----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.161929665165156 -3.568685890000001 0.000000000000000 b 6.161929665165156 3.568685890000001 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): *1 O 0.36631752018015 0.63368247981985 0.75000000000000 15.999 2 O 0.63368247981985 0.36631752018015 0.25000000000000 15.999 *3 O 0.98328434709119 0.11216494360820 0.89089865024752 15.999 4 O 0.88783505639181 0.01671565290881 0.60910134975248 15.999 5 O 0.01671565290881 0.88783505639180 0.10910134975248 15.999 6 O 0.11216494360820 0.98328434709119 0.39089865024752 15.999 *7 O 0.79861708176937 0.41716104854876 0.74831079391341 15.999 8 O 0.58283895145124 0.20138291823063 0.75168920608659 15.999 9 O 0.20138291823063 0.58283895145124 0.25168920608659 15.999 10 O 0.41716104854876 0.79861708176937 0.24831079391341 15.999 *11 O 0.62879637982490 0.81794387260954 0.88647559021133 15.999 12 O 0.18205612739046 0.37120362017510 0.61352440978867 15.999 *13 O 0.71958134241970 0.53446406895713 0.10357620042241 15.999 14 O 0.46553593104286 0.28041865758030 0.39642379957759 15.999 15 O 0.28041865758030 0.46553593104287 0.89642379957759 15.999 16 O 0.53446406895713 0.71958134241970 0.60357620042241 15.999 17 O 0.81794387260954 0.62879637982490 0.38647559021132 15.999 18 O 0.37120362017510 0.18205612739046 0.11352440978867 15.999 *19 Si 0.83303898380174 0.16696101619826 0.75000000000000 28.085 20 Si 0.16696101619826 0.83303898380174 0.25000000000000 28.085 *21 Si 0.58189837874334 0.66735668239267 0.74642897629551 28.085 22 Si 0.33264331760733 0.41810162125667 0.75357102370449 28.085 23 Si 0.41810162125666 0.33264331760733 0.25357102370449 28.085 24 Si 0.66735668239267 0.58189837874334 0.24642897629551 28.085 *25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 *27 Sr 0.32783631677811 0.84530529046114 0.99918361112996 87.620 28 Sr 0.15469470953886 0.67216368322189 0.50081638887004 87.620 29 Sr 0.67216368322189 0.15469470953886 0.00081638887004 87.620 30 Sr 0.84530529046114 0.32783631677811 0.49918361112996 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.323859330330313 0.000000000000000 0.000000000000000 b 0.000000000000000 7.137371780000001 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): *1 O 0.50000000000000 0.13368247981985 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.86631752018015 0.25000000000000 15.999 > 2 *3 O 0.54772464534969 0.56444029825850 0.89089865024752 15.999 > 3 4 O 0.45227535465031 0.56444029825850 0.60910134975248 15.999 > 4 5 O 0.45227535465031 0.43555970174150 0.10910134975248 15.999 > 5 6 O 0.54772464534969 0.43555970174150 0.39089865024752 15.999 > 6 *7 O 0.60788906515907 0.80927198338970 0.74831079391341 15.999 > 7 8 O 0.39211093484093 0.80927198338970 0.75168920608659 15.999 > 8 9 O 0.39211093484093 0.19072801661031 0.25168920608659 15.999 > 9 10 O 0.60788906515907 0.19072801661031 0.24831079391341 15.999 > 10 *11 O 0.72337012621722 0.09457374639232 0.88647559021133 15.999 > 11 12 O 0.27662987378278 0.09457374639232 0.61352440978867 15.999 > 12 *13 O 0.62702270568842 0.90744136326872 0.10357620042241 15.999 > 13 14 O 0.37297729431158 0.90744136326872 0.39642379957759 15.999 > 14 15 O 0.37297729431158 0.09255863673128 0.89642379957759 15.999 > 15 16 O 0.62702270568842 0.09255863673128 0.60357620042241 15.999 > 16 17 O 0.72337012621722 0.90542625360768 0.38647559021132 15.999 > 17 18 O 0.27662987378278 0.90542625360768 0.11352440978867 15.999 > 18 19 O 0.00000000000000 0.63368247981985 0.75000000000000 15.999 > 1 20 O 0.00000000000000 0.36631752018015 0.25000000000000 15.999 > 2 21 O 0.04772464534969 0.06444029825850 0.89089865024752 15.999 > 3 22 O 0.95227535465031 0.06444029825850 0.60910134975248 15.999 > 4 23 O 0.95227535465031 0.93555970174150 0.10910134975248 15.999 > 5 24 O 0.04772464534969 0.93555970174150 0.39089865024752 15.999 > 6 25 O 0.10788906515907 0.30927198338970 0.74831079391341 15.999 > 7 26 O 0.89211093484093 0.30927198338970 0.75168920608659 15.999 > 8 27 O 0.89211093484093 0.69072801661030 0.25168920608659 15.999 > 9 28 O 0.10788906515907 0.69072801661030 0.24831079391341 15.999 > 10 29 O 0.22337012621722 0.59457374639232 0.88647559021133 15.999 > 11 30 O 0.77662987378278 0.59457374639232 0.61352440978867 15.999 > 12 31 O 0.12702270568842 0.40744136326872 0.10357620042241 15.999 > 13 32 O 0.87297729431158 0.40744136326872 0.39642379957759 15.999 > 14 33 O 0.87297729431158 0.59255863673128 0.89642379957759 15.999 > 15 34 O 0.12702270568842 0.59255863673128 0.60357620042241 15.999 > 16 35 O 0.22337012621722 0.40542625360768 0.38647559021132 15.999 > 17 36 O 0.77662987378278 0.40542625360768 0.11352440978867 15.999 > 18 *37 Si 0.50000000000000 0.66696101619826 0.75000000000000 28.085 > 19 38 Si 0.50000000000000 0.33303898380174 0.25000000000000 28.085 > 20 *39 Si 0.62462753056800 0.04272915182467 0.74642897629551 28.085 > 21 40 Si 0.37537246943200 0.04272915182467 0.75357102370449 28.085 > 22 41 Si 0.37537246943200 0.95727084817533 0.25357102370449 28.085 > 23 42 Si 0.62462753056800 0.95727084817533 0.24642897629551 28.085 > 24 43 Si 0.00000000000000 0.16696101619826 0.75000000000000 28.085 > 19 44 Si 0.00000000000000 0.83303898380174 0.25000000000000 28.085 > 20 45 Si 0.12462753056800 0.54272915182467 0.74642897629551 28.085 > 21 46 Si 0.87537246943200 0.54272915182467 0.75357102370449 28.085 > 22 47 Si 0.87537246943200 0.45727084817533 0.25357102370449 28.085 > 23 48 Si 0.12462753056800 0.45727084817533 0.24642897629551 28.085 > 24 *49 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 25 50 Sr 0.75000000000000 0.75000000000000 0.00000000000000 87.620 > 26 *51 Sr 0.58657080361962 0.25873448684152 0.99918361112996 87.620 > 27 52 Sr 0.41342919638038 0.25873448684152 0.50081638887004 87.620 > 28 53 Sr 0.41342919638038 0.74126551315848 0.00081638887004 87.620 > 29 54 Sr 0.58657080361962 0.74126551315848 0.49918361112996 87.620 > 30 55 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 25 56 Sr 0.25000000000000 0.25000000000000 0.00000000000000 87.620 > 26 57 Sr 0.08657080361962 0.75873448684152 0.99918361112996 87.620 > 27 58 Sr 0.91342919638038 0.75873448684152 0.50081638887004 87.620 > 28 59 Sr 0.91342919638038 0.24126551315848 0.00081638887004 87.620 > 29 60 Sr 0.08657080361962 0.24126551315848 0.49918361112996 87.620 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.323859330330313 0.000000000000000 0.000000000000000 b 0.000000000000000 14.274743560000003 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): *1 O 0.50000000000000 0.06684123990992 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.56684123990992 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.43315876009007 0.25000000000000 15.999 > 2 4 O 0.50000000000000 0.93315876009008 0.25000000000000 15.999 > 2 *5 O 0.54772464534969 0.28222014912925 0.89089865024752 15.999 > 3 6 O 0.54772464534969 0.78222014912925 0.89089865024752 15.999 > 3 7 O 0.45227535465031 0.28222014912925 0.60910134975248 15.999 > 4 8 O 0.45227535465031 0.78222014912925 0.60910134975248 15.999 > 4 9 O 0.45227535465031 0.21777985087075 0.10910134975248 15.999 > 5 10 O 0.45227535465031 0.71777985087075 0.10910134975248 15.999 > 5 11 O 0.54772464534969 0.21777985087075 0.39089865024752 15.999 > 6 12 O 0.54772464534969 0.71777985087075 0.39089865024752 15.999 > 6 *13 O 0.60788906515907 0.40463599169485 0.74831079391341 15.999 > 7 14 O 0.60788906515907 0.90463599169485 0.74831079391341 15.999 > 7 15 O 0.39211093484093 0.40463599169485 0.75168920608659 15.999 > 8 16 O 0.39211093484093 0.90463599169485 0.75168920608659 15.999 > 8 17 O 0.39211093484093 0.09536400830515 0.25168920608659 15.999 > 9 18 O 0.39211093484093 0.59536400830515 0.25168920608659 15.999 > 9 19 O 0.60788906515907 0.09536400830515 0.24831079391341 15.999 > 10 20 O 0.60788906515907 0.59536400830515 0.24831079391341 15.999 > 10 *21 O 0.72337012621722 0.04728687319616 0.88647559021133 15.999 > 11 22 O 0.72337012621722 0.54728687319616 0.88647559021133 15.999 > 11 23 O 0.27662987378278 0.04728687319616 0.61352440978867 15.999 > 12 24 O 0.27662987378278 0.54728687319616 0.61352440978867 15.999 > 12 *25 O 0.62702270568842 0.45372068163436 0.10357620042241 15.999 > 13 26 O 0.62702270568842 0.95372068163436 0.10357620042241 15.999 > 13 27 O 0.37297729431158 0.45372068163436 0.39642379957759 15.999 > 14 28 O 0.37297729431158 0.95372068163436 0.39642379957759 15.999 > 14 29 O 0.37297729431158 0.04627931836564 0.89642379957759 15.999 > 15 30 O 0.37297729431158 0.54627931836564 0.89642379957759 15.999 > 15 31 O 0.62702270568842 0.04627931836564 0.60357620042241 15.999 > 16 32 O 0.62702270568842 0.54627931836564 0.60357620042241 15.999 > 16 33 O 0.72337012621722 0.45271312680384 0.38647559021132 15.999 > 17 34 O 0.72337012621722 0.95271312680384 0.38647559021132 15.999 > 17 35 O 0.27662987378278 0.45271312680384 0.11352440978867 15.999 > 18 36 O 0.27662987378278 0.95271312680384 0.11352440978867 15.999 > 18 37 O 0.00000000000000 0.31684123990993 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.81684123990992 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.18315876009008 0.25000000000000 15.999 > 2 40 O 0.00000000000000 0.68315876009008 0.25000000000000 15.999 > 2 41 O 0.04772464534969 0.03222014912925 0.89089865024752 15.999 > 3 42 O 0.04772464534969 0.53222014912925 0.89089865024752 15.999 > 3 43 O 0.95227535465031 0.03222014912925 0.60910134975248 15.999 > 4 44 O 0.95227535465031 0.53222014912925 0.60910134975248 15.999 > 4 45 O 0.95227535465031 0.46777985087075 0.10910134975248 15.999 > 5 46 O 0.95227535465031 0.96777985087075 0.10910134975248 15.999 > 5 47 O 0.04772464534969 0.46777985087075 0.39089865024752 15.999 > 6 48 O 0.04772464534969 0.96777985087075 0.39089865024752 15.999 > 6 49 O 0.10788906515907 0.15463599169485 0.74831079391341 15.999 > 7 50 O 0.10788906515907 0.65463599169485 0.74831079391341 15.999 > 7 51 O 0.89211093484093 0.15463599169485 0.75168920608659 15.999 > 8 52 O 0.89211093484093 0.65463599169485 0.75168920608659 15.999 > 8 53 O 0.89211093484093 0.34536400830515 0.25168920608659 15.999 > 9 54 O 0.89211093484093 0.84536400830515 0.25168920608659 15.999 > 9 55 O 0.10788906515907 0.34536400830515 0.24831079391341 15.999 > 10 56 O 0.10788906515907 0.84536400830515 0.24831079391341 15.999 > 10 57 O 0.22337012621722 0.29728687319616 0.88647559021133 15.999 > 11 58 O 0.22337012621722 0.79728687319616 0.88647559021133 15.999 > 11 59 O 0.77662987378278 0.29728687319616 0.61352440978867 15.999 > 12 60 O 0.77662987378278 0.79728687319616 0.61352440978867 15.999 > 12 61 O 0.12702270568842 0.20372068163436 0.10357620042241 15.999 > 13 62 O 0.12702270568842 0.70372068163436 0.10357620042241 15.999 > 13 63 O 0.87297729431158 0.20372068163436 0.39642379957759 15.999 > 14 64 O 0.87297729431158 0.70372068163436 0.39642379957759 15.999 > 14 65 O 0.87297729431158 0.29627931836564 0.89642379957759 15.999 > 15 66 O 0.87297729431158 0.79627931836564 0.89642379957759 15.999 > 15 67 O 0.12702270568842 0.29627931836564 0.60357620042241 15.999 > 16 68 O 0.12702270568842 0.79627931836564 0.60357620042241 15.999 > 16 69 O 0.22337012621722 0.20271312680384 0.38647559021132 15.999 > 17 70 O 0.22337012621722 0.70271312680384 0.38647559021132 15.999 > 17 71 O 0.77662987378278 0.20271312680384 0.11352440978867 15.999 > 18 72 O 0.77662987378278 0.70271312680384 0.11352440978867 15.999 > 18 *73 Si 0.50000000000000 0.33348050809913 0.75000000000000 28.085 > 19 74 Si 0.50000000000000 0.83348050809913 0.75000000000000 28.085 > 19 75 Si 0.50000000000000 0.16651949190087 0.25000000000000 28.085 > 20 76 Si 0.50000000000000 0.66651949190087 0.25000000000000 28.085 > 20 *77 Si 0.62462753056800 0.02136457591233 0.74642897629551 28.085 > 21 78 Si 0.62462753056800 0.52136457591233 0.74642897629551 28.085 > 21 79 Si 0.37537246943200 0.02136457591233 0.75357102370449 28.085 > 22 80 Si 0.37537246943200 0.52136457591233 0.75357102370449 28.085 > 22 81 Si 0.37537246943200 0.47863542408767 0.25357102370449 28.085 > 