704) 3.637 9.851 ( -5.092 -5.401 -0.443) 7.436 10.052 ( 0.532 6.754 -0.614) 6.803 10.129 ( -5.763 1.148 1.986) 6.203 10.329 ( -0.201 3.379 1.546) 3.721 10.473 ( -2.517 3.380 -2.393) 4.847 10.655 ( 2.450 1.396 -1.482) 3.186 10.729 ( 1.993 3.751 2.812) 5.094 10.800 ( -0.152 4.322 0.513) 4.355 10.867 ( 1.440 1.564 -1.018) 2.357 11.052 ( 2.301 7.455 -0.271) 7.807 11.153 ( 1.433 0.640 -0.401) 1.620 11.380 ( -3.019 7.467 3.227) 8.676 11.479 ( 2.235 6.398 -0.052) 6.777 11.641 ( 4.563 3.244 -3.766) 6.747 11.788 ( 0.029 2.752 -0.637) 2.825 11.851 ( 3.434 2.014 2.745) 4.836 12.208 ( -3.760 2.405 0.806) 4.536 12.312 ( 1.158 2.413 -3.649) 4.525 12.511 ( 4.322 -0.613 -0.372) 4.381 12.527 ( 1.100 0.500 0.679) 1.386 12.631 ( -0.898 0.503 -0.070) 1.032 12.857 ( 2.362 0.917 -1.497) 2.943 ======================= Grid point 170 (75/140) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -1.569 0.431 -1.007) 1.914 2.479 ( 3.574 -2.231 1.090) 4.352 2.586 ( 1.773 -6.983 2.904) 7.768 2.664 ( 0.956 -4.916 -0.836) 5.077 2.741 ( 0.951 -3.821 1.694) 4.286 3.216 ( 4.004 -7.884 4.015) 9.712 3.592 ( -5.154 -0.558 8.171) 9.677 4.058 ( -2.248 4.030 5.038) 6.832 4.197 ( -6.876 6.009 9.005) 12.825 4.247 ( -1.725 3.224 4.039) 5.448 4.392 ( 1.175 5.019 -7.715) 9.279 4.823 ( 1.206 2.230 1.580) 2.987 5.134 ( -0.949 0.645 -9.566) 9.634 5.507 ( 3.458 4.257 1.897) 5.803 5.774 ( -3.667 3.813 3.280) 6.224 5.904 ( 2.238 -4.665 -3.727) 6.377 6.126 ( 3.139 -2.679 -4.632) 6.203 6.320 ( 0.593 -5.982 -0.070) 6.012 6.996 ( 0.631 -2.515 1.996) 3.273 7.097 ( 0.511 -2.260 -0.341) 2.342 7.669 ( 0.123 -1.435 3.579) 3.858 7.799 ( -3.351 -0.647 1.774) 3.846 8.275 ( 1.074 -1.813 -4.326) 4.813 8.441 ( -4.844 0.090 1.950) 5.222 8.563 ( 4.327 -5.590 -4.556) 8.410 8.679 ( 1.469 0.489 -2.865) 3.257 8.896 ( -1.968 -4.084 -0.698) 4.587 9.014 ( 1.075 -3.338 -2.138) 4.107 9.081 ( 0.174 -5.148 -0.760) 5.206 9.324 ( -1.698 -5.005 -0.632) 5.323 9.522 ( 0.252 -2.488 0.005) 2.501 9.657 ( 3.648 -4.078 -2.459) 5.999 9.813 ( -0.213 9.796 2.350) 10.076 9.922 ( -2.350 2.429 -0.663) 3.444 10.076 ( 0.780 1.499 1.558) 2.298 10.205 ( -4.240 3.590 -2.457) 6.075 10.423 ( -1.286 -1.524 2.040) 2.853 10.577 ( -0.458 7.558 0.034) 7.572 10.680 ( 1.033 3.705 -1.073) 3.993 10.760 ( -0.861 -2.833 -0.000) 2.961 10.893 ( 0.751 -0.697 -1.580) 1.883 10.986 ( 4.042 1.353 0.287) 4.272 11.171 ( -3.091 3.335 0.772) 4.612 11.241 ( -1.526 -0.665 5.023) 5.291 11.376 ( 0.931 3.075 -1.161) 3.417 11.638 ( 1.354 1.886 -2.132) 3.152 11.776 ( 4.303 -0.505 -4.053) 5.933 11.875 ( 3.758 0.799 3.933) 5.498 12.130 ( -5.682 0.766 -1.888) 6.036 12.291 ( 0.352 -0.031 1.159) 1.212 12.485 ( 1.883 3.049 2.099) 4.153 12.572 ( 1.140 -1.389 -0.118) 1.801 12.648 ( 1.158 -1.339 -0.731) 1.915 12.847 ( -0.556 0.431 -2.148) 2.260 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -1.479 2.226 -0.158) 2.677 2.418 ( 0.194 9.312 3.113) 9.821 2.543 ( -3.029 10.340 2.613) 11.087 2.749 ( -0.257 0.652 -2.823) 2.909 2.816 ( -3.512 -4.272 0.766) 5.583 3.276 ( -5.942 1.071 -0.104) 6.039 3.734 ( 2.160 -11.559 12.865) 17.429 4.057 ( -2.032 -4.706 7.501) 9.085 4.082 ( -4.806 2.754 -2.107) 5.926 4.204 ( -1.240 -0.509 6.640) 6.774 4.366 ( 0.644 -3.395 -3.500) 4.919 4.872 ( 2.882 -3.387 3.001) 5.365 5.120 ( 5.724 -1.001 -11.528) 12.909 5.367 ( -1.488 12.024 6.329) 13.669 5.656 ( -3.625 4.894 2.138) 6.455 5.984 ( 4.161 -1.231 -4.209) 6.046 6.163 ( 2.369 0.039 -4.378) 4.978 6.413 ( 0.029 -3.098 -1.230) 3.333 7.012 ( 0.052 1.574 1.336) 2.065 7.094 ( -0.856 2.813 -0.111) 2.943 7.659 ( -2.465 2.012 5.178) 6.078 7.775 ( -0.481 2.174 0.972) 2.430 8.291 ( 2.403 0.422 -5.380) 5.908 8.374 ( -2.944 3.311 1.364) 4.636 8.581 ( 1.358 4.433 -0.948) 4.733 8.689 ( 3.586 1.987 -4.214) 5.879 8.902 ( -1.617 -0.837 -2.282) 2.920 9.003 ( 2.153 6.990 -0.266) 7.319 9.155 ( 1.889 -0.133 -2.409) 3.064 9.315 ( 0.952 6.121 -1.847) 6.464 9.471 ( -5.223 1.662 1.538) 5.693 9.679 ( 0.638 4.354 -1.838) 4.769 9.771 ( 5.008 -2.477 4.418) 7.122 9.869 ( 4.038 1.623 -0.286) 4.361 10.156 ( 1.724 -6.947 -2.734) 7.662 10.194 ( -0.990 -4.538 -0.520) 4.673 10.412 ( -1.169 1.008 2.669) 3.084 10.549 ( 0.662 -3.434 0.043) 3.497 10.642 ( -0.516 -0.993 0.305) 1.160 10.797 ( -2.515 0.620 1.397) 2.943 10.877 ( -2.044 -2.122 -0.196) 2.953 11.022 ( 0.287 -2.282 -2.464) 3.371 11.114 ( -2.322 -1.803 0.676) 3.017 11.284 ( -0.045 -1.521 0.882) 1.759 11.424 ( -0.378 -6.527 1.229) 6.652 11.591 ( -0.551 1.855 -0.296) 1.957 11.783 ( 0.927 1.843 -2.697) 3.396 11.928 ( 3.248 -2.569 0.210) 4.147 12.095 ( -4.959 -3.247 -2.242) 6.338 12.307 ( 0.198 -0.085 1.744) 1.758 12.475 ( 1.562 -0.012 3.016) 3.397 12.601 ( 0.856 -1.050 0.114) 1.360 12.664 ( 0.277 0.342 -2.708) 2.743 12.823 ( -2.424 -0.346 -1.581) 2.915 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -5.445 9.629 5.856) 12.516 2.166 ( -7.603 16.151 8.769) 19.889 2.281 ( 0.306 11.356 0.392) 11.367 2.542 ( -6.425 13.795 -2.630) 15.443 2.850 ( -6.353 -2.600 -5.182) 8.600 3.164 ( -7.366 2.708 -2.796) 8.331 3.993 ( 0.242 -3.846 -3.530) 5.226 4.065 ( 2.328 -9.570 9.886) 13.955 4.205 ( 2.289 -6.360 8.717) 11.031 4.318 ( -3.057 -9.900 9.651) 14.159 4.477 ( 1.254 -7.192 -0.947) 7.361 4.942 ( 1.331 3.209 3.985) 5.286 5.137 ( -3.778 3.195 6.740) 8.361 5.216 ( 10.886 -1.074 -6.920) 12.943 5.570 ( -1.420 2.068 0.848) 2.648 5.986 ( 3.520 2.956 -5.414) 7.102 6.129 ( 1.169 3.557 -7.326) 8.227 6.416 ( -1.787 0.961 -4.524) 4.958 6.939 ( 0.194 6.930 0.523) 6.953 6.993 ( -2.004 5.549 0.499) 5.921 7.602 ( -3.387 3.038 5.887) 7.441 7.712 ( 1.047 4.467 -0.120) 4.590 8.230 ( 1.613 7.878 -3.322) 8.700 8.280 ( -1.491 4.288 -0.169) 4.543 8.477 ( 2.072 7.966 -0.996) 8.291 8.587 ( 2.762 8.240 -3.005) 9.196 8.843 ( -0.211 5.559 0.829) 5.625 8.914 ( 1.299 4.526 1.067) 4.828 9.076 ( 4.685 5.211 1.575) 7.182 9.269 ( 3.603 0.892 -6.192) 7.220 9.409 ( -3.604 2.115 0.233) 4.185 9.578 ( -0.865 4.173 1.604) 4.553 9.823 ( 7.216 0.475 -0.371) 7.241 10.012 ( 3.842 -7.756 1.441) 8.775 10.194 ( -2.642 -1.377 -0.778) 3.079 10.327 ( 4.257 -0.841 0.672) 4.391 10.411 ( 1.256 -0.954 -0.472) 1.647 10.615 ( -7.129 0.059 4.967) 8.689 10.690 ( 2.905 -8.320 -0.501) 8.827 10.832 ( 0.325 -5.568 1.273) 5.720 10.938 ( 0.128 -2.886 -2.013) 3.521 11.048 ( -3.456 -4.123 -2.550) 5.954 11.153 ( -4.503 -3.871 -0.208) 5.942 11.308 ( -0.714 -1.661 1.024) 2.078 11.530 ( -0.922 -4.069 0.664) 4.224 11.633 ( -0.336 -7.534 -1.657) 7.721 11.742 ( -1.227 0.349 0.027) 1.276 11.996 ( -1.338 -3.357 0.456) 3.642 12.148 ( -2.157 -4.542 -0.227) 5.033 12.306 ( 0.641 -0.239 -2.261) 2.362 12.502 ( 2.476 1.641 1.838) 3.493 12.611 ( -4.456 -0.047 -2.642) 5.180 12.644 ( 2.027 -1.012 -1.601) 2.775 12.832 ( -3.028 -3.706 -0.775) 4.848 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -11.320 20.237 12.245) 26.223 1.782 ( -7.571 18.582 16.296) 25.849 2.126 ( -4.804 11.694 -0.135) 12.643 2.262 ( -2.691 4.377 3.354) 6.136 2.752 ( -7.809 4.610 -4.183) 9.987 3.061 ( -7.298 -0.354 -8.559) 11.253 4.057 ( 3.667 -3.054 1.043) 4.885 4.237 ( -2.105 -2.991 7.361) 8.220 4.401 ( -2.617 -9.558 4.463) 10.868 4.499 ( 1.546 -6.037 10.584) 12.282 4.632 ( 7.285 -3.548 2.685) 8.537 4.843 ( 0.045 -0.023 5.944) 5.944 5.213 ( 1.930 -6.274 -6.544) 9.269 5.339 ( 8.010 -2.962 1.292) 8.637 5.557 ( -0.438 -1.024 -0.207) 1.133 5.903 ( 1.906 6.653 -5.351) 8.748 6.016 ( -1.267 4.401 -8.588) 9.732 6.332 ( -3.516 3.285 -6.835) 8.358 6.787 ( 0.509 8.495 0.655) 8.536 6.860 ( -0.911 7.295 0.016) 7.352 7.525 ( -4.877 2.872 5.508) 7.898 7.644 ( 3.628 4.226 -1.807) 5.855 8.029 ( 0.420 11.351 0.108) 11.360 8.186 ( -2.025 5.535 -0.398) 5.907 8.316 ( 4.615 9.272 -3.005) 10.784 8.455 ( 0.512 6.926 -2.959) 7.549 8.752 ( -1.336 4.563 4.323) 6.426 8.864 ( 5.375 2.633 3.865) 7.125 9.059 ( 3.224 3.250 2.564) 5.247 9.287 ( 6.674 -0.661 -4.934) 8.326 9.358 ( 0.303 0.537 -2.224) 2.308 9.546 ( -3.066 -1.126 1.619) 3.646 9.885 ( 6.313 -1.035 -3.196) 7.151 10.095 ( 0.816 1.845 0.413) 2.060 10.220 ( -3.081 -3.736 0.265) 4.849 10.311 ( 3.914 4.477 2.460) 6.435 10.420 ( -0.075 0.664 -1.465) 1.610 10.609 ( -4.060 -1.267 3.917) 5.782 10.831 ( 1.848 -2.450 -0.924) 3.205 10.903 ( -3.275 -2.862 -0.781) 4.419 10.967 ( 0.361 -2.897 -0.091) 2.921 11.108 ( -2.861 -2.218 -0.978) 3.750 11.197 ( 0.872 -6.013 -0.069) 6.076 11.396 ( -6.612 -8.200 3.081) 10.975 11.575 ( 1.094 -2.051 -1.757) 2.915 11.753 ( 0.531 -4.393 1.497) 4.672 11.825 ( 0.301 -8.395 -0.064) 8.401 12.033 ( -3.863 -2.529 1.051) 4.735 12.178 ( -1.842 -0.667 0.895) 2.154 12.338 ( 0.276 -3.430 -5.044) 6.106 12.431 ( 2.167 5.953 -1.958) 6.630 12.602 ( -3.519 -2.850 -0.711) 4.584 12.678 ( 1.710 -0.867 -0.855) 2.099 12.898 ( -4.305 -6.293 -2.115) 7.913 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -6.862 12.474 20.976) 25.351 1.467 ( -6.122 14.026 25.719) 29.928 1.872 ( -1.642 9.916 14.991) 18.049 2.268 ( -1.326 -3.658 0.227) 3.897 2.556 ( -4.284 8.576 -2.466) 9.898 2.974 ( -10.207 -0.945 -11.025) 15.055 4.144 ( 2.467 -0.403 5.521) 6.060 4.249 ( -4.146 -2.329 6.873) 8.358 4.458 ( -2.015 0.579 1.634) 2.658 4.674 ( 6.070 -6.282 1.472) 8.859 4.738 ( 5.332 -3.364 2.545) 6.798 5.031 ( 3.476 -10.163 5.254) 11.958 5.238 ( 3.007 4.008 -9.671) 10.892 5.414 ( 0.355 0.585 -6.403) 6.439 5.595 ( -1.679 -3.808 2.358) 4.783 5.796 ( 3.282 3.401 -1.440) 4.941 5.935 ( -3.485 0.246 -2.509) 4.301 6.211 ( -1.831 3.954 -7.444) 8.626 6.656 ( 0.075 4.982 0.326) 4.993 6.723 ( 1.125 6.418 -1.781) 6.755 7.453 ( -4.701 1.735 4.714) 6.880 7.607 ( 5.217 2.908 -3.878) 7.121 7.866 ( 0.386 5.846 2.110) 6.227 8.022 ( 0.455 8.197 -3.603) 8.965 8.232 ( 1.169 3.087 -0.860) 3.411 8.326 ( -0.553 4.829 -2.661) 5.541 8.680 ( -2.578 2.907 8.094) 8.978 8.921 ( 6.804 -0.990 4.362) 8.143 9.023 ( 3.348 3.774 4.322) 6.643 9.330 ( 3.800 0.032 -8.536) 9.344 9.406 ( 0.930 -4.318 -0.150) 4.419 9.540 ( -4.891 -1.070 -1.208) 5.150 9.957 ( 7.791 -1.355 -2.911) 8.427 10.035 ( -2.411 2.669 0.527) 3.635 10.231 ( -3.700 -0.646 -0.957) 3.876 10.263 ( 1.890 3.002 0.949) 3.672 10.405 ( -1.146 0.251 -0.026) 1.174 10.527 ( -3.704 5.961 -1.444) 7.165 10.849 ( -0.382 -0.811 1.010) 1.350 10.906 ( -5.605 -0.734 0.488) 5.674 11.053 ( 1.055 -3.487 2.924) 4.672 11.144 ( 7.058 -0.652 -0.408) 7.100 11.313 ( -3.558 -5.761 1.125) 6.863 11.418 ( -6.050 -1.656 -4.354) 7.636 11.677 ( 1.184 -4.960 4.625) 6.884 11.819 ( 0.111 -1.050 1.535) 1.863 11.962 ( 0.633 -4.470 0.225) 4.521 12.037 ( -3.051 -1.682 0.444) 3.512 12.201 ( 2.201 -2.400 1.149) 3.453 12.331 ( 0.238 2.629 -0.975) 2.814 12.415 ( 3.376 -1.597 -2.670) 4.591 12.618 ( -3.998 -2.271 -4.015) 6.104 12.728 ( 5.555 -2.173 0.766) 6.014 12.946 ( -5.778 -3.621 -3.165) 7.518 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 11.967 0.000 19.480) 22.862 1.588 ( 9.661 0.000 16.328) 18.972 2.113 ( 8.268 0.000 -0.046) 8.268 2.450 ( 7.992 0.000 -19.616) 21.182 2.544 ( 15.712 0.000 24.718) 29.289 2.626 ( -3.394 -0.000 -1.112) 3.571 4.086 ( -10.537 -0.000 9.568) 14.232 4.237 ( -6.977 -0.000 7.981) 10.601 4.288 ( -10.952 -0.000 -2.700) 11.280 4.883 ( 0.509 0.000 -13.536) 13.545 4.898 ( 5.105 0.000 3.015) 5.929 5.059 ( 3.918 0.000 -4.678) 6.101 5.173 ( -6.991 -0.000 0.799) 7.036 5.387 ( 4.508 0.000 -6.862) 8.210 5.553 ( -6.563 -0.000 5.760) 8.732 5.847 ( 3.439 0.000 -5.766) 6.714 5.854 ( -3.298 -0.000 5.376) 6.307 6.210 ( 7.714 0.000 -5.065) 9.229 6.611 ( -0.287 -0.000 -1.330) 1.360 6.653 ( 1.376 0.000 -2.664) 2.999 7.372 ( -2.736 -0.000 2.336) 3.597 7.634 ( 1.517 0.000 -3.206) 3.547 7.804 ( -2.223 -0.000 2.094) 3.054 7.977 ( 3.976 0.000 -4.570) 6.058 8.161 ( -0.970 -0.000 0.483) 1.084 8.300 ( 1.763 0.000 -1.160) 2.110 8.632 ( -5.466 -0.000 10.035) 11.427 9.001 ( -3.043 -0.000 -3.263) 4.462 9.004 ( -8.518 -0.000 6.194) 10.532 9.165 ( -5.368 -0.000 -7.544) 9.259 9.450 ( 3.323 0.000 2.645) 4.247 9.518 ( 2.660 0.000 -0.317) 2.678 9.758 ( -14.284 -0.000 1.389) 14.352 10.024 ( -7.403 -0.000 -2.052) 7.682 10.237 ( 6.603 0.000 -1.368) 6.744 10.256 ( -0.223 -0.000 0.820) 0.850 10.429 ( 2.903 0.000 0.942) 3.052 10.477 ( 6.818 0.000 -0.285) 6.824 10.849 ( -0.791 -0.000 3.395) 3.486 10.928 ( 4.992 0.000 0.531) 5.020 11.107 ( -2.095 -0.000 -0.535) 2.162 11.153 ( -2.570 -0.000 0.034) 2.571 11.378 ( 4.487 0.000 0.984) 4.593 11.568 ( 8.943 0.000 -4.295) 9.921 11.702 ( -2.277 -0.000 5.131) 5.613 11.822 ( -0.228 -0.000 0.983) 1.009 12.039 ( 1.545 0.000 1.470) 2.133 12.064 ( 0.077 0.000 -0.876) 0.880 12.284 ( -3.790 -0.000 1.017) 3.924 12.325 ( 5.653 0.000 -3.423) 6.609 12.514 ( 1.197 0.000 -7.262) 7.360 12.558 ( 6.081 0.000 -0.227) 6.085 12.803 ( -2.322 -0.000 -4.448) 5.018 12.989 ( 5.835 0.000 -0.786) 5.888 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 10.269 -3.545 10.640) 15.206 1.875 ( 12.102 -10.023 10.992) 19.176 2.201 ( 7.689 -1.840 3.736) 8.745 2.454 ( 3.119 -3.259 -17.779) 18.342 2.594 ( 10.806 3.469 6.532) 13.095 2.853 ( 15.371 -4.740 7.625) 17.801 3.924 ( -15.810 6.669 9.160) 19.451 4.193 ( -3.138 0.107 5.780) 6.578 4.249 ( -11.636 -5.131 4.274) 13.416 4.761 ( 0.219 7.716 0.372) 7.728 4.870 ( -0.783 7.754 -2.817) 8.287 5.100 ( -5.610 1.255 -0.795) 5.803 5.161 ( -0.846 -7.708 -5.203) 9.338 5.394 ( 5.971 1.773 -9.463) 11.329 5.529 ( -3.884 -3.009 4.663) 6.773 5.805 ( -1.508 1.479 -1.809) 2.780 5.930 ( 2.668 -4.478 -0.230) 5.218 6.221 ( 7.527 4.190 -4.787) 9.855 6.642 ( 0.479 -4.686 0.837) 4.784 6.744 ( 1.306 -7.125 -2.545) 7.677 7.397 ( -1.275 -3.780 2.176) 4.544 7.662 ( -0.179 -2.814 -1.774) 3.332 7.865 ( -1.991 -7.745 2.232) 8.302 8.055 ( 3.970 -5.195 -3.293) 7.320 8.188 ( -1.624 -3.923 -0.628) 4.292 8.363 ( 1.844 -5.257 -1.101) 5.679 8.636 ( -5.373 -2.320 8.098) 9.991 8.921 ( -7.515 0.887 2.372) 7.931 8.998 ( -4.751 -2.443 -2.843) 6.052 9.120 ( -6.284 -3.014 -8.207) 10.766 9.424 ( 1.072 4.461 2.252) 5.111 9.557 ( 2.717 -0.533 2.057) 3.449 9.674 ( -9.216 -2.465 1.016) 9.594 9.989 ( -7.571 -3.386 -0.531) 8.310 10.235 ( -0.038 0.035 -0.844) 0.845 10.335 ( 2.754 -3.299 -1.832) 4.672 10.449 ( 4.585 0.855 1.139) 4.802 10.575 ( 5.406 -2.924 0.938) 6.217 10.834 ( -1.000 1.568 3.398) 3.873 10.961 ( 2.661 1.209 0.175) 2.928 11.047 ( -1.783 3.755 -0.990) 4.273 11.118 ( -0.746 2.005 0.442) 2.185 11.418 ( 3.852 0.678 2.214) 4.494 11.543 ( 4.371 6.228 -3.953) 8.575 11.680 ( 0.236 3.350 3.995) 5.219 11.825 ( 2.825 0.986 0.203) 2.999 11.957 ( -3.716 6.222 -1.189) 7.344 12.055 ( 1.297 4.118 0.967) 4.425 12.239 ( -0.905 -0.461 0.030) 1.016 12.388 ( 5.749 -0.037 -3.194) 6.576 12.483 ( 2.645 2.455 -5.947) 6.956 12.601 ( 5.218 0.941 1.248) 5.447 12.753 ( 1.265 3.388 -4.141) 5.498 12.972 ( 3.814 4.612 0.065) 5.985 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 7.649 -10.849 5.236) 14.270 2.159 ( 7.554 -8.468 0.749) 11.373 2.321 ( 6.713 -2.427 7.919) 10.662 2.558 ( 5.876 -6.169 -5.737) 10.271 2.669 ( 12.298 1.185 1.139) 12.407 3.003 ( 7.975 -0.885 -0.319) 8.031 3.709 ( -12.231 5.132 7.914) 15.446 4.174 ( -5.416 -0.842 7.472) 9.267 4.286 ( -6.910 -1.755 7.591) 10.414 4.573 ( -5.026 10.067 3.699) 11.844 4.696 ( -0.602 8.828 -4.209) 9.799 5.000 ( -2.794 2.067 0.736) 3.553 5.187 ( -0.991 5.226 4.125) 6.731 5.436 ( 1.305 -5.567 -9.479) 11.070 5.631 ( -0.641 -8.557 -4.033) 9.482 5.789 ( 0.246 -2.417 -5.961) 6.437 6.030 ( 5.421 -2.007 -2.711) 6.384 6.196 ( 5.248 2.199 0.508) 5.713 6.783 ( 2.017 -7.682 1.556) 8.093 6.892 ( 0.730 -7.619 -1.449) 7.789 7.495 ( 0.505 -5.876 1.832) 6.176 7.712 ( -2.416 -3.369 0.713) 4.206 8.059 ( -1.117 -12.684 1.357) 12.805 8.175 ( 2.344 -4.748 -0.146) 5.297 8.300 ( -0.597 -9.256 -4.332) 10.237 8.508 ( 1.917 -8.137 -1.713) 8.534 8.663 ( -6.261 -3.669 5.946) 9.382 8.870 ( -5.022 -1.646 0.886) 5.359 8.989 ( -1.358 -0.440 -4.120) 4.360 9.121 ( -6.747 -5.322 -7.225) 11.227 9.382 ( -1.420 -0.603 2.631) 3.050 9.578 ( 0.185 -0.312 0.620) 0.718 9.700 ( -2.511 -4.708 0.455) 5.355 9.999 ( -7.836 -4.040 1.338) 8.917 10.204 ( -0.978 3.621 -0.484) 3.781 10.382 ( 2.257 -0.205 -1.743) 2.860 10.466 ( 1.619 0.974 -2.185) 2.888 10.666 ( 1.246 -2.240 2.424) 3.527 10.806 ( 0.543 2.025 1.483) 2.568 10.879 ( -3.142 5.755 1.166) 6.660 10.977 ( 3.556 4.945 -0.110) 6.092 11.082 ( 0.437 1.460 0.620) 1.646 11.358 ( 3.882 9.813 -0.904) 10.591 11.452 ( -3.166 3.006 0.499) 4.394 11.606 ( 0.626 6.064 0.626) 6.129 11.769 ( 1.630 7.006 -3.152) 7.854 11.854 ( 2.371 1.981 0.820) 3.196 11.973 ( 5.121 5.809 4.004) 8.717 12.234 ( -2.585 1.855 1.339) 3.453 12.357 ( -0.239 2.478 -4.023) 4.731 12.504 ( 8.131 -0.360 -4.515) 9.307 12.613 ( 3.207 2.218 2.125) 4.441 12.682 ( 3.115 4.453 -1.451) 5.625 12.918 ( 2.605 3.693 -1.021) 4.634 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 4.367 -5.498 0.842) 7.071 2.347 ( 0.513 -9.901 -2.754) 10.290 2.482 ( 8.397 -5.692 8.427) 13.188 2.672 ( 7.365 -0.417 -1.660) 7.561 2.749 ( 6.157 -0.335 0.342) 6.176 3.111 ( 1.322 -6.014 4.217) 7.463 3.575 ( -7.656 1.985 8.057) 11.290 4.152 ( -2.933 3.604 6.794) 8.231 4.222 ( -8.670 1.744 7.744) 11.755 4.354 ( -5.349 8.653 4.078) 10.960 4.493 ( -1.120 8.492 -6.487) 10.744 