23 82 Si 0.37537246943200 0.97863542408767 0.25357102370449 28.085 > 23 83 Si 0.62462753056800 0.47863542408767 0.24642897629551 28.085 > 24 84 Si 0.62462753056800 0.97863542408767 0.24642897629551 28.085 > 24 85 Si 0.00000000000000 0.08348050809913 0.75000000000000 28.085 > 19 86 Si 0.00000000000000 0.58348050809913 0.75000000000000 28.085 > 19 87 Si 0.00000000000000 0.41651949190087 0.25000000000000 28.085 > 20 88 Si 0.00000000000000 0.91651949190087 0.25000000000000 28.085 > 20 89 Si 0.12462753056800 0.27136457591233 0.74642897629551 28.085 > 21 90 Si 0.12462753056800 0.77136457591233 0.74642897629551 28.085 > 21 91 Si 0.87537246943200 0.27136457591233 0.75357102370449 28.085 > 22 92 Si 0.87537246943200 0.77136457591233 0.75357102370449 28.085 > 22 93 Si 0.87537246943200 0.22863542408767 0.25357102370449 28.085 > 23 94 Si 0.87537246943200 0.72863542408767 0.25357102370449 28.085 > 23 95 Si 0.12462753056800 0.22863542408767 0.24642897629551 28.085 > 24 96 Si 0.12462753056800 0.72863542408767 0.24642897629551 28.085 > 24 *97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 25 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 25 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 26 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 26 *101 Sr 0.58657080361962 0.12936724342076 0.99918361112996 87.620 > 27 102 Sr 0.58657080361962 0.62936724342076 0.99918361112996 87.620 > 27 103 Sr 0.41342919638038 0.12936724342076 0.50081638887004 87.620 > 28 104 Sr 0.41342919638038 0.62936724342076 0.50081638887004 87.620 > 28 105 Sr 0.41342919638038 0.37063275657924 0.00081638887004 87.620 > 29 106 Sr 0.41342919638038 0.87063275657924 0.00081638887004 87.620 > 29 107 Sr 0.58657080361962 0.37063275657924 0.49918361112996 87.620 > 30 108 Sr 0.58657080361962 0.87063275657924 0.49918361112996 87.620 > 30 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 25 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 25 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 26 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 26 113 Sr 0.08657080361962 0.37936724342076 0.99918361112996 87.620 > 27 114 Sr 0.08657080361962 0.87936724342076 0.99918361112996 87.620 > 27 115 Sr 0.91342919638038 0.37936724342076 0.50081638887004 87.620 > 28 116 Sr 0.91342919638038 0.87936724342076 0.50081638887004 87.620 > 28 117 Sr 0.91342919638038 0.12063275657924 0.00081638887004 87.620 > 29 118 Sr 0.91342919638038 0.62063275657924 0.00081638887004 87.620 > 29 119 Sr 0.08657080361962 0.12063275657924 0.49918361112996 87.620 > 30 120 Sr 0.08657080361962 0.62063275657924 0.49918361112996 87.620 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7616305 0.0000000 0.0049929 0.0000000 2.7612834 0.0000000 0.0049938 0.0000000 2.9049337 -------------------------- Born effective charges -------------------------- 1 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 2 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 3 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 4 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 5 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 6 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 7 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 8 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 9 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 10 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 11 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 12 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 13 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 14 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 15 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 16 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 17 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 18 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 19 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 20 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 21 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 22 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 23 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 24 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 25 Sr 2.6197100 0.2435972 0.1357032 0.2464549 2.3113902 0.0700966 0.0339126 0.0107864 2.4745986 26 Sr 2.6197100 -0.2435972 0.1357032 -0.2464549 2.3113902 -0.0700966 0.0339126 -0.0107864 2.4745986 27 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 28 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 29 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 30 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 247 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 7), data: (504, 16) @ (16, 7) |-- (254, 247), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.055 Solver_block: 200 / 960 - Time: 0.907 Solver_block: 300 / 960 - Time: 0.912 Solver_block: 400 / 960 - Time: 0.903 Solver_block: 500 / 960 - Time: 0.907 Solver_block: 600 / 960 - Time: 0.908 Solver_block: 700 / 960 - Time: 0.910 Solver_block: 800 / 960 - Time: 0.900 Solver_block: 900 / 960 - Time: 0.903 Solver_block: 960 / 960 - Time: 0.633 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.170 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 247 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 7), data: (504, 16) @ (16, 7) |-- (254, 247), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), 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 2026-01-07 19:58:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:58:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.161929665165156 -3.568685890000001 0.000000000000000 b 6.161929665165156 3.568685890000001 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): 1 O 0.36631752018015 0.63368247981985 0.75000000000000 15.999 2 O 0.63368247981985 0.36631752018015 0.25000000000000 15.999 3 O 0.98328434709119 0.11216494360820 0.89089865024752 15.999 4 O 0.88783505639181 0.01671565290881 0.60910134975248 15.999 5 O 0.01671565290881 0.88783505639180 0.10910134975248 15.999 6 O 0.11216494360820 0.98328434709119 0.39089865024752 15.999 7 O 0.79861708176937 0.41716104854876 0.74831079391341 15.999 8 O 0.58283895145124 0.20138291823063 0.75168920608659 15.999 9 O 0.20138291823063 0.58283895145124 0.25168920608659 15.999 10 O 0.41716104854876 0.79861708176937 0.24831079391341 15.999 11 O 0.62879637982490 0.81794387260954 0.88647559021133 15.999 12 O 0.18205612739046 0.37120362017510 0.61352440978867 15.999 13 O 0.71958134241970 0.53446406895713 0.10357620042241 15.999 14 O 0.46553593104286 0.28041865758030 0.39642379957759 15.999 15 O 0.28041865758030 0.46553593104287 0.89642379957759 15.999 16 O 0.53446406895713 0.71958134241970 0.60357620042241 15.999 17 O 0.81794387260954 0.62879637982490 0.38647559021132 15.999 18 O 0.37120362017510 0.18205612739046 0.11352440978867 15.999 19 Si 0.83303898380174 0.16696101619826 0.75000000000000 28.085 20 Si 0.16696101619826 0.83303898380174 0.25000000000000 28.085 21 Si 0.58189837874334 0.66735668239267 0.74642897629551 28.085 22 Si 0.33264331760733 0.41810162125667 0.75357102370449 28.085 23 Si 0.41810162125666 0.33264331760733 0.25357102370449 28.085 24 Si 0.66735668239267 0.58189837874334 0.24642897629551 28.085 25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 27 Sr 0.32783631677811 0.84530529046114 0.99918361112996 87.620 28 Sr 0.15469470953886 0.67216368322189 0.50081638887004 87.620 29 Sr 0.67216368322189 0.15469470953886 0.00081638887004 87.620 30 Sr 0.84530529046114 0.32783631677811 0.49918361112996 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.323859330330313 0.000000000000000 0.000000000000000 b 0.000000000000000 14.274743560000003 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): 1 O 0.50000000000000 0.06684123990992 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.56684123990992 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.43315876009007 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.93315876009008 0.25000000000000 15.999 > 3 5 O 0.54772464534969 0.28222014912925 0.89089865024752 15.999 > 5 6 O 0.54772464534969 0.78222014912925 0.89089865024752 15.999 > 5 7 O 0.45227535465031 0.28222014912925 0.60910134975248 15.999 > 7 8 O 0.45227535465031 0.78222014912925 0.60910134975248 15.999 > 7 9 O 0.45227535465031 0.21777985087075 0.10910134975248 15.999 > 9 10 O 0.45227535465031 0.71777985087075 0.10910134975248 15.999 > 9 11 O 0.54772464534969 0.21777985087075 0.39089865024752 15.999 > 11 12 O 0.54772464534969 0.71777985087075 0.39089865024752 15.999 > 11 13 O 0.60788906515907 0.40463599169485 0.74831079391341 15.999 > 13 14 O 0.60788906515907 0.90463599169485 0.74831079391341 15.999 > 13 15 O 0.39211093484093 0.40463599169485 0.75168920608659 15.999 > 15 16 O 0.39211093484093 0.90463599169485 0.75168920608659 15.999 > 15 17 O 0.39211093484093 0.09536400830515 0.25168920608659 15.999 > 17 18 O 0.39211093484093 0.59536400830515 0.25168920608659 15.999 > 17 19 O 0.60788906515907 0.09536400830515 0.24831079391341 15.999 > 19 20 O 0.60788906515907 0.59536400830515 0.24831079391341 15.999 > 19 21 O 0.72337012621722 0.04728687319616 0.88647559021133 15.999 > 21 22 O 0.72337012621722 0.54728687319616 0.88647559021133 15.999 > 21 23 O 0.27662987378278 0.04728687319616 0.61352440978867 15.999 > 23 24 O 0.27662987378278 0.54728687319616 0.61352440978867 15.999 > 23 25 O 0.62702270568842 0.45372068163436 0.10357620042241 15.999 > 25 26 O 0.62702270568842 0.95372068163436 0.10357620042241 15.999 > 25 27 O 0.37297729431158 0.45372068163436 0.39642379957759 15.999 > 27 28 O 0.37297729431158 0.95372068163436 0.39642379957759 15.999 > 27 29 O 0.37297729431158 0.04627931836564 0.89642379957759 15.999 > 29 30 O 0.37297729431158 0.54627931836564 0.89642379957759 15.999 > 29 31 O 0.62702270568842 0.04627931836564 0.60357620042241 15.999 > 31 32 O 0.62702270568842 0.54627931836564 0.60357620042241 15.999 > 31 33 O 0.72337012621722 0.45271312680384 0.38647559021132 15.999 > 33 34 O 0.72337012621722 0.95271312680384 0.38647559021132 15.999 > 33 35 O 0.27662987378278 0.45271312680384 0.11352440978867 15.999 > 35 36 O 0.27662987378278 0.95271312680384 0.11352440978867 15.999 > 35 37 O 0.00000000000000 0.31684123990993 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.81684123990992 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.18315876009008 0.25000000000000 15.999 > 3 40 O 0.00000000000000 0.68315876009008 0.25000000000000 15.999 > 3 41 O 0.04772464534969 0.03222014912925 0.89089865024752 15.999 > 5 42 O 0.04772464534969 0.53222014912925 0.89089865024752 15.999 > 5 43 O 0.95227535465031 0.03222014912925 0.60910134975248 15.999 > 7 44 O 0.95227535465031 0.53222014912925 0.60910134975248 15.999 > 7 45 O 0.95227535465031 0.46777985087075 0.10910134975248 15.999 > 9 46 O 0.95227535465031 0.96777985087075 0.10910134975248 15.999 > 9 47 O 0.04772464534969 0.46777985087075 0.39089865024752 15.999 > 11 48 O 0.04772464534969 0.96777985087075 0.39089865024752 15.999 > 11 49 O 0.10788906515907 0.15463599169485 0.74831079391341 15.999 > 13 50 O 0.10788906515907 0.65463599169485 0.74831079391341 15.999 > 13 51 O 0.89211093484093 0.15463599169485 0.75168920608659 15.999 > 15 52 O 0.89211093484093 0.65463599169485 0.75168920608659 15.999 > 15 53 O 0.89211093484093 0.34536400830515 0.25168920608659 15.999 > 17 54 O 0.89211093484093 0.84536400830515 0.25168920608659 15.999 > 17 55 O 0.10788906515907 0.34536400830515 0.24831079391341 15.999 > 19 56 O 0.10788906515907 0.84536400830515 0.24831079391341 15.999 > 19 57 O 0.22337012621722 0.29728687319616 0.88647559021133 15.999 > 21 58 O 0.22337012621722 0.79728687319616 0.88647559021133 15.999 > 21 59 O 0.77662987378278 0.29728687319616 0.61352440978867 15.999 > 23 60 O 0.77662987378278 0.79728687319616 0.61352440978867 15.999 > 23 61 O 0.12702270568842 0.20372068163436 0.10357620042241 15.999 > 25 62 O 0.12702270568842 0.70372068163436 0.10357620042241 15.999 > 25 63 O 0.87297729431158 0.20372068163436 0.39642379957759 15.999 > 27 64 O 0.87297729431158 0.70372068163436 0.39642379957759 15.999 > 27 65 O 0.87297729431158 0.29627931836564 0.89642379957759 15.999 > 29 66 O 0.87297729431158 0.79627931836564 0.89642379957759 15.999 > 29 67 O 0.12702270568842 0.29627931836564 0.60357620042241 15.999 > 31 68 O 0.12702270568842 0.79627931836564 0.60357620042241 15.999 > 31 69 O 0.22337012621722 0.20271312680384 0.38647559021132 15.999 > 33 70 O 0.22337012621722 0.70271312680384 0.38647559021132 15.999 > 33 71 O 0.77662987378278 0.20271312680384 0.11352440978867 15.999 > 35 72 O 0.77662987378278 0.70271312680384 0.11352440978867 15.999 > 35 73 Si 0.50000000000000 0.33348050809913 0.75000000000000 28.085 > 73 74 Si 0.50000000000000 0.83348050809913 0.75000000000000 28.085 > 73 75 Si 0.50000000000000 0.16651949190087 0.25000000000000 28.085 > 75 76 Si 0.50000000000000 0.66651949190087 0.25000000000000 28.085 > 75 77 Si 0.62462753056800 0.02136457591233 0.74642897629551 28.085 > 77 78 Si 0.62462753056800 0.52136457591233 0.74642897629551 28.085 > 77 79 Si 0.37537246943200 0.02136457591233 0.75357102370449 28.085 > 79 80 Si 0.37537246943200 0.52136457591233 0.75357102370449 28.085 > 79 81 Si 0.37537246943200 0.47863542408767 0.25357102370449 28.085 > 81 82 Si 0.37537246943200 0.97863542408767 0.25357102370449 28.085 > 81 83 Si 0.62462753056800 0.47863542408767 0.24642897629551 28.085 > 83 84 Si 0.62462753056800 0.97863542408767 0.24642897629551 28.085 > 83 85 Si 0.00000000000000 0.08348050809913 0.75000000000000 28.085 > 73 86 Si 0.00000000000000 0.58348050809913 0.75000000000000 28.085 > 73 87 Si 0.00000000000000 0.41651949190087 0.25000000000000 28.085 > 75 88 Si 0.00000000000000 0.91651949190087 0.25000000000000 28.085 > 75 89 Si 0.12462753056800 0.27136457591233 0.74642897629551 28.085 > 77 90 Si 0.12462753056800 0.77136457591233 0.74642897629551 28.085 > 77 91 Si 0.87537246943200 0.27136457591233 0.75357102370449 28.085 > 79 92 Si 0.87537246943200 0.77136457591233 0.75357102370449 28.085 > 79 93 Si 0.87537246943200 0.22863542408767 0.25357102370449 28.085 > 81 94 Si 0.87537246943200 0.72863542408767 0.25357102370449 28.085 > 81 95 Si 0.12462753056800 0.22863542408767 0.24642897629551 28.085 > 83 96 Si 0.12462753056800 0.72863542408767 0.24642897629551 28.085 > 83 97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 97 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 97 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 99 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 99 101 Sr 0.58657080361962 0.12936724342076 0.99918361112996 87.620 > 101 102 Sr 0.58657080361962 0.62936724342076 0.99918361112996 87.620 > 101 103 Sr 0.41342919638038 0.12936724342076 0.50081638887004 87.620 > 103 104 Sr 0.41342919638038 0.62936724342076 0.50081638887004 87.620 > 103 105 Sr 0.41342919638038 0.37063275657924 0.00081638887004 87.620 > 105 106 Sr 0.41342919638038 0.87063275657924 0.00081638887004 87.620 > 105 107 Sr 0.58657080361962 0.37063275657924 0.49918361112996 87.620 > 107 108 Sr 0.58657080361962 0.87063275657924 0.49918361112996 87.620 > 107 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 97 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 97 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 99 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 99 113 Sr 0.08657080361962 0.37936724342076 0.99918361112996 87.620 > 101 114 Sr 0.08657080361962 0.87936724342076 0.99918361112996 87.620 > 101 115 Sr 0.91342919638038 0.37936724342076 0.50081638887004 87.620 > 103 116 Sr 0.91342919638038 0.87936724342076 0.50081638887004 87.620 > 103 117 Sr 0.91342919638038 0.12063275657924 0.00081638887004 87.620 > 105 118 Sr 0.91342919638038 0.62063275657924 0.00081638887004 87.620 > 105 119 Sr 0.08657080361962 0.12063275657924 0.49918361112996 87.620 > 107 120 Sr 0.08657080361962 0.62063275657924 0.49918361112996 87.620 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7616305 0.0000000 0.0049929 0.0000000 2.7612834 0.0000000 0.0049938 0.0000000 2.9049337 -------------------------- Born effective charges -------------------------- 1 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 2 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 3 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 4 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 5 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 6 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 7 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 8 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 9 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 10 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 11 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 12 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 13 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 14 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 15 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 16 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 17 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 18 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 19 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 20 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 21 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 22 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 23 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 24 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 25 Sr 2.6197100 0.2435972 0.1357032 0.2464549 2.3113902 0.0700966 0.0339126 0.0107864 2.4745986 26 Sr 2.6197100 -0.2435972 0.1357032 -0.2464549 2.3113902 -0.0700966 0.0339126 -0.0107864 2.4745986 27 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 28 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 29 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 30 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 77, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 2026-01-07 19:58:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:58:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.161929665165156 -3.568685890000001 0.000000000000000 b 6.161929665165156 3.568685890000001 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): 1 O 0.36631752018015 0.63368247981985 0.75000000000000 15.999 2 O 0.63368247981985 0.36631752018015 0.25000000000000 15.999 3 O 0.98328434709119 0.11216494360820 0.89089865024752 15.999 4 O 0.88783505639181 0.01671565290881 0.60910134975248 15.999 5 O 0.01671565290881 0.88783505639180 0.10910134975248 15.999 6 O 0.11216494360820 0.98328434709119 0.39089865024752 15.999 7 O 0.79861708176937 0.41716104854876 0.74831079391341 15.999 8 O 0.58283895145124 0.20138291823063 0.75168920608659 15.999 9 O 0.20138291823063 0.58283895145124 0.25168920608659 15.999 10 O 0.41716104854876 0.79861708176937 0.24831079391341 15.999 11 O 0.62879637982490 0.81794387260954 0.88647559021133 15.999 12 O 0.18205612739046 0.37120362017510 0.61352440978867 15.999 13 O 0.71958134241970 0.53446406895713 0.10357620042241 15.999 14 O 0.46553593104286 0.28041865758030 0.39642379957759 15.999 15 O 0.28041865758030 0.46553593104287 0.89642379957759 15.999 16 O 0.53446406895713 0.71958134241970 0.60357620042241 15.999 17 O 0.81794387260954 0.62879637982490 0.38647559021132 15.999 18 O 0.37120362017510 0.18205612739046 0.11352440978867 15.999 19 Si 0.83303898380174 0.16696101619826 0.75000000000000 28.085 20 Si 0.16696101619826 0.83303898380174 0.25000000000000 28.085 21 Si 0.58189837874334 0.66735668239267 0.74642897629551 28.085 22 Si 0.33264331760733 0.41810162125667 0.75357102370449 28.085 23 Si 0.41810162125666 0.33264331760733 0.25357102370449 28.085 24 Si 0.66735668239267 0.58189837874334 0.24642897629551 28.085 25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 27 Sr 0.32783631677811 0.84530529046114 0.99918361112996 87.620 28 Sr 0.15469470953886 0.67216368322189 0.50081638887004 87.620 29 Sr 0.67216368322189 0.15469470953886 0.00081638887004 87.620 30 Sr 0.84530529046114 0.32783631677811 0.49918361112996 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.323859330330313 0.000000000000000 0.000000000000000 b 0.000000000000000 14.274743560000003 0.000000000000000 c -4.011520043262768 0.000000000000000 10.112154050896242 Atomic positions (fractional): 1 O 0.50000000000000 0.06684123990992 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.56684123990992 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.43315876009007 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.93315876009008 0.25000000000000 15.999 > 3 5 O 0.54772464534969 0.28222014912925 0.89089865024752 15.999 > 5 6 O 0.54772464534969 0.78222014912925 0.89089865024752 15.999 > 5 7 O 0.45227535465031 0.28222014912925 0.60910134975248 15.999 > 7 8 O 0.45227535465031 0.78222014912925 0.60910134975248 15.999 > 7 9 O 0.45227535465031 0.21777985087075 0.10910134975248 15.999 > 9 10 O 0.45227535465031 0.71777985087075 0.10910134975248 15.999 > 9 11 O 0.54772464534969 0.21777985087075 0.39089865024752 15.999 > 11 12 O 0.54772464534969 0.71777985087075 0.39089865024752 15.999 > 11 13 O 0.60788906515907 0.40463599169485 0.74831079391341 15.999 > 13 14 O 0.60788906515907 0.90463599169485 0.74831079391341 15.999 > 13 15 O 0.39211093484093 0.40463599169485 0.75168920608659 15.999 > 15 16 O 0.39211093484093 0.90463599169485 0.75168920608659 15.999 > 15 17 O 0.39211093484093 0.09536400830515 0.25168920608659 15.999 > 17 18 O 0.39211093484093 0.59536400830515 0.25168920608659 15.999 > 17 19 O 0.60788906515907 0.09536400830515 0.24831079391341 15.999 > 19 20 O 0.60788906515907 0.59536400830515 0.24831079391341 15.999 > 19 21 O 0.72337012621722 0.04728687319616 0.88647559021133 15.999 > 21 22 O 0.72337012621722 0.54728687319616 0.88647559021133 15.999 > 21 23 O 0.27662987378278 0.04728687319616 0.61352440978867 15.999 > 23 24 O 0.27662987378278 0.54728687319616 0.61352440978867 15.999 > 23 25 O 0.62702270568842 0.45372068163436 0.10357620042241 15.999 > 25 26 O 0.62702270568842 0.95372068163436 0.10357620042241 15.999 > 25 27 O 0.37297729431158 0.45372068163436 0.39642379957759 15.999 > 27 28 O 0.37297729431158 0.95372068163436 0.39642379957759 15.999 > 27 29 O 0.37297729431158 0.04627931836564 0.89642379957759 15.999 > 29 30 O 0.37297729431158 0.54627931836564 0.89642379957759 15.999 > 29 31 O 0.62702270568842 0.04627931836564 0.60357620042241 15.999 > 31 32 O 0.62702270568842 0.54627931836564 0.60357620042241 15.999 > 31 33 O 0.72337012621722 0.45271312680384 0.38647559021132 15.999 > 33 34 O 0.72337012621722 0.95271312680384 0.38647559021132 15.999 > 33 35 O 0.27662987378278 0.45271312680384 0.11352440978867 15.999 > 35 36 O 0.27662987378278 0.95271312680384 0.11352440978867 15.999 > 35 37 O 0.00000000000000 0.31684123990993 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.81684123990992 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.18315876009008 0.25000000000000 15.999 > 3 40 O 0.00000000000000 0.68315876009008 0.25000000000000 15.999 > 3 41 O 0.04772464534969 0.03222014912925 0.89089865024752 15.999 > 5 42 O 0.04772464534969 0.53222014912925 0.89089865024752 15.999 > 5 43 O 0.95227535465031 0.03222014912925 0.60910134975248 15.999 > 7 44 O 0.95227535465031 0.53222014912925 0.60910134975248 15.999 > 7 45 O 0.95227535465031 0.46777985087075 0.10910134975248 15.999 > 9 46 O 0.95227535465031 0.96777985087075 0.10910134975248 15.999 > 9 47 O 0.04772464534969 0.46777985087075 0.39089865024752 15.999 > 11 48 O 0.04772464534969 0.96777985087075 0.39089865024752 15.999 > 11 49 O 0.10788906515907 0.15463599169485 0.74831079391341 15.999 > 13 50 O 0.10788906515907 0.65463599169485 0.74831079391341 15.999 > 13 51 O 0.89211093484093 0.15463599169485 0.75168920608659 15.999 > 15 52 O 0.89211093484093 0.65463599169485 0.75168920608659 15.999 > 15 53 O 0.89211093484093 0.34536400830515 0.25168920608659 15.999 > 17 54 O 0.89211093484093 0.84536400830515 0.25168920608659 15.999 > 17 55 O 0.10788906515907 0.34536400830515 0.24831079391341 