4.941 ( 1.924 6.858 4.480) 8.414 5.096 ( -1.436 0.486 -7.976) 8.119 5.515 ( -1.178 -3.775 -3.685) 5.405 5.752 ( -1.312 -5.364 0.103) 5.523 5.865 ( 5.692 -3.570 -7.672) 10.199 6.090 ( 6.648 -1.262 -4.592) 8.177 6.246 ( 1.711 -2.885 3.972) 5.199 6.940 ( 2.432 -5.406 1.634) 6.149 7.022 ( 0.409 -5.869 -0.538) 5.908 7.614 ( -0.204 -4.871 2.372) 5.421 7.745 ( -3.046 -2.671 1.924) 4.485 8.230 ( 1.734 -3.549 -1.380) 4.184 8.337 ( -1.039 -10.176 1.844) 10.394 8.434 ( 0.171 -6.866 -4.451) 8.184 8.646 ( 2.180 -4.730 -3.567) 6.312 8.751 ( -3.410 -8.129 2.601) 9.190 8.921 ( -2.416 -6.714 0.306) 7.142 8.989 ( 1.249 -2.091 -3.375) 4.162 9.163 ( -4.178 -6.727 -4.383) 9.051 9.433 ( -4.334 -5.062 2.113) 6.990 9.604 ( 2.240 -2.563 -1.929) 3.913 9.785 ( -2.660 -5.973 -0.992) 6.613 9.976 ( -8.934 1.324 0.467) 9.043 10.092 ( 1.255 5.540 0.896) 5.750 10.378 ( 3.987 6.519 -0.779) 7.682 10.397 ( -3.738 2.404 -1.051) 4.567 10.640 ( -2.419 3.253 -1.016) 4.179 10.733 ( -2.306 1.674 0.719) 2.939 10.827 ( -0.079 4.107 2.248) 4.682 10.917 ( 4.373 3.447 0.357) 5.580 11.051 ( -0.168 2.369 -1.290) 2.703 11.222 ( 4.484 5.963 1.124) 7.545 11.334 ( -3.949 6.724 4.984) 9.255 11.468 ( -0.843 6.369 -2.028) 6.737 11.690 ( 1.974 3.248 -0.991) 3.928 11.827 ( 4.920 2.297 -6.070) 8.144 11.976 ( 5.790 2.797 7.451) 9.841 12.137 ( -2.260 4.692 -0.536) 5.235 12.316 ( 0.144 1.512 -0.411) 1.574 12.536 ( 0.823 1.351 -0.637) 1.705 12.594 ( 2.719 1.722 0.887) 3.339 12.666 ( 5.832 1.034 -1.067) 6.018 12.867 ( 0.317 2.660 -2.195) 3.463 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.821 2.468 -0.623) 3.799 2.499 ( -0.147 -4.702 -2.331) 5.250 2.665 ( 2.583 0.136 1.793) 3.147 2.705 ( 3.679 1.084 0.342) 3.850 2.783 ( 3.587 -0.738 4.744) 5.993 3.208 ( -7.036 -2.916 3.545) 8.400 3.593 ( -2.030 -6.443 11.984) 13.756 4.046 ( -2.390 4.098 4.092) 6.265 4.108 ( -7.895 4.565 5.796) 10.805 4.228 ( -3.415 2.192 5.632) 6.941 4.360 ( 1.356 3.527 -5.853) 6.966 4.864 ( -0.808 1.427 3.325) 3.708 5.098 ( 5.099 -2.179 -11.546) 12.808 5.496 ( -3.360 2.006 -4.728) 6.138 5.765 ( -0.003 5.405 6.027) 8.096 5.963 ( 5.232 -3.441 -4.162) 7.518 6.164 ( 4.978 -1.762 -5.258) 7.452 6.339 ( 0.621 -4.290 1.789) 4.689 7.018 ( 0.497 -1.342 1.361) 1.975 7.105 ( 0.482 -1.697 -0.279) 1.786 7.653 ( -4.806 -0.779 6.208) 7.890 7.794 ( 2.305 -1.757 -0.849) 3.020 8.284 ( 2.637 -1.572 -2.974) 4.274 8.394 ( -1.624 0.279 0.954) 1.904 8.595 ( 2.337 -5.241 -3.258) 6.599 8.700 ( 1.823 -1.442 -3.690) 4.361 8.847 ( -1.844 -3.589 0.324) 4.048 9.020 ( 1.390 -5.237 -2.833) 6.114 9.107 ( 2.649 -4.846 -0.449) 5.541 9.284 ( -2.445 -8.605 -1.421) 9.058 9.450 ( -6.505 -0.889 1.531) 6.742 9.704 ( 2.950 -3.666 -3.528) 5.882 9.800 ( -4.768 5.537 -0.359) 7.316 9.855 ( -2.954 -3.070 -0.801) 4.335 10.080 ( -0.285 -2.495 0.903) 2.668 10.188 ( 2.095 7.415 -0.560) 7.725 10.417 ( -0.373 -2.878 1.430) 3.235 10.545 ( -2.651 5.544 -0.650) 6.180 10.694 ( 0.310 3.081 1.879) 3.622 10.739 ( -1.354 0.478 0.503) 1.521 10.885 ( -0.659 1.840 -1.453) 2.435 11.030 ( 1.304 0.862 -0.940) 1.824 11.130 ( -2.131 6.108 3.815) 7.511 11.272 ( 1.411 -0.336 2.606) 2.982 11.378 ( 0.239 1.784 0.058) 1.801 11.647 ( 1.194 2.927 -0.897) 3.286 11.822 ( 3.781 1.200 -7.409) 8.404 11.968 ( 1.152 2.452 2.539) 3.713 12.044 ( -0.040 2.831 0.233) 2.841 12.307 ( -0.007 -0.058 2.224) 2.225 12.500 ( -1.030 1.177 1.641) 2.267 12.603 ( 1.380 0.201 0.882) 1.650 12.698 ( 5.610 1.032 -2.516) 6.234 12.811 ( -1.974 1.736 -1.697) 3.129 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 1.712 4.534 2.826) 5.610 2.453 ( 2.122 13.121 3.447) 13.731 2.522 ( -0.504 10.333 1.247) 10.420 2.688 ( -3.403 0.854 -4.101) 5.397 2.788 ( -0.652 6.313 0.242) 6.351 3.123 ( -10.899 1.822 -0.578) 11.065 3.799 ( -3.645 -11.343 8.541) 14.660 4.013 ( -2.214 -0.064 2.924) 3.669 4.083 ( 0.653 -7.700 7.413) 10.709 4.228 ( -0.469 -1.712 6.261) 6.508 4.361 ( 0.542 -4.103 -1.353) 4.354 4.895 ( -0.632 -4.575 -0.242) 4.625 5.190 ( 8.645 -3.024 -7.902) 12.096 5.367 ( -2.953 8.076 3.998) 9.483 5.645 ( 0.638 7.111 5.022) 8.729 6.019 ( 1.563 -0.482 -5.175) 5.427 6.189 ( 4.023 1.781 -5.510) 7.051 6.390 ( -1.239 -0.775 -3.115) 3.440 7.019 ( -0.384 1.718 0.994) 2.022 7.077 ( -0.563 4.016 -0.175) 4.059 7.628 ( -4.624 1.309 7.820) 9.179 7.806 ( 3.329 2.797 -1.778) 4.698 8.309 ( 2.316 1.212 -3.735) 4.559 8.355 ( 1.091 3.278 -1.495) 3.764 8.604 ( 1.935 3.359 -0.555) 3.916 8.705 ( 0.554 2.124 -2.423) 3.269 8.906 ( 2.588 -1.148 -0.498) 2.875 9.018 ( -0.113 5.518 -0.714) 5.566 9.179 ( 2.502 -0.873 -2.227) 3.461 9.307 ( -3.094 4.285 0.328) 5.295 9.386 ( -3.125 1.686 0.785) 3.636 9.651 ( -2.671 2.826 -1.862) 4.311 9.833 ( 0.652 -6.679 2.210) 7.065 9.921 ( 2.240 -2.778 -0.693) 3.635 10.134 ( -1.885 -3.342 -0.113) 3.839 10.240 ( 5.082 -8.458 -1.760) 10.023 10.429 ( 1.243 1.962 1.695) 2.876 10.513 ( -3.765 -4.360 2.420) 6.248 10.663 ( 2.065 0.472 -0.297) 2.139 10.757 ( -2.922 -2.425 1.154) 3.969 10.856 ( -0.608 -1.484 0.747) 1.769 10.995 ( -1.373 1.261 -2.933) 3.476 11.078 ( -1.788 -0.487 2.522) 3.130 11.295 ( 0.793 -0.900 -0.448) 1.280 11.418 ( -1.167 -5.078 1.113) 5.327 11.593 ( 0.812 2.466 -1.331) 2.918 11.775 ( 0.854 3.157 -4.778) 5.790 11.928 ( -3.562 -0.611 -1.577) 3.943 12.081 ( 3.832 -2.685 2.224) 5.180 12.312 ( -0.534 -0.111 0.992) 1.132 12.501 ( -0.398 -1.163 1.579) 2.001 12.598 ( -1.259 0.909 -1.446) 2.122 12.698 ( 5.695 2.817 -2.622) 6.874 12.768 ( -3.462 -0.131 0.422) 3.490 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -3.026 15.588 9.731) 18.624 2.134 ( -2.775 17.975 10.336) 20.919 2.312 ( 2.751 11.995 -1.024) 12.349 2.490 ( 2.376 15.447 0.562) 15.639 2.706 ( -4.467 -1.294 -7.393) 8.734 2.977 ( -10.477 2.250 -8.014) 13.381 3.959 ( -5.101 -8.861 3.071) 10.676 4.098 ( -1.523 -6.481 4.150) 7.845 4.280 ( 0.420 -5.099 5.270) 7.345 4.352 ( 0.771 -11.510 9.800) 15.137 4.508 ( 0.621 -9.755 3.208) 10.288 5.008 ( 3.989 -3.160 -0.643) 5.129 5.111 ( -2.636 8.260 9.139) 12.598 5.374 ( 7.873 -3.860 -2.975) 9.259 5.575 ( 2.228 2.868 1.828) 4.066 5.978 ( -0.895 3.087 -6.294) 7.067 6.123 ( 3.288 6.568 -7.905) 10.790 6.326 ( -4.341 2.649 -7.195) 8.811 6.933 ( -2.082 6.512 0.994) 6.908 6.984 ( 1.275 5.746 -0.107) 5.886 7.567 ( -4.066 3.386 7.082) 8.840 7.753 ( 3.417 4.597 -1.870) 6.025 8.227 ( 0.854 7.808 -2.923) 8.380 8.274 ( 0.645 5.687 -0.799) 5.779 8.518 ( 3.405 8.049 -0.777) 8.774 8.613 ( 1.490 7.872 -3.228) 8.637 8.853 ( 0.144 5.774 1.959) 6.099 8.959 ( 2.149 2.213 1.055) 3.260 9.109 ( -3.156 3.067 3.406) 5.565 9.295 ( 1.187 -1.877 -0.134) 2.225 9.366 ( 2.174 -0.507 -3.535) 4.181 9.538 ( -4.010 4.277 -1.266) 5.998 9.912 ( 3.081 -0.151 0.714) 3.166 10.048 ( 1.058 -5.715 -1.647) 6.041 10.171 ( -1.442 -2.159 4.029) 4.794 10.402 ( 1.058 2.327 3.817) 4.594 10.432 ( 3.619 -3.068 -4.767) 6.726 10.549 ( -2.433 -2.849 3.291) 4.987 10.730 ( 0.697 -6.294 -0.537) 6.355 10.819 ( -0.891 -4.823 0.452) 4.925 10.925 ( -1.057 -1.118 -3.361) 3.696 10.959 ( -2.706 -5.957 -0.869) 6.600 11.134 ( 0.757 -4.609 3.572) 5.880 11.299 ( -0.838 0.839 -0.400) 1.252 11.504 ( -1.734 -4.816 -0.318) 5.129 11.633 ( 0.945 -7.014 -2.316) 7.447 11.740 ( 0.705 -0.428 0.878) 1.205 11.932 ( -4.025 -3.624 -2.825) 6.108 12.159 ( 1.815 -1.578 2.306) 3.332 12.320 ( 2.202 -0.344 -2.166) 3.108 12.515 ( -3.308 0.177 -2.067) 3.905 12.539 ( 0.043 1.718 -0.528) 1.798 12.707 ( 5.588 0.986 -0.949) 5.753 12.758 ( -4.946 -2.949 -0.162) 5.761 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.980 19.531 15.191) 24.823 1.833 ( -0.433 17.775 20.395) 27.058 2.114 ( 3.903 10.576 -2.553) 11.558 2.319 ( 6.022 6.961 5.049) 10.498 2.646 ( 0.532 3.910 -6.561) 7.656 2.837 ( -9.774 -0.096 -12.115) 15.566 4.081 ( -8.126 -8.198 5.726) 12.885 4.175 ( -3.277 -2.360 5.430) 6.767 4.382 ( -1.813 -3.759 3.403) 5.385 4.576 ( -0.443 -7.985 9.346) 12.300 4.710 ( 0.917 -8.119 2.034) 8.420 4.966 ( 5.466 0.628 9.767) 11.210 5.209 ( 2.113 -7.564 -6.625) 10.274 5.442 ( 3.924 2.352 -4.863) 6.677 5.585 ( 2.766 0.550 3.505) 4.499 5.864 ( -1.150 3.983 -8.248) 9.231 5.984 ( 2.072 7.016 -4.209) 8.440 6.213 ( -4.111 1.919 -8.971) 10.053 6.778 ( -2.028 7.792 1.574) 8.204 6.868 ( 1.907 7.470 -1.683) 7.891 7.486 ( -3.089 3.587 5.447) 7.217 7.697 ( 3.546 3.688 -2.679) 5.775 8.045 ( 1.439 10.760 0.222) 10.858 8.150 ( -1.233 6.883 -1.307) 7.113 8.373 ( 2.026 9.042 -1.083) 9.330 8.443 ( 1.381 8.407 -4.072) 9.443 8.755 ( -2.395 4.857 6.111) 8.165 8.969 ( 2.987 -0.409 2.906) 4.187 9.069 ( -2.820 0.134 1.658) 3.274 9.334 ( 0.304 0.332 1.669) 1.728 9.399 ( 6.280 0.639 -6.722) 9.221 9.450 ( -6.787 -1.739 0.206) 7.010 9.950 ( -1.337 -1.507 0.562) 2.092 10.058 ( 0.883 1.235 -3.717) 4.015 10.195 ( -1.752 0.286 3.460) 3.889 10.359 ( -2.151 3.598 0.604) 4.235 10.438 ( 4.399 1.767 0.656) 4.786 10.574 ( -0.182 1.771 -2.080) 2.738 10.816 ( -3.803 -3.199 1.077) 5.085 10.865 ( 0.714 -1.446 -1.381) 2.123 10.991 ( 0.665 -5.761 3.592) 6.822 11.112 ( 3.870 -7.851 -1.147) 8.827 11.208 ( -2.277 -1.275 -0.109) 2.612 11.309 ( 0.605 -4.502 -0.297) 4.552 11.601 ( 0.297 -5.586 1.501) 5.792 11.755 ( -0.373 -4.503 -0.533) 4.550 11.843 ( 1.088 -8.420 1.498) 8.621 11.968 ( -2.213 -3.784 -2.931) 5.273 12.199 ( 2.272 -0.630 2.716) 3.597 12.331 ( 1.364 0.133 -3.968) 4.198 12.468 ( 3.093 1.643 -0.807) 3.594 12.534 ( -3.480 -1.556 -2.056) 4.331 12.742 ( 3.917 -1.177 0.450) 4.115 12.799 ( -3.613 -4.976 -2.832) 6.770 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 12.170 0.000 -0.293) 12.173 1.883 ( 15.074 0.000 11.031) 18.679 2.279 ( 10.152 0.000 8.858) 13.473 2.386 ( 2.925 0.000 -14.557) 14.848 2.799 ( 16.716 0.000 1.397) 16.774 2.953 ( 13.411 0.000 11.821) 17.877 3.922 ( -15.025 -0.000 15.511) 21.595 4.027 ( -16.449 -0.000 -1.898) 16.558 4.195 ( -1.865 -0.000 2.418) 3.053 4.818 ( 1.824 0.000 -15.078) 15.188 4.982 ( -3.732 -0.000 -1.835) 4.159 4.993 ( -7.257 -0.000 -5.486) 9.097 5.043 ( -1.956 -0.000 7.661) 7.906 5.470 ( 9.115 0.000 -7.478) 11.790 5.483 ( -5.594 -0.000 7.173) 9.096 5.853 ( -2.128 -0.000 8.806) 9.060 5.858 ( 2.635 0.000 -7.459) 7.911 6.325 ( 8.269 0.000 -5.258) 9.799 6.608 ( 1.149 0.000 -1.637) 2.000 6.666 ( 1.445 0.000 -1.098) 1.815 7.350 ( -0.867 -0.000 1.156) 1.445 7.622 ( -1.835 -0.000 0.006) 1.835 7.780 ( -1.663 -0.000 2.140) 2.710 8.013 ( 2.891 0.000 -4.470) 5.323 8.162 ( 0.372 0.000 1.850) 1.887 8.314 ( -0.138 -0.000 0.520) 0.538 8.598 ( -3.950 -0.000 7.131) 8.151 8.852 ( -10.462 -0.000 3.705) 11.099 8.918 ( -5.559 -0.000 -4.648) 7.246 9.026 ( -2.423 -0.000 -9.442) 9.748 9.492 ( -10.708 -0.000 1.712) 10.844 9.530 ( 3.298 0.000 0.235) 3.306 9.619 ( 0.533 0.000 3.804) 3.842 9.891 ( -6.170 -0.000 -0.704) 6.210 10.246 ( -1.637 -0.000 -5.391) 5.634 10.247 ( -1.246 -0.000 0.707) 1.432 10.561 ( 8.578 0.000 3.729) 9.354 10.593 ( 6.392 0.000 -0.947) 6.462 10.839 ( -3.398 -0.000 4.272) 5.458 10.993 ( 0.580 0.000 0.387) 0.697 11.070 ( -0.095 -0.000 -1.676) 1.678 11.147 ( 1.851 0.000 2.073) 2.779 11.433 ( -1.804 -0.000 2.430) 3.026 11.610 ( 0.641 0.000 -5.358) 5.397 11.743 ( 2.389 0.000 5.114) 5.644 11.860 ( 3.520 0.000 0.251) 3.529 12.022 ( -2.951 -0.000 0.178) 2.957 12.036 ( -1.386 -0.000 -2.691) 3.027 12.245 ( -0.601 -0.000 0.294) 0.669 12.451 ( 10.456 0.000 -4.060) 11.217 12.531 ( 4.564 0.000 -2.577) 5.241 12.655 ( 4.642 0.000 1.007) 4.750 12.800 ( 4.770 0.000 -4.942) 6.869 13.047 ( 2.173 0.000 -0.499) 2.229 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 11.362 -1.219 -0.207) 11.429 2.108 ( 9.812 -5.566 -0.486) 11.291 2.383 ( 9.624 -0.663 4.821) 10.784 2.488 ( 9.335 -6.111 1.021) 11.204 2.880 ( 15.426 5.942 3.747) 16.950 3.059 ( 3.958 0.703 0.723) 4.084 3.718 ( -13.928 5.643 8.554) 17.292 4.058 ( -11.112 -8.319 5.632) 14.980 4.191 ( -1.998 -1.766 3.938) 4.756 4.695 ( -6.113 8.214 -4.512) 11.189 4.830 ( -1.532 4.892 -4.965) 7.137 4.975 ( -7.298 -1.242 -0.652) 7.432 5.154 ( 3.126 -6.979 0.278) 7.652 5.439 ( -0.814 4.142 1.484) 4.474 5.500 ( 2.305 -1.071 -2.966) 3.906 5.784 ( 0.837 2.019 -2.480) 3.306 5.982 ( 2.936 -6.305 1.055) 7.034 6.325 ( 6.846 4.565 -4.380) 9.321 6.669 ( 2.186 -5.752 -0.100) 6.155 6.755 ( 1.324 -6.745 -1.453) 7.026 7.398 ( 0.437 -4.642 0.562) 4.696 7.629 ( -3.590 -2.734 1.579) 4.781 7.850 ( -1.232 -7.699 2.456) 8.175 8.088 ( 1.766 -6.915 -3.685) 8.032 8.178 ( 0.682 -1.125 1.411) 1.929 8.376 ( -0.096 -5.956 1.131) 6.063 8.592 ( -5.050 -0.790 5.000) 7.150 8.793 ( -6.273 -1.199 0.733) 6.428 8.895 ( -6.483 -4.797 -4.127) 9.060 8.999 ( -0.032 -0.707 -7.838) 7.870 9.373 ( -7.806 2.014 1.804) 8.261 9.562 ( 0.206 -1.211 -1.906) 2.267 9.647 ( 0.330 -0.777 2.736) 2.864 9.876 ( -4.854 -2.812 1.536) 5.816 10.192 ( -2.737 -0.014 -3.109) 4.142 10.311 ( -1.982 -4.827 -2.951) 5.995 10.577 ( 6.689 4.003 0.365) 7.803 10.673 ( 5.031 -0.716 2.159) 5.522 10.816 ( -2.764 0.252 2.267) 3.583 10.941 ( -4.059 3.952 1.159) 5.783 11.067 ( 2.472 1.083 -0.216) 2.707 11.150 ( 2.897 2.679 2.238) 4.536 11.411 ( -4.897 0.127 3.144) 5.821 11.547 ( 0.768 5.120 -4.817) 7.072 11.719 ( -0.710 4.658 3.126) 5.655 11.878 ( 2.293 2.442 -0.467) 3.382 11.913 ( 0.773 4.255 -3.329) 5.457 12.074 ( -0.461 -1.154 1.323) 1.815 12.239 ( 1.911 0.437 2.029) 2.821 12.451 ( 4.224 6.810 -1.548) 8.162 12.573 ( 9.137 0.141 -3.989) 9.970 12.687 ( 3.645 1.399 1.416) 4.153 12.799 ( 6.092 3.622 -3.715) 8.002 13.019 ( 2.230 4.097 -0.669) 4.712 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 7.241 -7.700 0.523) 10.583 2.242 ( 4.786 -3.677 -5.003) 7.839 2.520 ( 9.625 -1.985 5.785) 11.404 2.683 ( 7.601 -4.805 2.004) 9.213 2.865 ( 6.018 5.182 4.158) 8.965 3.071 ( 2.899 -0.212 1.812) 3.425 3.570 ( -9.389 2.210 9.397) 13.466 4.107 ( -6.780 -3.560 6.572) 10.091 4.213 ( -5.447 -0.344 4.395) 7.008 4.466 ( -5.908 8.202 -3.394) 10.663 4.665 ( -1.277 10.396 -0.695) 10.497 4.962 ( -4.059 -2.773 -1.015) 5.020 5.215 ( 2.510 8.335 1.132) 8.779 5.387 ( -1.463 -4.360 -4.185) 6.218 5.581 ( -1.563 -8.375 -3.844) 9.347 5.817 ( 7.366 -3.481 -6.803) 10.614 6.120 ( 4.847 -3.890 0.106) 6.215 6.281 ( 4.223 3.666 0.074) 5.593 6.837 ( 3.098 -8.429 0.137) 8.981 6.895 ( 0.386 -7.080 -0.555) 7.113 7.512 ( 0.107 -6.017 1.242) 6.145 7.662 ( -3.835 -3.582 2.314) 5.736 8.053 ( -0.459 -13.463 1.998) 13.618 8.222 ( 2.613 -2.554 0.828) 3.747 8.272 ( 0.378 -10.161 -3.897) 10.889 8.519 ( -2.591 -8.271 2.931) 9.149 8.585 ( -3.345 -4.214 -0.209) 5.384 8.792 ( -4.186 -2.981 -1.827) 5.454 8.951 ( -1.787 -4.930 -1.589) 5.480 9.015 ( 1.070 -3.292 -5.800) 6.754 9.318 ( -6.049 -2.090 1.999) 6.705 9.583 ( 1.179 -1.377 -2.761) 3.303 9.667 ( -3.181 -2.692 -0.401) 4.186 9.892 ( -5.321 -1.854 1.910) 5.949 10.158 ( -2.388 0.801 -1.559) 2.962 10.353 ( -1.853 -2.423 -3.585) 4.706 10.539 ( 5.297 5.673 -0.813) 7.804 10.697 ( 1.027 1.992 2.768) 3.562 10.760 ( -5.831 4.897 -0.581) 7.637 10.845 ( -1.113 0.701 1.593) 2.066 11.049 ( 3.514 3.891 0.292) 5.252 11.113 ( 1.610 3.797 1.344) 4.337 11.357 ( -4.578 2.834 4.875) 7.263 11.431 ( 2.397 6.359 -2.043) 7.097 11.596 ( -1.207 7.451 2.622) 7.990 11.788 ( 0.408 5.361 -1.136) 5.495 11.881 ( 3.553 1.844 -6.432) 7.576 12.075 ( 0.080 1.803 3.489) 3.928 12.270 ( 5.385 2.762 5.380) 8.098 12.328 ( 0.009 5.072 -1.325) 5.242 12.622 ( 6.497 1.987 -3.003) 7.428 12.649 ( 1.636 4.349 -0.106) 4.648 12.768 ( 6.066 3.649 -0.995) 7.149 12.943 ( 1.589 5.019 -2.314) 5.750 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.452 -2.380 -1.030) 4.317 2.330 ( -0.270 -7.275 -3.188) 7.948 2.648 ( 5.180 -3.580 4.199) 7.569 2.781 ( 2.658 -0.387 0.420) 2.719 2.881 ( 9.826 2.095 4.549) 11.029 3.110 ( -3.713 -1.681 5.243) 6.641 3.533 ( -4.124 -1.396 11.873) 12.646 4.098 ( -9.391 0.728 8.973) 13.009 4.134 ( -2.942 4.177 1.634) 5.364 4.289 ( -3.555 5.864 2.647) 7.350 4.472 ( 1.929 8.042 -2.746) 8.714 4.921 ( -6.323 4.094 0.577) 7.555 5.086 ( 4.697 2.113 -8.163) 9.653 5.434 ( -2.459 -2.525 -4.552) 5.757 5.727 ( -1.598 -8.067 -3.453) 8.919 5.953 ( 7.543 -3.486 -7.149) 10.961 6.196 ( 6.316 0.750 0.067) 6.360 6.288 ( 0.997 -2.046 2.857) 3.652 6.980 ( 0.722 -3.934 0.926) 4.106 7.032 ( 1.109 -6.429 -0.442) 6.539 7.593 ( -4.474 -3.119 6.050) 8.145 7.738 ( 1.791 -5.280 -1.482) 5.769 8.256 ( 0.942 -3.881 1.074) 4.135 8.343 ( 0.555 -7.089 2.202) 7.444 8.431 ( 3.218 -9.476 -5.265) 11.308 8.617 ( -3.901 -6.517 -2.116) 7.884 8.738 ( 1.652 -6.633 -1.012) 6.910 8.859 ( -5.309 -12.151 -0.650) 13.276 9.010 ( 3.202 -2.207 -0.684) 3.948 9.122 ( 2.243 -6.754 -2.642) 7.591 9.343 ( -6.008 -4.250 2.493) 7.770 9.630 ( 1.893 -3.346 -3.414) 5.142 9.708 ( -5.150 -6.337 -3.243) 8.786 9.827 ( -6.712 3.225 -2.228) 7.772 10.126 ( 1.266 1.929 2.054) 3.089 10.330 ( -2.114 4.176 -0.203) 4.685 10.459 ( 4.402 5.416 -1.306) 7.100 10.560 ( -5.255 5.101 -1.313) 7.441 10.701 ( -1.844 0.044 1.704) 2.511 10.830 ( 0.235 2.767 0.850) 2.904 10.973 ( 1.404 6.751 -0.162) 6.897 11.057 ( 1.380 2.466 -0.323) 2.844 11.256 ( -2.547 5.907 4.721) 7.980 11.352 ( 2.892 4.845 2.458) 6.155 11.464 ( 0.311 6.395 2.629) 6.922 11.707 ( 0.767 2.986 -1.611) 3.478 11.860 ( 3.346 1.784 -6.599) 7.611 12.016 ( -1.714 