15.999 > 19 56 O 0.10788906515907 0.84536400830515 0.24831079391341 15.999 > 19 57 O 0.22337012621722 0.29728687319616 0.88647559021133 15.999 > 21 58 O 0.22337012621722 0.79728687319616 0.88647559021133 15.999 > 21 59 O 0.77662987378278 0.29728687319616 0.61352440978867 15.999 > 23 60 O 0.77662987378278 0.79728687319616 0.61352440978867 15.999 > 23 61 O 0.12702270568842 0.20372068163436 0.10357620042241 15.999 > 25 62 O 0.12702270568842 0.70372068163436 0.10357620042241 15.999 > 25 63 O 0.87297729431158 0.20372068163436 0.39642379957759 15.999 > 27 64 O 0.87297729431158 0.70372068163436 0.39642379957759 15.999 > 27 65 O 0.87297729431158 0.29627931836564 0.89642379957759 15.999 > 29 66 O 0.87297729431158 0.79627931836564 0.89642379957759 15.999 > 29 67 O 0.12702270568842 0.29627931836564 0.60357620042241 15.999 > 31 68 O 0.12702270568842 0.79627931836564 0.60357620042241 15.999 > 31 69 O 0.22337012621722 0.20271312680384 0.38647559021132 15.999 > 33 70 O 0.22337012621722 0.70271312680384 0.38647559021132 15.999 > 33 71 O 0.77662987378278 0.20271312680384 0.11352440978867 15.999 > 35 72 O 0.77662987378278 0.70271312680384 0.11352440978867 15.999 > 35 73 Si 0.50000000000000 0.33348050809913 0.75000000000000 28.085 > 73 74 Si 0.50000000000000 0.83348050809913 0.75000000000000 28.085 > 73 75 Si 0.50000000000000 0.16651949190087 0.25000000000000 28.085 > 75 76 Si 0.50000000000000 0.66651949190087 0.25000000000000 28.085 > 75 77 Si 0.62462753056800 0.02136457591233 0.74642897629551 28.085 > 77 78 Si 0.62462753056800 0.52136457591233 0.74642897629551 28.085 > 77 79 Si 0.37537246943200 0.02136457591233 0.75357102370449 28.085 > 79 80 Si 0.37537246943200 0.52136457591233 0.75357102370449 28.085 > 79 81 Si 0.37537246943200 0.47863542408767 0.25357102370449 28.085 > 81 82 Si 0.37537246943200 0.97863542408767 0.25357102370449 28.085 > 81 83 Si 0.62462753056800 0.47863542408767 0.24642897629551 28.085 > 83 84 Si 0.62462753056800 0.97863542408767 0.24642897629551 28.085 > 83 85 Si 0.00000000000000 0.08348050809913 0.75000000000000 28.085 > 73 86 Si 0.00000000000000 0.58348050809913 0.75000000000000 28.085 > 73 87 Si 0.00000000000000 0.41651949190087 0.25000000000000 28.085 > 75 88 Si 0.00000000000000 0.91651949190087 0.25000000000000 28.085 > 75 89 Si 0.12462753056800 0.27136457591233 0.74642897629551 28.085 > 77 90 Si 0.12462753056800 0.77136457591233 0.74642897629551 28.085 > 77 91 Si 0.87537246943200 0.27136457591233 0.75357102370449 28.085 > 79 92 Si 0.87537246943200 0.77136457591233 0.75357102370449 28.085 > 79 93 Si 0.87537246943200 0.22863542408767 0.25357102370449 28.085 > 81 94 Si 0.87537246943200 0.72863542408767 0.25357102370449 28.085 > 81 95 Si 0.12462753056800 0.22863542408767 0.24642897629551 28.085 > 83 96 Si 0.12462753056800 0.72863542408767 0.24642897629551 28.085 > 83 97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 97 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 97 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 99 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 99 101 Sr 0.58657080361962 0.12936724342076 0.99918361112996 87.620 > 101 102 Sr 0.58657080361962 0.62936724342076 0.99918361112996 87.620 > 101 103 Sr 0.41342919638038 0.12936724342076 0.50081638887004 87.620 > 103 104 Sr 0.41342919638038 0.62936724342076 0.50081638887004 87.620 > 103 105 Sr 0.41342919638038 0.37063275657924 0.00081638887004 87.620 > 105 106 Sr 0.41342919638038 0.87063275657924 0.00081638887004 87.620 > 105 107 Sr 0.58657080361962 0.37063275657924 0.49918361112996 87.620 > 107 108 Sr 0.58657080361962 0.87063275657924 0.49918361112996 87.620 > 107 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 97 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 97 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 99 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 99 113 Sr 0.08657080361962 0.37936724342076 0.99918361112996 87.620 > 101 114 Sr 0.08657080361962 0.87936724342076 0.99918361112996 87.620 > 101 115 Sr 0.91342919638038 0.37936724342076 0.50081638887004 87.620 > 103 116 Sr 0.91342919638038 0.87936724342076 0.50081638887004 87.620 > 103 117 Sr 0.91342919638038 0.12063275657924 0.00081638887004 87.620 > 105 118 Sr 0.91342919638038 0.62063275657924 0.00081638887004 87.620 > 105 119 Sr 0.08657080361962 0.12063275657924 0.49918361112996 87.620 > 107 120 Sr 0.08657080361962 0.62063275657924 0.49918361112996 87.620 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7616305 0.0000000 0.0049929 0.0000000 2.7612834 0.0000000 0.0049938 0.0000000 2.9049337 -------------------------- Born effective charges -------------------------- 1 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 2 O -2.6023059 0.0000000 0.0240256 0.0000000 -1.2306237 0.0000000 0.0274783 0.0000000 -1.5405092 3 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 4 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 5 O -1.4231719 0.0118299 -0.0148371 0.0019236 -1.8738479 0.4850691 -0.0150292 0.3931443 -2.0071637 6 O -1.4231719 -0.0118299 -0.0148371 -0.0019236 -1.8738479 -0.4850691 -0.0150292 -0.3931443 -2.0071637 7 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 8 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 9 O -1.5743889 -0.5932463 0.0060111 -0.5928308 -2.2617293 0.0110797 0.0113474 0.0124587 -1.5415662 10 O -1.5743889 0.5932463 0.0060111 0.5928308 -2.2617293 -0.0110797 0.0113474 -0.0124587 -1.5415662 11 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 12 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 13 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 14 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 15 O -1.7324298 0.1931171 0.4091737 0.1921014 -1.5155086 -0.2378057 0.3333949 -0.1960684 -2.0640725 16 O -1.7324298 -0.1931171 0.4091737 -0.1921014 -1.5155086 0.2378057 0.3333949 0.1960684 -2.0640725 17 O -1.7634273 0.2052897 -0.4331661 0.1926844 -1.5205837 0.2509674 -0.3477313 0.2010247 -2.0293211 18 O -1.7634273 -0.2052897 -0.4331661 -0.1926844 -1.5205837 -0.2509674 -0.3477313 -0.2010247 -2.0293211 19 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 20 Si 2.6010693 0.0000000 0.0036449 0.0000000 2.8735874 0.0000000 -0.0001371 0.0000000 3.1131373 21 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 22 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 23 Si 2.8060957 0.1180288 -0.0132286 0.1171140 2.6684472 0.0028253 -0.0188976 -0.0061169 3.1325071 24 Si 2.8060957 -0.1180288 -0.0132286 -0.1171140 2.6684472 -0.0028253 -0.0188976 0.0061169 3.1325071 25 Sr 2.6197100 0.2435972 0.1357032 0.2464549 2.3113902 0.0700966 0.0339126 0.0107864 2.4745986 26 Sr 2.6197100 -0.2435972 0.1357032 -0.2464549 2.3113902 -0.0700966 0.0339126 -0.0107864 2.4745986 27 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 28 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 29 Sr 2.3780854 0.1192849 -0.0356398 0.1194043 2.5260454 0.0302309 0.0062889 0.0055212 2.4860031 30 Sr 2.3780854 -0.1192849 -0.0356398 -0.1194043 2.5260454 -0.0302309 0.0062889 -0.0055212 2.4860031 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (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 ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 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 2.580 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.123 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.933 ( 0.000 0.000 0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 15.415 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.530 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 16.471 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 20.361 ( 0.000 0.000 0.000) 0.000 20.393 ( 0.000 0.000 0.000) 0.000 20.416 ( 0.000 0.000 0.000) 0.000 20.478 ( 0.000 0.000 0.000) 0.000 26.667 ( 0.000 0.000 0.000) 0.000 26.668 ( 0.000 0.000 0.000) 0.000 26.737 ( 0.000 0.000 0.000) 0.000 26.875 ( 0.000 0.000 0.000) 0.000 26.926 ( 0.000 0.000 0.000) 0.000 27.041 ( 0.000 0.000 0.000) 0.000 28.357 ( 0.000 0.000 0.000) 0.000 28.368 ( 0.000 0.000 0.000) 0.000 28.424 ( 0.000 0.000 0.000) 0.000 28.430 ( 0.000 0.000 0.000) 0.000 28.450 ( 0.000 0.000 0.000) 0.000 28.492 ( 0.000 0.000 0.000) 0.000 30.756 ( 0.000 0.000 0.000) 0.000 31.011 ( 0.000 0.000 0.000) 0.000 31.070 ( 0.000 0.000 0.000) 0.000 31.184 ( 0.000 0.000 0.000) 0.000 31.239 ( 0.000 0.000 0.000) 0.000 33.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 7.172 -27.356 10.942) 30.324 0.774 ( 19.203 -32.345 -1.847) 37.661 1.165 ( 27.611 -42.996 23.492) 56.239 2.606 ( -0.166 -2.355 -2.602) 3.513 2.711 ( 2.459 -2.340 -1.711) 3.801 3.349 ( -8.046 2.291 -0.007) 8.366 3.465 ( -0.086 3.167 -0.790) 3.265 3.539 ( -4.985 3.740 1.853) 6.501 3.572 ( -2.525 3.776 -0.843) 4.619 3.600 ( -1.690 8.436 -3.739) 9.381 3.616 ( -12.027 3.871 2.069) 12.803 3.746 ( 1.657 6.365 -2.144) 6.918 3.775 ( -1.112 0.736 1.858) 2.287 3.812 ( -0.793 0.105 -0.883) 1.192 3.915 ( 4.492 4.440 -0.968) 6.389 3.997 ( -2.948 0.406 1.287) 3.242 4.071 ( 1.243 1.691 -3.550) 4.124 4.135 ( -2.298 0.165 -1.166) 2.582 4.217 ( 5.034 -1.925 -0.065) 5.390 4.731 ( 2.509 -0.326 -0.300) 2.548 4.824 ( -2.832 -1.485 -0.823) 3.302 4.871 ( 0.072 3.306 -2.761) 4.308 4.901 ( 3.055 -0.726 -2.971) 4.322 4.973 ( 3.196 1.132 3.500) 4.873 5.058 ( -2.548 -1.974 -0.044) 3.223 5.195 ( 2.595 0.525 -6.039) 6.594 5.251 ( 0.218 3.297 1.806) 3.765 5.336 ( 1.852 -4.932 3.294) 6.213 5.388 ( -2.246 -4.993 -5.378) 7.674 5.509 ( 0.633 -2.938 -12.034) 12.404 5.568 ( -0.949 2.835 -15.601) 15.884 5.808 ( 3.734 1.895 6.813) 7.997 5.892 ( 0.290 0.303 17.213) 17.218 6.189 ( 3.162 -2.393 -44.501) 44.678 6.346 ( -2.777 1.976 4.160) 5.378 6.609 ( -11.202 17.107 60.432) 63.798 8.094 ( 1.158 3.428 -3.396) 4.962 8.160 ( -1.764 6.365 4.342) 7.904 8.317 ( -8.525 6.943 -2.458) 11.265 8.423 ( -4.131 1.431 0.195) 4.376 8.531 ( -4.245 7.723 -0.164) 8.814 8.578 ( -2.887 4.925 1.457) 5.892 9.308 ( 0.288 -2.164 -9.036) 9.296 9.365 ( 0.090 -0.814 0.150) 0.833 9.452 ( 2.638 -2.637 10.551) 11.191 9.594 ( 4.680 -9.661 -3.075) 11.167 9.774 ( 0.214 -2.826 -12.941) 13.248 9.906 ( 4.131 -2.891 11.773) 12.807 10.141 ( 4.469 -6.500 0.396) 7.898 10.230 ( 3.812 -10.578 1.355) 11.325 10.453 ( 2.218 -1.281 0.695) 2.654 10.531 ( 1.027 -2.312 -1.076) 2.749 12.058 ( 3.080 -1.099 -0.944) 3.404 12.155 ( 2.139 -1.786 0.853) 2.914 12.278 ( 6.245 -10.741 1.195) 12.482 13.218 ( -2.267 4.198 -0.544) 4.802 13.228 ( -2.543 4.382 -3.363) 6.081 13.239 ( -1.290 -2.481 -16.696) 16.929 13.802 ( -0.661 0.261 -3.571) 3.641 13.926 ( -0.714 2.047 5.838) 6.227 14.159 ( -2.109 2.303 -8.909) 9.441 14.232 ( -1.337 3.209 6.064) 6.989 15.442 ( 0.476 1.414 8.453) 8.584 15.445 ( -1.982 3.172 -0.338) 3.755 15.510 ( -1.202 1.705 1.150) 2.382 15.892 ( 0.658 -3.167 -0.167) 3.239 16.477 ( 0.334 -0.802 -0.052) 0.870 16.515 ( 1.166 -2.254 -0.514) 2.590 20.342 ( -0.811 0.583 -1.522) 1.820 20.438 ( 3.142 -1.203 2.402) 4.134 20.492 ( 0.411 -1.523 -0.643) 1.703 21.083 ( -1.790 0.045 -14.452) 14.563 26.666 ( -0.049 0.092 -0.009) 0.105 26.670 ( 0.080 -0.059 0.009) 0.100 26.774 ( 7.009 5.515 -2.135) 9.171 26.843 ( -3.974 2.087 -1.111) 4.624 26.927 ( 2.688 0.296 2.438) 3.641 27.486 ( -7.199 -3.015 -11.611) 13.990 28.369 ( -0.375 -0.087 -1.183) 1.244 28.399 ( 2.487 -1.100 0.978) 2.890 28.428 ( 1.746 0.084 -0.092) 1.751 28.475 ( 3.554 -1.934 -0.085) 4.047 28.575 ( 1.937 -6.916 0.810) 7.227 29.667 ( 3.676 -16.084 -90.242) 91.737 31.003 ( -0.362 1.159 4.738) 4.891 31.048 ( -6.434 15.019 78.886) 80.561 31.108 ( -0.457 -2.679 4.026) 4.858 31.217 ( 1.970 -2.691 2.067) 3.924 31.272 ( -1.943 4.731 25.156) 25.670 33.449 ( -7.023 11.574 -0.429) 13.544 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 8.413 -26.575 10.603) 29.823 1.488 ( 16.219 -28.909 -1.740) 33.193 2.191 ( 20.889 -32.884 19.286) 43.470 2.613 ( -1.058 -1.126 -5.156) 5.382 2.776 ( 2.229 -2.259 -7.836) 8.455 3.125 ( -12.062 12.556 -2.556) 17.598 3.342 ( -0.835 5.460 -1.270) 5.668 3.389 ( -4.203 6.080 -2.787) 7.899 3.411 ( -4.121 6.473 -0.256) 7.678 3.460 ( -6.969 4.527 5.982) 10.239 3.506 ( -2.327 1.221 0.901) 2.778 3.655 ( 0.778 5.716 -0.764) 5.819 3.715 ( -0.085 3.513 0.937) 3.637 3.795 ( -1.133 0.081 0.187) 1.151 3.898 ( 2.625 2.748 -0.433) 3.825 3.941 ( -6.755 3.199 6.005) 9.588 4.012 ( 2.677 3.194 -8.695) 9.642 4.053 ( -1.647 2.906 -0.319) 3.355 4.317 ( 0.327 -5.096 0.239) 5.112 4.766 ( 2.853 6.648 -3.244) 7.928 4.801 ( 1.067 -3.222 0.473) 3.427 4.855 ( 1.727 -2.703 -0.932) 3.340 4.943 ( 3.672 -1.203 -4.747) 6.120 5.013 ( 2.713 -0.278 2.343) 3.595 5.104 ( -2.053 -4.848 3.775) 6.478 5.133 ( 0.254 3.633 -7.891) 8.691 5.230 ( 1.343 0.659 1.612) 2.199 5.353 ( -2.604 1.370 -9.988) 10.412 5.430 ( -0.614 -4.702 -3.671) 5.997 5.512 ( 4.728 -2.344 -8.149) 9.709 5.595 ( 1.222 -2.985 4.132) 5.242 5.801 ( -0.331 3.883 7.646) 8.581 5.957 ( 0.488 1.528 4.142) 4.442 6.031 ( -2.429 7.882 -2.931) 8.753 6.320 ( -2.169 -2.053 1.823) 3.499 6.402 ( -6.833 11.709 15.585) 20.656 7.991 ( -6.279 5.971 -5.383) 10.201 8.000 ( -5.200 7.727 5.008) 10.575 8.097 ( -2.546 7.007 -2.566) 7.885 8.304 ( -4.176 9.874 0.753) 10.747 8.343 ( -5.090 4.238 -0.649) 6.655 8.492 ( -1.362 2.910 1.847) 3.706 9.331 ( 0.402 -3.518 -8.223) 8.953 9.384 ( 0.285 -0.762 0.469) 0.939 9.583 ( 1.790 -4.089 11.066) 11.933 9.746 ( 0.320 -6.469 -7.161) 9.655 9.800 ( 2.055 -3.126 -6.017) 7.086 10.080 ( 4.927 -5.938 3.973) 8.679 10.332 ( 4.774 -8.574 0.868) 9.852 10.462 ( 5.224 -7.189 0.766) 8.920 10.563 ( 5.706 -7.499 3.727) 10.134 10.599 ( 1.911 -3.792 -0.993) 4.361 12.126 ( 2.722 -3.445 -0.861) 4.474 12.230 ( 2.631 -3.358 1.055) 4.394 12.562 ( 6.560 -10.886 2.122) 12.886 13.070 ( -4.982 7.518 -0.592) 9.038 13.091 ( -2.905 6.027 -0.127) 6.691 13.192 ( -1.616 0.934 -6.950) 7.197 13.773 ( -0.416 0.666 -3.544) 3.630 13.888 ( -1.816 3.642 6.559) 7.719 14.061 ( -1.752 2.367 -7.312) 7.883 14.157 ( -2.973 4.642 3.771) 6.679 15.350 ( -2.676 4.002 -0.370) 4.829 15.444 ( 1.563 1.837 -5.367) 5.884 15.482 ( -0.994 1.000 9.577) 9.680 15.963 ( 0.634 -3.846 -0.389) 3.917 16.516 ( 1.417 -2.680 0.006) 3.032 16.580 ( 1.793 -3.399 -0.725) 3.910 20.315 ( -0.449 1.205 -0.909) 1.574 20.507 ( 2.152 -2.274 2.464) 3.984 20.537 ( 1.511 -2.731 -0.570) 3.172 20.977 ( -2.967 4.003 -7.330) 8.863 26.658 ( -1.141 1.104 -0.231) 1.605 26.672 ( 0.051 -0.027 0.007) 0.059 26.696 ( -2.222 3.801 -1.558) 4.671 26.780 ( 1.009 1.896 -1.341) 2.532 26.982 ( 3.401 -1.266 3.630) 5.133 27.399 ( -4.240 1.292 -8.942) 9.981 28.348 ( -1.720 0.622 -0.163) 1.836 28.425 ( 2.093 0.536 0.353) 2.189 28.515 ( 3.223 -5.829 0.127) 6.662 28.574 ( 5.183 -3.573 0.374) 6.306 28.718 ( 1.041 -6.443 0.888) 6.587 29.601 ( -0.382 -3.689 -36.561) 36.749 31.001 ( -0.275 0.137 0.987) 1.034 31.034 ( -2.766 7.798 37.067) 37.979 31.161 ( -0.628 -2.685 0.611) 2.825 31.274 ( 0.027 1.492 7.463) 7.611 31.356 ( 5.144 -7.727 4.421) 10.282 33.074 ( -11.423 18.772 -1.959) 22.061 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 9.617 -23.713 9.656) 27.350 2.077 ( 11.393 -22.124 -2.061) 24.970 2.579 ( -2.433 2.533 -3.878) 5.232 2.671 ( -0.165 5.856 -10.669) 12.172 2.725 ( 1.841 -2.447 5.732) 6.499 2.795 ( -9.179 6.338 -4.642) 12.082 3.159 ( -4.865 10.844 -4.767) 12.806 3.255 ( -1.614 2.154 6.211) 6.769 3.351 ( -4.568 2.242 5.205) 7.279 3.432 ( -5.223 -1.330 -0.487) 5.412 3.493 ( 3.701 1.988 0.171) 4.205 3.605 ( 1.414 -1.461 1.728) 2.668 3.707 ( 0.492 -1.186 4.707) 4.879 3.787 ( 1.165 2.806 -1.145) 3.247 3.829 ( 3.056 -1.303 -0.267) 3.333 3.892 ( -1.113 1.176 1.141) 1.981 3.983 ( 1.829 3.372 -3.788) 5.391 4.044 ( 4.779 -6.046 0.572) 7.727 4.403 ( -1.071 -4.883 2.397) 5.544 4.681 ( 3.175 5.663 0.864) 6.550 4.850 ( -1.072 -0.247 6.156) 6.253 4.916 ( 3.659 -1.066 -4.564) 5.946 4.980 ( -0.486 -2.146 -6.232) 6.609 5.007 ( -2.018 1.536 0.902) 2.691 5.053 ( 0.885 0.196 -11.753) 11.788 5.188 ( -1.648 -2.366 4.340) 5.211 5.263 ( 1.631 -3.659 -1.186) 4.178 5.286 ( -0.125 1.947 0.510) 2.017 5.443 ( -0.175 4.609 -0.910) 4.701 5.564 ( 2.489 -0.935 0.817) 2.782 5.654 ( -2.054 3.483 -7.471) 8.495 5.707 ( 0.711 3.745 1.959) 4.286 5.789 ( -8.705 -0.011 8.075) 11.873 6.008 ( 4.045 3.330 2.355) 5.744 6.236 ( -3.031 4.723 0.680) 5.653 6.392 ( 1.031 -4.160 2.747) 5.091 7.795 ( -4.267 6.273 -1.887) 7.818 7.832 ( -5.218 5.205 1.206) 7.468 8.009 ( -0.932 1.745 -1.450) 2.453 8.108 ( -2.375 7.607 0.355) 7.977 8.225 ( -3.427 3.611 -0.221) 4.983 8.457 ( -0.527 0.962 0.900) 1.418 9.363 ( 0.397 -2.896 -6.339) 6.981 9.395 ( 0.153 0.397 1.907) 1.954 9.697 ( 0.515 -2.539 8.533) 8.917 9.800 ( 0.151 -3.836 -8.635) 9.450 9.854 ( 1.299 -1.840 -0.233) 2.265 10.187 ( 1.116 -2.367 -0.980) 2.794 10.514 ( 2.169 -6.880 1.094) 7.296 10.619 ( 6.205 -3.484 2.136) 7.430 10.672 ( 1.567 -2.486 -0.889) 3.070 10.774 ( 3.935 -6.751 2.200) 8.118 12.210 ( 2.201 -3.000 -0.500) 3.754 12.326 ( 2.477 -3.754 0.864) 4.580 12.735 ( 1.324 -2.524 1.004) 3.022 12.890 ( -4.544 6.481 0.395) 7.925 13.001 ( 0.158 1.279 0.512) 1.387 13.123 ( -1.871 2.223 -3.139) 4.278 13.747 ( 0.628 0.689 -3.251) 3.382 13.824 ( -2.795 3.118 5.042) 6.554 13.995 ( -0.547 0.827 -4.944) 5.043 14.064 ( -2.366 3.608 2.776) 5.130 15.270 ( -1.551 2.091 -0.327) 2.624 15.397 ( 0.044 1.718 -2.696) 3.197 15.507 ( 0.637 0.064 4.571) 4.615 16.023 ( 0.282 -2.367 -0.364) 2.412 16.587 ( 1.621 -2.920 0.176) 3.345 16.648 ( 1.329 -2.468 -0.580) 2.863 20.287 ( -0.197 1.214 -0.248) 1.255 20.581 ( 1.003 -3.590 0.846) 3.822 20.600 ( 1.984 -1.675 1.161) 2.844 20.840 ( -2.967 4.893 -4.455) 7.252 26.568 ( -2.940 3.009 -0.989) 4.321 26.671 ( -0.009 0.020 -0.058) 0.062 26.673 ( 0.008 0.037 -0.080) 0.089 26.763 ( 0.875 0.906 -0.868) 1.529 27.064 ( 3.633 -2.006 4.826) 6.365 27.291 ( -3.690 2.337 -7.790) 8.931 28.321 ( -1.397 0.418 0.259) 1.481 28.436 ( 1.368 0.386 -0.003) 1.422 28.653 ( 3.795 -5.394 -2.290) 6.981 28.687 ( 3.384 -2.698 3.512) 5.574 28.811 ( -0.449 -3.324 0.667) 3.420 29.506 ( -1.574 0.728 -15.557) 15.653 31.000 ( -0.195 -0.428 -1.390) 1.468 31.020 ( -1.205 4.092 17.983) 18.482 31.195 ( -0.393 -1.534 0.166) 1.592 31.280 ( 0.433 0.378 2.174) 2.249 31.620 ( 7.637 -12.164 5.257) 15.295 32.594 ( -11.909 19.481 -3.792) 23.145 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 -0.000 -0.000) 0.000 2.374 ( 0.000 -0.000 -0.000) 0.000 2.408 ( 0.000 -0.000 0.000) 0.000 2.519 ( 0.000 -0.000 0.000) 0.000 2.651 ( 0.000 -0.000 0.000) 0.000 2.831 ( 0.000 -0.000 -0.000) 0.000 2.949 ( 0.000 -0.000 0.000) 0.000 3.252 ( 0.000 -0.000 0.000) 0.000 3.321 ( 0.000 -0.000 0.000) 0.000 3.411 ( 0.000 0.000 -0.000) 0.000 3.450 ( -0.000 -0.000 0.000) 0.000 3.623 ( 0.000 -0.000 0.000) 0.000 3.754 ( -0.000 -0.000 -0.000) 0.000 3.771 ( 0.000 -0.000 0.000) 0.000 3.825 ( 0.000 -0.000 -0.000) 0.000 3.912 ( -0.000 -0.000 0.000) 0.000 3.943 ( 0.000 -0.000 -0.000) 0.000 4.265 ( 0.000 -0.000 0.000) 0.000 4.547 ( -0.000 0.000 -0.000) 0.000 4.578 ( 0.000 -0.000 0.000) 0.000 4.797 ( 0.000 -0.000 0.000) 0.000 4.925 ( 0.000 -0.000 0.000) 0.000 4.950 ( 0.000 -0.000 -0.000) 0.000 5.012 ( -0.000 -0.000 0.000) 0.000 5.032 ( 0.000 -0.000 0.000) 0.000 5.217 ( 0.000 -0.000 0.000) 0.000 5.267 ( 0.000 -0.000 -0.000) 0.000 5.314 ( 0.000 -0.000 -0.000) 0.000 5.352 ( 0.000 -0.000 -0.000) 0.000 5.478 ( 0.000 -0.000 0.000) 0.000 5.653 ( 0.000 -0.000 0.000) 0.000 5.737 ( 0.000 -0.000 0.000) 0.000 5.769 ( -0.000 -0.000 0.000) 0.000 5.993 ( 0.000 -0.000 0.000) 0.000 6.182 ( 0.000 -0.000 -0.000) 0.000 6.449 ( 0.000 -0.000 0.000) 0.000 7.710 ( 0.000 -0.000 -0.000) 0.000 7.758 ( 0.000 -0.000 0.000) 0.000 7.994 ( 0.000 -0.000 0.000) 0.000 8.017 ( 0.000 -0.000 0.000) 0.000 8.172 ( 0.000 -0.000 -0.000) 0.000 8.449 ( 0.000 -0.000 0.000) 0.000 9.384 ( 0.000 -0.000 -0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 -0.000 0.000) 0.000 9.818 ( 0.000 -0.000 -0.000) 0.000 9.878 ( 0.000 -0.000 0.000) 0.000 10.207 ( 0.000 -0.000 -0.000) 0.000 10.595 ( 0.000 -0.000 0.000) 0.000 10.688 ( 0.000 -0.000 0.000) 0.000 10.702 ( 0.000 -0.000 0.000) 0.000 10.860 ( 0.000 -0.000 0.000) 0.000 12.250 ( 0.000 -0.000 0.000) 0.000 12.384 ( 0.000 -0.000 0.000) 0.000 12.748 ( 0.000 -0.000 0.000) 0.000 12.795 ( 0.000 -0.000 -0.000) 0.000 13.018 ( 0.000 -0.000 0.000) 0.000 13.074 ( 0.000 -0.000 0.000) 0.000 13.741 ( -0.000 -0.000 0.000) 0.000 13.785 ( 0.000 -0.000 -0.000) 0.000 13.977 ( 0.000 -0.000 0.000) 0.000 14.023 ( 0.000 -0.000 0.000) 0.000 15.244 ( 0.000 -0.000 0.000) 0.000 15.376 ( 0.000 -0.000 0.000) 0.000 15.520 ( 0.000 -0.000 0.000) 0.000 16.045 ( 0.000 -0.000 0.000) 0.000 16.626 ( 0.000 -0.000 0.000) 0.000 16.677 ( 0.000 -0.000 0.000) 0.000 20.273 ( 0.000 -0.000 -0.000) 0.000 20.627 ( 0.000 -0.000 -0.000) 0.000 20.643 ( 0.000 -0.000 0.000) 0.000 20.749 ( 0.000 -0.000 -0.000) 0.000 26.523 ( 0.000 -0.000 0.000) 0.000 26.671 ( 0.000 -0.000 -0.000) 0.000 26.672 ( 0.000 -0.000 0.000) 0.000 26.758 ( 0.000 -0.000 0.000) 0.000 27.141 ( 0.000 -0.000 -0.000) 0.000 27.205 ( 0.000 -0.000 0.000) 0.000 28.311 ( 0.000 -0.000 0.000) 0.000 28.439 ( 0.000 -0.000 0.000) 0.000 28.729 ( 0.000 -0.000 -0.000) 0.000 28.733 ( -0.000 0.000 0.000) 0.000 28.837 ( 0.000 -0.000 -0.000) 0.000 29.452 ( 0.000 -0.000 -0.000) 0.000 31.000 ( 0.000 -0.000 -0.000) 0.000 31.014 ( 0.000 0.000 0.000) 0.000 31.207 ( 0.000 -0.000 0.000) 0.000 31.283 ( 0.000 -0.000 0.000) 0.000 31.872 ( 0.000 -0.000 0.000) 0.000 32.255 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 27.686 0.000 18.385) 33.234 0.740 ( 36.666 0.000 -1.855) 36.713 1.278 ( 44.869 0.000 42.172) 61.577 2.591 ( 2.236 0.000 -4.336) 4.878 2.692 ( 2.009 0.000 -3.949) 4.431 3.275 ( -6.492 -0.000 -1.796) 6.736 3.442 ( -14.663 -0.000 2.934) 14.954 3.461 ( -4.242 -0.000 -3.388) 5.429 3.576 ( -2.205 -0.000 5.189) 5.638 3.579 ( -4.030 -0.000 -0.597) 4.074 3.693 ( -2.126 -0.000 -1.587) 2.653 3.734 ( -4.614 -0.000 2.981) 5.493 3.787 ( 0.100 0.000 -1.332) 1.336 3.919 ( 3.539 0.000 -3.280) 4.826 3.948 ( 0.793 0.000 -5.962) 6.014 3.981 ( -3.561 -0.000 3.069) 4.701 4.057 ( -1.297 -0.000 -1.455) 1.949 4.061 ( -6.738 -0.000 -0.956) 6.805 4.287 ( 4.568 0.000 -5.640) 7.258 4.742 ( -5.216 -0.000 -1.901) 5.552 4.749 ( 2.512 0.000 -3.364) 4.198 4.802 ( -4.291 -0.000 -5.660) 7.103 4.987 ( -1.484 -0.000 -5.722) 5.912 4.988 ( 9.276 0.000 -1.755) 9.440 5.044 ( 2.281 0.000 7.462) 7.803 5.213 ( 4.305 0.000 -7.308) 8.481 5.262 ( 2.965 0.000 -4.051) 5.020 5.265 ( -4.302 -0.000 -6.890) 8.123 5.366 ( 4.019 0.000 9.014) 9.870 5.402 ( 0.460 0.000 -24.022) 24.026 5.533 ( 1.440 0.000 -6.854) 7.004 5.887 ( 7.734 0.000 -2.692) 8.189 5.946 ( -3.843 -0.000 17.134) 17.560 6.101 ( 10.395 0.000 -22.026) 24.356 6.353 ( -8.010 -0.000 12.393) 14.756 6.846 ( -32.061 -0.000 56.516) 64.977 8.072 ( -7.564 -0.000 -7.937) 10.964 8.258 ( -2.781 -0.000 -0.229) 2.791 8.321 ( -10.246 -0.000 -2.739) 10.606 8.334 ( -4.226 -0.000 7.895) 8.954 8.513 ( -6.137 -0.000 0.236) 6.142 8.589 ( -6.075 -0.000 0.665) 6.111 9.307 ( 1.227 0.000 -7.182) 7.286 9.365 ( 0.824 0.000 -0.200) 0.847 9.493 ( 1.861 0.000 11.118) 11.273 9.594 ( 12.661 0.000 -5.401) 13.765 9.658 ( 1.438 0.000 -14.029) 14.102 9.976 ( 4.488 0.000 11.616) 12.453 10.172 ( 10.163 0.000 2.987) 10.593 10.183 ( 6.614 0.000 1.710) 6.832 10.458 ( 3.678 0.000 -2.427) 4.406 10.533 ( 2.237 0.000 0.574) 2.310 12.119 ( 2.446 0.000 0.396) 2.478 12.168 ( 3.096 0.000 -0.216) 3.103 12.266 ( 12.130 0.000 1.905) 12.278 13.067 ( 10.249 0.000 -30.877) 32.534 13.221 ( -5.257 -0.000 -0.171) 5.260 13.236 ( -3.374 -0.000 -2.532) 4.219 13.785 ( -0.561 -0.000 -3.163) 3.212 13.962 ( -1.498 -0.000 8.325) 8.459 14.109 ( -3.462 -0.000 -10.328) 10.893 14.260 ( -3.505 -0.000 4.540) 5.736 15.441 ( -3.959 -0.000 -0.529) 3.994 15.497 ( -1.373 -0.000 2.071) 2.484 15.523 ( -3.399 -0.000 12.477) 12.932 15.872 ( 1.237 0.000 -0.357) 1.288 16.475 ( 0.744 0.000 -0.101) 0.751 16.510 ( 2.314 0.000 -0.822) 2.455 20.369 ( 1.122 0.000 -0.707) 1.326 20.448 ( 2.758 0.000 0.942) 2.914 20.479 ( 0.482 0.000 -1.407) 1.487 20.981 ( 4.801 0.000 -20.864) 21.409 26.666 ( -0.088 -0.000 -0.049) 0.101 26.670 ( 0.022 0.000 -0.001) 0.022 26.811 ( -5.198 -0.000 -0.817) 5.262 26.920 ( -0.694 -0.000 0.782) 1.045 27.021 ( -0.898 -0.000 -2.630) 2.779 27.238 ( 8.346 0.000 -19.086) 20.831 