3.854 0.698) 4.275 12.191 ( 3.831 7.360 3.005) 8.825 12.323 ( 0.570 0.094 2.250) 2.323 12.535 ( -0.890 4.681 1.390) 4.963 12.640 ( 2.554 1.678 -0.868) 3.177 12.767 ( 5.099 1.611 -1.002) 5.441 12.852 ( 0.558 4.220 -3.491) 5.505 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 2.343 2.113 0.951) 3.295 2.461 ( -1.937 -7.451 -4.364) 8.850 2.700 ( 1.823 4.867 2.564) 5.796 2.776 ( 3.067 4.360 0.853) 5.399 2.914 ( 7.074 4.790 3.554) 9.253 3.056 ( -11.263 1.542 3.327) 11.845 3.623 ( -3.801 -6.531 12.124) 14.286 4.009 ( -4.629 1.203 8.816) 10.029 4.066 ( -0.570 2.557 4.304) 5.039 4.210 ( -1.370 -0.201 2.770) 3.097 4.374 ( 2.553 4.583 -3.096) 6.092 4.819 ( -3.347 -0.611 -1.888) 3.891 5.148 ( 4.690 -5.081 -6.298) 9.353 5.413 ( -1.329 1.436 -4.770) 5.156 5.792 ( -0.662 0.901 2.386) 2.635 5.986 ( 0.931 0.010 -5.522) 5.600 6.228 ( 3.059 0.681 -0.912) 3.264 6.356 ( 1.423 -2.183 -1.175) 2.858 7.027 ( -0.568 -0.771 1.705) 1.955 7.105 ( -0.019 -0.861 -1.029) 1.342 7.617 ( -3.848 -1.224 8.154) 9.099 7.835 ( 2.932 -2.312 -2.715) 4.617 8.314 ( 0.766 -1.459 -0.035) 1.648 8.404 ( 4.160 -0.038 -3.242) 5.274 8.612 ( 1.099 -3.720 -2.416) 4.570 8.669 ( -2.323 -3.938 -1.596) 4.842 8.859 ( 1.611 -5.734 0.046) 5.956 9.012 ( -0.222 -4.532 -4.266) 6.228 9.161 ( 3.512 -5.860 2.203) 7.178 9.243 ( -1.221 -5.714 -0.225) 5.847 9.375 ( -2.215 -3.143 2.148) 4.404 9.666 ( -6.091 4.950 -3.867) 8.749 9.729 ( 0.976 -7.448 -3.452) 8.267 9.794 ( -2.935 -5.754 -2.424) 6.899 10.105 ( 1.050 2.162 2.923) 3.784 10.219 ( 1.667 2.928 -0.374) 3.390 10.416 ( -0.927 -0.272 0.994) 1.386 10.506 ( -0.356 -0.201 -1.986) 2.028 10.692 ( -1.877 -0.100 2.132) 2.842 10.753 ( 2.242 5.322 2.433) 6.266 10.870 ( 0.242 3.358 -1.049) 3.526 11.029 ( -0.269 2.079 -2.464) 3.235 11.128 ( -1.658 5.569 5.418) 7.944 11.312 ( 2.038 2.315 0.469) 3.120 11.388 ( -0.639 2.225 3.368) 4.087 11.659 ( 1.377 3.181 -3.349) 4.820 11.814 ( 0.003 2.419 -4.366) 4.992 11.930 ( -1.366 3.627 -3.990) 5.562 12.130 ( 3.809 2.621 5.044) 6.842 12.311 ( -1.034 1.051 2.137) 2.596 12.489 ( -1.350 0.087 1.297) 1.874 12.611 ( -0.059 2.012 -1.458) 2.485 12.758 ( -2.385 1.528 1.436) 3.176 12.797 ( 5.642 2.695 -3.868) 7.352 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.581 4.760 6.093) 7.892 2.456 ( -4.163 11.979 -0.580) 12.695 2.593 ( 6.075 6.311 1.270) 8.852 2.627 ( -0.931 7.555 -0.199) 7.614 2.806 ( 2.047 10.996 0.564) 11.199 2.919 ( -7.519 3.848 -4.407) 9.527 3.738 ( -7.713 -7.958 8.324) 13.860 4.027 ( 0.317 -2.688 4.839) 5.545 4.161 ( 0.659 -8.816 11.657) 14.630 4.256 ( 1.461 -1.923 -0.425) 2.452 4.359 ( -0.726 -5.129 0.890) 5.256 4.878 ( 0.243 -6.831 -3.877) 7.858 5.287 ( 2.000 -4.745 -0.140) 5.151 5.326 ( -0.014 4.548 0.207) 4.553 5.720 ( 3.452 6.933 4.907) 9.169 5.975 ( -1.472 -0.330 -6.643) 6.812 6.202 ( -0.911 2.307 -2.957) 3.859 6.344 ( -0.148 3.338 -5.868) 6.753 7.003 ( -2.188 2.860 1.934) 4.087 7.080 ( 1.035 2.942 -1.009) 3.278 7.612 ( -2.487 1.633 7.897) 8.439 7.846 ( 2.156 2.426 -2.092) 3.861 8.307 ( -0.514 2.229 -1.120) 2.547 8.403 ( 6.303 4.422 -5.935) 9.722 8.635 ( -0.082 0.436 0.169) 0.475 8.681 ( -0.633 1.086 -1.935) 2.308 8.930 ( -1.192 0.223 -0.082) 1.216 9.007 ( 0.400 2.395 -1.556) 2.884 9.170 ( -3.739 5.233 2.873) 7.044 9.289 ( 3.488 -0.399 -0.741) 3.588 9.385 ( 1.365 1.990 0.806) 2.544 9.585 ( -1.147 2.469 -4.408) 5.181 9.859 ( 0.591 -8.290 2.330) 8.632 9.928 ( -0.794 -7.855 -0.636) 7.920 10.102 ( -2.157 -2.584 1.368) 3.633 10.302 ( 2.725 -8.758 -2.273) 9.450 10.454 ( -0.261 -0.991 1.411) 1.744 10.501 ( 1.789 0.124 1.367) 2.255 10.675 ( -1.454 -0.175 1.110) 1.837 10.742 ( 1.503 -1.548 -0.674) 2.261 10.859 ( 0.873 -2.205 0.356) 2.398 10.945 ( -1.655 3.917 -3.893) 5.765 11.099 ( 1.042 -0.964 5.257) 5.445 11.307 ( 1.012 -0.316 -0.452) 1.153 11.390 ( -3.386 -3.417 2.549) 5.445 11.593 ( 1.465 2.470 -4.798) 5.592 11.771 ( 1.575 1.576 -2.542) 3.380 11.851 ( -3.219 0.469 -2.746) 4.257 12.168 ( 2.784 -0.731 4.208) 5.098 12.306 ( -0.440 -1.050 0.361) 1.194 12.482 ( -2.337 -0.412 -0.286) 2.390 12.566 ( -0.245 1.655 -2.714) 3.188 12.707 ( -3.892 1.033 1.909) 4.457 12.790 ( 5.331 2.326 -1.941) 6.131 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.912 19.860 8.556) 21.644 2.164 ( -1.429 10.325 13.688) 17.205 2.343 ( 2.267 13.652 -3.330) 14.234 2.578 ( 2.619 9.713 -1.179) 10.129 2.695 ( 5.000 0.278 -4.395) 6.663 2.769 ( 0.537 5.111 -8.524) 9.953 3.837 ( -11.228 -8.215 6.845) 15.505 4.117 ( 0.503 -4.103 4.010) 5.759 4.304 ( -0.560 -4.761 3.290) 5.814 4.411 ( -1.992 -10.842 10.591) 15.287 4.525 ( 0.284 -10.343 1.692) 10.484 5.011 ( -1.498 -7.343 -4.810) 8.905 5.163 ( -0.274 7.621 9.155) 11.915 5.438 ( 2.793 -4.427 -1.620) 5.480 5.672 ( 5.548 3.436 3.662) 7.483 5.912 ( 0.045 3.780 -10.004) 10.694 6.120 ( -0.983 4.381 -3.497) 5.691 6.207 ( -2.008 6.123 -8.559) 10.713 6.900 ( -2.172 6.194 2.246) 6.938 7.008 ( 1.541 5.708 -1.339) 6.062 7.560 ( -1.298 4.110 6.062) 7.438 7.791 ( 1.754 4.024 -1.478) 4.632 8.224 ( 0.332 5.655 -1.921) 5.981 8.296 ( 2.876 9.425 -2.135) 10.083 8.546 ( -1.742 7.821 -1.517) 8.155 8.613 ( 2.807 6.949 -3.551) 8.293 8.845 ( -3.434 4.962 3.135) 6.800 8.983 ( -0.161 1.666 1.018) 1.959 9.040 ( -4.645 1.012 1.477) 4.978 9.331 ( 2.542 -0.290 2.249) 3.406 9.381 ( -2.561 0.066 -2.869) 3.846 9.502 ( 4.615 4.043 -2.585) 6.658 9.928 ( -2.476 0.483 0.961) 2.700 10.047 ( 0.908 -3.133 -2.818) 4.310 10.170 ( -2.243 -3.945 5.051) 6.790 10.374 ( -4.264 0.653 1.247) 4.491 10.488 ( 2.427 -0.566 -0.952) 2.668 10.574 ( 4.756 -3.933 -1.457) 6.341 10.714 ( -1.409 -4.721 1.649) 5.195 10.814 ( -0.125 -4.022 -1.649) 4.349 10.875 ( -1.666 -1.606 -1.067) 2.548 10.982 ( 4.357 -8.778 -0.759) 9.829 11.163 ( -0.990 -1.273 1.947) 2.528 11.326 ( 4.925 -0.085 1.833) 5.255 11.469 ( -2.795 -6.653 1.968) 7.480 11.626 ( 1.125 -6.609 -4.861) 8.281 11.776 ( 1.880 -0.722 2.334) 3.082 11.852 ( -2.509 -4.036 -4.112) 6.285 12.211 ( 1.422 -0.973 3.347) 3.765 12.328 ( 0.674 -1.178 -4.068) 4.288 12.475 ( -0.701 -0.873 0.217) 1.140 12.524 ( -0.115 2.075 -1.747) 2.715 12.675 ( -4.129 -1.294 0.317) 4.339 12.799 ( 5.058 0.619 -1.052) 5.203 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 10.345 0.000 -6.140) 12.030 2.123 ( 7.790 0.000 -1.278) 7.895 2.468 ( 11.581 0.000 -1.428) 11.668 2.542 ( 10.241 0.000 11.907) 15.705 3.079 ( -1.908 -0.000 3.516) 4.000 3.103 ( 15.189 0.000 1.149) 15.232 3.748 ( -13.627 -0.000 1.496) 13.709 3.804 ( -8.281 -0.000 11.959) 14.546 4.185 ( -0.897 -0.000 1.082) 1.405 4.747 ( -3.014 -0.000 -9.092) 9.579 4.805 ( -5.685 -0.000 -13.013) 14.201 4.813 ( -8.741 -0.000 -4.017) 9.620 5.164 ( 3.692 0.000 13.534) 14.028 5.449 ( -3.928 -0.000 8.536) 9.396 5.577 ( 8.059 0.000 -7.665) 11.122 5.864 ( 4.458 0.000 -9.024) 10.065 5.873 ( -2.993 -0.000 11.963) 12.331 6.411 ( 5.656 0.000 -7.048) 9.037 6.636 ( 3.268 0.000 -2.408) 4.059 6.684 ( 0.736 0.000 -0.146) 0.750 7.357 ( 1.271 0.000 0.175) 1.283 7.568 ( -5.484 -0.000 3.129) 6.314 7.779 ( 0.249 0.000 2.035) 2.050 8.012 ( -0.278 -0.000 -3.365) 3.376 8.200 ( 2.284 0.000 3.436) 4.126 8.315 ( 0.038 0.000 1.858) 1.859 8.556 ( -6.692 -0.000 6.060) 9.028 8.755 ( -7.844 -0.000 -5.068) 9.339 8.757 ( -0.398 -0.000 -0.403) 0.567 8.978 ( 0.360 0.000 -6.639) 6.649 9.321 ( -8.393 -0.000 1.308) 8.494 9.530 ( -1.315 -0.000 -5.834) 5.981 9.669 ( 1.620 0.000 3.421) 3.785 9.829 ( -1.592 -0.000 2.746) 3.174 10.171 ( -2.061 -0.000 -6.216) 6.549 10.221 ( -2.074 -0.000 0.066) 2.075 10.679 ( 4.635 0.000 -2.529) 5.280 10.695 ( 3.332 0.000 -0.568) 3.380 10.814 ( -0.936 -0.000 7.106) 7.168 10.953 ( -4.830 -0.000 1.992) 5.225 11.079 ( 1.439 0.000 -0.712) 1.605 11.211 ( 2.371 0.000 2.258) 3.274 11.379 ( -4.788 -0.000 4.225) 6.386 11.582 ( 0.383 0.000 -4.370) 4.387 11.758 ( -3.139 -0.000 3.029) 4.362 11.920 ( 1.875 0.000 1.788) 2.590 11.982 ( 0.101 0.000 -8.270) 8.270 11.994 ( -2.070 -0.000 -0.819) 2.226 12.284 ( 3.779 0.000 5.327) 6.531 12.590 ( 7.408 0.000 -3.972) 8.405 12.632 ( 6.237 0.000 0.761) 6.283 12.726 ( 3.112 0.000 0.572) 3.164 12.887 ( 7.991 0.000 -3.753) 8.829 13.076 ( 1.757 0.000 -0.962) 2.003 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.394 -1.009 -3.255) 8.141 2.208 ( 4.736 -3.307 -4.824) 7.526 2.582 ( 8.302 -1.296 2.027) 8.644 2.665 ( 3.223 -3.192 5.858) 7.408 3.005 ( -0.999 5.705 6.395) 8.628 3.180 ( 9.926 3.292 1.596) 10.579 3.566 ( -8.356 3.822 9.910) 13.514 3.947 ( -5.194 -9.742 3.888) 11.705 4.175 ( -1.724 -0.025 1.700) 2.422 4.548 ( -5.723 7.528 -6.885) 11.697 4.746 ( -3.364 0.059 -8.361) 9.012 4.844 ( -5.777 -4.651 -4.050) 8.451 5.237 ( 1.565 -1.610 6.484) 6.861 5.421 ( -2.376 1.533 6.966) 7.518 5.543 ( 3.454 6.388 -3.520) 8.070 5.818 ( 5.365 -0.345 -3.703) 6.528 6.033 ( 1.699 -7.745 2.162) 8.219 6.394 ( 4.699 3.626 -5.894) 8.365 6.703 ( 1.361 -6.136 -0.425) 6.300 6.771 ( 1.824 -6.545 -1.834) 7.038 7.417 ( 1.217 -4.243 0.768) 4.481 7.561 ( -5.429 -3.424 3.158) 7.153 7.858 ( 0.676 -7.184 2.188) 7.540 8.069 ( -1.363 -7.597 -3.239) 8.371 8.229 ( 2.998 -0.148 3.304) 4.464 8.385 ( -0.271 -5.237 2.717) 5.906 8.512 ( -5.260 -0.558 2.884) 6.024 8.701 ( -5.326 -2.065 -2.787) 6.356 8.819 ( 0.952 -5.159 -1.462) 5.446 8.974 ( 0.457 -1.738 -4.804) 5.129 9.262 ( -4.648 0.185 0.505) 4.679 9.515 ( -2.167 -2.167 -7.717) 8.303 9.670 ( 0.878 1.947 3.289) 3.921 9.841 ( -1.690 -1.025 2.435) 3.137 10.132 ( -1.010 0.015 -3.716) 3.850 10.256 ( -2.390 -4.191 -2.503) 5.436 10.643 ( 1.356 2.993 -1.260) 3.519 10.739 ( -1.363 -0.811 -3.234) 3.602 10.807 ( 2.782 3.686 4.455) 6.417 10.885 ( -2.642 3.180 3.795) 5.612 11.098 ( 1.215 -0.101 0.009) 1.219 11.201 ( 0.831 2.831 1.440) 3.283 11.352 ( -4.152 0.500 6.170) 7.453 11.544 ( 1.668 3.540 -1.886) 4.344 11.700 ( -2.935 3.697 2.794) 5.485 11.855 ( -2.801 4.185 -2.489) 5.617 11.946 ( 4.527 2.295 -4.601) 6.851 12.040 ( -2.496 -3.718 -1.450) 4.707 12.323 ( 3.560 1.433 5.628) 6.812 12.541 ( 4.993 8.417 1.229) 9.863 12.671 ( 4.059 0.660 -2.936) 5.053 12.747 ( 2.754 1.669 -0.308) 3.235 12.901 ( 7.195 4.558 -2.079) 8.767 13.045 ( 1.628 4.082 -1.968) 4.816 ======================= Grid point 198 (97/140) ======================= q-point: (-0.44 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 1.354 -5.205 -1.440) 5.567 2.278 ( 2.003 -2.199 -5.117) 5.919 2.645 ( 1.340 -1.358 3.259) 3.776 2.733 ( -5.135 -3.454 3.613) 7.165 2.984 ( 5.920 0.562 8.154) 10.092 3.180 ( 7.059 4.929 1.170) 8.689 3.523 ( -3.344 -0.225 13.345) 13.760 4.037 ( -5.007 -3.047 5.445) 8.001 4.152 ( -3.419 1.157 0.830) 3.704 4.378 ( -1.032 5.444 -3.691) 6.658 4.645 ( -0.553 7.096 -0.859) 7.169 4.851 ( -5.123 -2.846 -4.668) 7.492 5.197 ( -4.948 6.332 0.148) 8.037 5.408 ( 5.466 1.887 -2.625) 6.351 5.530 ( -3.431 -7.257 -0.205) 8.029 5.912 ( 6.976 -3.983 -7.951) 11.302 6.179 ( 1.263 -5.427 2.509) 6.111 6.349 ( 4.422 3.458 -2.372) 6.094 6.859 ( -0.863 -8.661 0.185) 8.706 6.916 ( 2.479 -6.874 -1.081) 7.387 7.502 ( -3.247 -4.236 4.861) 7.219 7.634 ( 0.443 -6.082 -0.551) 6.123 8.071 ( 0.327 -13.019 2.560) 13.272 8.226 ( -1.892 -9.853 -1.258) 10.112 8.291 ( 1.826 -4.184 0.216) 4.570 8.462 ( -0.102 -4.224 -0.770) 4.294 8.587 ( 0.342 -8.302 1.547) 8.452 8.695 ( -4.369 -2.295 -1.896) 5.287 8.942 ( 0.561 -7.034 0.004) 7.056 9.042 ( 4.067 -4.569 -3.779) 7.190 9.247 ( -2.638 -1.827 1.438) 3.516 9.526 ( -3.179 -3.840 -8.668) 9.999 9.647 ( 0.784 1.606 2.659) 3.204 9.825 ( -2.936 1.356 -0.996) 3.384 10.132 ( 0.252 -0.936 -0.625) 1.154 10.303 ( -1.263 -3.407 -3.419) 4.989 10.572 ( -3.111 5.540 0.252) 6.359 10.665 ( -1.752 2.865 -1.185) 3.561 10.747 ( 2.702 7.336 2.379) 8.172 10.855 ( 1.374 0.277 0.326) 1.439 11.076 ( -0.073 3.470 0.141) 3.473 11.143 ( 0.743 3.858 0.256) 3.937 11.320 ( -3.805 2.031 7.978) 9.069 11.475 ( 2.624 5.254 1.325) 6.020 11.603 ( -0.426 5.684 2.503) 6.226 11.754 ( -1.805 2.972 -3.686) 5.067 11.918 ( 3.501 2.933 -3.483) 5.744 12.057 ( -1.667 0.384 -0.604) 1.814 12.309 ( -0.695 2.894 2.619) 3.964 12.419 ( 4.498 8.199 3.441) 9.965 12.646 ( -0.859 4.578 0.991) 4.762 12.706 ( 3.543 3.309 -2.821) 5.609 12.851 ( 3.545 4.415 -0.653) 5.699 12.951 ( 1.871 5.819 -4.130) 7.377 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -2.386 -5.499 -1.461) 6.170 2.316 ( 0.700 -2.997 -2.899) 4.228 2.682 ( -5.570 -3.138 5.154) 8.212 2.787 ( -1.642 -4.243 2.461) 5.173 3.042 ( -1.513 1.600 4.867) 5.342 3.127 ( 9.557 6.662 1.055) 11.697 3.570 ( -0.630 -1.405 14.022) 14.107 4.028 ( -6.040 1.334 13.474) 14.826 4.101 ( 1.216 0.526 -5.929) 6.075 4.269 ( -1.250 6.190 3.455) 7.198 4.514 ( 3.021 7.248 -0.428) 7.864 4.806 ( -3.709 2.288 -5.436) 6.967 5.073 ( -2.387 -0.752 -2.207) 3.337 5.417 ( 2.817 0.342 -6.498) 7.090 5.658 ( -4.682 -8.840 -0.120) 10.004 5.983 ( 1.980 -1.413 -8.803) 9.133 6.259 ( -0.932 -0.779 2.575) 2.847 6.347 ( 5.236 -0.077 -0.862) 5.307 6.979 ( -1.405 -4.641 1.402) 5.047 7.046 ( 0.920 -4.837 -0.903) 5.006 7.563 ( -3.222 -3.566 6.911) 8.418 7.763 ( 1.830 -5.903 -2.133) 6.538 8.255 ( -2.334 -5.623 1.971) 6.399 8.366 ( 0.620 -6.067 1.124) 6.201 8.479 ( 3.211 -11.635 -3.411) 12.542 8.567 ( 2.992 -3.803 -5.145) 7.063 8.708 ( -4.965 -8.084 0.378) 9.494 8.809 ( 1.741 -11.436 -1.195) 11.630 9.087 ( 3.435 -6.210 1.368) 7.227 9.167 ( 3.681 -4.999 -2.301) 6.621 9.296 ( -0.286 -3.954 3.605) 5.359 9.543 ( -6.514 -4.658 -5.865) 9.926 9.666 ( 1.446 -2.653 -1.493) 3.370 9.744 ( -0.399 3.591 -4.423) 5.711 10.160 ( 1.483 -0.375 1.924) 2.458 10.316 ( 0.096 3.083 0.220) 3.092 10.433 ( -4.457 1.758 -1.920) 5.162 10.550 ( 3.555 9.292 -0.740) 9.976 10.687 ( -1.131 0.397 2.616) 2.878 10.852 ( 1.728 1.671 -0.763) 2.522 10.976 ( -0.709 6.049 0.733) 6.134 11.076 ( 1.065 3.746 -1.149) 4.061 11.232 ( -3.437 5.918 5.987) 9.093 11.409 ( 1.943 4.679 1.317) 5.235 11.495 ( 0.251 6.468 4.154) 7.692 11.698 ( 0.564 1.489 -3.927) 4.238 11.863 ( -0.359 3.854 -1.333) 4.094 11.995 ( 0.324 4.182 -3.415) 5.409 12.232 ( -0.845 4.284 4.008) 5.927 12.350 ( 0.766 3.022 1.477) 3.449 12.523 ( -2.183 5.233 1.875) 5.972 12.666 ( 1.341 3.350 -1.857) 4.058 12.785 ( -1.963 3.291 0.532) 3.869 12.876 ( 4.069 2.862 -4.630) 6.796 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -1.650 -0.171 1.676) 2.358 2.400 ( -0.926 -5.682 -3.729) 6.859 2.707 ( -5.634 -1.949 2.527) 6.475 2.792 ( -1.920 4.302 0.301) 4.721 2.896 ( -4.128 8.855 3.981) 10.550 3.111 ( 11.279 7.499 1.358) 13.612 3.617 ( -3.962 -1.768 11.035) 11.857 4.022 ( -2.063 -0.061 11.384) 11.569 4.105 ( 0.019 -0.540 8.900) 8.916 4.218 ( 2.487 -2.422 -4.180) 5.434 4.376 ( -0.555 7.016 -2.763) 7.561 4.772 ( 0.732 -2.526 -4.080) 4.854 5.147 ( -1.317 -7.183 -1.856) 7.535 5.396 ( 1.407 1.479 -4.967) 5.370 5.762 ( -3.804 -5.215 1.509) 6.629 5.964 ( 1.221 1.719 -5.221) 5.630 6.220 ( -3.355 2.486 0.728) 4.238 6.385 ( 2.831 0.965 -2.644) 3.992 7.019 ( -1.551 -0.415 2.185) 2.711 7.101 ( 0.401 -0.945 -1.024) 1.450 7.618 ( -1.558 -1.818 7.211) 7.598 7.848 ( -0.054 -2.475 -1.789) 3.054 8.307 ( -0.543 -1.354 -1.121) 1.839 8.474 ( 4.220 -2.709 -3.585) 6.164 8.572 ( -3.125 -1.190 -0.893) 3.461 8.643 ( -0.181 -4.252 -2.236) 4.807 8.878 ( 2.105 -6.571 -0.315) 6.907 8.998 ( 1.322 -4.631 -4.128) 6.343 9.183 ( -3.568 -3.195 0.787) 4.854 9.291 ( 6.996 -2.914 2.065) 7.855 9.409 ( 2.513 -3.410 1.846) 4.621 9.560 ( -1.169 -3.836 -3.894) 5.590 9.713 ( -1.299 -4.467 -1.536) 4.899 9.761 ( 1.468 -5.581 -2.892) 6.455 10.129 ( 0.042 5.337 1.784) 5.627 10.238 ( 0.325 1.544 0.701) 1.726 10.422 ( 2.084 -2.281 -1.276) 3.343 10.491 ( -0.868 -0.710 -0.676) 1.309 10.673 ( -1.389 0.860 1.368) 2.131 10.819 ( 2.644 4.414 2.432) 5.691 10.883 ( 1.771 2.873 -0.842) 3.478 11.003 ( 0.115 4.292 -3.730) 5.688 11.126 ( -2.233 2.499 4.964) 5.990 11.339 ( 0.389 2.874 -0.377) 2.925 11.391 ( -1.692 5.512 5.676) 8.091 11.652 ( 0.777 2.838 -5.471) 6.213 11.793 ( -0.589 1.720 -0.234) 1.833 11.891 ( -0.035 5.243 -4.919) 7.189 12.195 ( -0.335 0.776 5.730) 5.792 12.311 ( 0.307 1.609 0.594) 1.742 12.453 ( -3.233 0.611 0.583) 3.342 12.601 ( 0.386 2.849 -2.236) 3.642 12.717 ( -2.849 2.101 1.641) 3.901 12.859 ( 3.132 1.675 -3.095) 4.711 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.678 1.512 3.717) 5.443 2.404 ( 1.927 8.000 -0.215) 8.232 2.589 ( -2.044 8.374 0.270) 8.624 2.687 ( 0.722 5.538 0.749) 5.635 2.713 ( -2.685 6.686 -1.436) 7.347 3.039 ( 12.811 10.565 1.897) 16.714 3.655 ( -7.384 -4.275 8.298) 11.901 4.057 ( -0.987 -3.300 5.529) 6.514 4.221 ( -3.484 -7.217 15.406) 17.366 4.256 ( -0.121 -1.965 -3.969) 4.430 4.374 ( 3.291 -6.512 -2.363) 7.669 4.844 ( -1.477 -5.704 -3.941) 7.088 5.220 ( -3.759 -1.757 -4.552) 6.159 5.412 ( 4.471 -1.781 4.200) 6.388 5.783 ( 0.477 1.504 2.859) 3.265 5.928 ( 0.243 1.541 -5.585) 5.799 6.136 ( -2.893 2.680 -1.903) 4.379 6.322 ( 0.869 5.970 -4.522) 7.539 6.985 ( -1.064 3.322 2.390) 4.229 7.091 ( 0.763 2.290 -0.892) 2.573 7.634 ( -0.036 1.720 5.940) 6.184 7.845 ( -1.437 1.323 -0.516) 2.021 8.289 ( 0.120 2.201 -3.283) 3.954 8.477 ( 4.788 5.732 -4.022) 8.482 8.560 ( -5.033 -1.144 -1.231) 5.306 8.687 ( 0.119 -0.637 -1.468) 1.604 8.903 ( -0.358 3.831 0.797) 