28.372 ( 1.642 0.000 -2.139) 2.697 28.433 ( -0.796 -0.000 -0.357) 0.872 28.445 ( 2.572 0.000 -0.318) 2.591 28.455 ( 1.830 0.000 -0.098) 1.833 28.594 ( 7.130 0.000 2.863) 7.684 29.244 ( 28.972 0.000 -74.305) 79.753 31.017 ( 0.785 0.000 0.215) 0.814 31.079 ( 1.198 0.000 -0.963) 1.537 31.203 ( -0.726 -0.000 4.164) 4.226 31.222 ( 2.519 0.000 2.772) 3.746 31.620 ( -44.803 -0.000 109.613) 118.415 33.441 ( -14.169 -0.000 -0.825) 14.193 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 24.540 -8.232 15.027) 29.930 1.305 ( 28.353 -17.497 2.656) 33.423 2.096 ( 36.031 -20.710 31.858) 52.365 2.580 ( 1.279 0.383 -6.293) 6.433 2.721 ( 1.639 -2.090 -9.416) 9.784 3.132 ( -12.497 4.420 -1.944) 13.398 3.321 ( -14.844 0.189 2.969) 15.139 3.371 ( -4.708 2.616 -2.598) 5.980 3.481 ( -6.202 5.538 -0.082) 8.315 3.530 ( -2.191 7.140 -1.284) 7.578 3.563 ( -1.035 3.921 1.815) 4.443 3.714 ( -2.854 0.811 0.540) 3.016 3.768 ( -3.243 -0.228 -0.798) 3.348 3.801 ( -1.187 5.110 -0.477) 5.268 3.895 ( -1.794 3.533 4.299) 5.846 3.999 ( -6.315 2.607 -0.327) 6.840 4.023 ( 2.479 -3.264 -3.270) 5.243 4.039 ( -2.263 -0.223 -0.579) 2.347 4.283 ( 1.574 0.384 -2.774) 3.212 4.723 ( -3.845 -3.090 -11.521) 12.532 4.747 ( -2.067 -3.997 -2.353) 5.078 4.837 ( 2.590 -2.759 -3.342) 5.048 4.929 ( 0.802 -0.439 -7.991) 8.043 5.070 ( 4.311 -0.328 6.020) 7.412 5.112 ( 5.851 1.644 3.755) 7.144 5.183 ( 0.935 3.859 -4.205) 5.783 5.231 ( 1.257 -2.608 -7.906) 8.419 5.259 ( 1.258 -0.165 -13.149) 13.210 5.397 ( 0.145 -6.301 -10.661) 12.384 5.441 ( 4.674 0.938 5.407) 7.208 5.570 ( 3.192 -2.861 1.753) 4.631 5.900 ( -3.433 4.822 10.952) 12.449 5.935 ( -1.733 0.681 -7.460) 7.689 6.158 ( 5.960 -0.073 7.135) 9.297 6.284 ( -7.101 1.530 5.444) 9.078 6.603 ( -18.675 12.249 24.528) 33.172 7.946 ( -7.637 1.571 -6.006) 9.842 8.169 ( -3.067 6.305 -3.025) 7.636 8.192 ( -4.407 11.322 4.359) 12.908 8.246 ( -10.711 -4.336 0.683) 11.575 8.387 ( -8.758 5.893 -0.786) 10.586 8.484 ( -6.367 2.858 1.561) 7.152 9.296 ( 3.896 -0.138 -6.687) 7.741 9.384 ( 1.894 -0.626 0.331) 2.022 9.584 ( 1.533 -2.675 11.069) 11.490 9.652 ( 3.840 -3.194 -11.252) 12.311 9.753 ( 7.628 -3.947 -5.977) 10.464 10.079 ( 4.764 -1.715 7.080) 8.704 10.304 ( 8.722 -3.938 2.741) 9.955 10.374 ( 7.670 -7.943 1.319) 11.121 10.539 ( 5.400 -4.607 -0.863) 7.150 10.580 ( 4.902 -1.711 1.361) 5.367 12.137 ( 5.407 -0.134 -0.885) 5.481 12.234 ( 4.102 -1.702 1.379) 4.650 12.487 ( 11.193 -7.782 2.918) 13.942 13.083 ( -1.201 -3.553 -13.414) 13.928 13.123 ( -6.914 3.747 -0.255) 7.869 13.139 ( -4.798 4.729 -1.290) 6.859 13.769 ( -0.064 0.251 -1.959) 1.976 13.951 ( -2.713 2.728 7.345) 8.292 14.025 ( -3.360 0.546 -8.855) 9.486 14.202 ( -4.886 3.040 3.144) 6.558 15.371 ( -4.310 2.431 -0.638) 4.989 15.463 ( -0.772 1.502 -3.799) 4.157 15.538 ( -0.456 1.387 10.840) 10.937 15.910 ( 1.218 -2.860 -0.452) 3.141 16.499 ( 2.169 -1.352 -0.056) 2.557 16.553 ( 3.069 -2.018 -1.012) 3.810 20.357 ( 2.147 2.125 -0.658) 3.092 20.488 ( 0.298 -1.247 0.126) 1.288 20.511 ( 2.775 -2.516 0.128) 3.748 20.946 ( -1.713 0.091 -10.717) 10.854 26.662 ( -0.540 0.372 -0.081) 0.661 26.671 ( 0.019 -0.068 -0.013) 0.072 26.723 ( -5.054 2.957 -0.393) 5.869 26.862 ( 2.491 5.495 -2.903) 6.696 26.986 ( 0.030 -1.371 2.270) 2.653 27.297 ( -0.513 -2.900 -12.621) 12.960 28.381 ( 1.702 1.429 0.321) 2.246 28.438 ( 1.418 -2.260 -0.121) 2.671 28.479 ( 2.783 -3.238 -2.891) 5.156 28.546 ( 4.192 -3.120 1.031) 5.326 28.680 ( 6.166 -1.364 2.311) 6.724 29.334 ( 8.629 -8.811 -40.802) 42.625 31.006 ( 0.817 1.596 -1.496) 2.335 31.123 ( 2.072 -2.454 0.185) 3.217 31.205 ( -0.298 1.432 5.763) 5.946 31.305 ( 3.950 -4.457 3.946) 7.144 31.475 ( -17.982 11.589 57.100) 60.976 33.171 ( -18.585 10.196 -2.462) 21.341 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 18.322 -16.333 13.526) 28.025 1.880 ( 20.076 -17.752 1.990) 26.873 2.563 ( -0.497 0.254 -5.058) 5.089 2.640 ( -2.407 -0.323 -13.754) 13.966 2.744 ( 8.724 -1.605 5.784) 10.589 2.888 ( -2.828 8.974 -1.117) 9.476 3.162 ( -11.206 -0.683 1.941) 11.394 3.264 ( -5.470 4.141 1.355) 6.993 3.340 ( -5.471 0.181 0.440) 5.491 3.479 ( -1.447 6.516 7.544) 10.073 3.513 ( 2.378 -2.977 6.905) 7.887 3.644 ( 0.502 4.733 -4.085) 6.272 3.704 ( -1.321 -0.058 -0.096) 1.326 3.784 ( -1.328 -2.734 -1.936) 3.603 3.858 ( -2.230 3.628 1.715) 4.591 3.900 ( -1.314 0.837 3.525) 3.854 4.010 ( -0.378 -0.869 0.425) 1.039 4.088 ( 5.186 0.583 -2.321) 5.711 4.306 ( -0.653 -3.872 0.684) 3.985 4.685 ( -2.745 -3.102 -10.306) 11.107 4.814 ( -2.313 -5.702 -2.338) 6.582 4.850 ( 0.389 -0.376 -8.470) 8.487 4.952 ( 3.157 -0.739 -8.403) 9.007 5.074 ( 1.282 5.511 1.283) 5.802 5.112 ( 3.474 3.630 2.351) 5.547 5.185 ( 1.163 -1.012 11.217) 11.322 5.234 ( 2.437 -0.571 -3.746) 4.506 5.281 ( 3.033 -1.579 -9.168) 9.785 5.458 ( -0.115 -1.254 -5.682) 5.819 5.487 ( 0.533 -4.911 0.326) 4.951 5.666 ( 1.657 -0.237 1.359) 2.156 5.755 ( -8.991 3.622 6.332) 11.578 5.837 ( -1.254 6.826 0.546) 6.962 6.150 ( -0.879 5.868 7.447) 9.522 6.236 ( -9.372 3.452 3.371) 10.541 6.416 ( 4.017 0.514 4.438) 6.008 7.821 ( -4.541 2.752 -4.682) 7.080 7.952 ( -3.655 11.518 3.591) 12.606 8.025 ( -3.747 4.324 -1.702) 5.969 8.180 ( -7.316 6.574 -1.060) 9.893 8.210 ( -7.606 -1.639 0.592) 7.803 8.394 ( -7.496 -0.128 1.343) 7.617 9.325 ( 3.863 -1.145 -6.104) 7.314 9.419 ( 2.546 -0.128 1.737) 3.085 9.673 ( 0.936 -3.215 -0.810) 3.445 9.731 ( 3.017 -4.043 1.367) 5.227 9.844 ( 4.820 -1.657 -3.980) 6.467 10.165 ( 1.791 -1.480 3.914) 4.551 10.466 ( 6.594 -4.183 1.947) 8.048 10.564 ( 2.502 -6.943 -3.543) 8.186 10.663 ( 6.550 -3.528 -0.214) 7.443 10.739 ( 7.093 -5.250 4.178) 9.764 12.220 ( 6.979 -1.740 -0.694) 7.226 12.321 ( 5.369 -2.226 1.250) 5.945 12.703 ( 4.217 -4.629 2.756) 6.841 12.956 ( -5.229 6.616 -1.031) 8.496 13.005 ( -5.256 2.886 -0.632) 6.029 13.055 ( -6.856 -2.121 -4.397) 8.417 13.758 ( 1.032 0.695 -1.659) 2.074 13.878 ( -3.587 3.852 4.539) 6.951 13.964 ( -2.178 -0.002 -5.623) 6.030 14.105 ( -4.494 3.383 3.102) 6.423 15.287 ( -2.581 2.243 -0.593) 3.470 15.411 ( -0.706 1.581 -3.491) 3.897 15.547 ( 0.254 1.530 5.980) 6.178 15.978 ( 1.034 -3.314 -0.044) 3.472 16.564 ( 3.165 -2.515 0.177) 4.046 16.623 ( 2.909 -2.523 -0.832) 3.939 20.334 ( 1.907 2.714 -0.109) 3.319 20.523 ( -0.122 -2.705 -0.751) 2.810 20.590 ( 2.414 -2.774 1.479) 3.963 20.859 ( -2.973 2.796 -5.711) 7.019 26.599 ( -2.922 3.506 0.418) 4.583 26.670 ( -0.273 0.061 -0.133) 0.309 26.675 ( 0.033 0.142 0.122) 0.190 26.800 ( 1.377 2.871 -2.088) 3.808 27.040 ( -1.454 -3.810 2.444) 4.755 27.249 ( -1.257 1.045 -8.990) 9.138 28.359 ( 2.472 2.721 0.550) 3.717 28.507 ( 4.596 0.637 -0.801) 4.709 28.572 ( 2.786 -6.341 -1.772) 7.149 28.664 ( 4.765 -4.249 0.892) 6.446 28.764 ( 1.190 -2.162 2.564) 3.558 29.363 ( -0.970 -5.019 -21.296) 21.901 30.974 ( 0.266 1.102 -4.802) 4.935 31.170 ( 0.420 2.832 8.809) 9.263 31.203 ( 1.170 0.135 5.990) 6.105 31.361 ( -4.616 6.182 21.969) 23.284 31.501 ( 5.050 -10.166 4.862) 12.349 32.731 ( -18.710 15.220 -4.898) 24.611 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 13.272 -17.374 11.116) 24.527 2.298 ( 7.016 -10.132 0.910) 12.357 2.426 ( -6.276 5.848 -5.847) 10.381 2.540 ( -0.046 2.817 -9.337) 9.753 2.677 ( 1.550 1.178 -3.934) 4.389 2.823 ( -0.427 1.834 4.960) 5.306 3.029 ( -2.561 7.358 -4.207) 8.854 3.230 ( -3.853 -1.233 8.294) 9.228 3.290 ( -5.654 -1.876 -2.546) 6.479 3.379 ( -1.732 4.528 7.345) 8.800 3.532 ( 0.770 4.312 -1.409) 4.602 3.615 ( -0.358 -0.577 0.603) 0.908 3.714 ( -0.939 0.345 -5.201) 5.296 3.808 ( -0.166 -1.303 2.547) 2.865 3.845 ( 2.198 -0.330 6.306) 6.686 3.897 ( -3.589 -1.030 0.174) 3.738 4.004 ( 4.325 5.860 -6.710) 9.903 4.221 ( 8.173 -7.657 0.275) 11.203 4.434 ( 0.398 -8.193 4.318) 9.270 4.717 ( -2.836 9.314 -8.053) 12.635 4.757 ( -0.175 -6.455 0.507) 6.477 4.853 ( -2.638 -4.422 -9.019) 10.385 4.947 ( 2.921 1.326 -1.464) 3.526 5.009 ( 0.306 1.357 -1.784) 2.262 5.096 ( 3.064 4.745 3.299) 6.541 5.169 ( -2.282 1.776 4.312) 5.191 5.248 ( -2.593 0.392 -5.444) 6.043 5.336 ( 2.106 -2.918 6.886) 7.770 5.415 ( -2.137 3.134 -3.071) 4.880 5.472 ( -3.983 1.689 -1.207) 4.491 5.649 ( 3.033 -2.104 3.463) 5.062 5.714 ( -3.787 2.749 1.249) 4.844 5.798 ( 3.035 -1.059 2.165) 3.876 6.042 ( -3.636 4.659 2.055) 6.257 6.149 ( -1.738 -0.416 -2.162) 2.805 6.495 ( 5.301 0.859 1.384) 5.546 7.745 ( 2.004 1.950 -4.286) 5.118 7.788 ( -1.554 4.650 4.078) 6.377 7.944 ( -4.241 -0.525 -0.183) 4.277 8.032 ( -4.344 2.864 -0.322) 5.213 8.171 ( -2.431 -0.311 0.576) 2.517 8.349 ( -8.973 -3.740 0.095) 9.722 9.358 ( 2.754 -1.176 -4.411) 5.331 9.447 ( 2.970 1.368 3.302) 4.647 9.714 ( 0.937 -1.725 -5.680) 6.009 9.835 ( 1.940 -2.203 7.792) 8.327 9.881 ( 2.891 -0.169 -4.371) 5.243 10.207 ( 0.014 -0.457 5.063) 5.083 10.574 ( 2.041 -2.033 -2.029) 3.524 10.649 ( -0.063 -3.680 -1.878) 4.133 10.756 ( 5.845 1.431 -1.403) 6.179 10.863 ( 2.041 -1.474 2.172) 3.325 12.301 ( 6.781 1.273 0.008) 6.899 12.416 ( 5.815 -0.357 0.350) 5.837 12.742 ( -0.756 0.151 0.471) 0.903 12.809 ( -3.555 3.651 -0.017) 5.096 12.962 ( -5.175 -2.734 -0.332) 5.862 13.008 ( -6.781 -2.732 -0.792) 7.353 13.753 ( 1.859 0.885 -2.396) 3.160 13.806 ( -2.250 2.246 4.342) 5.382 13.943 ( -0.509 -1.758 -4.756) 5.096 14.033 ( -3.421 1.609 3.763) 5.335 15.245 ( -0.516 0.504 -0.264) 0.768 15.374 ( -0.423 0.518 -1.769) 1.891 15.534 ( -0.448 1.577 1.651) 2.327 16.035 ( 0.838 -1.742 0.436) 1.981 16.629 ( 2.145 -0.999 0.175) 2.373 16.678 ( 1.760 -0.936 -0.299) 2.016 20.305 ( 1.640 2.274 0.162) 2.809 20.564 ( -1.423 -2.844 -1.903) 3.706 20.664 ( 1.834 -1.858 3.143) 4.086 20.763 ( -1.353 2.713 -3.012) 4.274 26.542 ( 0.320 1.485 1.528) 2.155 26.668 ( -0.130 -0.150 -0.023) 0.200 26.674 ( 0.061 0.120 0.052) 0.145 26.766 ( -0.051 1.161 -1.064) 1.576 27.073 ( -5.175 -2.552 -3.091) 6.546 27.212 ( 1.635 -0.386 -0.367) 1.720 28.351 ( 3.698 2.010 0.774) 4.280 28.514 ( 5.916 3.549 -1.856) 7.144 28.690 ( 2.233 -3.606 -2.851) 5.110 28.749 ( -0.432 -0.282 3.559) 3.597 28.808 ( 0.100 -2.366 0.339) 2.392 29.361 ( -3.789 -5.630 -6.945) 9.710 30.936 ( -0.110 0.285 -8.751) 8.756 31.129 ( -1.736 4.830 13.152) 14.118 31.247 ( 4.199 1.103 3.407) 5.519 31.318 ( -0.129 2.873 5.789) 6.464 31.777 ( 3.368 -11.511 2.725) 12.299 32.288 ( -12.882 10.761 -5.299) 17.602 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -7.352 18.016 -4.684) 20.014 2.376 ( -1.825 13.643 3.648) 14.239 2.530 ( 3.539 -7.066 6.149) 10.013 2.619 ( 5.022 -5.377 2.828) 7.883 2.656 ( 3.324 -7.054 1.821) 8.008 2.833 ( 2.550 -0.526 -2.252) 3.442 3.039 ( 6.817 -8.924 -0.911) 11.267 3.206 ( -2.005 0.730 -4.261) 4.765 3.319 ( -6.565 -6.490 8.412) 12.489 3.394 ( 2.711 -3.056 -0.936) 4.191 3.486 ( 2.089 1.220 -2.433) 3.431 3.599 ( -1.844 1.104 -2.417) 3.234 3.661 ( -2.526 -0.359 -5.573) 6.129 3.807 ( -0.922 4.622 1.838) 5.059 3.859 ( -3.130 0.956 -2.458) 4.093 3.878 ( 1.143 0.923 9.352) 9.466 3.986 ( 6.062 -0.341 -2.631) 6.617 4.181 ( -7.844 17.729 -3.428) 19.687 4.426 ( -1.676 -0.212 -3.221) 3.638 4.531 ( -2.177 -5.053 -3.036) 6.284 4.848 ( 2.848 -0.186 -10.314) 10.701 4.930 ( -3.138 -0.709 0.437) 3.247 4.964 ( -1.431 -0.605 8.025) 8.174 5.036 ( 1.325 1.467 0.681) 2.091 5.109 ( 2.198 -8.304 -0.477) 8.603 5.147 ( -4.320 2.031 9.200) 10.365 5.209 ( -0.348 -0.816 -10.670) 10.707 5.342 ( 2.209 3.044 4.152) 5.602 5.388 ( 5.202 -1.441 1.385) 5.572 5.534 ( -0.569 -5.784 6.137) 8.453 5.644 ( -3.885 0.234 0.547) 3.930 5.692 ( 2.609 0.880 -0.817) 2.872 5.832 ( 3.805 0.709 -4.337) 5.813 5.955 ( -5.185 1.671 1.777) 5.730 6.167 ( -0.055 -3.077 -0.250) 3.087 6.484 ( 3.175 4.692 -1.670) 5.906 7.773 ( 6.511 -2.420 -1.793) 7.174 7.807 ( 3.336 -3.366 2.001) 5.144 7.966 ( -1.231 -4.401 -0.738) 4.629 7.990 ( -3.480 -2.990 1.977) 4.996 8.195 ( 1.299 -2.849 0.542) 3.178 8.337 ( -9.225 -5.605 -0.939) 10.835 9.384 ( 1.453 -0.654 -1.980) 2.541 9.458 ( 3.235 2.866 4.628) 6.333 9.697 ( -0.419 1.390 -6.678) 6.834 9.874 ( -0.088 1.165 0.491) 1.267 9.903 ( 3.805 1.170 4.692) 6.154 10.219 ( -1.167 1.556 5.962) 6.272 10.553 ( -3.158 1.086 -6.164) 7.010 10.675 ( 0.515 1.745 -0.024) 1.819 10.704 ( 1.433 7.227 -0.678) 7.399 10.843 ( -1.914 4.022 -0.545) 4.487 12.295 ( 3.689 5.469 0.490) 6.615 12.402 ( 1.629 5.753 -0.569) 6.006 12.745 ( -0.541 -0.171 0.061) 0.571 12.821 ( 3.090 -5.424 -0.740) 6.287 12.938 ( -5.566 -2.404 -0.888) 6.127 13.038 ( -4.595 -6.255 1.507) 7.906 13.747 ( 0.121 -0.093 1.672) 1.679 13.800 ( 1.353 -0.538 -1.398) 2.018 13.976 ( 0.950 -2.865 -1.970) 3.605 14.018 ( -1.699 -1.845 2.848) 3.795 15.253 ( 0.641 -1.212 0.056) 1.372 15.374 ( -0.237 -1.274 0.373) 1.349 15.498 ( -1.004 1.549 -1.677) 2.494 16.054 ( 0.466 0.679 0.571) 1.002 16.628 ( 0.169 2.425 -0.094) 2.433 16.683 ( 0.362 1.621 0.266) 1.682 20.299 ( 2.211 0.688 0.595) 2.391 20.557 ( -3.397 -0.262 -3.007) 4.545 20.653 ( -0.562 3.558 1.142) 3.779 20.795 ( 2.522 -4.710 1.787) 5.634 26.569 ( 3.336 -1.338 2.312) 4.274 26.671 ( -0.067 -0.122 0.059) 0.152 26.672 ( -0.011 0.067 0.094) 0.116 26.748 ( -1.103 -0.105 -0.353) 1.163 27.014 ( -5.162 0.185 -4.812) 7.059 27.282 ( 1.464 -3.793 3.920) 5.648 28.369 ( 5.209 1.560 0.723) 5.485 28.496 ( 5.290 4.053 -1.623) 6.859 28.670 ( -4.485 2.221 -1.975) 5.380 28.713 ( -2.509 4.347 1.631) 5.278 28.839 ( 0.410 -0.790 -0.976) 1.321 29.462 ( -1.208 -8.902 5.126) 10.343 30.891 ( -0.323 -0.434 -13.369) 13.380 31.083 ( -0.805 3.799 8.184) 9.059 31.269 ( 4.731 3.177 3.337) 6.604 31.292 ( 0.254 1.919 1.203) 2.279 31.708 ( -10.121 10.232 -5.910) 15.558 32.350 ( 4.999 -18.562 2.017) 19.329 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -3.136 25.056 -3.625) 25.510 1.934 ( -4.317 30.086 2.897) 30.532 2.535 ( -3.198 19.082 -6.727) 20.484 2.654 ( 2.312 -1.979 2.723) 4.084 2.826 ( -0.029 3.405 6.602) 7.428 2.970 ( 3.451 -12.023 0.998) 12.549 3.240 ( 4.978 -6.969 -0.285) 8.569 3.284 ( 1.276 -10.499 2.294) 10.822 3.391 ( -1.983 4.345 -2.704) 5.488 3.420 ( -2.444 -5.111 3.751) 6.795 3.479 ( 0.997 -3.349 -7.741) 8.493 3.563 ( 1.137 -4.196 2.912) 5.232 3.661 ( 0.838 -4.561 -5.795) 7.422 3.753 ( -2.725 -1.287 2.554) 3.950 3.780 ( -1.794 -2.022 -0.589) 2.767 3.934 ( 2.598 -1.267 0.288) 2.905 4.001 ( -0.961 -1.608 0.829) 2.049 4.038 ( 3.044 0.479 1.910) 3.625 4.396 ( -1.080 3.401 -0.904) 3.681 4.608 ( -1.171 -6.608 -1.848) 6.961 4.835 ( 2.881 0.776 -5.628) 6.370 4.910 ( -3.415 -0.763 1.750) 3.913 4.944 ( -1.375 4.612 9.888) 10.997 5.028 ( 0.169 1.600 -0.357) 1.648 5.085 ( -4.124 -0.135 -4.753) 6.294 5.142 ( -2.638 0.880 -2.292) 3.604 5.188 ( -0.607 -1.396 0.564) 1.623 5.381 ( 3.226 -1.242 3.291) 4.773 5.488 ( 0.983 -1.857 3.041) 3.696 5.542 ( -0.819 1.388 4.034) 4.344 5.624 ( 1.449 3.589 -3.942) 5.524 5.751 ( 0.017 1.107 0.970) 1.471 5.875 ( -4.823 0.404 -1.891) 5.196 5.930 ( 5.412 -12.469 -1.533) 13.679 6.242 ( -0.031 -5.042 -1.158) 5.174 6.416 ( 2.351 4.603 -1.337) 5.339 7.918 ( 7.530 -5.527 -4.501) 10.369 7.969 ( 4.697 -7.435 4.231) 9.759 8.009 ( -1.609 -4.889 2.553) 5.746 8.126 ( 1.023 -11.217 -0.446) 11.273 8.290 ( 1.709 -5.373 0.499) 5.660 8.352 ( -7.685 -6.689 -1.712) 10.331 9.392 ( 0.383 0.283 -0.250) 0.538 9.452 ( 3.222 3.810 5.904) 7.730 9.602 ( -2.175 4.580 -7.332) 8.914 9.843 ( 0.298 2.294 -0.773) 2.439 9.915 ( 3.653 4.482 7.707) 9.635 10.133 ( -4.888 7.260 -0.199) 8.755 10.467 ( -1.340 3.299 -2.174) 4.172 10.513 ( -1.245 10.874 -1.482) 11.045 10.641 ( -0.869 3.618 1.143) 3.893 10.692 ( -2.462 9.456 -2.037) 9.982 12.209 ( 0.843 6.430 0.405) 6.498 12.295 ( -0.359 5.966 -0.443) 5.993 12.678 ( -2.360 7.196 -0.867) 7.623 12.980 ( 4.168 -7.680 -0.908) 8.785 12.986 ( -0.550 -6.938 -0.082) 6.961 13.127 ( -2.762 -6.932 2.383) 7.833 13.780 ( 0.420 -1.377 4.750) 4.963 13.821 ( 0.849 -2.165 -5.375) 5.856 14.034 ( 0.134 -3.562 2.358) 4.274 14.086 ( 1.113 -4.601 -0.971) 4.832 15.301 ( 0.966 -3.352 0.128) 3.491 15.413 ( -0.616 -2.633 2.977) 4.022 15.454 ( -0.260 1.073 -4.410) 4.547 16.025 ( 0.023 3.041 0.334) 3.059 16.564 ( -0.504 3.866 -0.052) 3.900 16.635 ( -0.420 3.637 0.308) 3.674 20.328 ( 2.787 -0.376 1.250) 3.077 20.494 ( -3.785 1.523 -2.624) 4.850 20.588 ( -0.359 3.574 0.496) 3.626 20.927 ( 1.867 -6.221 2.469) 6.948 26.652 ( 2.661 -1.766 1.094) 3.376 26.670 ( 0.027 -0.137 0.167) 0.218 26.679 ( 0.655 -0.828 0.909) 1.394 26.751 ( -0.604 -1.861 0.133) 1.961 26.944 ( -3.731 0.750 -2.921) 4.797 27.387 ( 0.980 -4.922 3.273) 5.992 28.402 ( 5.972 1.783 0.606) 6.262 28.470 ( 4.204 3.794 -0.762) 5.714 28.557 ( -7.170 2.549 -0.273) 7.615 28.578 ( -4.061 6.183 -0.780) 7.438 28.815 ( 0.227 4.011 -0.105) 4.019 29.658 ( 0.805 -8.887 12.507) 15.364 30.833 ( -0.502 -0.441 -17.281) 17.294 31.045 ( -0.151 2.566 3.086) 4.016 31.258 ( 4.227 4.945 3.646) 7.458 31.267 ( 0.059 1.225 -0.461) 1.310 31.419 ( -7.287 8.471 -5.310) 12.372 32.788 ( 4.609 -22.827 1.234) 23.321 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 29.222 -0.000) 29.222 1.328 ( -0.000 35.807 -0.000) 35.807 1.835 ( -0.000 47.561 -0.000) 47.561 2.675 ( -0.000 2.698 -0.000) 2.698 2.741 ( -0.000 3.131 -0.000) 3.131 3.288 ( 0.000 -14.406 0.000) 14.406 3.356 ( 0.000 -8.849 0.000) 8.849 3.384 ( 0.000 -3.787 0.000) 3.787 3.474 ( 0.000 -8.227 0.000) 8.227 3.518 ( 0.000 -4.788 0.000) 4.788 3.565 ( 0.000 -6.086 0.000) 6.086 3.719 ( 0.000 -9.663 0.000) 9.663 3.734 ( 0.000 -2.117 0.000) 2.117 3.751 ( 0.000 -2.110 0.000) 2.110 3.824 ( 0.000 -0.998 0.000) 0.998 4.014 ( -0.000 0.816 -0.000) 0.816 4.054 ( 0.000 -0.890 0.000) 0.890 4.060 ( 0.000 -8.930 0.000) 8.930 4.296 ( -0.000 6.558 -0.000) 6.558 4.691 ( 0.000 -3.674 0.000) 3.674 4.852 ( -0.000 1.084 -0.000) 1.084 4.856 ( -0.000 1.555 -0.000) 1.555 4.894 ( -0.000 1.114 -0.000) 1.114 4.963 ( -0.000 2.464 -0.000) 2.464 5.095 ( -0.000 0.950 -0.000) 0.950 5.137 ( 0.000 -5.548 0.000) 5.548 5.196 ( -0.000 0.155 -0.000) 0.155 5.452 ( -0.000 6.867 -0.000) 6.867 5.495 ( 0.000 -7.996 0.000) 7.996 5.524 ( -0.000 6.754 -0.000) 6.754 5.550 ( -0.000 0.136 -0.000) 0.136 5.733 ( 0.000 -1.473 0.000) 1.473 5.842 ( 0.000 -0.464 0.000) 0.464 6.207 ( 0.000 -12.896 0.000) 12.896 6.300 ( 0.000 -2.226 0.000) 2.226 6.387 ( 0.000 -0.686 0.000) 0.686 8.041 ( 0.000 -3.052 0.000) 3.052 8.061 ( 0.000 -6.341 0.000) 6.341 8.216 ( 0.000 -11.069 0.000) 11.069 8.358 ( 0.000 -12.814 0.000) 12.814 8.378 ( 0.000 -4.221 0.000) 4.221 8.439 ( 0.000 -8.262 0.000) 8.262 9.382 ( -0.000 0.979 -0.000) 0.979 9.440 ( -0.000 2.833 -0.000) 2.833 9.452 ( -0.000 6.696 -0.000) 6.696 9.776 ( -0.000 7.348 -0.000) 7.348 9.895 ( -0.000 4.064 -0.000) 4.064 9.902 ( -0.000 9.234 -0.000) 9.234 10.282 ( -0.000 11.525 -0.000) 11.525 10.407 ( -0.000 7.927 -0.000) 7.927 10.487 ( -0.000 6.968 -0.000) 6.968 10.579 ( -0.000 3.383 -0.000) 3.383 12.110 ( -0.000 5.016 -0.000) 5.016 12.200 ( -0.000 4.289 -0.000) 4.289 12.469 ( -0.000 13.381 -0.000) 13.381 13.119 ( 0.000 -7.408 0.000) 7.408 13.138 ( 0.000 -7.467 0.000) 7.467 13.230 ( 0.000 -5.223 0.000) 5.223 13.810 ( 0.000 -0.387 0.000) 0.387 13.865 ( 0.000 -3.529 0.000) 3.529 14.122 ( 0.000 -5.147 0.000) 5.147 14.162 ( 0.000 -3.504 0.000) 3.504 15.382 ( 0.000 -4.716 0.000) 4.716 15.424 ( -0.000 0.699 -0.000) 0.699 15.471 ( 0.000 -2.983 0.000) 2.983 15.959 ( -0.000 4.270 -0.000) 4.270 16.503 ( -0.000 2.529 -0.000) 2.529 16.565 ( -0.000 3.767 -0.000) 3.767 20.359 ( 0.000 -0.339 0.000) 0.339 20.430 ( -0.000 1.833 -0.000) 1.833 20.530 ( -0.000 2.822 -0.000) 2.822 21.051 ( 0.000 -5.714 0.000) 5.714 26.665 ( 0.000 -0.064 0.000) 0.064 26.671 ( -0.000 0.084 -0.000) 0.084 26.713 ( 0.000 -1.186 0.000) 1.186 26.821 ( 0.000 -4.567 0.000) 4.567 26.898 ( -0.000 1.047 -0.000) 1.047 27.491 ( 0.000 -4.878 0.000) 4.878 28.406 ( -0.000 2.374 -0.000) 2.374 28.442 ( -0.000 4.742 -0.000) 4.742 28.444 ( -0.000 2.658 -0.000) 2.658 28.475 ( -0.000 1.173 -0.000) 1.173 28.707 ( -0.000 7.925 -0.000) 7.925 29.856 ( 0.000 -7.750 0.000) 7.750 30.772 ( -0.000 0.945 -0.000) 0.945 31.017 ( -0.000 1.230 -0.000) 1.230 31.194 ( -0.000 6.127 -0.000) 6.127 31.246 ( -0.000 1.252 -0.000) 1.252 31.259 ( -0.000 3.390 -0.000) 3.390 33.201 ( 0.000 -20.006 0.000) 20.006 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 25.833 0.000 14.801) 29.772 1.442 ( 32.541 0.000 0.577) 32.546 2.452 ( 36.603 0.000 33.787) 49.813 2.583 ( 3.583 0.000 -7.511) 8.322 2.676 ( 1.117 0.000 -10.464) 10.524 3.000 ( -16.238 -0.000 -8.171) 18.178 3.210 ( -10.641 -0.000 6.611) 12.528 3.322 ( -8.542 -0.000 0.324) 8.548 3.473 ( -7.436 -0.000 2.686) 7.906 3.564 ( -2.061 -0.000 1.047) 2.312 3.600 ( -2.762 -0.000 -6.655) 7.205 3.626 ( -7.522 -0.000 6.207) 9.752 3.780 ( 0.781 0.000 -1.719) 1.888 3.841 ( -7.564 -0.000 -1.185) 7.656 3.853 ( -9.024 -0.000 -1.844) 9.211 3.929 ( -0.899 -0.000 -0.643) 1.105 4.020 ( 3.291 0.000 8.075) 8.720 4.040 ( -0.362 -0.000 -3.680) 3.698 4.283 ( -0.578 -0.000 -4.541) 4.577 4.608 ( -3.717 -0.000 -12.686) 13.220 4.640 ( -3.729 -0.000 -2.360) 4.413 4.826 ( 4.875 0.000 -2.426) 5.445 4.885 ( 0.334 0.000 -10.812) 10.817 5.128 ( -3.943 -0.000 -3.111) 5.022 5.177 ( 6.072 0.000 2.418) 6.535 5.186 ( 9.764 0.000 -2.751) 10.145 5.248 ( 4.812 0.000 -6.682) 8.234 5.255 ( 2.377 0.000 -12.402) 12.628 5.308 ( 0.551 0.000 -3.432) 3.476 5.545 ( 6.077 0.000 7.957) 10.012 5.582 ( 3.822 0.000 1.415) 4.076 5.910 ( -0.557 -0.000 -5.928) 5.955 5.953 ( -8.046 -0.000 15.600) 17.553 6.218 ( 3.632 0.000 6.404) 7.362 6.243 ( -7.419 -0.000 4.244) 8.547 6.576 ( -21.608 -0.000 16.732) 27.328 7.858 ( -7.689 -0.000 -4.257) 8.789 8.054 ( -12.371 -0.000 -1.663) 12.483 8.186 ( -3.407 -0.000 -2.698) 4.346 8.259 ( -7.557 -0.000 2.806) 8.061 8.342 ( -9.618 -0.000 -0.861) 9.656 8.476 ( -4.628 -0.000 1.095) 4.756 9.316 ( 4.193 0.000 -4.741) 6.330 9.403 ( 2.574 0.000 1.063) 2.785 9.607 ( 3.614 0.000 -12.226) 12.749 9.624 ( 2.289 0.000 9.848) 10.111 9.793 ( 10.775 0.000 -7.704) 13.246 10.155 ( 4.436 0.000 9.812) 10.768 10.360 ( 8.201 0.000 2.365) 8.535 10.400 ( 7.875 0.000 -1.547) 8.025 10.560 ( 8.527 0.000 1.427) 8.646 10.615 ( 4.779 0.000 2.093) 5.218 12.191 ( 4.059 0.000 0.417) 4.080 12.252 ( 5.089 0.000 -0.218) 5.093 12.564 ( 12.359 0.000 4.127) 13.030 12.984 ( -3.472 -0.000 -7.732) 8.476 13.082 ( -7.521 -0.000 -0.142) 7.523 13.134 ( -3.088 -0.000 -4.699) 5.623 13.767 ( 0.700 0.000 -1.114) 1.315 13.949 ( -3.953 -0.000 -9.701) 10.475 13.980 ( -3.560 -0.000 8.241) 8.977 14.183 ( -5.919 -0.000 1.917) 6.222 15.343 ( -4.479 -0.000 -0.718) 4.537 15.447 ( -1.758 -0.000 -3.295) 3.735 15.594 ( 0.353 0.000 9.478) 9.485 15.892 ( 1.086 0.000 -0.888) 1.403 16.513 ( 3.207 0.000 0.012) 3.207 16.565 ( 3.656 0.000 -1.086) 3.814 20.393 ( 1.833 0.000 -0.914) 2.049 20.469 ( -0.444 -0.000 -1.305) 1.379 20.535 ( 4.636 0.000 1.117) 4.769 20.889 ( -1.885 -0.000 -8.439) 8.647 26.656 ( -1.701 -0.000 -0.136) 1.706 26.671 ( 0.038 0.000 -0.002) 0.038 26.695 ( -4.073 -0.000 -0.106) 4.074 26.918 ( -0.377 -0.000 1.634) 1.677 26.965 ( -1.530 -0.000 -4.894) 5.128 27.251 ( 4.331 0.000 -10.186) 11.068 28.380 ( 0.436 0.000 -1.098) 1.181 28.407 ( -1.403 -0.000 0.420) 1.465 28.510 ( 3.555 0.000 -0.422) 3.580 28.545 ( 7.383 0.000 -1.426) 7.519 28.766 ( 6.443 0.000 3.205) 7.196 29.221 ( 9.999 0.000 -29.765) 31.400 31.055 ( 2.411 0.000 0.884) 2.567 31.097 ( 1.347 0.000 -1.374) 1.924 31.233 ( 2.248 0.000 -0.564) 2.318 31.331 ( 5.355 0.000 5.434) 7.629 31.584 ( -21.894 -0.000 49.860) 54.455 33.031 ( -23.348 -0.000 -3.846) 23.662 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 23.496 -2.295 10.821) 25.970 1.880 ( 24.340 -10.022 4.072) 26.636 2.544 ( 0.005 -0.296 -10.149) 10.153 2.575 ( -2.136 3.495 -15.380) 15.916 2.770 ( -12.467 1.922 -6.981) 14.417 3.019 ( 13.844 -2.765 16.680) 21.853 3.099 ( -2.641 2.893 7.619) 8.568 3.267 ( -4.938 -0.878 7.360) 8.906 3.318 ( -8.045 5.596 -0.187) 9.802 3.513 ( -2.501 1.238 -1.626) 3.230 3.558 ( -1.337 -0.412 5.723) 5.892 3.634 ( -4.697 -2.255 5.210) 7.368 3.697 ( -2.184 2.335 -3.569) 4.792 3.755 ( -1.045 2.049 -0.810) 2.439 3.846 ( -2.440 -3.223 0.039) 4.043 3.911 ( -1.787 1.486 0.657) 2.415 4.015 ( -0.234 -0.259 -2.402) 2.427 4.093 ( 3.193 -0.722 5.388) 6.305 4.271 ( 0.530 -1.291 0.312) 1.430 4.543 ( -3.655 -2.422 -9.232) 10.221 4.661 ( -3.451 -6.271 -6.358) 9.574 4.837 ( 1.814 1.043 -9.228) 9.463 4.922 ( 5.383 -3.535 -6.423) 9.095 5.105 ( -2.266 -2.128 -0.212) 3.115 5.210 ( 6.262 3.590 -3.809) 8.161 5.214 ( -1.632 -1.218 -3.010) 