3.929 9.012 ( 0.932 0.871 -2.070) 2.431 9.116 ( -3.284 6.681 -0.184) 7.447 9.348 ( 0.488 0.990 -0.571) 1.243 9.438 ( 5.177 2.861 2.707) 6.505 9.601 ( 5.160 3.151 -4.126) 7.319 9.843 ( -3.364 -9.797 0.515) 10.372 9.925 ( 0.617 -8.833 1.431) 8.970 10.076 ( -1.602 -1.791 1.050) 2.622 10.294 ( -2.218 -5.323 -2.955) 6.480 10.437 ( -2.209 0.487 2.662) 3.493 10.558 ( 2.698 -5.470 0.016) 6.099 10.664 ( 0.797 -0.782 -0.497) 1.222 10.763 ( 0.897 1.799 -0.963) 2.229 10.888 ( 0.946 0.180 -0.293) 1.006 10.919 ( 2.544 1.382 -2.099) 3.576 11.155 ( 1.925 -2.402 3.498) 4.659 11.299 ( -4.924 0.184 2.980) 5.759 11.356 ( 0.370 -3.861 0.876) 3.977 11.606 ( 3.798 1.613 -4.949) 6.443 11.777 ( -1.454 -0.300 -1.891) 2.404 11.812 ( 2.041 1.679 -0.356) 2.667 12.202 ( -2.228 -0.679 3.863) 4.511 12.297 ( -0.427 -0.173 -2.063) 2.114 12.446 ( -0.106 -1.698 0.667) 1.828 12.561 ( 0.822 1.661 -1.487) 2.376 12.661 ( -2.469 1.830 1.372) 3.366 12.846 ( 2.321 1.094 -2.050) 3.285 ======================= Grid point 206 (101/140) ======================= q-point: (-0.56 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 5.513 0.000 -3.883) 6.743 2.175 ( 0.447 0.000 -3.547) 3.575 2.621 ( 3.007 0.000 -0.059) 3.008 2.637 ( -6.857 -0.000 5.224) 8.620 3.109 ( 4.063 0.000 9.071) 9.940 3.268 ( 3.369 0.000 1.410) 3.652 3.670 ( 2.809 0.000 6.116) 6.731 3.749 ( -5.322 -0.000 6.812) 8.644 4.176 ( -0.356 -0.000 0.696) 0.782 4.581 ( -6.998 -0.000 -8.386) 10.922 4.655 ( -5.801 -0.000 -5.844) 8.235 4.704 ( 1.168 0.000 -13.167) 13.219 5.277 ( -0.616 -0.000 12.292) 12.308 5.433 ( -5.323 -0.000 11.178) 12.381 5.658 ( 6.964 0.000 -8.029) 10.629 5.898 ( -2.576 -0.000 13.481) 13.725 5.914 ( 7.704 0.000 -9.928) 12.566 6.437 ( 2.797 0.000 -8.282) 8.741 6.676 ( 2.922 0.000 -3.271) 4.386 6.686 ( -0.227 -0.000 -0.464) 0.516 7.399 ( 3.233 0.000 1.051) 3.400 7.478 ( -6.810 -0.000 3.875) 7.835 7.807 ( 1.241 0.000 1.849) 2.227 7.974 ( -1.707 -0.000 -2.747) 3.234 8.278 ( 3.329 0.000 4.461) 5.566 8.334 ( -0.141 -0.000 2.803) 2.807 8.480 ( -4.076 -0.000 5.198) 6.605 8.619 ( -4.308 -0.000 -3.578) 5.600 8.789 ( 2.903 0.000 -1.837) 3.436 8.934 ( -1.631 -0.000 -3.524) 3.884 9.236 ( -1.544 -0.000 -1.104) 1.898 9.455 ( -1.290 -0.000 -8.263) 8.363 9.718 ( 2.180 0.000 2.835) 3.576 9.831 ( -0.896 -0.000 1.818) 2.027 10.128 ( 1.380 0.000 -4.423) 4.633 10.177 ( -2.750 -0.000 -0.896) 2.893 10.670 ( -2.834 -0.000 -1.302) 3.118 10.701 ( -0.695 -0.000 -3.652) 3.718 10.890 ( 2.989 0.000 4.794) 5.650 10.900 ( -1.799 -0.000 3.491) 3.927 11.113 ( 3.114 0.000 -0.058) 3.115 11.225 ( -1.606 -0.000 0.290) 1.632 11.354 ( -2.475 -0.000 8.835) 9.176 11.580 ( 1.098 0.000 -1.718) 2.039 11.703 ( -4.920 -0.000 1.905) 5.276 11.898 ( -1.328 -0.000 -4.266) 4.468 11.931 ( -3.823 -0.000 -0.328) 3.837 12.004 ( 4.882 0.000 -4.350) 6.539 12.396 ( 3.460 0.000 6.801) 7.631 12.646 ( 1.572 0.000 -3.001) 3.388 12.715 ( 2.977 0.000 -0.205) 2.984 12.768 ( 1.846 0.000 -1.641) 2.470 13.015 ( 7.645 0.000 -0.975) 7.706 13.087 ( 0.176 0.000 -1.942) 1.950 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.620 -0.156 -0.901) 2.775 2.207 ( -2.430 -3.464 -4.699) 6.323 2.600 ( -9.848 -3.060 4.842) 11.392 2.637 ( -2.421 -0.975 2.316) 3.489 3.106 ( 4.080 4.624 7.405) 9.637 3.303 ( 3.345 0.708 -0.217) 3.426 3.584 ( 1.639 4.587 13.109) 13.984 3.910 ( -1.543 -8.023 2.488) 8.541 4.166 ( 0.290 1.436 1.387) 2.017 4.446 ( -0.615 4.125 -7.556) 8.630 4.619 ( -5.445 -2.468 -6.080) 8.527 4.767 ( 1.600 -4.730 -7.898) 9.344 5.248 ( -4.240 4.175 6.940) 9.142 5.423 ( -4.664 -1.282 10.611) 11.662 5.574 ( 3.105 9.067 -4.597) 10.630 5.907 ( 7.064 -0.621 -5.073) 8.719 6.071 ( 1.080 -7.551 2.594) 8.057 6.416 ( 2.372 1.591 -7.436) 7.966 6.702 ( -1.290 -5.374 0.559) 5.555 6.793 ( 1.947 -7.269 -3.154) 8.160 7.429 ( -2.469 -1.825 4.180) 5.187 7.522 ( 1.143 -6.044 0.811) 6.204 7.884 ( -0.264 -6.811 2.181) 7.157 8.018 ( -1.630 -7.085 -2.622) 7.728 8.283 ( -0.228 0.669 3.598) 3.667 8.404 ( 1.313 -4.390 1.590) 4.850 8.489 ( -0.281 -2.197 3.386) 4.046 8.621 ( -0.002 -2.652 -2.027) 3.338 8.833 ( 0.035 -3.564 -1.150) 3.745 8.956 ( 0.324 -4.589 -3.123) 5.560 9.230 ( 0.925 0.035 -0.644) 1.128 9.439 ( -0.052 -1.396 -8.365) 8.481 9.719 ( 2.471 2.721 3.006) 4.748 9.822 ( -0.904 0.374 -0.381) 1.050 10.124 ( 1.333 -0.036 -1.560) 2.052 10.205 ( -0.968 -4.061 -3.135) 5.221 10.620 ( -3.730 2.639 0.699) 4.622 10.665 ( -2.560 0.631 -1.691) 3.133 10.883 ( 2.325 1.566 1.152) 3.031 10.907 ( 2.544 3.196 2.018) 4.556 11.124 ( 1.605 1.777 0.601) 2.468 11.187 ( -2.151 1.747 -0.790) 2.881 11.353 ( -1.617 1.309 10.958) 11.154 11.572 ( 1.103 1.905 0.897) 2.377 11.645 ( -4.797 1.361 -0.090) 4.987 11.803 ( -0.236 4.607 -3.487) 5.782 11.952 ( -2.148 -1.512 -0.793) 2.744 12.031 ( 3.374 -0.332 -3.412) 4.810 12.396 ( 0.576 3.963 5.451) 6.764 12.596 ( 0.806 5.463 -1.227) 5.657 12.694 ( 0.526 2.289 -0.427) 2.387 12.766 ( 0.479 1.544 -2.657) 3.111 12.989 ( 1.983 6.311 -0.456) 6.631 13.055 ( 2.269 3.760 -3.004) 5.321 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -6.477 -5.261 0.832) 8.386 2.237 ( -2.615 -4.309 -4.269) 6.606 2.562 ( -15.450 -2.663 6.691) 17.046 2.682 ( -0.955 -4.028 4.635) 6.214 3.085 ( -0.003 2.077 3.400) 3.984 3.288 ( 4.910 2.846 -2.551) 6.222 3.625 ( 4.550 0.271 16.662) 17.274 3.994 ( -2.748 -3.023 1.844) 4.482 4.130 ( 1.162 2.917 0.581) 3.193 4.379 ( 2.006 3.794 -1.150) 4.443 4.607 ( -3.457 -0.635 -1.670) 3.891 4.802 ( 3.973 1.202 -4.469) 6.099 5.106 ( -6.067 6.724 2.834) 9.490 5.421 ( -3.429 0.856 -4.915) 6.054 5.497 ( 0.047 -2.701 4.133) 4.937 5.950 ( 4.268 -0.814 -9.617) 10.553 6.199 ( -0.960 -4.511 1.928) 4.999 6.396 ( 2.988 0.728 -3.545) 4.693 6.833 ( -2.300 -8.564 1.411) 8.979 6.940 ( 1.042 -7.085 -2.073) 7.455 7.480 ( -2.170 -4.124 4.765) 6.665 7.661 ( 2.335 -5.883 -0.070) 6.330 8.049 ( -4.288 -11.361 1.995) 12.306 8.209 ( 0.955 -12.834 -0.559) 12.882 8.308 ( 0.364 -3.599 0.156) 3.621 8.509 ( -1.193 -4.699 1.010) 4.953 8.562 ( 3.780 -4.988 -2.763) 6.842 8.698 ( 4.660 -3.575 -0.801) 5.927 8.929 ( -2.894 -8.177 0.672) 8.701 9.086 ( 3.217 -7.791 -3.584) 9.159 9.253 ( 1.717 -1.298 2.392) 3.218 9.447 ( 1.009 -1.397 -7.486) 7.681 9.688 ( 1.445 2.717 2.240) 3.806 9.801 ( 2.672 2.133 -2.950) 4.516 10.149 ( 1.168 -1.619 0.556) 2.072 10.277 ( 1.305 -4.459 -4.318) 6.342 10.492 ( -5.147 6.505 3.201) 8.891 10.662 ( 0.628 -0.610 -0.211) 0.900 10.809 ( 2.700 9.330 1.420) 9.816 10.876 ( 1.203 1.375 -2.173) 2.839 11.061 ( -2.630 4.327 1.693) 5.339 11.138 ( -0.154 2.126 -1.502) 2.608 11.333 ( -0.944 4.016 10.012) 10.828 11.515 ( -0.245 4.400 1.993) 4.836 11.580 ( -2.746 2.385 -0.900) 3.747 11.729 ( 2.300 2.688 -3.633) 5.071 11.927 ( -2.236 2.558 1.087) 3.567 12.041 ( 1.675 1.011 -3.568) 4.069 12.306 ( -2.813 5.184 4.963) 7.708 12.472 ( 1.277 7.174 -0.815) 7.332 12.615 ( -3.503 5.641 0.777) 6.685 12.718 ( -0.292 2.058 -2.383) 3.162 12.864 ( -1.553 5.974 -0.823) 6.227 12.968 ( 2.611 5.618 -3.817) 7.277 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -3.908 -6.683 -0.227) 7.745 2.301 ( -1.357 -4.396 -0.763) 4.664 2.529 ( -14.512 -6.882 7.044) 17.538 2.759 ( -3.090 -4.241 0.826) 5.312 3.012 ( -2.805 5.066 0.949) 5.868 3.288 ( 5.964 2.038 -0.988) 6.380 3.683 ( 4.190 3.957 14.127) 15.258 4.026 ( -2.951 -2.088 10.192) 10.814 4.117 ( 2.900 -0.216 -3.274) 4.379 4.278 ( -0.331 7.515 3.606) 8.342 4.519 ( -1.447 7.726 -1.994) 8.109 4.796 ( 5.827 2.714 -3.194) 7.178 5.017 ( -3.045 -3.408 1.951) 4.968 5.373 ( -3.142 -0.844 -9.074) 9.639 5.597 ( -3.477 -6.962 5.146) 9.330 5.964 ( 2.721 -0.734 -8.881) 9.317 6.220 ( -3.470 0.070 -0.461) 3.501 6.418 ( 3.129 -0.017 -0.907) 3.258 6.957 ( -1.943 -5.387 1.882) 6.028 7.049 ( -0.096 -4.440 -1.125) 4.581 7.564 ( -0.929 -4.279 5.181) 6.783 7.767 ( -0.785 -4.464 0.076) 4.533 8.221 ( -1.922 -7.779 1.035) 8.080 8.367 ( -0.728 -6.176 -1.136) 6.322 8.471 ( -1.529 -8.127 -1.504) 8.405 8.572 ( -0.097 -5.341 -2.130) 5.751 8.749 ( 9.651 -7.420 -4.527) 12.988 8.841 ( 2.095 -9.828 0.754) 10.077 9.055 ( -5.308 -7.084 -1.470) 8.973 9.238 ( 3.454 -5.597 -2.503) 7.037 9.366 ( 4.103 -7.867 4.319) 9.868 9.462 ( 2.638 -0.264 -3.647) 4.509 9.679 ( 0.209 -1.439 -0.221) 1.470 9.771 ( 6.306 4.177 -2.972) 8.127 10.198 ( 1.534 -0.994 1.590) 2.423 10.318 ( -1.413 6.078 1.341) 6.383 10.378 ( 0.947 -3.453 -3.628) 5.097 10.594 ( 1.830 10.744 -0.196) 10.901 10.699 ( 0.107 1.780 3.618) 4.034 10.858 ( -0.366 0.249 -2.287) 2.329 10.961 ( -2.067 3.695 2.075) 4.715 11.085 ( 1.375 3.534 -2.751) 4.685 11.222 ( -1.518 7.978 5.088) 9.583 11.418 ( -2.215 5.458 0.840) 5.950 11.511 ( -0.379 3.874 2.498) 4.625 11.689 ( 0.769 3.180 -3.763) 4.986 11.831 ( -3.104 3.662 1.076) 4.920 11.985 ( 1.187 4.964 -4.198) 6.609 12.224 ( -3.151 1.892 6.103) 7.125 12.367 ( 0.473 4.596 -1.538) 4.870 12.477 ( -3.359 4.165 1.611) 5.588 12.658 ( -0.876 3.187 -2.346) 4.053 12.751 ( -2.049 3.820 0.332) 4.348 12.897 ( 1.007 2.305 -3.611) 4.400 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -4.676 -1.226 -1.127) 4.964 2.398 ( 0.447 -6.074 1.615) 6.301 2.599 ( -5.853 -5.855 2.557) 8.664 2.759 ( -0.821 3.375 -0.964) 3.605 2.874 ( -3.029 6.608 2.262) 7.613 3.284 ( 5.596 4.232 0.990) 7.086 3.639 ( -0.612 4.811 11.072) 12.087 4.045 ( -2.680 2.020 10.118) 10.660 4.147 ( -2.597 -2.417 8.543) 9.250 4.205 ( -0.513 -1.078 -5.184) 5.320 4.365 ( 1.968 4.137 -3.699) 5.888 4.797 ( 3.670 0.944 -0.870) 3.888 5.116 ( 0.667 -4.763 -4.697) 6.723 5.375 ( -1.358 -4.901 -0.788) 5.146 5.707 ( -3.964 -6.098 3.445) 8.048 5.964 ( 2.236 1.301 -6.129) 6.652 6.167 ( -1.564 2.138 -0.816) 2.772 6.409 ( 1.265 3.124 -1.319) 3.619 7.009 ( -0.887 -0.920 1.929) 2.314 7.102 ( 0.054 -1.435 -0.418) 1.495 7.643 ( 0.036 -2.468 4.887) 5.475 7.813 ( -3.306 -2.066 0.867) 3.994 8.293 ( 0.615 -1.119 -3.566) 3.787 8.438 ( -5.015 -3.895 0.968) 6.423 8.567 ( 1.872 -3.323 -2.767) 4.712 8.646 ( 3.306 -1.260 -3.685) 5.108 8.937 ( 3.333 -4.467 -1.208) 5.703 8.973 ( -1.033 -2.829 -3.213) 4.403 9.145 ( -0.429 -3.175 -0.216) 3.211 9.329 ( -1.220 -4.575 -1.641) 5.011 9.498 ( 3.966 -1.780 -0.682) 4.400 9.597 ( 5.292 -8.652 3.306) 10.668 9.705 ( 1.573 2.030 -1.959) 3.230 9.794 ( 3.423 -5.531 0.491) 6.523 10.137 ( 0.685 7.258 -0.072) 7.290 10.232 ( -1.284 1.544 -0.799) 2.162 10.433 ( -1.347 -0.305 -0.255) 1.405 10.501 ( 2.955 -1.465 0.606) 3.353 10.659 ( -1.038 2.551 0.517) 2.802 10.833 ( -1.517 0.952 -0.318) 1.819 10.903 ( -0.265 2.243 0.424) 2.298 11.010 ( 2.498 5.358 -2.748) 6.520 11.123 ( -0.315 0.452 2.167) 2.236 11.308 ( -3.332 2.889 1.572) 4.682 11.411 ( 0.150 7.097 3.707) 8.008 11.621 ( -1.030 0.455 -3.651) 3.821 11.785 ( -0.373 0.763 -0.105) 0.856 11.884 ( 2.408 4.674 -3.303) 6.209 12.187 ( -4.174 1.404 3.070) 5.368 12.302 ( -0.905 1.143 -0.498) 1.541 12.434 ( 0.772 0.185 2.098) 2.243 12.595 ( 0.175 1.992 -1.040) 2.254 12.684 ( -1.598 1.971 0.278) 2.553 12.863 ( -0.372 0.751 -2.780) 2.903 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -12.445 -0.000 -1.769) 12.570 2.088 ( -9.773 -0.000 0.682) 9.797 2.509 ( -7.349 -0.000 4.294) 8.512 2.609 ( -2.418 -0.000 3.426) 4.193 3.204 ( -3.589 -0.000 6.133) 7.106 3.278 ( -2.293 -0.000 -0.608) 2.372 3.699 ( -4.233 -0.000 8.317) 9.332 3.841 ( 10.699 0.000 5.199) 11.895 4.199 ( 2.267 0.000 2.145) 3.120 4.454 ( -1.106 -0.000 -9.271) 9.337 4.560 ( -0.655 -0.000 -6.149) 6.184 4.686 ( 5.165 0.000 -9.291) 10.630 5.280 ( -6.281 -0.000 9.483) 11.375 5.414 ( -3.297 -0.000 11.884) 12.333 5.714 ( 4.756 0.000 -8.245) 9.518 5.947 ( -1.270 -0.000 12.924) 12.986 5.986 ( 6.595 0.000 -10.886) 12.728 6.406 ( -0.465 -0.000 -9.017) 9.029 6.668 ( -1.273 -0.000 -1.497) 1.966 6.693 ( 1.098 0.000 -2.327) 2.573 7.403 ( -3.403 -0.000 2.046) 3.971 7.482 ( 4.556 0.000 3.679) 5.856 7.826 ( -1.074 -0.000 1.982) 2.254 7.927 ( -1.585 -0.000 -2.778) 3.198 8.317 ( -2.628 -0.000 3.768) 4.594 8.336 ( -0.820 -0.000 2.099) 2.254 8.495 ( 1.522 0.000 4.614) 4.858 8.614 ( 6.870 0.000 -2.228) 7.222 8.799 ( -0.739 -0.000 -1.282) 1.479 8.891 ( -0.721 -0.000 -3.855) 3.921 9.249 ( 3.708 0.000 -0.900) 3.816 9.411 ( 1.627 0.000 -6.893) 7.083 9.786 ( 3.880 0.000 2.516) 4.624 9.817 ( -0.393 -0.000 -1.136) 1.202 10.120 ( -2.626 -0.000 -1.837) 3.204 10.162 ( 3.954 0.000 -1.710) 4.308 10.617 ( -2.957 -0.000 0.395) 2.983 10.641 ( -3.219 -0.000 -0.299) 3.233 10.924 ( 1.620 0.000 1.804) 2.424 10.954 ( 2.771 0.000 1.167) 3.006 11.171 ( 2.273 0.000 0.483) 2.323 11.174 ( -3.394 -0.000 -1.624) 3.763 11.399 ( 0.131 0.000 13.006) 13.007 11.575 ( -1.157 -0.000 -0.983) 1.518 11.611 ( -5.940 -0.000 -0.523) 5.963 11.868 ( 1.229 0.000 -5.078) 5.224 11.886 ( -1.541 -0.000 2.039) 2.556 12.055 ( 3.340 0.000 -3.438) 4.793 12.454 ( -1.439 -0.000 5.426) 5.613 12.616 ( -2.843 -0.000 -2.813) 4.000 12.744 ( 1.338 0.000 -1.037) 1.693 12.764 ( -0.609 -0.000 -3.237) 3.294 13.047 ( -3.216 -0.000 -3.298) 4.606 13.115 ( 3.973 0.000 -0.181) 3.977 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -15.501 -3.208 3.291) 16.168 2.063 ( -13.529 -6.848 0.304) 15.166 2.439 ( -9.482 1.515 4.553) 10.626 2.629 ( -3.399 -2.101 4.678) 6.152 3.115 ( -7.803 1.784 3.922) 8.913 3.278 ( -4.698 -2.061 -2.956) 5.921 3.719 ( 3.962 -0.923 12.523) 13.167 3.956 ( 6.711 -0.822 0.929) 6.825 4.212 ( 2.975 2.199 3.570) 5.141 4.432 ( 3.360 0.607 -6.384) 7.240 4.521 ( -1.704 -0.570 -4.380) 4.735 4.805 ( 7.282 -5.259 -5.812) 10.699 5.193 ( -6.530 5.638 7.304) 11.304 5.418 ( -1.276 1.394 9.588) 9.773 5.588 ( 1.470 9.193 -4.679) 10.420 5.968 ( 3.919 1.084 -9.283) 10.134 6.089 ( -1.331 -6.728 3.122) 7.536 6.387 ( -0.208 -1.332 -7.421) 7.543 6.676 ( -2.166 -4.901 1.232) 5.498 6.791 ( 0.138 -7.597 -3.192) 8.241 7.413 ( -0.416 -2.576 1.852) 3.200 7.588 ( 3.537 -4.740 3.310) 6.778 7.852 ( -4.025 -5.152 1.760) 6.771 7.999 ( 0.411 -8.903 -1.912) 9.115 8.277 ( -1.962 0.274 2.146) 2.920 8.402 ( -1.411 -4.719 0.866) 5.001 8.537 ( 3.418 -1.581 1.988) 4.259 8.710 ( 9.776 -2.155 -1.946) 10.198 8.798 ( -3.173 -2.428 0.224) 4.002 8.946 ( 1.479 -6.598 -4.236) 7.979 9.280 ( 4.258 0.703 0.771) 4.384 9.426 ( 3.286 -1.309 -5.424) 6.476 9.769 ( 1.667 3.313 0.377) 3.728 9.844 ( 4.471 -0.346 -0.348) 4.498 10.118 ( -0.885 -2.080 -1.402) 2.660 10.215 ( 3.340 -2.441 -1.709) 4.476 10.558 ( -3.641 3.366 2.518) 5.562 10.639 ( -0.888 -1.514 0.970) 2.006 10.908 ( 0.390 2.943 -0.426) 2.999 10.962 ( 3.004 2.561 -0.170) 3.952 11.111 ( -3.585 3.016 0.185) 4.689 11.165 ( -0.272 1.548 0.379) 1.617 11.422 ( 0.979 1.899 11.583) 11.778 11.537 ( -5.884 1.564 -1.959) 6.395 11.580 ( -0.712 -0.539 0.299) 0.942 11.813 ( 2.948 3.750 -2.380) 5.330 11.915 ( -1.431 -0.900 0.269) 1.712 12.064 ( 2.110 0.425 -2.820) 3.547 12.396 ( -4.257 4.765 4.657) 7.907 12.555 ( -3.605 2.461 -3.307) 5.476 12.691 ( -0.458 4.438 -1.531) 4.717 12.740 ( -1.471 1.901 -1.803) 3.005 12.940 ( -4.914 5.240 -3.705) 8.083 13.092 ( 1.971 4.904 -1.223) 5.425 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -10.538 -10.623 5.827) 16.058 2.130 ( -9.741 -11.320 -0.230) 14.936 2.332 ( -13.058 0.666 6.666) 14.676 2.637 ( -8.084 -3.973 1.469) 9.127 3.050 ( -4.489 1.367 0.708) 4.745 3.273 ( -4.050 -2.789 -3.729) 6.171 3.847 ( 8.249 -0.950 14.942) 17.095 3.992 ( 3.759 1.155 -1.634) 4.258 4.185 ( 2.761 4.268 4.883) 7.048 4.416 ( 2.471 4.062 0.317) 4.765 4.543 ( -2.752 -2.939 0.211) 4.032 4.894 ( 6.558 1.246 -2.634) 7.176 5.031 ( -3.665 6.309 4.303) 8.471 5.341 ( -2.140 5.088 -3.168) 6.365 5.519 ( 0.343 -1.224 3.172) 3.417 5.948 ( 2.289 -0.319 -10.959) 11.200 6.162 ( -3.155 -2.792 -1.231) 4.389 6.413 ( 1.391 -2.125 -3.131) 4.032 6.803 ( -2.232 -8.775 1.963) 9.265 6.925 ( -1.135 -7.280 -2.259) 7.707 7.491 ( 1.010 -4.209 2.419) 4.958 7.687 ( -1.188 -3.523 2.508) 4.485 8.001 ( -1.447 -12.068 1.551) 12.253 8.218 ( 0.491 -11.396 -1.294) 11.480 8.301 ( -1.210 -5.109 -0.281) 5.258 8.466 ( -0.913 -3.419 -0.897) 3.651 8.658 ( 5.046 -7.307 -0.353) 8.887 8.799 ( 5.458 -1.524 -2.030) 6.020 8.874 ( -0.967 -6.181 0.241) 6.261 9.118 ( 4.208 -9.130 -5.200) 11.318 9.307 ( 1.967 -1.246 3.281) 4.023 9.480 ( 5.570 -1.443 -3.429) 6.698 9.721 ( 2.401 3.418 0.157) 4.180 9.887 ( 7.553 1.418 -0.606) 7.709 10.168 ( 0.925 -3.031 0.584) 3.222 10.296 ( 2.968 -3.900 -3.239) 5.874 10.445 ( -3.127 6.467 3.544) 8.010 10.675 ( 0.152 -1.306 1.752) 2.190 10.833 ( -0.684 4.894 -0.683) 4.989 10.893 ( 2.724 6.280 -1.019) 6.920 11.005 ( -4.366 3.913 1.782) 6.127 11.131 ( 0.087 1.720 -1.066) 2.026 11.381 ( -1.200 6.583 5.136) 8.435 11.452 ( -5.554 1.959 1.545) 6.089 11.564 ( 0.956 1.978 -0.384) 2.230 11.767 ( 3.354 3.610 -3.125) 5.835 11.869 ( -4.340 3.448 0.251) 5.548 12.059 ( 1.501 1.899 -0.825) 2.557 12.263 ( -5.174 4.619 5.096) 8.607 12.460 ( -1.872 4.019 -2.434) 5.058 12.546 ( -3.599 7.199 -1.927) 8.276 12.677 ( -2.533 1.714 -1.241) 3.300 12.802 ( -3.917 3.717 -2.820) 6.092 12.980 ( 0.588 6.577 -1.975) 6.893 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -4.375 -7.440 1.633) 8.784 2.259 ( -5.254 -4.865 4.119) 8.261 2.332 ( -10.310 -15.090 5.450) 19.071 2.680 ( -5.989 -7.228 -2.359) 9.679 2.955 ( -3.562 4.972 -1.849) 6.389 3.284 ( -4.384 -2.798 -2.289) 5.682 3.874 ( 7.480 10.505 13.107) 18.388 4.034 ( 0.316 -4.568 -2.171) 5.067 4.140 ( -0.952 3.790 8.447) 9.307 4.301 ( -0.231 8.972 5.238) 10.392 4.485 ( -0.695 6.980 -2.296) 7.381 4.896 ( 3.759 2.387 1.503) 4.700 5.033 ( 4.423 -4.892 3.851) 7.637 5.251 ( -4.226 -1.061 -6.750) 8.034 5.584 ( -1.564 -4.343 3.483) 5.783 5.965 ( 3.298 -1.457 -8.454) 9.190 6.162 ( -1.490 -0.776 -3.113) 3.537 6.443 ( 0.757 -0.203 -2.026) 2.172 6.941 ( -1.149 -6.058 1.719) 6.401 7.027 ( -1.601 -5.345 -0.915) 5.654 7.589 ( 0.611 -4.150 3.655) 5.564 7.736 ( -3.364 -3.299 2.301) 5.244 8.214 ( 0.831 -8.093 -0.420) 8.147 8.327 ( -2.433 -4.568 -2.159) 5.607 8.453 ( 0.873 -7.342 -0.652) 7.422 8.573 ( 1.475 -8.374 -3.478) 9.187 8.829 ( 1.792 -6.322 -0.364) 6.582 8.933 ( 1.924 -2.644 -1.360) 3.541 8.963 ( 2.095 -10.601 -0.211) 10.808 9.252 ( 2.283 -3.166 -5.241) 6.534 9.428 ( 0.910 -6.950 1.623) 7.195 9.555 ( 4.580 -3.548 -0.370) 5.806 9.701 ( 4.114 0.901 1.206) 4.381 9.897 ( 7.963 5.252 0.422) 9.548 10.230 ( 0.364 -1.391 1.406) 2.012 10.287 ( -1.041 6.747 -0.506) 6.846 10.394 ( 2.016 -3.281 -2.811) 4.768 10.630 ( 2.427 9.310 0.340) 9.627 10.707 ( -3.453 2.377 4.815) 6.384 10.820 ( -1.531 3.496 0.237) 3.824 10.945 ( -0.066 1.036 -0.590) 1.194 11.087 ( 0.663 2.980 -3.537) 4.672 11.221 ( -2.023 7.829 1.686) 8.260 11.350 ( -4.943 3.529 0.760) 6.121 11.523 ( 0.266 3.353 1.892) 3.859 11.666 ( -1.390 7.414 -2.232) 7.866 11.780 ( -2.812 0.457 -0.167) 2.854 11.989 ( 1.191 5.056 -1.312) 5.357 12.203 ( -3.705 1.999 4.390) 6.083 12.327 ( -1.554 4.076 -3.594) 5.652 12.465 ( 0.224 0.900 1.984) 2.191 12.629 ( -0.371 1.693 -1.261) 2.143 12.704 ( -3.260 2.431 -1.925) 4.499 12.875 ( -1.239 3.150 -2.048) 3.956 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -21.523 -0.000 3.832) 21.862 1.832 ( -20.416 -0.000 8.699) 22.192 2.405 ( -9.954 -0.000 1.082) 10.013 2.593 ( -3.619 -0.000 4.528) 5.796 2.982 ( -23.921 -0.000 7.872) 25.183 3.220 ( -2.032 -0.000 -1.828) 2.733 3.759 ( 4.871 0.000 8.235) 9.568 4.051 ( 11.144 0.000 0.949) 11.184 4.254 ( 1.193 0.000 2.788) 3.033 4.428 ( 3.764 0.000 -8.779) 9.552 4.578 ( 6.150 0.000 -2.327) 6.575 4.784 ( 10.733 0.000 -4.534) 11.651 5.214 ( -6.884 -0.000 8.909) 11.259 5.477 ( 2.667 0.000 9.448) 9.817 5.715 ( 1.028 0.000 -8.707) 8.767 5.966 ( -0.973 -0.000 -13.956) 13.990 5.994 ( -1.753 -0.000 10.975) 11.115 6.326 ( -2.142 -0.000 -8.094) 8.373 6.624 ( -2.452 -0.000 -2.053) 3.198 6.695 ( 0.272 0.000 -0.711) 0.762 7.393 ( 1.722 0.000 -0.645) 1.839 7.583 ( 2.653 0.000 5.818) 6.394 7.784 ( -4.608 -0.000 2.568) 5.275 7.895 ( 0.038 0.000 -2.898) 2.898 8.285 ( -1.646 -0.000 1.679) 2.352 8.336 ( -0.042 -0.000 -0.681) 0.682 8.560 ( 2.694 0.000 3.914) 4.752 8.754 ( 5.901 0.000 -0.556) 5.927 8.769 ( -1.727 -0.000 1.008) 1.999 8.890 ( 7.351 0.000 -6.628) 9.898 9.347 ( 7.213 0.000 0.761) 7.253 9.421 ( 2.470 0.000 -2.306) 3.379 9.819 ( 2.340 0.000 -3.518) 4.225 9.876 ( 4.853 0.000 1.569) 5.100 10.076 ( -0.850 -0.000 -1.478) 1.705 10.220 ( 2.972 0.000 -0.354) 2.993 10.571 ( -3.131 -0.000 1.446) 3.449 10.614 ( -0.949 -0.000 2.908) 3.059 10.951 ( 0.439 0.000 0.143) 0.462 11.004 ( 1.940 0.000 0.310) 1.965 11.105 ( -2.932 -0.000 -2.015) 3.558 11.174 ( -2.850 -0.000 2.805) 3.999 11.460 ( -3.401 -0.000 2.857) 4.441 11.533 ( -2.145 -0.000 -1.588) 2.668 11.550 ( 1.099 0.000 7.745) 7.823 11.870 ( 1.338 0.000 -3.152) 3.425 11.909 ( 2.870 0.000 1.817) 3.397 12.071 ( 0.744 0.000 -3.095) 3.183 12.409 ( -6.523 -0.000 3.837) 7.568 12.518 ( -6.085 -0.000 -4.007) 7.286 12.718 ( -2.136 -0.000 -3.052) 3.726 12.756 ( 0.750 0.000 -1.378) 1.569 12.929 ( -7.521 -0.000 -6.044) 9.649 13.147 ( 0.232 0.000 -0.832) 0.864 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -18.224 -9.334 8.864) 22.312 1.782 ( -20.103 -9.872 9.916) 24.493 2.295 ( -11.999 0.253 0.493) 12.012 2.501 ( -13.812 2.261 3.817) 14.507 2.909 ( -16.218 -7.866 6.038) 19.009 3.201 ( -1.156 0.065 -2.913) 3.134 3.870 ( 6.751 -3.227 7.245) 10.415 4.117 ( 9.609 2.632 0.897) 10.003 4.290 ( 2.344 -1.000 6.470) 6.954 4.468 ( 4.444 -2.077 -6.093) 7.823 4.531 ( 5.391 7.132 -0.467) 8.952 4.928 ( 7.912 -2.607 -1.256) 8.425 5.133 ( -3.982 4.829 5.570) 8.378 5.487 ( 2.721 6.420 2.398) 7.373 5.576 ( -0.058 6.451 0.096) 6.452 5.904 ( -2.557 -0.801 -14.162) 14.413 6.066 ( -2.906 -3.833 1.926) 5.182 6.339 ( -0.717 -4.513 -5.596) 7.225 6.645 ( -1.934 -5.446 0.733) 5.826 6.767 ( -1.003 -6.693 -1.798) 7.002 7.444 ( 3.577 -2.915 -0.836) 4.690 7.625 ( -3.697 -1.915 4.566) 6.180 7.815 ( -0.535 -6.586 2.813) 7.181 7.999 ( 1.346 -10.197 -2.296) 10.539 8.252 ( -1.511 0.685 0.071) 1.661 8.391 ( -0.029 -4.162 -2.305) 4.758 8.613 ( 3.634 -2.292 3.279) 5.404 8.749 ( -2.237 -0.959 2.046) 3.179 8.848 ( 4.849 -3.910 -0.201) 6.232 9.011 ( 11.420 -4.998 -7.040) 14.317 9.357 ( 3.267 3.069 1.928) 4.880 9.487 ( 5.342 -2.272 -0.472) 5.825 9.805 ( 3.679 2.476 -3.079) 5.399 9.940 ( 5.797 -1.485 -0.037) 5.984 10.108 ( 1.004 -3.420 -0.294) 3.577 10.264 ( 2.536 -2.052 -0.043) 3.263 10.518 ( -3.249 3.067 2.416) 5.079 10.640 ( -0.616 -2.246 2.458) 3.386 10.893 ( -1.141 4.362 -1.397) 4.720 10.999 ( 0.195 2.100 0.527) 2.173 11.045 ( -3.291 3.050 -0.034) 4.487 11.155 ( -1.386 0.577 1.729) 2.289 11.401 ( -5.862 2.237 -0.032) 6.275 11.519 ( 1.221 1.453 2.461) 3.108 11.584 ( 0.896 0.763 4.465) 4.618 11.840 ( 0.544 2.762 -2.456) 3.736 11.919 ( 2.169 3.079 0.046) 3.767 12.072 ( 0.371 -0.731 -0.318) 0.879 12.315 ( -7.153 4.099 3.580) 8.988 12.446 ( -5.909 0.097 -4.193) 7.247 12.643 ( -3.603 5.601 -5.312) 8.519 12.706 ( -1.957 3.926 -0.558) 4.422 12.803 ( -6.560 2.235 -4.636) 8.338 13.093 ( -0.888 4.805 -1.424) 5.090 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -11.127 -16.194 10.014) 22.054 1.913 ( -15.626 -17.071 9.200) 24.905 2.216 ( -4.431 0.372 -0.109) 4.448 2.418 ( -15.434 -8.226 0.867) 17.511 2.928 ( -9.582 -3.347 -0.918) 10.191 3.180 ( -3.355 -1.146 -3.892) 5.265 3.987 ( 4.371 -1.638 -0.289) 4.677 4.142 ( 6.829 4.305 9.448) 12.427 4.296 ( 6.290 8.729 8.003) 13.409 4.465 ( 0.078 4.612 5.811) 7.419 4.524 ( 1.330 -2.226 0.997) 2.778 4.882 ( -4.905 3.358 1.356) 6.097 5.124 ( 9.412 1.325 0.976) 9.554 5.291 ( -0.910 9.377 -4.707) 10.532 5.554 ( 0.644 0.452 2.986) 3.088 5.909 ( 1.687 -4.002 -10.127) 11.019 6.093 ( -2.562 -3.016 -4.873) 6.277 6.401 ( -0.600 -3.241 -4.270) 5.394 6.782 ( -1.094 -9.015 1.209) 9.161 6.888 ( -1.778 -7.246 -0.749) 7.499 7.535 ( 1.902 -3.399 1.542) 4.189 7.645 ( -4.331 -3.582 2.878) 6.315 8.014 ( 1.025 -12.125 1.205) 12.228 8.212 ( -0.507 -6.814 -0.724) 6.871 8.282 ( 0.806 -8.607 -2.464) 8.989 8.459 ( 1.041 -4.155 -3.220) 5.359 8.735 ( 2.704 -5.445 3.196) 6.868 8.789 ( -1.256 -4.896 2.070) 5.462 8.963 ( 6.680 -2.655 -0.522) 7.207 9.187 ( 8.306 -5.311 -7.786) 12.563 9.352 ( 0.838 -1.153 2.795) 3.137 9.546 ( 1.920 -0.325 0.773) 2.094 9.790 ( 6.203 2.307 -2.421) 7.047 10.019 ( 6.784 -0.300 0.436) 6.805 10.200 ( 2.087 -3.235 2.257) 4.463 10.312 ( -0.340 -1.122 -2.203) 2.496 10.419 ( -0.820 4.106 0.841) 4.271 10.664 ( -4.402 0.059 4.980) 6.648 10.816 ( 0.308 4.036 -1.179) 4.216 10.927 ( 0.741 3.735 -0.034) 3.808 10.965 ( -0.365 3.598 -0.473) 3.647 11.131 ( 0.823 1.868 -1.059) 2.299 11.277 ( -8.368 3.715 -0.735) 9.185 11.432 ( -1.857 8.437 4.937) 9.950 11.586 ( 0.989 1.137 -1.072) 1.850 11.763 ( -2.372 3.421 -1.254) 4.348 11.822 ( 0.286 7.260 -1.016) 7.336 12.069 ( -1.479 2.644 2.534) 3.950 12.214 ( -3.304 1.502 3.816) 5.266 12.398 ( -2.402 4.225 -3.797) 6.168 12.454 ( -3.607 0.857 -5.559) 6.682 12.644 ( -1.024 1.465 -0.058) 1.789 12.712 ( -4.051 2.448 -2.382) 5.299 12.961 ( -1.705 6.760 -1.633) 7.160 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -21.703 -0.000 12.703) 25.147 1.551 ( -20.615 -0.000 18.443) 27.661 2.099 ( -25.738 -0.000 4.263) 26.088 2.518 ( -6.021 -0.000 0.264) 6.027 2.643 ( -18.736 -0.000 10.263) 21.363 3.192 ( -1.054 -0.000 -2.886) 3.072 3.925 ( 8.295 0.000 6.642) 10.627 4.250 ( 11.969 0.000 -0.885) 12.002 4.270 ( -0.571 -0.000 2.643) 2.704 4.465 ( 6.258 0.000 -7.157) 9.508 4.713 ( 7.110 0.000 3.409) 7.885 4.972 ( 12.089 0.000 -2.218) 12.291 5.160 ( -4.644 -0.000 7.464) 8.791 5.587 ( 3.461 0.000 6.511) 7.374 5.635 ( -4.159 -0.000 -11.337) 12.075 5.822 ( -3.565 -0.000 -13.124) 13.599 6.010 ( -3.386 -0.000 8.549) 9.195 6.248 ( -1.579 -0.000 -7.533) 7.697 6.578 ( -1.193 -0.000 -0.611) 1.340 6.687 ( -0.785 -0.000 -0.744) 1.082 7.448 ( 5.469 0.000 -2.604) 6.057 7.576 ( -7.222 -0.000 5.073) 8.826 7.768 ( 1.055 0.000 3.831) 3.974 7.893 ( 1.690 0.000 -3.127) 3.554 8.273 ( -0.991 -0.000 -0.338) 1.047 8.315 ( -0.881 -0.000 -3.304) 3.419 8.624 ( 0.786 0.000 5.681) 5.735 8.780 ( 2.588 0.000 2.330) 3.482 8.799 ( 2.427 0.000 1.808) 3.027 9.075 ( 15.730 0.000 -8.107) 17.696 9.463 ( 1.726 0.000 3.001) 3.462 9.486 ( 7.678 0.000 0.282) 7.683 9.849 ( 4.118 0.000 -5.359) 6.759 9.958 ( 3.952 0.000 -0.833) 4.039 10.092 ( 3.198 0.000 1.285) 3.446 10.255 ( 1.263 0.000 0.160) 1.273 10.520 ( -3.974 -0.000 1.741) 4.339 10.608 ( -3.287 -0.000 1.916) 3.805 10.952 ( 1.247 0.000 -0.667) 1.414 10.991 ( -4.315 -0.000 1.270) 4.498 11.052 ( -2.798 -0.000 -0.546) 2.851 11.133 ( -3.051 -0.000 1.981) 3.638 11.401 ( -2.390 -0.000 1.365) 2.753 11.511 ( 0.827 0.000 -0.207) 0.852 11.656 ( 3.261 0.000 7.722) 8.382 11.855 ( -1.826 -0.000 -2.382) 3.001 11.995 ( 5.610 0.000 0.698) 5.654 12.053 ( -1.097 -0.000 -0.894) 1.416 12.298 ( -7.743 -0.000 2.671) 8.191 12.368 ( -7.314 -0.000 -5.539) 9.175 12.652 ( -5.066 -0.000 -5.148) 7.222 12.732 ( -7.685 -0.000 -4.981) 9.158 12.745 ( -0.934 -0.000 -2.429) 2.602 13.117 ( -2.747 -0.000 -1.609) 3.183 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -16.301 -14.219 14.236) 25.895 1.546 ( -17.101 -10.924 19.792) 28.346 1.995 ( -20.052 -9.349 8.240) 23.609 2.333 ( -6.774 6.317 1.691) 9.415 2.696 ( -11.179 -9.654 1.950) 14.899 3.149 ( -3.715 1.099 -5.861) 7.025 4.028 ( 6.770 -0.631 4.867) 8.362 4.237 ( 1.913 1.430 3.642) 4.355 4.404 ( 5.809 -4.107 6.107) 9.376 4.525 ( 6.759 -0.249 -3.415) 7.577 4.656 ( 5.694 9.944 3.244) 11.909 4.985 ( -0.981 8.002 3.155) 8.658 5.177 ( 6.643 -2.236 -1.783) 7.233 5.473 ( -1.866 8.089 -4.653) 9.516 5.604 ( -0.199 3.268 1.944) 3.808 5.788 ( -0.170 -4.694 -8.890) 10.055 6.011 ( -3.564 -1.114 -1.427) 3.998 6.286 ( -1.822 -5.708 -5.614) 8.211 6.635 ( 0.663 -5.935 0.722) 6.016 6.738 ( -1.352 -6.011 -0.973) 6.237 7.507 ( 1.016 -1.339 0.474) 1.746 7.553 ( -2.572 -3.196 1.584) 4.398 7.844 ( 0.800 -6.340 2.606) 6.901 8.019 ( 2.127 -10.535 -2.600) 11.058 8.229 ( -0.392 0.703 -1.419) 1.631 8.363 ( -1.123 -4.703 -3.203) 5.800 8.672 ( -1.066 -3.186 6.311) 7.149 8.784 ( 5.286 0.737 2.890) 6.069 8.924 ( 4.326 -5.552 2.788) 7.570 9.200 ( 14.147 -1.625 -9.128) 16.914 9.408 ( 0.393 4.785 2.917) 5.618 9.565 ( 2.310 -0.299 0.542) 2.391 9.862 ( 5.878 1.008 -4.934) 7.740 10.019 ( 3.370 -2.998 -1.088) 4.640 10.165 ( 4.571 -3.391 2.478) 6.207 10.293 ( 0.104 -1.347 0.189) 1.365 10.462 ( -4.252 2.472 0.184) 4.922 10.609 ( -4.767 -3.571 1.264) 6.088 10.868 ( -1.502 4.127 0.105) 4.393 10.980 ( -1.224 2.291 1.331) 2.918 11.013 ( -0.727 1.313 -0.638) 1.631 11.124 ( -3.042 -0.949 0.651) 3.253 11.335 ( -1.855 5.551 1.586) 6.063 11.548 ( 0.193 -1.252 -1.534) 1.989 11.617 ( -0.795 7.024 4.735) 8.508 11.811 ( -1.312 2.091 0.196) 2.477 11.957 ( 1.713 5.748 -1.490) 6.180 12.076 ( -1.697 -0.602 3.095) 3.581 12.223 ( -4.727 1.855 1.443) 5.279 12.333 ( -2.311 -3.714 -4.247) 6.097 12.489 ( -7.348 6.431 -6.419) 11.685 12.671 ( -0.972 2.027 -0.452) 2.293 12.711 ( -2.448 1.306 -2.551) 3.769 13.044 ( -3.523 4.177 -2.157) 5.875 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -12.332 -0.000 22.078) 25.288 1.351 ( -17.115 -0.000 26.895) 31.879 1.776 ( -14.270 -0.000 19.747) 24.364 2.423 ( -2.820 -0.000 -4.187) 5.048 2.443 ( -10.529 -0.000 5.078) 11.690 3.092 ( -7.546 -0.000 -8.145) 11.103 4.092 ( 5.403 0.000 5.728) 7.875 4.282 ( -0.890 -0.000 6.454) 6.515 4.401 ( 5.699 0.000 -3.984) 6.954 4.604 ( 13.385 0.000 -1.135) 13.433 4.805 ( 0.103 0.000 4.894) 4.896 5.125 ( 6.273 0.000 -5.124) 8.100 5.165 ( 0.829 0.000 5.868) 5.926 5.447 ( -5.604 -0.000 -14.374) 15.428 5.647 ( -0.404 -0.000 3.845) 3.866 5.758 ( 2.497 0.000 -6.014) 6.512 5.976 ( -5.512 -0.000 6.192) 8.290 6.181 ( -0.518 -0.000 -8.036) 8.052 6.593 ( 2.737 0.000 0.327) 2.757 6.661 ( -1.361 -0.000 -1.402) 1.953 7.473 ( -6.629 -0.000 4.611) 8.075 7.535 ( 6.368 0.000 -4.076) 7.561 7.810 ( 0.477 0.000 3.387) 3.420 7.912 ( 2.642 0.000 -3.515) 4.397 8.235 ( -2.772 -0.000 -0.578) 2.832 8.283 ( -0.117 -0.000 -3.251) 3.253 8.648 ( -2.273 -0.000 8.085) 8.399 8.885 ( 6.503 0.000 3.780) 7.522 8.896 ( 5.931 0.000 4.785) 7.621 9.277 ( 12.695 0.000 -10.542) 16.501 9.487 ( -2.512 -0.000 4.916) 5.521 9.567 ( 1.261 0.000 -4.440) 4.615 9.912 ( 7.276 0.000 -4.626) 8.622 10.003 ( 1.666 0.000 -0.371) 1.707 10.190 ( 5.874 0.000 1.245) 6.004 10.261 ( -1.137 -0.000 -0.212) 1.156 10.457 ( -3.980 -0.000 1.331) 4.197 10.489 ( -8.875 -0.000 -1.599) 9.018 10.906 ( -5.285 -0.000 1.541) 5.505 10.955 ( -5.484 -0.000 -0.655) 5.523 11.058 ( 8.145 0.000 1.754) 8.332 11.095 ( -2.108 -0.000 1.681) 2.697 11.390 ( -1.023 -0.000 1.669) 1.957 11.497 ( -5.443 -0.000 -4.884) 7.312 11.729 ( 0.345 0.000 5.237) 5.248 11.798 ( -0.816 -0.000 1.494) 1.702 12.019 ( -3.197 -0.000 1.980) 3.760 12.064 ( 0.688 0.000 -0.669) 0.960 12.229 ( 0.257 0.000 1.893) 1.910 12.262 ( 0.324 0.000 -2.594) 2.614 12.476 ( -6.000 -0.000 -3.870) 7.140 12.689 ( -3.299 -0.000 -4.379) 5.482 12.708 ( 3.727 0.000 -0.010) 3.727 13.035 ( -5.371 -0.000 -2.148) 5.785 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -3.708 -0.000 -7.311) 8.197 1.648 ( 3.708 0.000 7.311) 8.197 2.098 ( -2.491 -0.000 -16.369) 16.557 2.098 ( 2.491 0.000 16.369) 16.557 2.632 ( -7.339 -0.000 -11.702) 13.813 2.632 ( 7.339 0.000 11.702) 13.813 4.291 ( 1.626 0.000 -8.387) 8.543 4.291 ( -1.626 -0.000 8.387) 8.543 4.609 ( 5.126 0.000 -17.392) 18.131 4.609 ( -5.126 -0.000 17.392) 18.131 4.886 ( 1.776 0.000 -3.603) 4.017 4.886 ( -1.776 -0.000 3.603) 4.017 5.289 ( 2.651 0.000 -2.752) 3.822 5.289 ( -2.651 -0.000 2.752) 3.822 5.715 ( 3.579 0.000 -4.857) 6.033 5.715 ( -3.579 -0.000 4.857) 6.033 6.010 ( 5.645 0.000 -5.746) 8.055 6.010 ( -5.645 -0.000 5.746) 8.055 6.612 ( -1.042 -0.000 0.007) 1.042 6.612 ( 1.042 0.000 -0.007) 1.042 7.499 ( 5.109 0.000 -5.021) 7.163 7.499 ( -5.109 -0.000 5.021) 7.163 7.869 ( 1.982 0.000 -2.624) 3.289 7.869 ( -1.982 -0.000 2.624) 3.289 8.223 ( 2.581 0.000 -2.832) 3.832 8.223 ( -2.581 -0.000 2.832) 3.832 8.905 ( 3.337 0.000 -12.333) 12.776 8.905 ( -3.337 -0.000 12.333) 12.776 9.137 ( -3.680 -0.000 -5.884) 6.940 9.137 ( 3.680 0.000 5.884) 6.940 9.468 ( -3.101 -0.000 -0.073) 3.101 9.468 ( 3.101 0.000 0.073) 3.101 10.005 ( -9.681 -0.000 2.305) 9.952 10.005 ( 9.681 0.000 -2.305) 9.952 10.198 ( 4.397 0.000 -2.176) 4.906 10.198 ( -4.397 -0.000 2.176) 4.906 10.413 ( -1.132 -0.000 -0.845) 1.412 10.413 ( 1.132 0.000 0.845) 1.412 10.878 ( 0.345 0.000 -0.627) 0.715 10.878 ( -0.345 -0.000 0.627) 0.715 11.161 ( 0.005 0.000 -2.692) 2.692 11.161 ( -0.005 -0.000 2.692) 2.692 11.369 ( -5.118 -0.000 0.998) 5.215 11.369 ( 5.118 0.000 -0.998) 5.215 11.815 ( 1.932 0.000 -3.125) 3.675 11.815 ( -1.932 -0.000 3.125) 3.675 12.033 ( 0.111 0.000 -1.168) 1.173 12.033 ( -0.111 -0.000 1.168) 1.173 12.300 ( -2.602 -0.000 0.708) 2.697 12.300 ( 2.602 0.000 -0.708) 2.697 12.462 ( -6.061 -0.000 -3.346) 6.923 12.462 ( 6.061 0.000 3.346) 6.923 12.862 ( -8.419 -0.000 -1.709) 8.591 12.862 ( 8.419 0.000 1.709) 8.591 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.579 -7.772 -8.840) 11.785 1.799 ( 8.016 -8.258 3.558) 12.046 2.069 ( -0.145 -3.992 -18.623) 19.047 2.210 ( 4.599 -4.267 11.564) 13.156 2.559 ( -0.554 0.990 -5.105) 5.230 2.743 ( 12.304 1.203 11.033) 16.571 4.222 ( -8.858 5.155 0.084) 10.249 4.315 ( 1.363 0.043 1.179) 1.803 4.522 ( -8.083 -0.820 5.758) 9.959 4.637 ( 7.479 0.416 -5.407) 9.238 4.856 ( -7.141 -2.249 -5.436) 9.252 5.020 ( 5.881 -2.266 3.668) 7.292 5.181 ( -4.722 5.106 -6.900) 9.797 5.270 ( 1.686 1.981 5.355) 5.953 5.676 ( -4.298 2.094 -0.072) 4.781 5.743 ( 2.808 -1.377 0.239) 3.137 5.959 ( -2.839 1.800 -2.199) 4.017 6.067 ( 6.195 -1.247 3.791) 7.370 6.666 ( -1.468 -6.079 0.426) 6.268 6.691 ( 1.669 -6.597 -0.276) 6.811 7.505 ( -4.633 -3.283 4.927) 7.518 7.556 ( 4.863 -2.704 -5.000) 7.480 7.916 ( -1.526 -6.286 -1.335) 6.605 7.958 ( 2.168 -7.467 1.111) 7.855 8.236 ( -3.180 -3.108 0.403) 4.465 8.290 ( 3.145 -4.927 -0.473) 5.864 8.880 ( -2.641 0.404 -3.536) 4.432 8.907 ( -2.367 -0.803 2.459) 3.506 9.100 ( -4.967 -2.691 -5.676) 8.008 9.162 ( -3.937 -0.522 5.401) 6.704 9.420 ( -1.216 3.058 -0.576) 3.341 9.515 ( 6.018 -0.195 1.952) 6.329 9.898 ( -12.084 0.829 2.168) 12.305 10.062 ( 3.701 -1.351 -1.670) 4.279 10.203 ( -0.620 -1.347 2.121) 2.588 10.261 ( 3.510 -2.466 -0.788) 4.362 10.426 ( -1.161 -1.906 -0.981) 2.438 10.490 ( 5.113 -4.302 1.325) 6.813 10.864 ( -0.095 1.508 0.180) 1.522 10.903 ( 3.852 0.372 0.523) 3.906 11.109 ( -5.210 3.218 -0.962) 6.199 11.137 ( -2.130 1.366 -0.782) 2.649 11.340 ( 4.395 3.048 2.234) 5.797 11.366 ( 7.208 4.515 -2.942) 9.000 11.761 ( -2.783 4.383 -0.885) 5.267 11.801 ( 0.993 2.259 1.399) 2.836 11.981 ( -0.988 4.359 -1.461) 4.703 12.027 ( 3.621 3.511 1.067) 5.155 12.239 ( -3.526 1.648 -1.248) 4.087 12.316 ( 3.412 0.565 -0.206) 3.465 12.413 ( -4.556 -0.242 -2.896) 5.404 12.533 ( 6.028 -0.169 3.411) 6.928 12.756 ( -6.358 2.800 -2.032) 7.238 12.893 ( 6.938 4.022 1.794) 8.218 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 2.840 -15.816 -4.085) 16.580 2.040 ( 3.527 -9.005 0.225) 9.673 2.163 ( 5.443 -9.360 -14.363) 17.987 2.383 ( 5.350 -7.098 -2.154) 9.146 2.574 ( 6.026 0.336 8.261) 10.231 2.869 ( 12.393 -1.083 8.367) 14.992 4.011 ( -10.830 6.661 4.193) 13.388 4.296 ( 2.957 4.102 2.158) 5.498 4.469 ( -5.402 4.170 1.128) 6.917 4.605 ( 3.692 7.240 -3.498) 8.847 4.779 ( -9.152 4.518 -1.888) 10.379 5.002 ( 0.499 5.972 0.303) 6.000 5.125 ( -1.991 -8.151 -13.953) 16.281 5.330 ( 0.809 -2.768 5.376) 6.100 5.581 ( -2.755 1.555 -3.597) 4.790 5.820 ( 1.278 -3.674 3.901) 5.509 5.921 ( -0.634 -0.958 -2.092) 2.386 6.174 ( 5.161 -2.671 7.348) 9.368 6.794 ( -1.188 -8.062 0.531) 8.166 6.854 ( 1.918 -8.138 -0.338) 8.367 7.563 ( -3.369 -5.032 3.732) 7.113 7.649 ( 4.586 -4.109 -4.641) 7.711 8.062 ( 0.001 -9.372 -2.202) 9.627 8.150 ( 2.760 -8.216 2.671) 9.069 8.294 ( -4.819 -7.754 -1.283) 9.219 8.438 ( 1.970 -7.863 -0.818) 8.147 8.847 ( -3.206 -1.016 -1.293) 3.603 8.915 ( -1.934 -1.816 -0.969) 2.824 9.090 ( -9.927 -0.708 2.310) 10.217 9.140 ( -4.314 -2.969 -0.466) 5.257 9.377 ( 1.935 0.324 -0.570) 2.043 9.563 ( 4.311 0.466 0.603) 4.378 9.822 ( -8.742 -1.965 2.120) 9.208 10.104 ( 1.722 -0.002 -0.049) 1.722 10.208 ( -1.928 0.563 0.967) 2.229 10.346 ( 0.014 -4.879 -0.543) 4.909 10.425 ( -1.374 0.997 -2.100) 2.700 10.624 ( 6.430 -2.654 1.186) 7.056 10.823 ( -0.800 2.320 0.735) 2.562 10.886 ( 2.356 5.325 0.337) 5.833 10.971 ( -3.152 5.746 0.060) 6.554 11.104 ( -0.082 0.254 -0.430) 0.506 11.221 ( 3.223 10.015 -2.217) 10.752 11.418 ( 9.925 1.346 0.650) 10.037 11.603 ( -4.281 7.414 -3.394) 9.209 11.731 ( 0.504 6.881 1.967) 7.175 11.862 ( -1.146 6.015 -2.024) 6.449 11.981 ( 4.668 4.267 5.897) 8.647 12.219 ( 1.095 -0.033 -3.371) 3.544 12.294 ( 0.260 3.604 -1.106) 3.779 12.416 ( -1.850 -4.500 -0.382) 4.880 12.574 ( 4.483 1.622 2.135) 5.223 12.669 ( -2.860 1.632 -0.259) 3.303 12.863 ( 4.638 4.331 0.956) 6.417 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.225 -5.172 -1.733) 5.459 2.311 ( 2.594 -18.116 -1.672) 18.377 2.351 ( 4.495 -8.887 -7.576) 12.513 2.549 ( 4.625 -5.831 -2.671) 7.907 2.677 ( 8.346 -1.509 9.851) 12.999 3.071 ( 10.506 -6.710 5.629) 13.678 3.842 ( -8.130 3.728 7.947) 11.965 4.203 ( 1.879 8.978 -1.776) 9.343 4.329 ( -1.987 5.575 -2.458) 6.408 4.421 ( -1.656 10.100 -2.951) 10.651 4.602 ( -3.749 6.199 -2.078) 7.537 4.872 ( 0.114 7.126 4.023) 8.184 5.122 ( -8.100 2.602 -4.161) 9.471 5.430 ( 2.056 -6.502 -9.137) 11.402 5.624 ( 2.751 -6.940 -6.457) 9.871 5.886 ( -4.742 -3.497 3.749) 6.983 5.988 ( 2.648 -3.581 4.270) 6.169 6.288 ( 3.179 -3.020 6.830) 8.116 6.936 ( 0.068 -6.537 0.873) 6.595 7.001 ( 1.388 -5.777 -0.423) 5.956 7.652 ( -1.894 -5.416 2.081) 6.103 7.745 ( 3.051 -3.252 -3.906) 5.928 8.191 ( 0.192 -3.597 0.052) 3.602 8.312 ( 2.647 -7.285 -2.265) 8.075 8.443 ( -3.107 -9.315 1.395) 9.919 8.583 ( -1.025 -6.528 -2.020) 6.910 8.869 ( -2.346 -4.372 -0.169) 4.965 8.923 ( -1.324 0.259 -0.392) 1.405 9.047 ( -7.411 -4.627 4.552) 9.851 9.189 ( -2.645 -5.367 -1.534) 6.177 9.434 ( 4.058 -2.922 -0.855) 5.073 9.589 ( 1.144 -1.102 0.719) 1.744 9.829 ( -5.489 -4.932 -1.216) 7.479 10.041 ( 0.634 8.760 -0.418) 8.793 10.165 ( -5.408 0.407 1.176) 5.549 10.350 ( -0.844 5.576 0.164) 5.642 10.416 ( -2.285 -2.911 -2.244) 4.328 10.641 ( 2.009 4.428 0.438) 4.882 10.734 ( 1.422 6.372 -2.522) 6.999 10.837 ( 1.538 4.062 1.619) 4.635 10.876 ( 1.395 0.716 2.512) 2.961 11.032 ( 2.170 7.167 -0.906) 7.543 11.154 ( 1.730 -0.694 0.067) 1.866 11.373 ( 2.027 6.983 -5.083) 8.872 11.483 ( -0.390 4.304 4.034) 5.912 11.613 ( 2.264 4.626 0.104) 5.152 11.754 ( -0.040 3.707 -1.176) 3.889 11.979 ( 6.059 3.591 5.229) 8.772 12.156 ( -3.149 3.967 -3.290) 6.039 12.279 ( 1.218 -1.418 0.042) 1.870 12.505 ( -0.271 -4.657 0.734) 4.722 12.568 ( 4.134 3.342 1.668) 5.572 12.630 ( -1.951 0.368 0.189) 1.994 12.831 ( 2.306 2.084 -0.777) 3.204 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.486 -0.606 -1.458) 1.652 2.472 ( 0.071 -3.789 -1.637) 4.128 2.601 ( 3.756 -5.753 -2.260) 7.232 2.682 ( 2.164 -4.611 2.944) 5.883 2.797 ( 1.948 -3.285 2.682) 4.667 3.264 ( 4.633 -3.753 1.014) 6.048 3.816 ( -2.367 -2.717 10.777) 11.364 4.038 ( -0.026 6.064 -7.140) 9.367 4.164 ( -1.310 7.711 -3.376) 8.519 4.250 ( -0.877 4.601 -0.779) 4.748 4.515 ( -0.248 1.196 -1.137) 1.669 4.782 ( 0.248 3.347 3.513) 4.858 5.001 ( -4.149 1.662 -1.716) 4.788 5.482 ( 0.578 -0.859 -3.435) 3.588 5.787 ( 3.893 -7.336 -8.241) 11.700 5.890 ( -3.885 1.091 5.249) 6.621 6.068 ( 0.338 -1.784 2.315) 2.942 6.368 ( 1.019 -1.490 3.104) 3.591 7.021 ( 0.182 -1.970 0.386) 2.015 7.094 ( 0.809 -2.662 -0.065) 2.783 7.726 ( -0.651 -2.519 0.730) 2.702 7.790 ( 0.693 -0.872 -1.785) 2.104 8.226 ( -0.165 -0.615 0.257) 0.687 8.432 ( 2.827 -2.921 -3.632) 5.451 8.542 ( -2.402 -3.239 3.113) 5.094 8.639 ( -1.377 -1.268 -0.437) 1.922 8.880 ( -1.030 1.010 -0.347) 1.483 8.993 ( -1.134 -7.370 0.270) 7.462 9.099 ( -0.078 -0.571 2.296) 2.367 9.303 ( -1.781 -7.605 -0.763) 7.848 9.508 ( 3.028 -1.032 -1.451) 3.513 9.644 ( -0.374 -3.698 0.942) 3.834 9.835 ( -0.795 8.631 -0.823) 8.706 9.893 ( -2.752 -3.994 -1.885) 5.204 10.107 ( -1.292 2.950 1.504) 3.555 10.181 ( -1.488 7.234 0.330) 7.393 10.439 ( -0.135 -2.153 -0.074) 2.159 10.567 ( -2.047 5.095 -1.534) 5.701 10.658 ( 2.838 0.906 -0.874) 3.104 10.783 ( 0.118 1.753 1.920) 2.603 10.875 ( 0.915 1.953 0.174) 2.163 10.996 ( 1.697 -0.408 0.383) 1.787 11.161 ( 0.511 0.545 -2.453) 2.565 11.290 ( 0.546 2.284 -0.314) 2.369 11.399 ( -0.562 2.905 3.610) 4.667 11.597 ( 2.188 0.710 -1.322) 2.653 11.721 ( 0.217 0.243 0.461) 0.565 11.971 ( 3.204 2.292 1.900) 4.374 12.056 ( -2.866 1.911 -2.212) 4.094 12.320 ( 0.571 -1.257 0.715) 1.555 12.518 ( 0.121 1.600 -0.094) 1.607 12.587 ( 0.996 -1.093 1.701) 2.254 12.625 ( -0.141 -0.525 -0.528) 0.758 12.816 ( 0.480 0.569 -0.711) 1.030 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.335 0.000 -12.746) 13.818 1.796 ( 10.886 0.000 -2.315) 11.130 1.993 ( 4.144 0.000 -16.983) 17.481 2.259 ( 6.920 0.000 11.318) 13.265 2.590 ( 8.210 0.000 -5.276) 9.759 2.902 ( 12.516 0.000 10.946) 16.627 4.208 ( -7.395 -0.000 -5.250) 9.069 4.278 ( -5.525 -0.000 7.821) 9.576 4.479 ( -15.987 -0.000 12.277) 20.157 4.510 ( 0.065 0.000 -16.445) 16.445 4.953 ( 4.075 0.000 -7.346) 8.401 4.989 ( 4.847 0.000 5.923) 7.654 5.222 ( -5.291 -0.000 5.787) 7.842 5.276 ( 0.756 0.000 -4.822) 4.881 5.663 ( -5.153 -0.000 4.395) 6.773 5.734 ( 1.972 0.000 -4.854) 5.239 6.000 ( -0.768 -0.000 8.600) 8.634 6.101 ( 7.717 0.000 -5.635) 9.556 6.594 ( -0.970 -0.000 -0.253) 1.002 6.635 ( 1.493 0.000 0.612) 1.613 7.442 ( -4.812 -0.000 4.351) 6.488 7.561 ( 5.165 0.000 -3.867) 6.452 7.848 ( -2.173 -0.000 2.502) 3.314 7.883 ( 1.888 0.000 -3.979) 4.404 8.209 ( -1.032 -0.000 3.481) 3.631 8.257 ( 2.967 0.000 -2.305) 3.757 8.860 ( 0.719 0.000 -10.614) 10.639 8.866 ( -8.159 -0.000 9.493) 12.517 8.985 ( -7.939 -0.000 -6.573) 10.307 9.109 ( -9.874 -0.000 4.482) 10.844 9.490 ( 2.798 0.000 2.301) 3.623 9.544 ( 3.262 0.000 0.066) 3.262 9.816 ( -11.515 -0.000 4.107) 12.225 10.003 ( -5.524 -0.000 -0.194) 5.527 10.208 ( 0.015 0.000 -1.004) 1.004 10.257 ( 1.361 0.000 -0.091) 1.364 10.456 ( 7.255 0.000 1.514) 7.411 10.474 ( 5.326 0.000 -0.298) 5.334 10.918 ( 2.326 0.000 2.869) 3.693 10.927 ( 4.960 0.000 -0.545) 4.990 11.087 ( -6.360 -0.000 -1.214) 6.474 11.135 ( 0.194 0.000 -1.731) 1.742 11.416 ( 6.721 0.000 2.684) 7.238 11.463 ( 5.252 0.000 -4.986) 7.241 11.796 ( -1.500 -0.000 2.930) 3.292 11.813 ( 0.061 0.000 -2.430) 2.431 12.044 ( 0.724 0.000 -0.992) 1.228 12.057 ( 0.496 0.000 0.303) 0.582 12.266 ( -3.708 -0.000 -2.171) 4.297 12.269 ( 1.931 0.000 -2.064) 2.826 12.432 ( 3.855 0.000 -0.105) 3.857 12.594 ( 5.727 0.000 3.811) 6.879 12.730 ( -3.910 -0.000 -2.366) 4.570 12.996 ( 5.424 0.000 1.339) 5.587 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 8.315 -7.819 -8.936) 14.496 1.928 ( 7.139 -5.429 -9.866) 13.333 2.082 ( 13.253 -5.638 -7.702) 16.333 2.366 ( 9.369 -1.192 2.715) 9.827 2.675 ( 12.812 -0.156 2.666) 13.087 3.002 ( 8.884 2.036 7.433) 11.761 4.040 ( -12.215 5.467 2.485) 13.612 4.287 ( -5.839 -2.544 1.494) 6.542 4.412 ( -9.545 -3.579 7.855) 12.869 4.608 ( -1.148 -10.059 -13.066) 16.530 4.788 ( -2.899 9.199 -6.407) 11.579 5.051 ( -1.515 2.799 -1.138) 3.380 5.102 ( 0.289 5.202 1.027) 5.310 5.347 ( 3.953 -1.474 4.586) 6.231 5.601 ( -3.794 2.778 1.335) 4.888 5.746 ( -1.476 -1.459 -2.185) 3.014 5.974 ( 3.521 2.929 2.477) 5.207 6.189 ( 5.229 -2.669 2.275) 6.296 6.648 ( -0.354 -6.042 -0.409) 6.066 6.721 ( 1.680 -6.706 0.319) 6.921 7.455 ( -3.898 -3.936 3.336) 6.467 7.614 ( 4.388 -2.200 -2.772) 5.637 7.894 ( -0.300 -6.304 -0.738) 6.354 7.988 ( 0.911 -9.566 -1.115) 9.673 8.202 ( -0.765 0.046 1.436) 1.628 8.334 ( 2.277 -4.992 -0.688) 5.530 8.804 ( -6.305 0.410 2.783) 6.904 8.850 ( -0.645 -1.294 -8.017) 8.147 8.960 ( -7.685 -4.599 -1.394) 9.064 9.031 ( -11.902 -1.195 4.054) 12.630 9.442 ( 0.691 4.295 -0.424) 4.371 9.579 ( -0.592 -0.925 -0.524) 1.217 9.747 ( -6.478 -0.206 5.572) 8.548 10.001 ( -5.889 -4.163 0.984) 7.279 10.203 ( -2.933 -2.226 -1.608) 4.018 10.299 ( 0.679 -1.817 -1.001) 2.182 10.466 ( 5.805 2.651 0.102) 6.382 10.601 ( 5.878 -4.227 1.365) 7.367 10.879 ( -0.206 3.967 0.088) 3.973 10.972 ( 2.545 1.217 1.378) 3.139 11.022 ( -1.277 2.428 -1.252) 3.016 11.129 ( 1.975 1.279 0.289) 2.371 11.409 ( 3.433 6.210 -4.734) 8.530 11.490 ( 3.544 -0.631 2.187) 4.212 11.714 ( 0.271 6.719 -2.812) 7.289 11.814 ( -0.166 1.664 0.345) 1.708 11.948 ( -2.435 5.235 -0.319) 5.783 12.101 ( 2.563 0.379 2.174) 3.382 12.221 ( 1.883 0.062 -0.623) 1.985 12.325 ( 3.184 -1.385 -2.778) 4.447 12.416 ( 4.383 5.144 0.389) 6.769 12.647 ( 4.686 0.682 2.718) 5.460 12.689 ( 0.358 1.665 -1.687) 2.397 12.994 ( 3.417 4.338 2.084) 5.902 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 7.052 -14.953 -1.406) 16.592 2.069 ( 4.916 -6.862 -6.961) 10.941 2.288 ( 12.800 -4.415 -6.477) 15.010 2.497 ( 11.398 -4.116 -4.764) 13.021 2.802 ( 10.714 1.394 10.039) 14.749 3.068 ( 5.468 -2.317 5.760) 8.273 3.866 ( -9.622 3.956 7.404) 12.769 4.281 ( -5.633 -1.135 0.184) 5.749 4.378 ( -5.600 3.911 1.452) 6.983 4.525 ( -7.538 5.574 -5.681) 10.962 4.695 ( -1.685 3.907 -3.687) 5.630 4.993 ( 0.180 3.380 -0.525) 3.426 5.053 ( 1.732 -1.723 -9.063) 9.386 5.327 ( -1.290 2.560 -2.750) 3.972 5.586 ( 3.842 -1.111 0.608) 4.045 5.751 ( -6.199 -3.831 2.307) 7.644 6.014 ( 6.622 -0.966 1.992) 6.982 6.284 ( 2.584 -2.408 6.230) 7.162 6.795 ( 1.340 -8.538 -0.199) 8.645 6.881 ( 1.129 -7.876 0.093) 7.957 7.532 ( -1.929 -5.837 1.463) 6.320 7.696 ( 2.598 -3.412 -1.904) 4.692 8.060 ( 0.796 -10.558 -1.971) 10.770 8.204 ( 0.367 -8.188 0.977) 8.254 8.229 ( -0.283 -6.619 0.424) 6.639 8.454 ( 1.646 -5.968 -2.234) 6.581 8.780 ( -5.800 -2.999 0.884) 6.589 8.862 ( -1.916 -3.288 -3.599) 5.238 8.927 ( -7.995 -0.647 1.704) 8.201 9.051 ( -5.682 -6.498 2.523) 8.993 9.403 ( -0.233 -0.917 -1.117) 1.464 9.568 ( -2.968 -0.618 -1.351) 3.319 9.733 ( -3.576 -0.880 2.751) 4.597 10.028 ( -7.034 -3.114 0.261) 7.697 10.210 ( -3.006 0.118 1.644) 3.428 10.314 ( 0.155 -1.407 -3.403) 3.686 10.440 ( 3.216 4.416 -1.005) 5.555 10.709 ( 1.949 -1.761 1.096) 2.846 10.803 ( -1.330 2.465 -0.834) 2.922 10.917 ( -0.789 5.142 1.850) 5.521 10.966 ( 3.139 4.280 -0.994) 5.400 11.112 ( 0.451 2.858 1.516) 3.267 11.295 ( 6.916 7.451 -2.851) 10.558 11.486 ( -3.806 3.343 0.890) 5.144 11.586 ( 5.815 6.304 -2.001) 8.807 11.728 ( -1.170 5.711 0.446) 5.846 11.835 ( -0.645 4.795 -1.447) 5.050 12.108 ( 3.073 2.742 3.003) 5.097 12.248 ( 4.428 3.135 2.183) 5.848 12.297 ( 1.868 3.459 -0.994) 4.054 12.426 ( 4.299 -2.671 -1.858) 5.391 12.641 ( 0.896 1.964 0.256) 2.174 12.679 ( 4.329 2.587 1.080) 5.157 12.923 ( 1.594 5.457 1.436) 5.864 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 3.581 -1.924 -1.972) 4.518 2.306 ( 0.021 -12.564 -1.708) 12.680 2.483 ( 12.203 -8.342 -5.865) 15.903 2.652 ( 7.457 -3.097 -0.357) 8.082 2.854 ( 5.843 2.374 7.460) 9.769 3.213 ( 2.623 -5.318 4.599) 7.504 3.792 ( -4.694 -0.252 12.436) 13.294 4.127 ( -5.481 7.481 -9.026) 12.941 4.291 ( -2.233 4.727 -0.350) 5.240 4.372 ( -0.699 6.232 -0.126) 6.272 4.537 ( -4.432 5.733 -1.028) 7.319 4.880 ( -2.922 6.889 -1.844) 7.707 5.015 ( 0.198 2.691 0.170) 2.703 5.367 ( -1.297 -6.815 -11.372) 13.321 5.679 ( 5.669 -5.504 -5.319) 9.525 5.816 ( -3.344 -5.225 4.408) 7.610 6.093 ( 5.394 -0.300 3.008) 6.183 6.358 ( 0.412 -1.876 5.701) 6.016 6.957 ( 1.835 -5.923 0.062) 6.201 7.018 ( 0.717 -5.826 0.038) 5.870 7.640 ( 0.161 -5.843 -0.503) 5.867 7.757 ( -0.350 -2.319 -0.265) 2.361 8.216 ( 2.584 -2.420 -0.350) 3.558 8.327 ( 1.156 -9.479 -2.446) 9.858 8.417 ( -1.840 -7.946 3.133) 8.738 8.566 ( 1.417 -5.027 -3.150) 6.099 8.810 ( -5.813 -5.207 1.898) 8.032 8.911 ( -0.685 -1.295 -0.168) 1.475 8.967 ( -2.095 -10.851 0.020) 11.051 9.142 ( -2.510 -5.730 3.239) 7.044 9.462 ( -1.472 -5.004 -0.168) 5.219 9.565 ( -2.387 -2.564 -1.498) 3.810 9.738 ( -3.629 -3.676 -2.512) 5.744 9.941 ( -8.882 4.651 -2.993) 10.463 10.174 ( 1.073 2.879 5.825) 6.586 10.314 ( -0.845 4.474 -3.357) 5.657 10.391 ( 0.025 -1.619 -1.180) 2.004 10.628 ( -2.313 8.337 0.120) 8.652 10.757 ( 0.133 1.939 0.590) 2.031 10.828 ( -1.385 3.476 -1.206) 3.931 10.947 ( 3.854 1.439 1.046) 4.245 11.027 ( -0.332 4.716 0.454) 4.750 11.243 ( 5.588 5.483 0.122) 7.829 11.363 ( 0.600 5.274 -0.962) 5.395 11.519 ( 0.392 5.995 4.843) 7.717 11.641 ( 1.889 2.947 -2.807) 4.487 11.762 ( 1.530 2.653 0.064) 3.063 12.036 ( -1.480 5.261 -3.086) 6.277 12.174 ( 4.915 6.913 5.179) 9.938 12.313 ( 2.341 -0.836 -0.386) 2.516 12.501 ( 1.660 -1.603 -2.085) 3.110 12.611 ( -0.526 1.356 0.498) 1.537 12.665 ( 4.909 2.660 1.284) 5.729 12.849 ( 0.101 2.961 0.411) 2.991 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 4.355 -0.070 0.109) 4.357 2.445 ( -1.776 -4.740 -2.542) 5.664 2.655 ( 4.639 0.296 -2.381) 5.223 2.726 ( 1.701 0.351 1.893) 2.569 2.875 ( 4.339 2.221 2.574) 5.512 3.264 ( -5.687 0.845 2.111) 6.125 3.838 ( -1.132 -0.639 3.796) 4.013 3.976 ( -2.118 0.061 -2.460) 3.247 4.147 ( 0.438 4.838 0.490) 4.883 4.266 ( 1.712 4.808 1.905) 5.448 4.475 ( -2.965 -1.875 -0.783) 3.594 4.735 ( -4.700 2.073 -4.468) 6.808 5.028 ( 5.782 -0.668 2.744) 6.435 5.420 ( -4.297 -4.245 -3.367) 6.915 5.824 ( 3.307 -5.756 -6.401) 9.222 5.867 ( -0.205 0.121 2.491) 2.503 6.129 ( 4.842 1.819 1.932) 5.522 6.380 ( -1.364 0.753 1.623) 2.250 7.031 ( 0.915 -1.120 -0.183) 1.457 7.099 ( -0.192 -1.679 -0.167) 1.698 7.730 ( 1.665 -2.646 -2.357) 3.915 7.785 ( -1.543 -1.206 2.837) 3.448 8.248 ( 2.539 0.374 0.028) 2.567 8.435 ( -2.467 -1.089 2.491) 3.671 8.539 ( 2.006 -4.878 -1.652) 5.527 8.632 ( 1.195 -2.374 -2.063) 3.365 8.880 ( -0.715 -2.490 2.799) 3.814 8.965 ( -1.033 -5.303 -1.597) 5.633 9.130 ( 2.027 -1.720 1.377) 2.994 9.279 ( -0.699 -10.119 1.634) 10.274 9.487 ( -4.923 -0.379 1.186) 5.078 9.648 ( 1.432 -6.058 -1.429) 6.387 9.729 ( -7.486 3.075 -4.559) 9.289 9.833 ( -3.615 -6.126 -2.112) 7.420 10.136 ( 2.162 4.704 2.127) 5.597 10.174 ( 0.262 4.401 1.527) 4.665 10.441 ( 0.120 -2.431 -0.210) 2.443 10.513 ( -2.926 0.309 -1.052) 3.124 10.694 ( 2.364 4.413 -1.920) 5.362 10.781 ( -1.782 1.286 2.791) 3.552 10.888 ( -0.131 3.867 2.379) 4.542 11.001 ( -0.615 1.058 -1.670) 2.071 11.176 ( 2.508 2.494 -1.225) 3.743 11.302 ( 0.057 2.636 1.193) 2.894 11.430 ( 1.544 4.823 3.659) 6.248 11.595 ( -0.575 2.110 -3.213) 3.886 11.748 ( 2.155 1.707 0.803) 2.864 11.921 ( -3.285 2.246 -4.179) 5.771 12.131 ( 5.169 3.441 5.380) 8.216 12.335 ( 0.415 0.116 -0.359) 0.561 12.490 ( -0.363 0.888 -2.683) 2.850 12.593 ( -0.851 0.564 -1.265) 1.626 12.672 ( 4.229 1.581 0.899) 4.604 12.817 ( -0.721 0.752 1.580) 1.893 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 5.131 2.140 3.405) 6.519 2.473 ( -1.097 -0.791 -3.966) 4.191 2.552 ( -0.585 10.960 3.189) 11.430 2.650 ( -0.230 8.497 1.053) 8.565 2.763 ( -0.233 11.738 -2.720) 12.051 3.091 ( -13.592 7.450 -2.419) 15.688 3.835 ( 6.525 -1.212 -7.074) 9.700 4.028 ( -4.884 -6.142 4.432) 9.013 4.211 ( 1.625 -7.003 2.406) 7.581 4.282 ( -0.514 -4.603 2.850) 5.438 4.530 ( 2.338 -5.129 2.325) 6.097 4.724 ( -2.763 -5.586 -5.294) 8.177 5.148 ( 9.820 -3.467 2.359) 10.677 5.442 ( -5.276 -2.276 1.795) 6.020 5.800 ( -0.656 6.933 7.060) 9.917 5.890 ( -0.015 -0.624 -6.338) 6.369 6.111 ( 5.710 5.344 -0.452) 7.834 6.310 ( -3.276 3.883 -3.497) 6.168 7.024 ( 1.097 2.644 -0.954) 3.017 7.074 ( -1.559 2.999 0.367) 3.400 7.740 ( 2.460 2.403 -3.760) 5.095 7.781 ( -2.726 1.473 5.279) 6.122 8.251 ( 2.941 1.926 -0.365) 3.535 8.386 ( -4.867 3.186 3.476) 6.777 8.582 ( 4.081 2.209 -1.866) 5.002 8.672 ( 1.255 0.526 -0.285) 1.390 8.917 ( 2.243 -0.486 0.811) 2.434 8.985 ( -0.960 2.861 -1.309) 3.289 9.129 ( 4.682 1.730 -1.585) 5.237 9.326 ( -1.504 5.560 1.390) 5.925 9.436 ( -4.184 1.294 2.869) 5.236 9.596 ( -5.130 2.627 -3.053) 6.522 9.840 ( 1.968 -10.074 0.208) 10.266 9.928 ( -0.213 -3.994 0.059) 4.001 10.148 ( 4.120 -4.708 -2.436) 6.714 10.211 ( 0.356 -5.927 2.813) 6.570 10.456 ( 1.534 0.623 0.602) 1.761 10.559 ( -3.825 -5.625 1.042) 6.882 10.653 ( 2.462 1.249 0.047) 2.761 10.754 ( -2.144 -1.203 -0.568) 2.523 10.860 ( -0.557 0.152 0.679) 0.891 10.940 ( -3.310 0.993 -2.369) 4.190 11.191 ( 1.593 0.383 3.633) 3.986 11.281 ( -1.592 -1.674 1.464) 2.735 11.408 ( 2.842 -1.336 -2.924) 4.291 11.539 ( -4.113 0.185 -1.032) 4.245 11.737 ( 1.849 0.673 0.926) 2.175 11.873 ( -4.179 -1.117 -3.724) 5.708 12.166 ( 4.806 -0.358 5.076) 7.000 12.310 ( -0.408 1.801 -1.540) 2.405 12.483 ( -0.712 -1.219 -2.329) 2.724 12.556 ( -2.036 1.419 -1.311) 2.806 12.677 ( 4.587 1.891 -0.245) 4.967 12.801 ( -2.505 0.314 2.179) 3.335 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 3.840 10.979 1.380) 11.713 2.254 ( -4.172 16.273 2.352) 16.963 2.402 ( 1.967 10.914 5.890) 12.557 2.489 ( -5.340 6.626 -7.664) 11.452 2.562 ( 5.395 5.217 5.219) 9.141 2.800 ( -14.568 6.700 -7.846) 17.852 3.966 ( 9.754 -5.893 -3.834) 12.024 4.113 ( -8.187 -7.239 0.920) 10.967 4.379 ( 2.505 -8.208 0.266) 8.586 4.418 ( -2.593 -9.878 2.132) 10.433 4.725 ( 6.999 -8.553 2.655) 11.366 4.831 ( -3.029 -8.634 -2.727) 9.547 5.289 ( 8.047 -0.029 2.035) 8.301 5.401 ( -4.865 3.368 2.228) 6.323 5.678 ( 2.802 7.184 9.251) 12.043 5.808 ( -5.303 3.575 -8.525) 10.657 6.050 ( 6.386 5.780 2.076) 8.860 6.175 ( -5.192 4.531 -5.670) 8.923 6.946 ( 1.896 6.334 -1.400) 6.758 6.975 ( -2.116 6.028 1.099) 6.483 7.676 ( 3.187 4.973 -4.509) 7.431 7.709 ( -4.036 4.347 5.448) 8.054 8.211 ( 2.233 5.201 0.360) 5.672 8.263 ( -3.456 6.389 0.251) 7.268 8.514 ( 4.754 8.658 0.727) 9.904 8.584 ( -2.280 8.026 0.029) 8.344 8.911 ( 2.018 2.921 0.851) 3.651 8.936 ( -0.170 0.481 -0.371) 0.631 9.155 ( 8.164 0.253 -7.149) 10.854 9.218 ( -3.046 3.357 6.162) 7.650 9.397 ( 1.604 1.504 1.273) 2.540 9.503 ( -6.899 0.508 -1.996) 7.200 9.934 ( 5.214 1.649 1.218) 5.603 10.006 ( -2.409 -3.847 -1.008) 4.649 10.267 ( 5.069 -1.461 0.986) 5.367 10.338 ( -1.898 -3.724 -1.168) 4.340 10.480 ( 2.902 0.497 2.788) 4.055 10.558 ( -4.922 -2.183 -1.514) 5.594 10.750 ( 0.759 -6.018 1.599) 6.273 10.783 ( -1.940 -3.133 -2.366) 4.379 10.883 ( 3.043 -4.332 -1.105) 5.408 10.954 ( -5.472 -7.061 1.040) 8.994 11.201 ( 5.166 1.503 0.243) 5.385 11.307 ( -6.965 -1.914 1.916) 7.472 11.509 ( 2.516 -6.633 1.596) 7.271 11.564 ( -2.015 -7.152 -3.170) 8.078 11.783 ( 2.081 -3.313 2.785) 4.802 11.858 ( -4.151 -2.802 -4.426) 6.684 12.229 ( 1.960 -0.773 4.341) 4.825 12.271 ( -0.083 0.959 -2.338) 2.529 12.484 ( -0.070 0.921 0.018) 0.924 12.516 ( -1.877 -0.108 -1.792) 2.597 12.691 ( 5.080 0.484 -0.791) 5.164 12.775 ( -4.855 -0.558 1.296) 5.056 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.058 13.912 -10.179) 17.238 1.938 ( 0.058 13.912 10.179) 17.238 2.263 ( -2.474 8.809 -15.638) 18.118 2.263 ( 2.474 8.809 15.638) 18.118 2.608 ( -7.849 0.232 -8.555) 11.612 2.608 ( 7.849 0.232 8.555) 11.612 4.176 ( -5.012 -7.411 -2.257) 9.228 4.176 ( 5.012 -7.411 2.257) 9.228 4.545 ( 3.341 -4.673 -8.344) 10.131 4.545 ( -3.341 -4.673 8.344) 10.131 4.937 ( 3.239 -5.757 -13.849) 15.343 4.937 ( -3.239 -5.757 13.849) 15.343 5.249 ( -1.614 6.657 -12.545) 14.293 5.249 ( 1.614 6.657 12.545) 14.293 5.694 ( -4.448 -0.505 -6.750) 8.100 5.694 ( 4.448 -0.505 6.750) 8.100 6.033 ( -5.179 3.010 -7.138) 9.318 6.033 ( 5.179 3.010 7.138) 9.318 6.821 ( 0.948 8.073 -2.368) 8.466 6.821 ( -0.948 8.073 2.368) 8.466 7.602 ( 4.065 4.448 -5.636) 8.250 7.602 ( -4.065 4.448 5.636) 8.250 8.093 ( -1.063 8.795 -3.535) 9.539 8.093 ( 1.063 8.795 3.535) 9.539 8.384 ( -2.938 8.355 -1.688) 9.016 8.384 ( 2.938 8.355 1.688) 9.016 8.910 ( 1.385 0.399 -7.387) 7.527 8.910 ( -1.385 0.399 7.387) 7.527 9.174 ( 2.527 1.276 -8.293) 8.763 9.174 ( -2.527 1.276 8.293) 8.763 9.438 ( -7.272 -0.672 -2.175) 7.620 9.438 ( 7.272 -0.672 2.175) 7.620 9.982 ( -6.754 -0.368 -1.757) 6.989 9.982 ( 6.754 -0.368 1.757) 6.989 10.288 ( -1.168 3.106 -4.665) 5.725 10.288 ( 1.168 3.106 4.665) 5.725 10.508 ( -3.508 2.208 -3.566) 5.468 10.508 ( 3.508 2.208 3.566) 5.468 10.840 ( 0.111 -3.239 -0.928) 3.371 10.840 ( -0.111 -3.239 0.928) 3.371 11.064 ( -0.773 -7.304 -2.442) 7.740 11.064 ( 0.773 -7.304 2.442) 7.740 11.254 ( -2.285 -1.700 -3.023) 4.153 11.254 ( 2.285 -1.700 3.023) 4.153 11.685 ( -0.885 -7.124 -5.108) 8.811 11.685 ( 0.885 -7.124 5.108) 8.811 11.902 ( -1.807 -5.703 -3.316) 6.840 11.902 ( 1.807 -5.703 3.316) 6.840 12.256 ( -1.678 -0.530 -2.852) 3.352 12.256 ( 1.678 -0.530 2.852) 3.352 12.485 ( -4.371 0.748 -2.155) 4.930 12.485 ( 4.371 0.748 2.155) 4.930 12.758 ( -5.937 -2.742 -0.935) 6.607 12.758 ( 5.937 -2.742 0.935) 6.607 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 12.558 0.000 -11.408) 16.966 1.913 ( 8.929 0.000 -12.958) 15.736 2.145 ( 18.144 0.000 -2.879) 18.371 2.470 ( 10.917 0.000 6.183) 12.546 2.805 ( 17.984 0.000 -3.243) 18.274 3.107 ( 4.664 0.000 4.975) 6.819 3.997 ( -12.928 -0.000 -1.405) 13.004 4.165 ( -12.711 -0.000 7.027) 14.524 4.321 ( -7.924 -0.000 8.018) 11.273 4.454 ( 3.801 0.000 -15.652) 16.107 4.855 ( -8.547 -0.000 -8.162) 11.818 4.946 ( -9.555 -0.000 -0.158) 9.556 5.313 ( 5.454 0.000 16.692) 17.561 5.320 ( 7.585 0.000 -7.549) 10.701 5.624 ( -2.699 -0.000 7.120) 7.614 5.716 ( -0.153 -0.000 -6.269) 6.271 6.059 ( 0.368 0.000 10.231) 10.238 6.185 ( 6.363 0.000 -7.988) 10.212 6.584 ( 0.544 0.000 -0.792) 0.961 6.668 ( 1.511 0.000 0.874) 1.745 7.390 ( -3.300 -0.000 2.667) 4.244 7.625 ( 2.943 0.000 -0.271) 2.955 7.830 ( -1.597 -0.000 2.802) 3.225 7.886 ( 2.362 0.000 -6.838) 7.235 8.231 ( 0.843 0.000 4.250) 4.333 8.290 ( 2.081 0.000 -1.765) 2.728 8.779 ( -6.263 -0.000 6.697) 9.169 8.791 ( -5.262 -0.000 -9.388) 10.762 8.846 ( -0.357 -0.000 -4.599) 4.613 8.921 ( -13.483 -0.000 4.347) 14.166 9.501 ( -2.476 -0.000 -1.701) 3.004 9.509 ( -6.907 -0.000 -0.738) 6.946 9.728 ( -2.329 -0.000 6.017) 6.452 9.920 ( -4.029 -0.000 2.491) 4.737 10.146 ( -3.652 -0.000 -3.904) 5.346 10.253 ( -1.323 -0.000 0.164) 1.333 10.561 ( 4.911 0.000 -1.957) 5.287 10.613 ( 7.131 0.000 1.259) 7.241 10.921 ( -2.987 -0.000 2.833) 4.117 11.001 ( 2.288 0.000 0.191) 2.296 11.048 ( 1.589 0.000 -0.306) 1.619 11.163 ( 3.736 0.000 -0.541) 3.775 11.481 ( -1.504 -0.000 2.208) 2.671 11.482 ( 1.802 0.000 -5.968) 6.234 11.800 ( 1.195 0.000 -5.658) 5.783 11.817 ( 1.051 0.000 1.970) 2.232 12.010 ( -4.660 -0.000 -0.570) 4.695 12.032 ( -1.653 -0.000 0.974) 1.918 12.273 ( 4.755 0.000 3.041) 5.644 12.366 ( 9.566 0.000 -3.906) 10.333 12.546 ( 7.464 0.000 3.625) 8.297 12.691 ( 3.163 0.000 2.429) 3.988 12.719 ( 4.105 0.000 -2.337) 4.724 13.069 ( 2.086 0.000 2.341) 3.135 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 12.168 -6.973 -6.104) 15.295 2.000 ( 8.904 -4.250 -9.522) 13.712 2.329 ( 16.020 -2.779 -2.889) 16.514 2.570 ( 12.364 0.374 -0.534) 12.381 2.954 ( 15.714 0.684 1.879) 15.841 3.112 ( 0.957 1.934 4.580) 5.063 3.858 ( -10.625 2.323 5.270) 12.086 4.139 ( -10.620 -5.145 1.468) 11.892 4.320 ( -6.230 -3.242 7.015) 9.926 4.519 ( -1.673 -2.721 -13.654) 14.023 4.627 ( -5.829 3.762 -8.404) 10.897 4.944 ( -9.034 -4.271 -1.904) 10.172 5.211 ( 8.356 10.404 0.059) 13.345 5.422 ( 1.179 3.966 3.103) 5.172 5.612 ( 1.675 -0.098 8.896) 9.053 5.691 ( -1.805 0.786 -4.319) 4.746 6.066 ( 4.314 0.684 3.650) 5.692 6.262 ( 2.380 -3.478 -0.220) 4.220 6.659 ( 2.005 -6.557 -0.658) 6.889 6.746 ( 0.825 -6.382 0.358) 6.445 7.419 ( -1.532 -4.378 1.382) 4.840 7.656 ( 0.255 -1.910 0.716) 2.056 7.888 ( -0.281 -6.274 -0.527) 6.302 7.984 ( 1.075 -9.586 -3.587) 10.291 8.231 ( 2.282 0.769 2.565) 3.519 8.365 ( 2.126 -4.931 -0.585) 5.402 8.682 ( -7.871 0.589 -1.250) 7.991 8.803 ( -4.602 -1.048 0.623) 4.761 8.848 ( -4.835 -2.644 -2.003) 5.864 8.880 ( -3.402 -5.621 1.697) 6.786 9.396 ( -4.857 2.265 -0.765) 5.413 9.498 ( -6.178 -1.907 -2.168) 6.820 9.725 ( -1.340 0.643 4.197) 4.453 9.924 ( -4.112 -2.290 1.846) 5.056 10.127 ( -3.274 -2.396 -2.169) 4.601 10.272 ( -2.423 -2.454 -1.034) 3.600 10.561 ( 4.692 3.151 -1.544) 5.859 10.681 ( 2.547 -1.989 -1.175) 3.439 10.858 ( -0.928 4.528 1.798) 4.960 10.979 ( -2.262 2.697 1.934) 4.017 11.061 ( 3.660 1.319 -0.754) 3.963 11.178 ( 2.404 1.987 0.158) 3.123 11.433 ( 2.699 3.271 -3.010) 5.201 11.490 ( -1.197 0.118 2.345) 2.636 11.732 ( 2.331 5.162 -6.317) 8.484 11.799 ( -1.761 3.135 0.765) 3.676 11.909 ( -1.565 4.001 0.464) 4.321 12.085 ( -3.125 -3.943 -0.672) 5.076 12.320 ( 5.880 1.493 4.627) 7.630 12.424 ( 8.496 1.670 -2.958) 9.150 12.537 ( 7.176 6.678 3.040) 10.263 12.701 ( 2.309 2.286 -0.152) 3.253 12.755 ( 6.103 1.072 0.124) 6.197 13.044 ( 0.834 4.626 2.620) 5.381 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.893 -10.854 -1.861) 12.490 2.135 ( 5.613 -4.172 -3.761) 7.941 2.483 ( 13.577 -2.933 -6.082) 15.164 2.684 ( 10.343 -1.622 -2.542) 10.774 2.993 ( 5.509 4.448 6.071) 9.327 3.166 ( 2.669 -2.870 6.102) 7.252 3.785 ( -5.568 0.256 10.823) 12.174 4.124 ( -8.890 -0.023 -6.388) 10.947 4.306 ( -3.413 1.579 0.851) 3.855 4.381 ( -6.365 0.209 -1.541) 6.552 4.630 ( -1.132 2.155 -4.825) 5.404 4.906 ( -7.768 0.726 -2.493) 8.190 5.124 ( 8.567 5.033 -6.393) 11.815 5.293 ( -1.044 5.406 -1.321) 5.662 5.637 ( 1.133 -0.919 -2.481) 2.878 5.726 ( 1.053 -4.090 5.970) 7.313 6.136 ( 6.340 -1.371 1.169) 6.591 6.331 ( -0.681 -2.525 4.074) 4.842 6.834 ( 2.976 -8.798 -0.633) 9.309 6.892 ( 0.060 -7.717 0.506) 7.734 7.523 ( 0.837 -6.389 -0.419) 6.458 7.697 ( -2.498 -2.855 1.047) 3.936 8.061 ( 1.427 -12.091 -2.473) 12.423 8.193 ( -0.004 -10.079 -0.668) 10.102 8.278 ( 2.692 -3.369 2.592) 5.032 8.488 ( 4.156 -5.084 -2.922) 7.188 8.630 ( -11.366 -4.585 1.972) 12.414 8.774 ( -5.764 -2.647 0.502) 6.362 8.907 ( 4.036 -3.491 -3.222) 6.234 9.002 ( -2.570 -8.095 5.063) 9.887 9.356 ( -3.971 -2.327 0.386) 4.618 9.476 ( -5.198 -2.458 -4.228) 7.137 9.700 ( -1.949 1.253 1.936) 3.019 9.899 ( -7.305 0.723 -1.210) 7.440 10.162 ( -2.238 -3.388 1.830) 4.453 10.281 ( -2.195 -1.836 -2.688) 3.926 10.509 ( 4.975 6.444 -2.178) 8.427 10.709 ( -2.011 0.576 -1.605) 2.637 10.782 ( -0.980 2.557 3.026) 4.081 10.877 ( -2.859 5.383 1.182) 6.208 11.039 ( 4.050 3.788 -1.252) 5.685 11.126 ( 0.664 4.311 -0.141) 4.364 11.401 ( 5.490 4.249 -0.136) 6.943 11.463 ( 0.094 3.693 4.003) 5.448 11.622 ( 0.108 5.240 -4.082) 6.643 11.712 ( -1.379 3.691 -0.348) 3.955 11.843 ( 2.586 3.720 1.305) 4.715 12.091 ( -2.850 1.105 -1.879) 3.588 12.321 ( 2.667 3.024 0.416) 4.054 12.397 ( 4.850 6.797 4.596) 9.531 12.531 ( 8.228 1.233 -2.909) 8.813 12.658 ( 1.282 3.525 0.563) 3.792 12.764 ( 4.604 2.861 0.625) 5.457 12.940 ( -0.591 6.290 1.586) 6.514 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.673 -2.408 -2.241) 4.930 2.293 ( -1.034 -8.350 -0.410) 8.423 2.665 ( 11.269 -4.967 -4.063) 12.968 2.757 ( 4.284 0.067 -0.101) 4.286 2.986 ( 5.948 3.430 3.747) 7.822 3.220 ( -4.989 -0.970 4.879) 7.045 3.814 ( -2.438 -2.245 13.628) 14.025 3.975 ( -3.936 3.728 -11.284) 12.519 4.254 ( -1.294 3.991 0.716) 4.256 4.354 ( -3.993 -1.138 0.077) 4.153 4.489 ( 1.879 8.828 1.110) 9.093 4.754 ( -7.077 6.208 -5.734) 11.023 5.095 ( 5.508 2.032 2.161) 6.256 5.277 ( -2.539 -4.315 -6.523) 8.223 5.723 ( 3.101 -5.834 -1.644) 6.809 5.823 ( 0.316 -4.092 -0.320) 4.117 6.207 ( 6.523 0.222 0.756) 6.571 6.368 ( -2.541 -1.221 3.733) 4.678 6.989 ( 1.889 -4.784 -0.642) 5.183 7.027 ( -0.085 -5.804 0.521) 5.828 7.654 ( 2.503 -5.883 -2.539) 6.879 7.732 ( -3.189 -3.132 2.772) 5.260 8.268 ( 4.253 -2.134 -2.201) 5.243 8.335 ( 0.657 -9.743 0.043) 9.766 8.420 ( -0.127 -6.934 3.704) 7.863 8.568 ( -1.567 -4.079 -1.960) 4.789 8.714 ( -2.812 -9.580 -0.828) 10.018 8.843 ( -5.011 -8.808 -0.115) 10.134 9.027 ( 5.838 -5.559 1.117) 8.139 9.149 ( -0.089 -6.827 4.755) 8.320 9.393 ( -5.128 -4.028 2.177) 6.875 9.505 ( -2.129 -6.360 -6.985) 9.684 9.678 ( -2.212 -1.218 -0.264) 2.540 9.768 ( -7.982 4.165 -2.437) 9.327 10.202 ( -0.541 -0.578 4.166) 4.240 10.285 ( -1.589 1.156 -2.523) 3.198 10.417 ( 4.599 4.268 -2.785) 6.865 10.568 ( -4.957 8.057 1.464) 9.573 10.758 ( -0.101 1.226 2.010) 2.356 10.798 ( -0.986 1.644 -1.495) 2.431 10.997 ( 1.495 4.128 0.970) 4.496 11.038 ( 0.597 4.647 -0.243) 4.692 11.316 ( 4.056 8.083 -2.041) 9.271 11.381 ( -0.326 5.469 2.820) 6.162 11.549 ( 0.889 3.231 3.048) 4.530 11.636 ( -0.583 3.194 -2.869) 4.333 11.818 ( 4.107 2.938 1.847) 5.377 11.978 ( -2.642 6.291 -3.043) 7.471 12.268 ( 2.557 4.851 3.555) 6.535 12.344 ( 1.072 1.904 -0.901) 2.363 12.541 ( 4.007 3.216 -2.707) 5.807 12.609 ( -0.327 2.305 0.694) 2.429 12.748 ( 4.206 2.423 0.149) 4.856 12.844 ( -1.463 2.841 1.487) 3.525 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 4.789 -1.989 1.387) 5.368 2.381 ( -3.830 -4.093 -2.463) 6.123 2.748 ( 5.841 4.052 0.242) 7.113 2.776 ( 2.303 2.504 0.478) 3.435 2.950 ( 4.853 6.661 -0.559) 8.261 3.106 ( -12.346 6.240 1.471) 13.911 3.854 ( 3.896 -0.390 -3.165) 5.035 3.922 ( -5.416 -2.160 3.966) 7.052 4.192 ( 4.266 1.945 0.207) 4.693 4.270 ( -4.055 3.570 2.081) 5.790 4.477 ( 4.366 -2.571 1.728) 5.353 4.604 ( -6.493 -0.241 -5.243) 8.349 5.175 ( 8.087 -2.837 2.844) 9.029 5.315 ( -6.064 -4.623 -2.492) 8.022 5.837 ( 1.399 -3.035 0.256) 3.351 5.869 ( -0.582 -1.209 -2.300) 2.662 6.242 ( 6.527 2.576 0.498) 7.034 6.338 ( -4.242 2.229 0.465) 4.814 7.053 ( 1.666 -0.728 -0.060) 1.819 7.083 ( -1.481 -0.819 -0.248) 1.711 7.751 ( 3.018 -2.410 -4.695) 6.079 7.772 ( -2.775 -1.900 5.252) 6.237 8.308 ( 4.609 0.609 -1.211) 4.804 8.382 ( -5.107 0.235 3.018) 5.937 8.586 ( 3.664 -5.085 -0.757) 6.313 8.633 ( -0.828 -3.904 -1.353) 4.214 8.885 ( 1.233 -7.164 1.009) 7.339 8.933 ( -2.458 -4.099 -0.885) 4.861 9.192 ( 4.754 -2.696 0.307) 5.474 9.278 ( -3.820 -5.941 2.547) 7.509 9.429 ( 1.108 -2.177 2.542) 3.526 9.553 ( -7.826 -1.388 -5.391) 9.604 9.690 ( 2.864 -5.605 0.083) 6.295 9.754 ( -3.881 -7.615 -1.443) 8.668 10.174 ( 2.224 4.224 -1.077) 4.893 10.194 ( -0.806 3.339 2.778) 4.418 10.441 ( 1.077 -2.398 -1.948) 3.272 10.463 ( -2.591 -1.591 1.297) 3.306 10.727 ( 3.076 3.159 -2.920) 5.289 10.759 ( -2.851 1.787 3.570) 4.905 10.909 ( 0.664 4.705 3.811) 6.091 10.958 ( -2.028 3.767 -3.733) 5.678 11.232 ( 4.367 3.058 -1.539) 5.549 11.288 ( -2.962 3.052 2.053) 4.722 11.489 ( 2.465 5.411 3.605) 6.954 11.550 ( -1.933 4.017 -3.734) 5.815 11.796 ( 2.523 2.811 1.439) 4.042 11.851 ( -2.486 2.977 -2.748) 4.754 12.238 ( 3.639 2.144 4.447) 6.133 12.311 ( -2.244 0.888 -2.417) 3.415 12.504 ( 3.128 2.251 -1.512) 4.140 12.556 ( -2.665 1.767 -0.517) 3.239 12.749 ( 4.470 1.593 -1.343) 4.932 12.801 ( -2.761 1.127 2.458) 3.865 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -5.037 1.369 -6.229) 8.127 2.363 ( 5.037 1.369 6.229) 8.127 2.635 ( -3.222 11.515 -0.835) 11.987 2.635 ( 3.222 11.515 0.835) 11.987 2.833 ( -10.407 10.475 -2.339) 14.950 2.833 ( 10.407 10.475 2.339) 14.950 3.937 ( 4.651 -4.238 -9.338) 11.260 3.937 ( -4.651 -4.238 9.338) 11.260 4.254 ( -0.262 -4.972 -1.384) 5.167 4.254 ( 0.262 -4.972 1.384) 5.167 4.626 ( 3.682 -7.487 -17.458) 19.350 4.626 ( -3.682 -7.487 17.458) 19.350 5.325 ( -7.053 -3.602 -1.716) 8.103 5.325 ( 7.053 -3.602 1.716) 8.103 5.840 ( -0.523 3.587 -6.123) 7.115 5.840 ( 0.523 3.587 6.123) 7.115 6.218 ( -2.507 5.388 -4.539) 7.477 6.218 ( 2.507 5.388 4.539) 7.477 7.047 ( 0.912 2.894 -1.993) 3.630 7.047 ( -0.912 2.894 1.993) 3.630 7.762 ( 3.259 2.221 -6.079) 7.246 7.762 ( -3.259 2.221 6.079) 7.246 8.315 ( 0.191 2.778 -1.720) 3.273 8.315 ( -0.191 2.778 1.720) 3.273 8.649 ( -2.508 1.250 -0.769) 2.906 8.649 ( 2.508 1.250 0.769) 2.906 8.958 ( 0.276 0.296 -2.385) 2.419 8.958 ( -0.276 0.296 2.385) 2.419 9.231 ( -2.529 2.343 -1.916) 3.944 9.231 ( 2.529 2.343 1.916) 3.944 9.476 ( -3.106 2.392 -5.615) 6.849 9.476 ( 3.106 2.392 5.615) 6.849 9.894 ( -1.882 -8.741 -1.964) 9.154 9.894 ( 1.882 -8.741 1.964) 9.154 10.202 ( 3.359 -5.572 -6.253) 9.024 10.202 ( -3.359 -5.572 6.253) 9.024 10.497 ( -1.065 -1.627 -1.560) 2.493 10.497 ( 1.065 -1.627 1.560) 2.493 10.706 ( -0.551 -0.098 -1.981) 2.059 10.706 ( 0.551 -0.098 1.981) 2.059 10.878 ( -1.756 1.009 -2.120) 2.932 10.878 ( 1.756 1.009 2.120) 2.932 11.245 ( 1.393 -0.567 -6.167) 6.348 11.245 ( -1.393 -0.567 6.167) 6.348 11.461 ( 0.365 0.085 -5.008) 5.022 11.461 ( -0.365 0.085 5.008) 5.022 11.792 ( -2.942 0.330 -2.710) 4.013 11.792 ( 2.942 0.330 2.710) 4.013 12.262 ( -2.714 0.501 -4.203) 5.028 12.262 ( 2.714 0.501 4.203) 5.028 12.504 ( -0.456 0.746 -2.475) 2.625 12.504 ( 0.456 0.746 2.475) 2.625 12.752 ( 3.390 1.458 -1.757) 4.087 12.752 ( -3.390 1.458 1.757) 4.087 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 14.321 0.000 -6.375) 15.676 2.013 ( 9.764 0.000 -8.075) 12.671 2.436 ( 14.497 0.000 -1.709) 14.597 2.662 ( 7.042 0.000 -0.351) 7.051 3.104 ( 16.423 0.000 -2.605) 16.628 3.156 ( 0.756 0.000 3.940) 4.012 3.804 ( -8.211 -0.000 2.601) 8.613 3.992 ( -10.807 -0.000 6.237) 12.477 4.268 ( -3.814 -0.000 6.463) 7.504 4.430 ( 3.084 0.000 -14.536) 14.860 4.637 ( -9.608 -0.000 -6.494) 11.596 4.753 ( -11.171 -0.000 -1.323) 11.249 5.406 ( 7.723 0.000 -9.024) 11.878 5.480 ( 0.903 0.000 14.537) 14.565 5.663 ( -0.159 -0.000 13.060) 13.061 5.673 ( 1.413 0.000 -9.436) 9.541 6.122 ( -0.683 -0.000 11.439) 11.460 6.221 ( 4.376 0.000 -10.594) 11.462 6.608 ( 2.408 0.000 -0.379) 2.438 6.687 ( 0.105 0.000 0.261) 0.281 7.372 ( 0.238 0.000 1.148) 1.172 7.624 ( -3.978 -0.000 1.444) 4.232 7.832 ( -0.059 -0.000 2.985) 2.985 7.893 ( 3.079 0.000 -6.997) 7.644 8.285 ( 2.366 0.000 4.023) 4.667 8.317 ( 2.663 0.000 -1.302) 2.964 8.646 ( -5.360 -0.000 -4.958) 7.301 8.712 ( -12.000 -0.000 7.099) 13.943 8.766 ( -0.553 -0.000 1.845) 1.926 8.841 ( 2.017 0.000 -5.581) 5.934 9.374 ( -8.063 -0.000 2.673) 8.495 9.405 ( -5.143 -0.000 -4.994) 7.169 9.742 ( -0.022 -0.000 3.658) 3.658 9.884 ( -2.491 -0.000 1.397) 2.856 10.078 ( -1.177 -0.000 -2.309) 2.592 10.218 ( -2.780 -0.000 -0.117) 2.783 10.617 ( 3.270 0.000 -2.942) 4.399 10.667 ( 0.036 0.000 -2.024) 2.024 10.927 ( 1.053 0.000 3.192) 3.362 10.995 ( -2.790 -0.000 1.448) 3.143 11.074 ( 1.578 0.000 0.520) 1.662 11.220 ( 1.913 0.000 -1.307) 2.317 11.471 ( -0.445 -0.000 4.262) 4.285 11.497 ( 3.818 0.000 -2.996) 4.853 11.771 ( 0.669 0.000 -10.935) 10.955 11.814 ( -2.929 -0.000 2.305) 3.727 11.941 ( -1.714 -0.000 -0.781) 1.884 12.005 ( -2.527 -0.000 2.452) 3.521 12.412 ( 6.301 0.000 6.202) 8.841 12.499 ( 7.963 0.000 -4.648) 9.221 12.667 ( 3.511 0.000 2.025) 4.053 12.733 ( 0.747 0.000 0.553) 0.930 12.849 ( 10.199 0.000 0.940) 10.242 13.102 ( 0.018 0.000 2.763) 2.763 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 10.205 -3.863 -2.674) 11.234 2.106 ( 6.750 -3.020 -4.252) 8.530 2.538 ( 10.175 -0.859 -4.290) 11.076 2.711 ( 2.779 -1.788 -2.027) 3.876 3.138 ( 4.566 4.375 3.983) 7.473 3.205 ( 6.871 0.987 1.914) 7.200 3.771 ( -3.225 -0.476 8.074) 8.707 3.977 ( -7.884 -4.409 -2.091) 9.272 4.275 ( -3.881 -1.478 7.220) 8.330 4.370 ( -4.649 4.301 -9.755) 11.630 4.562 ( 1.982 -4.277 -6.824) 8.294 4.755 ( -10.254 -6.260 -2.203) 12.214 5.336 ( 7.082 9.414 -3.345) 12.246 5.438 ( -1.351 7.392 3.721) 8.386 5.648 ( 2.340 1.448 -5.684) 6.316 5.709 ( -0.591 -1.142 9.806) 9.890 6.157 ( 3.437 -1.521 4.293) 5.705 6.271 ( -0.150 -3.537 -2.512) 4.341 6.700 ( 2.680 -6.895 -0.515) 7.416 6.750 ( -0.536 -6.385 0.300) 6.415 7.430 ( 2.434 -4.339 0.193) 4.979 7.611 ( -5.824 -2.705 1.137) 6.522 7.895 ( 1.915 -5.922 0.001) 6.224 7.984 ( 0.195 -8.706 -2.644) 9.101 8.297 ( 3.604 0.500 1.568) 3.962 8.406 ( 2.050 -5.029 0.113) 5.432 8.548 ( -5.675 2.131 0.177) 6.065 8.675 ( -7.627 -2.600 0.769) 8.095 8.841 ( 1.540 -5.588 0.964) 5.876 8.873 ( 1.070 -3.741 -1.835) 4.302 9.309 ( -4.554 0.361 1.928) 4.959 9.371 ( -5.607 -1.929 -3.982) 7.143 9.736 ( 0.393 1.859 2.911) 3.476 9.858 ( -4.129 0.515 -0.905) 4.258 10.096 ( 0.554 -2.427 0.467) 2.533 10.211 ( -3.577 -1.885 -1.494) 4.311 10.607 ( 2.346 1.996 -1.996) 3.671 10.675 ( -0.980 -1.151 -2.646) 3.047 10.882 ( 1.256 5.308 2.585) 6.037 10.943 ( -2.525 3.073 1.638) 4.301 11.103 ( 1.924 0.259 0.518) 2.010 11.193 ( -0.410 2.692 -1.710) 3.215 11.475 ( 1.946 0.947 4.485) 4.980 11.533 ( 3.775 0.373 0.717) 3.861 11.691 ( -0.336 4.317 -9.626) 10.555 11.757 ( -4.124 3.261 1.618) 5.501 11.920 ( 2.303 1.356 0.327) 2.692 12.027 ( -3.285 -2.879 0.332) 4.381 12.436 ( 4.380 4.091 4.388) 7.428 12.525 ( 4.046 2.666 -3.420) 5.930 12.646 ( 3.963 3.732 1.785) 5.729 12.729 ( 0.652 1.558 -0.647) 1.809 12.889 ( 8.088 4.432 1.048) 9.282 13.054 ( -1.462 5.151 2.020) 5.722 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.413 -5.528 -0.606) 6.525 2.183 ( 1.165 -2.995 -1.781) 3.674 2.661 ( 9.233 -3.925 -1.952) 10.221 2.756 ( -0.795 -2.300 -1.884) 3.078 3.115 ( 6.350 3.617 1.987) 7.574 3.201 ( -2.969 1.665 3.616) 4.966 3.811 ( 0.310 -1.182 12.860) 12.918 3.939 ( -5.592 0.017 -11.598) 12.875 4.272 ( -0.061 0.256 -1.679) 1.700 4.292 ( -3.968 -0.769 2.330) 4.665 4.633 ( 3.925 0.627 -1.008) 4.101 4.747 ( -7.959 -0.472 -2.554) 8.372 5.217 ( 6.247 6.605 -6.054) 10.923 5.267 ( -3.139 7.060 3.705) 8.569 5.673 ( 4.955 -2.367 -1.754) 5.765 5.745 ( -3.082 -2.717 2.381) 4.749 6.244 ( 5.383 -1.999 0.134) 5.744 6.314 ( -3.239 -2.574 1.878) 4.544 6.875 ( 2.306 -8.450 -1.711) 8.925 6.892 ( -0.951 -8.079 1.716) 8.314 7.558 ( 3.800 -5.952 -1.480) 7.215 7.631 ( -5.340 -4.222 1.777) 7.036 8.103 ( 4.733 -12.725 -1.484) 13.658 8.174 ( -2.837 -11.932 0.160) 12.265 8.342 ( 4.061 -1.732 0.103) 4.417 8.442 ( -8.889 -2.008 2.487) 9.446 8.580 ( 6.225 -5.199 -2.286) 8.426 8.680 ( -5.853 -4.250 0.670) 7.264 8.970 ( 4.335 -6.171 -2.641) 7.990 9.002 ( -1.645 -8.281 4.242) 9.449 9.309 ( -1.632 -2.409 3.464) 4.524 9.360 ( -3.906 -3.268 -5.670) 7.621 9.703 ( 1.222 2.931 2.321) 3.934 9.775 ( -5.293 3.232 -2.406) 6.652 10.166 ( 0.904 -3.266 2.830) 4.415 10.218 ( -2.672 -2.641 -3.080) 4.858 10.572 ( 4.306 4.581 -2.657) 6.825 10.639 ( -4.692 3.000 0.732) 5.617 10.810 ( 1.423 3.898 3.049) 5.149 10.847 ( -1.286 4.750 -0.923) 5.007 11.085 ( 2.141 3.214 0.408) 3.883 11.121 ( -1.064 3.635 -1.186) 3.969 11.472 ( 2.398 4.242 2.736) 5.589 11.508 ( 0.230 5.995 1.929) 6.302 11.597 ( 2.743 2.031 -5.362) 6.356 11.659 ( -4.454 2.487 0.680) 5.146 11.927 ( 4.777 2.218 2.376) 5.778 12.018 ( -4.031 1.086 -2.227) 4.731 12.381 ( 3.103 5.279 2.139) 6.486 12.434 ( -1.085 6.005 -1.025) 6.188 12.637 ( 5.100 2.757 -1.744) 6.054 12.678 ( -0.609 3.754 1.259) 4.006 12.850 ( 4.812 5.022 0.456) 6.971 12.918 ( -2.881 6.415 0.746) 7.071 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.970 -4.706 -1.516) 5.038 2.261 ( -0.970 -4.706 1.516) 5.038 2.780 ( 1.167 -2.245 -3.059) 3.970 2.780 ( -1.167 -2.245 3.059) 3.970 3.114 ( -5.688 3.593 0.574) 6.752 3.114 ( 5.688 3.593 -0.574) 6.752 3.870 ( 1.046 -0.281 -14.125) 14.166 3.870 ( -1.046 -0.281 14.125) 14.166 4.275 ( 1.036 0.844 -6.166) 6.309 4.275 ( -1.036 0.844 6.166) 6.309 4.595 ( -2.766 6.761 -8.997) 11.589 4.595 ( 2.766 6.761 8.997) 11.589 5.196 ( 1.830 -1.085 -10.930) 11.135 5.196 ( -1.830 -1.085 10.930) 11.135 5.785 ( 1.781 -4.465 -9.293) 10.463 5.785 ( -1.781 -4.465 9.293) 10.463 6.313 ( -0.621 -0.475 -1.503) 1.694 6.313 ( 0.621 -0.475 1.503) 1.694 7.016 ( 0.717 -4.949 -1.852) 5.333 7.016 ( -0.717 -4.949 1.852) 5.333 7.690 ( 3.147 -4.967 -4.996) 7.716 7.690 ( -3.147 -4.967 4.996) 7.716 8.326 ( 2.257 -3.832 -4.472) 6.307 8.326 ( -2.257 -3.832 4.472) 6.307 8.474 ( -3.478 -9.020 -3.194) 10.182 8.474 ( 3.478 -9.020 3.194) 10.182 8.752 ( 2.095 -8.336 -2.685) 9.005 8.752 ( -2.095 -8.336 2.685) 9.005 9.129 ( -2.559 -6.619 -1.397) 7.233 9.129 ( 2.559 -6.619 1.397) 7.233 9.403 ( -3.280 -5.353 -6.672) 9.162 9.403 ( 3.280 -5.353 6.672) 9.162 9.672 ( -1.165 1.725 -2.092) 2.951 9.672 ( 1.165 1.725 2.092) 2.951 10.234 ( -0.426 -0.878 -5.048) 5.141 10.234 ( 0.426 -0.878 5.048) 5.141 10.490 ( 2.909 6.552 -3.989) 8.203 10.490 ( -2.909 6.552 3.989) 8.203 10.776 ( 1.077 1.583 -5.030) 5.382 10.776 ( -1.077 1.583 5.030) 5.382 11.026 ( 0.073 4.921 -3.043) 5.787 11.026 ( -0.073 4.921 3.043) 5.787 11.366 ( 2.833 7.230 -5.276) 9.388 11.366 ( -2.833 7.230 5.276) 9.388 11.594 ( 0.064 2.199 -5.198) 5.644 11.594 ( -0.064 2.199 5.198) 5.644 11.905 ( -2.322 5.088 -4.241) 7.018 11.905 ( 2.322 5.088 4.241) 7.018 12.324 ( -0.737 3.425 -3.685) 5.084 12.324 ( 0.737 3.425 3.685) 5.084 12.591 ( 2.036 4.203 -4.357) 6.387 12.591 ( -2.036 4.203 4.357) 6.387 12.811 ( 0.994 2.383 -1.680) 3.080 12.811 ( -0.994 2.383 1.680) 3.080 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 9.078 0.000 -1.561) 9.211 2.114 ( 3.537 0.000 -2.062) 4.095 2.588 ( 5.941 0.000 -2.984) 6.649 2.669 ( -3.809 -0.000 -1.508) 4.097 3.240 ( 4.911 0.000 3.580) 6.077 3.278 ( 4.015 0.000 -1.085) 4.159 3.774 ( 2.564 0.000 2.007) 3.256 3.867 ( -7.393 -0.000 3.123) 8.026 4.269 ( -0.634 -0.000 7.818) 7.843 4.350 ( -2.609 -0.000 -11.809) 12.094 4.522 ( 0.391 0.000 -3.345) 3.368 4.581 ( -7.283 -0.000 -0.010) 7.283 5.478 ( 6.865 0.000 -9.294) 11.554 5.518 ( -4.226 -0.000 10.596) 11.408 5.675 ( 6.583 0.000 -12.751) 14.350 5.711 ( -5.349 -0.000 14.709) 15.651 6.174 ( -1.630 -0.000 12.780) 12.883 6.213 ( 2.797 0.000 -12.466) 12.776 6.649 ( 2.075 0.000 0.134) 2.079 6.677 ( -1.058 -0.000 -0.241) 1.085 7.419 ( 4.621 0.000 0.437) 4.642 7.525 ( -6.902 -0.000 0.155) 6.904 7.860 ( 0.975 0.000 3.212) 3.357 7.891 ( 0.395 0.000 -4.311) 4.329 8.352 ( 3.057 0.000 1.580) 3.441 8.367 ( 2.649 0.000 -0.426) 2.683 8.553 ( -2.771 -0.000 -2.235) 3.559 8.565 ( -6.732 -0.000 2.786) 7.286 8.804 ( 1.469 0.000 3.470) 3.768 8.836 ( 0.659 0.000 -4.503) 4.551 9.287 ( -4.098 -0.000 4.834) 6.337 9.302 ( -2.137 -0.000 -5.616) 6.009 9.774 ( 1.759 0.000 2.596) 3.136 9.832 ( -3.149 -0.000 -1.600) 3.532 10.090 ( 2.796 0.000 0.443) 2.831 10.156 ( -3.868 -0.000 -0.721) 3.935 10.639 ( 1.147 0.000 -2.056) 2.354 10.646 ( -0.590 -0.000 -0.773) 0.973 10.948 ( 0.079 0.000 0.386) 0.394 10.957 ( -1.876 -0.000 1.454) 2.373 11.128 ( 3.632 0.000 1.888) 4.093 11.199 ( -2.604 -0.000 -2.027) 3.300 11.518 ( 1.809 0.000 5.600) 5.885 11.553 ( 1.976 0.000 -1.437) 2.443 11.715 ( 2.450 0.000 -10.746) 11.022 11.755 ( -5.571 -0.000 4.166) 6.957 11.944 ( 2.602 0.000 -2.934) 3.922 11.976 ( -3.131 -0.000 3.889) 4.993 12.532 ( 2.903 0.000 5.868) 6.547 12.567 ( 2.830 0.000 -5.039) 5.780 12.712 ( 1.343 0.000 0.673) 1.502 12.732 ( -0.560 -0.000 -0.572) 0.801 13.012 ( 7.121 0.000 0.623) 7.148 13.094 ( -2.860 -0.000 1.544) 3.251 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -1.489 -1.536 -2.479) 3.275 2.127 ( 1.489 -1.536 2.479) 3.275 2.659 ( -5.881 -2.951 0.305) 6.587 2.659 ( 5.881 -2.951 -0.305) 6.587 3.238 ( -0.206 3.762 -5.044) 6.296 3.238 ( 0.206 3.762 5.044) 6.296 3.838 ( -2.755 -1.902 -9.399) 9.977 3.838 ( 2.755 -1.902 9.399) 9.977 4.281 ( 0.452 1.055 -8.206) 8.286 4.281 ( -0.452 1.055 8.206) 8.286 4.604 ( 1.209 -5.753 -4.948) 7.684 4.604 ( -1.209 -5.753 4.948) 7.684 5.413 ( 4.247 8.546 -8.139) 12.542 5.413 ( -4.247 8.546 8.139) 12.542 5.693 ( 6.618 0.050 -12.634) 14.262 5.693 ( -6.618 0.050 12.634) 14.262 6.232 ( 1.470 -2.984 -9.620) 10.179 6.232 ( -1.470 -2.984 9.620) 10.179 6.734 ( 0.798 -6.757 -2.294) 7.181 6.734 ( -0.798 -6.757 2.294) 7.181 7.504 ( -2.722 -3.646 -1.917) 4.937 7.504 ( 2.722 -3.646 1.917) 4.937 7.946 ( -0.687 -7.201 -3.581) 8.072 7.946 ( 0.687 -7.201 3.581) 8.072 8.373 ( 0.084 -0.003 -3.740) 3.741 8.373 ( -0.084 -0.003 3.740) 3.741 8.562 ( -1.898 -2.519 -3.308) 4.571 8.562 ( 1.898 -2.519 3.308) 4.571 8.872 ( 0.901 -4.851 -4.107) 6.419 8.872 ( -0.901 -4.851 4.107) 6.419 9.288 ( 0.542 -0.904 -5.598) 5.697 9.288 ( -0.542 -0.904 5.598) 5.697 9.782 ( -2.524 1.946 -2.909) 4.315 9.782 ( 2.524 1.946 2.909) 4.315 10.140 ( -2.259 -1.923 -2.595) 3.942 10.140 ( 2.259 -1.923 2.595) 3.942 10.637 ( -0.968 0.597 -0.854) 1.422 10.637 ( 0.968 0.597 0.854) 1.422 10.915 ( -0.699 3.590 -1.140) 3.831 10.915 ( 0.699 3.590 1.140) 3.831 11.151 ( -2.390 1.586 -1.967) 3.477 11.151 ( 2.390 1.586 1.967) 3.477 11.545 ( -1.548 0.515 -5.538) 5.773 11.545 ( 1.548 0.515 5.538) 5.773 11.685 ( 3.594 3.634 -5.539) 7.537 11.685 ( -3.594 3.634 5.539) 7.537 11.972 ( 0.168 -1.009 -2.121) 2.355 11.972 ( -0.168 -1.009 2.121) 2.355 12.517 ( -0.493 4.526 -5.780) 7.358 12.517 ( 0.493 4.526 5.780) 7.358 12.710 ( -1.254 1.438 -1.950) 2.728 12.710 ( 1.254 1.438 1.950) 2.728 13.008 ( -2.680 5.460 -1.199) 6.199 13.008 ( 2.680 5.460 1.199) 6.199 =================== 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 3/26244 10.0 854.445 582.744 543.255 0.000 195.811 0.000 3/26244 20.0 362.499 278.317 260.920 0.000 32.230 0.000 3/26244 30.0 167.197 134.064 122.257 0.000 8.468 0.000 3/26244 40.0 95.172 78.731 69.319 0.000 3.991 0.000 3/26244 50.0 60.498 50.960 43.661 0.000 2.439 0.000 3/26244 60.0 41.239 35.148 29.483 0.000 1.671 0.000 3/26244 70.0 29.621 25.464 21.015 0.000 1.221 0.000 3/26244 80.0 22.224 19.237 15.682 0.000 0.932 0.000 3/26244 90.0 17.313 15.073 12.174 0.000 0.736 0.000 3/26244 100.0 13.929 12.188 9.775 0.000 0.597 0.000 3/26244 110.0 11.517 10.124 8.074 0.000 0.496 0.000 3/26244 120.0 9.746 8.602 6.830 0.000 0.420 0.000 3/26244 130.0 8.409 7.450 5.892 0.000 0.362 0.000 3/26244 140.0 7.375 6.557 5.169 0.000 0.317 0.000 3/26244 150.0 6.557 5.848 4.597 0.000 0.281 0.000 3/26244 160.0 5.898 5.275 4.136 0.000 0.251 0.000 3/26244 170.0 5.357 4.805 3.759 0.000 0.227 0.000 3/26244 180.0 4.907 4.412 3.444 0.000 0.207 0.000 3/26244 190.0 4.527 4.080 3.179 0.000 0.190 0.000 3/26244 200.0 4.203 3.795 2.952 0.000 0.176 0.000 3/26244 210.0 3.923 3.550 2.757 0.000 0.163 0.000 3/26244 220.0 3.679 3.335 2.586 0.000 0.152 0.000 3/26244 230.0 3.465 3.146 2.436 0.000 0.143 0.000 3/26244 240.0 3.275 2.978 2.303 0.000 0.134 0.000 3/26244 250.0 3.106 2.828 2.185 0.000 0.127 0.000 3/26244 260.0 2.954 2.693 2.078 0.000 0.120 0.000 3/26244 270.0 2.817 2.571 1.982 0.000 0.114 0.000 3/26244 280.0 2.692 2.461 1.895 0.000 0.109 0.000 3/26244 290.0 2.579 2.359 1.816 0.000 0.104 0.000 3/26244 300.0 2.475 2.267 1.743 0.000 0.100 0.000 3/26244 310.0 2.380 2.181 1.676 0.000 0.095 0.000 3/26244 320.0 2.292 2.103 1.614 0.000 0.092 0.000 3/26244 330.0 2.211 2.030 1.557 0.000 0.088 0.000 3/26244 340.0 2.135 1.962 1.504 0.000 0.085 0.000 3/26244 350.0 2.065 1.899 1.455 0.000 0.082 0.000 3/26244 360.0 1.999 1.840 1.409 0.000 0.079 0.000 3/26244 370.0 1.938 1.784 1.366 0.000 0.077 0.000 3/26244 380.0 1.881 1.732 1.325 0.000 0.074 0.000 3/26244 390.0 1.826 1.683 1.287 0.000 0.072 0.000 3/26244 400.0 1.775 1.637 1.251 0.000 0.070 0.000 3/26244 410.0 1.727 1.594 1.218 0.000 0.068 0.000 3/26244 420.0 1.682 1.553 1.186 0.000 0.066 0.000 3/26244 430.0 1.639 1.513 1.156 0.000 0.064 0.000 3/26244 440.0 1.598 1.476 1.127 0.000 0.063 0.000 3/26244 450.0 1.560 1.441 1.100 0.000 0.061 0.000 3/26244 460.0 1.523 1.408 1.074 0.000 0.059 0.000 3/26244 470.0 1.488 1.376 1.049 0.000 0.058 0.000 3/26244 480.0 1.454 1.345 1.025 0.000 0.057 0.000 3/26244 490.0 1.422 1.316 1.003 0.000 0.055 0.000 3/26244 500.0 1.392 1.288 0.982 0.000 0.054 0.000 3/26244 510.0 1.363 1.262 0.961 0.000 0.053 0.000 3/26244 520.0 1.335 1.236 0.941 0.000 0.052 0.000 3/26244 530.0 1.308 1.212 0.922 0.000 0.051 0.000 3/26244 540.0 1.282 1.188 0.904 0.000 0.050 0.000 3/26244 550.0 1.258 1.166 0.887 0.000 0.049 0.000 3/26244 560.0 1.234 1.144 0.870 0.000 0.048 0.000 3/26244 570.0 1.211 1.123 0.854 0.000 0.047 0.000 3/26244 580.0 1.189 1.103 0.839 0.000 0.046 0.000 3/26244 590.0 1.168 1.084 0.824 0.000 0.045 0.000 3/26244 600.0 1.148 1.065 0.809 0.000 0.044 0.000 3/26244 610.0 1.128 1.047 0.796 0.000 0.043 0.000 3/26244 620.0 1.109 1.029 0.782 0.000 0.043 0.000 3/26244 630.0 1.091 1.013 0.769 0.000 0.042 0.000 3/26244 640.0 1.073 0.996 0.757 0.000 0.041 0.000 3/26244 650.0 1.056 0.980 0.745 0.000 0.041 0.000 3/26244 660.0 1.039 0.965 0.733 0.000 0.040 0.000 3/26244 670.0 1.023 0.950 0.722 0.000 0.039 0.000 3/26244 680.0 1.007 0.936 0.711 0.000 0.039 0.000 3/26244 690.0 0.992 0.922 0.700 0.000 0.038 0.000 3/26244 700.0 0.978 0.909 0.690 0.000 0.038 0.000 3/26244 710.0 0.963 0.896 0.680 0.000 0.037 0.000 3/26244 720.0 0.950 0.883 0.670 0.000 0.036 0.000 3/26244 730.0 0.936 0.870 0.660 0.000 0.036 0.000 3/26244 740.0 0.923 0.858 0.651 0.000 0.035 0.000 3/26244 750.0 0.910 0.847 0.642 0.000 0.035 0.000 3/26244 760.0 0.898 0.835 0.634 0.000 0.034 0.000 3/26244 770.0 0.886 0.824 0.625 0.000 0.034 0.000 3/26244 780.0 0.874 0.814 0.617 0.000 0.033 0.000 3/26244 790.0 0.863 0.803 0.609 0.000 0.033 0.000 3/26244 800.0 0.852 0.793 0.601 0.000 0.033 0.000 3/26244 810.0 0.841 0.783 0.593 0.000 0.032 0.000 3/26244 820.0 0.831 0.773 0.586 0.000 0.032 0.000 3/26244 830.0 0.821 0.764 0.579 0.000 0.031 0.000 3/26244 840.0 0.811 0.755 0.572 0.000 0.031 0.000 3/26244 850.0 0.801 0.746 0.565 0.000 0.031 0.000 3/26244 860.0 0.791 0.737 0.558 0.000 0.030 0.000 3/26244 870.0 0.782 0.728 0.552 0.000 0.030 0.000 3/26244 880.0 0.773 0.720 0.545 0.000 0.029 0.000 3/26244 890.0 0.764 0.712 0.539 0.000 0.029 0.000 3/26244 900.0 0.755 0.704 0.533 0.000 0.029 0.000 3/26244 910.0 0.747 0.696 0.527 0.000 0.028 0.000 3/26244 920.0 0.739 0.688 0.521 0.000 0.028 0.000 3/26244 930.0 0.731 0.681 0.515 0.000 0.028 0.000 3/26244 940.0 0.723 0.673 0.510 0.000 0.028 0.000 3/26244 950.0 0.715 0.666 0.504 0.000 0.027 0.000 3/26244 960.0 0.707 0.659 0.499 0.000 0.027 0.000 3/26244 970.0 0.700 0.652 0.494 0.000 0.027 0.000 3/26244 980.0 0.693 0.646 0.489 0.000 0.026 0.000 3/26244 990.0 0.686 0.639 0.484 0.000 0.026 0.000 3/26244 1000.0 0.679 0.633 0.479 0.000 0.026 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:39:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|