3.634 5.252 ( 4.516 0.935 -6.929) 8.323 5.261 ( 1.570 1.117 1.029) 2.184 5.356 ( 3.635 -4.296 -0.223) 5.632 5.589 ( 5.043 4.058 3.904) 7.559 5.666 ( 2.723 -3.147 2.939) 5.094 5.783 ( -8.488 7.883 3.530) 12.110 5.906 ( -3.941 2.468 6.520) 8.009 6.188 ( -1.907 1.713 -0.527) 2.617 6.217 ( -14.032 2.188 6.621) 15.669 6.467 ( 1.154 -0.590 6.047) 6.184 7.775 ( -5.287 -0.088 -2.459) 5.832 7.978 ( -10.276 -4.257 -1.921) 11.288 8.069 ( -5.494 6.533 -1.118) 8.609 8.150 ( -5.198 4.524 1.795) 7.121 8.197 ( -7.942 4.986 -1.601) 9.513 8.384 ( -3.996 4.640 1.192) 6.239 9.340 ( 4.213 0.283 -3.861) 5.722 9.449 ( 3.227 -1.005 2.428) 4.161 9.619 ( 3.065 -2.337 -9.191) 9.966 9.712 ( 1.875 -3.047 7.670) 8.463 9.863 ( 6.792 -0.636 -7.053) 9.813 10.218 ( 3.373 1.386 7.880) 8.683 10.468 ( 3.568 -2.875 -6.534) 7.981 10.496 ( 6.910 -4.101 3.151) 8.631 10.669 ( 6.982 -2.324 2.373) 7.732 10.743 ( 7.291 -4.767 3.146) 9.261 12.255 ( 6.253 -2.148 -0.144) 6.613 12.337 ( 5.203 -2.997 0.607) 6.035 12.705 ( 5.734 -2.217 3.790) 7.222 12.923 ( -7.757 -1.463 -2.940) 8.423 12.978 ( -6.131 3.317 -0.664) 7.002 13.034 ( -3.252 5.390 -3.396) 7.153 13.775 ( 1.749 0.157 -0.627) 1.865 13.874 ( -3.468 0.045 -6.486) 7.355 13.949 ( -4.029 2.146 5.254) 6.960 14.112 ( -5.167 1.936 1.719) 5.780 15.288 ( -2.823 1.251 -0.647) 3.154 15.408 ( -1.415 0.883 -3.017) 3.447 15.610 ( 0.575 2.307 5.883) 6.345 15.930 ( 0.951 -3.173 -0.300) 3.326 16.565 ( 3.913 -1.530 0.201) 4.207 16.614 ( 3.426 -1.708 -0.903) 3.933 20.394 ( 1.848 1.691 -0.590) 2.573 20.475 ( -0.916 -1.813 -0.889) 2.217 20.592 ( 4.128 -0.865 1.075) 4.352 20.833 ( -2.963 0.495 -5.140) 5.953 26.614 ( -3.488 1.243 0.898) 3.810 26.669 ( -0.190 0.186 -0.055) 0.271 26.676 ( -0.157 -0.032 0.098) 0.188 26.867 ( 0.501 4.273 -3.590) 5.603 26.960 ( -2.308 -2.440 0.465) 3.390 27.243 ( 2.092 0.970 -7.328) 7.682 28.413 ( 0.239 -1.872 1.539) 2.435 28.451 ( 0.302 -5.281 -1.234) 5.432 28.526 ( 4.881 -0.610 -1.832) 5.249 28.666 ( 5.751 -3.975 0.227) 6.995 28.811 ( 4.527 2.406 2.189) 5.575 29.218 ( 2.399 -2.019 -18.523) 18.787 31.010 ( 0.839 3.884 -2.019) 4.457 31.195 ( 3.908 -5.104 1.645) 6.635 31.245 ( 2.153 1.206 -0.272) 2.483 31.446 ( 6.381 -3.040 6.642) 9.699 31.508 ( -12.472 5.325 31.391) 34.195 32.695 ( -23.671 7.690 -6.164) 25.641 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 15.085 -9.527 8.863) 19.921 2.245 ( 11.524 -6.741 2.828) 13.647 2.416 ( -2.966 2.286 -13.901) 14.396 2.513 ( -3.038 0.425 -2.758) 4.125 2.639 ( -3.554 -3.948 -9.252) 10.668 2.872 ( -5.811 6.625 0.274) 8.816 3.123 ( 1.635 5.443 0.142) 5.685 3.241 ( -4.597 1.410 5.356) 7.198 3.280 ( 1.139 3.474 11.017) 11.607 3.457 ( -3.156 2.847 -1.093) 4.388 3.566 ( -4.614 2.389 0.584) 5.229 3.616 ( -1.039 -0.373 7.437) 7.519 3.698 ( 0.871 -0.780 -3.778) 3.955 3.747 ( -1.033 -3.826 0.442) 3.988 3.846 ( -2.101 1.936 -2.075) 3.531 3.920 ( 3.621 0.219 5.555) 6.635 4.058 ( 2.161 -2.260 -3.731) 4.867 4.180 ( 3.068 -4.157 1.703) 5.440 4.361 ( 5.741 -3.842 4.910) 8.475 4.590 ( -0.046 -9.550 -0.112) 9.551 4.691 ( -2.279 -5.005 -9.636) 11.095 4.788 ( 1.364 2.970 -8.752) 9.343 4.982 ( 4.015 -1.010 -4.788) 6.330 5.113 ( 0.998 6.971 -2.591) 7.504 5.151 ( -2.019 -1.236 4.117) 4.749 5.179 ( -6.466 1.220 -2.688) 7.108 5.236 ( 1.343 1.359 -6.183) 6.472 5.323 ( 1.742 -3.265 7.530) 8.391 5.439 ( -4.381 2.411 1.506) 5.222 5.483 ( 5.166 4.866 0.903) 7.155 5.672 ( 0.326 0.912 3.636) 3.763 5.738 ( -1.939 -0.054 0.928) 2.150 5.822 ( -1.648 2.793 3.058) 4.457 6.024 ( -9.054 2.389 -2.052) 9.587 6.165 ( 1.020 1.445 -0.055) 1.770 6.562 ( 4.893 -0.916 2.912) 5.767 7.747 ( -0.711 -1.236 -1.086) 1.792 7.887 ( -4.504 6.297 0.296) 7.747 7.938 ( -2.794 2.261 -0.780) 3.678 8.039 ( -4.984 4.119 -1.272) 6.590 8.056 ( -6.879 -2.343 0.833) 7.314 8.275 ( -4.493 3.031 0.879) 5.491 9.361 ( 2.837 -0.191 -3.106) 4.211 9.510 ( 3.714 -0.130 3.652) 5.210 9.660 ( 1.463 -2.819 -7.013) 7.699 9.820 ( 0.981 -4.142 6.785) 8.010 9.895 ( 3.921 0.060 -5.933) 7.112 10.254 ( 2.138 1.255 8.879) 9.219 10.504 ( -0.408 -2.790 -9.729) 10.129 10.640 ( 5.543 -2.948 4.578) 7.771 10.785 ( 4.238 -2.542 -1.064) 5.055 10.877 ( 3.775 -1.846 1.961) 4.637 12.383 ( 8.963 -2.827 -0.148) 9.400 12.462 ( 7.414 -3.386 0.816) 8.191 12.752 ( -1.589 1.059 1.853) 2.661 12.847 ( -5.903 1.368 0.275) 6.066 12.854 ( -7.595 2.978 -2.795) 8.624 12.894 ( -5.272 1.500 -0.343) 5.492 13.786 ( 2.913 0.980 -1.920) 3.624 13.826 ( -2.943 0.723 0.606) 3.090 13.894 ( -2.270 0.166 -0.423) 2.315 14.037 ( -4.024 1.979 2.374) 5.074 15.249 ( -0.806 0.737 -0.367) 1.152 15.372 ( -0.747 0.733 -1.990) 2.248 15.579 ( -0.163 3.039 2.192) 3.750 16.002 ( 0.896 -3.357 0.453) 3.504 16.633 ( 2.980 -1.602 0.230) 3.391 16.674 ( 2.338 -1.719 -0.441) 2.935 20.369 ( 1.468 2.671 -0.125) 3.050 20.499 ( -1.265 -2.308 -0.991) 2.812 20.658 ( 2.792 -1.914 1.502) 3.703 20.773 ( -2.128 1.482 -2.694) 3.740 26.577 ( -0.433 0.945 2.471) 2.680 26.665 ( -0.117 -0.006 -0.044) 0.125 26.677 ( 0.064 0.050 0.076) 0.111 26.787 ( -0.667 2.865 -3.526) 4.591 26.974 ( -3.074 -1.945 -0.939) 3.756 27.222 ( 1.337 0.447 -2.441) 2.818 28.430 ( 2.829 1.084 0.948) 3.174 28.572 ( 3.062 -3.356 -1.121) 4.679 28.604 ( 2.748 -5.588 -1.987) 6.536 28.766 ( -2.863 -0.820 2.601) 3.954 28.820 ( 8.739 1.255 0.303) 8.834 29.185 ( -4.861 -3.339 -9.270) 10.987 30.941 ( 0.058 3.060 -3.713) 4.812 31.224 ( 0.246 3.163 3.267) 4.555 31.330 ( 6.624 -1.875 3.906) 7.915 31.416 ( -3.864 4.991 14.071) 15.422 31.635 ( 4.847 -8.143 4.512) 10.496 32.283 ( -19.162 9.492 -7.617) 22.700 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.712 9.417 -2.387) 10.797 2.346 ( 1.211 -7.376 2.989) 8.050 2.487 ( 8.728 -13.644 1.607) 16.276 2.578 ( 3.792 -4.165 1.185) 5.756 2.689 ( 0.842 1.418 -2.509) 3.002 2.775 ( -5.370 -6.143 -2.947) 8.676 3.002 ( 0.696 8.532 -1.000) 8.619 3.210 ( 0.205 1.332 -0.751) 1.543 3.275 ( 0.716 2.070 9.643) 9.888 3.390 ( -0.057 -0.254 -1.038) 1.070 3.495 ( -2.254 1.411 -1.582) 3.094 3.611 ( -0.952 0.397 1.860) 2.127 3.657 ( -0.506 4.156 -2.771) 5.021 3.780 ( -3.121 -2.848 -2.030) 4.687 3.840 ( -0.082 -1.033 1.993) 2.247 3.962 ( 1.013 2.377 4.282) 5.001 4.066 ( 6.977 1.882 -1.494) 7.379 4.256 ( -3.861 -5.461 -1.073) 6.773 4.452 ( 0.435 -2.102 -0.523) 2.209 4.538 ( -4.208 19.461 -4.461) 20.405 4.721 ( -3.189 -6.473 -5.869) 9.302 4.911 ( 7.025 -9.853 -2.430) 12.342 4.968 ( 2.484 5.616 -3.696) 7.167 5.006 ( -1.258 0.955 3.978) 4.280 5.090 ( -0.052 -0.447 6.121) 6.137 5.165 ( -0.517 0.282 -7.934) 7.956 5.204 ( -4.779 -2.558 3.968) 6.718 5.387 ( 4.474 -0.171 -1.417) 4.697 5.426 ( -2.043 -1.749 10.589) 10.925 5.483 ( 3.420 2.254 2.597) 4.850 5.620 ( -4.468 2.891 -5.470) 7.631 5.707 ( 0.954 -1.348 0.984) 1.922 5.859 ( 1.937 -1.069 0.166) 2.219 5.927 ( -4.779 1.044 -0.542) 4.922 6.154 ( 1.114 0.816 -0.534) 1.480 6.583 ( 2.309 3.258 0.041) 3.994 7.791 ( -0.168 -0.784 1.515) 1.714 7.798 ( 3.695 -1.427 -2.799) 4.850 7.901 ( 0.413 -0.320 1.865) 1.937 7.945 ( -3.422 1.358 0.377) 3.701 8.086 ( -6.358 -7.526 -0.919) 9.895 8.206 ( -2.787 0.513 0.332) 2.854 9.381 ( 1.339 -0.633 -1.441) 2.066 9.549 ( 3.243 1.569 3.737) 5.191 9.675 ( -0.626 -0.872 -4.883) 5.000 9.895 ( 0.316 0.818 0.515) 1.017 9.923 ( 2.188 -3.401 0.359) 4.060 10.288 ( 1.878 2.054 9.842) 10.228 10.477 ( -3.098 -1.298 -10.428) 10.955 10.727 ( 3.388 1.069 4.726) 5.912 10.818 ( 1.709 0.484 -4.235) 4.592 10.879 ( -0.806 4.042 1.135) 4.275 12.467 ( 8.080 6.216 0.696) 10.218 12.545 ( 5.690 5.790 -0.466) 8.131 12.713 ( -4.576 -1.255 -0.697) 4.796 12.752 ( -0.165 -4.939 0.553) 4.972 12.817 ( -5.126 -3.207 -0.174) 6.049 12.869 ( -6.470 -4.509 0.059) 7.886 13.768 ( 0.605 1.849 -0.202) 1.956 13.806 ( -0.370 0.176 0.738) 0.844 13.918 ( 1.344 -3.628 -2.462) 4.586 13.988 ( -3.162 0.379 2.659) 4.149 15.242 ( 0.102 -0.407 -0.070) 0.425 15.357 ( -0.246 -0.296 -0.628) 0.736 15.527 ( -0.513 2.894 0.062) 2.940 16.055 ( 0.491 -1.486 0.403) 1.616 16.664 ( 0.978 0.768 0.012) 1.243 16.706 ( 0.907 0.041 0.015) 0.908 20.344 ( 1.546 1.642 0.297) 2.275 20.509 ( -1.815 -0.906 -1.267) 2.392 20.702 ( -0.310 1.850 1.430) 2.359 20.746 ( 1.054 -2.915 -0.885) 3.223 26.598 ( 2.600 -0.679 3.131) 4.126 26.666 ( -0.036 -0.233 0.041) 0.239 26.675 ( -0.002 0.193 0.102) 0.218 26.727 ( -2.232 0.817 -2.912) 3.759 26.956 ( -2.494 -0.176 -1.812) 3.088 27.245 ( 0.635 -2.276 0.694) 2.462 28.455 ( 4.195 0.693 1.327) 4.454 28.593 ( 4.053 2.523 -4.117) 6.304 28.678 ( -4.098 2.922 1.055) 5.142 28.753 ( 0.268 -4.377 3.311) 5.495 28.834 ( 2.529 5.569 -2.873) 6.757 29.250 ( -3.400 -12.178 -0.603) 12.659 30.876 ( -0.209 2.469 -3.995) 4.701 31.171 ( -0.592 4.035 3.788) 5.566 31.348 ( -0.053 3.468 2.566) 4.315 31.425 ( 8.378 3.224 5.905) 10.744 31.715 ( -8.618 4.495 -4.206) 10.591 32.099 ( -2.172 -10.888 -1.170) 11.164 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -0.000 17.223 -0.000) 17.223 2.364 ( -0.000 15.011 -0.000) 15.011 2.585 ( 0.000 -1.805 0.000) 1.805 2.638 ( 0.000 -0.406 0.000) 0.406 2.823 ( 0.000 -3.657 0.000) 3.657 2.870 ( 0.000 -12.669 0.000) 12.669 3.042 ( 0.000 -13.215 0.000) 13.215 3.209 ( 0.000 -3.838 0.000) 3.838 3.274 ( 0.000 -0.449 0.000) 0.449 3.450 ( 0.000 -1.697 0.000) 1.697 3.451 ( -0.000 0.765 -0.000) 0.765 3.569 ( -0.000 2.841 -0.000) 2.841 3.599 ( -0.000 1.693 -0.000) 1.693 3.796 ( -0.000 0.305 -0.000) 0.305 3.805 ( -0.000 4.653 -0.000) 4.653 3.956 ( 0.000 -1.668 0.000) 1.668 4.042 ( -0.000 18.423 -0.000) 18.423 4.084 ( -0.000 1.433 -0.000) 1.433 4.384 ( 0.000 -3.793 0.000) 3.793 4.501 ( 0.000 -4.358 0.000) 4.358 4.810 ( 0.000 -5.992 0.000) 5.992 4.890 ( -0.000 4.186 -0.000) 4.186 4.977 ( 0.000 -2.343 0.000) 2.343 5.042 ( 0.000 -0.960 0.000) 0.960 5.099 ( -0.000 3.756 -0.000) 3.756 5.115 ( -0.000 0.626 -0.000) 0.626 5.208 ( -0.000 2.470 -0.000) 2.470 5.442 ( -0.000 2.763 -0.000) 2.763 5.453 ( 0.000 -2.953 0.000) 2.953 5.523 ( 0.000 -0.944 0.000) 0.944 5.625 ( 0.000 -8.697 0.000) 8.697 5.740 ( 0.000 -3.866 0.000) 3.866 5.833 ( -0.000 4.192 -0.000) 4.192 5.880 ( -0.000 2.126 -0.000) 2.126 6.173 ( 0.000 -2.695 0.000) 2.695 6.515 ( -0.000 5.228 -0.000) 5.228 7.858 ( 0.000 -6.941 0.000) 6.941 7.902 ( 0.000 -4.568 0.000) 4.568 7.907 ( 0.000 -2.093 0.000) 2.093 7.981 ( 0.000 -6.042 0.000) 6.042 8.174 ( 0.000 -7.189 0.000) 7.189 8.217 ( 0.000 -3.238 0.000) 3.238 9.394 ( 0.000 -0.329 0.000) 0.329 9.541 ( -0.000 2.574 -0.000) 2.574 9.641 ( -0.000 2.682 -0.000) 2.682 9.875 ( -0.000 1.497 -0.000) 1.497 9.978 ( 0.000 -0.816 0.000) 0.816 10.247 ( -0.000 6.594 -0.000) 6.594 10.452 ( 0.000 -0.924 0.000) 0.924 10.705 ( -0.000 3.526 -0.000) 3.526 10.726 ( -0.000 11.132 -0.000) 11.132 10.796 ( -0.000 3.919 -0.000) 3.919 12.353 ( -0.000 8.781 -0.000) 8.781 12.421 ( -0.000 8.340 -0.000) 8.340 12.731 ( 0.000 -0.066 0.000) 0.066 12.860 ( 0.000 -5.788 0.000) 5.788 12.890 ( 0.000 -5.114 0.000) 5.114 12.952 ( 0.000 -10.341 0.000) 10.341 13.762 ( 0.000 -0.974 0.000) 0.974 13.803 ( -0.000 0.073 -0.000) 0.073 13.987 ( 0.000 -1.877 0.000) 1.877 14.004 ( 0.000 -4.926 0.000) 4.926 15.261 ( 0.000 -1.713 0.000) 1.713 15.373 ( 0.000 -1.842 0.000) 1.842 15.476 ( -0.000 2.336 -0.000) 2.336 16.063 ( -0.000 0.965 -0.000) 0.965 16.629 ( -0.000 3.356 -0.000) 3.356 16.689 ( -0.000 2.346 -0.000) 2.346 20.343 ( 0.000 -0.040 0.000) 0.040 20.490 ( -0.000 1.061 -0.000) 1.061 20.650 ( -0.000 3.450 -0.000) 3.450 20.834 ( 0.000 -5.627 0.000) 5.627 26.652 ( 0.000 -1.304 0.000) 1.304 26.670 ( 0.000 -0.013 0.000) 0.013 26.676 ( 0.000 -0.386 0.000) 0.386 26.703 ( 0.000 -1.368 0.000) 1.368 26.931 ( -0.000 0.713 -0.000) 0.713 27.311 ( 0.000 -4.426 0.000) 4.426 28.490 ( 0.000 -0.179 0.000) 0.179 28.531 ( -0.000 4.479 -0.000) 4.479 28.587 ( -0.000 4.326 -0.000) 4.326 28.682 ( -0.000 8.664 -0.000) 8.664 28.838 ( 0.000 -1.708 0.000) 1.708 29.474 ( 0.000 -13.438 0.000) 13.438 30.824 ( -0.000 2.078 -0.000) 2.078 31.107 ( -0.000 3.701 -0.000) 3.701 31.299 ( -0.000 2.465 -0.000) 2.465 31.436 ( -0.000 5.396 -0.000) 5.396 31.471 ( -0.000 9.169 -0.000) 9.169 32.415 ( 0.000 -21.625 0.000) 21.625 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 19.850 0.000 9.439) 21.980 2.037 ( 23.725 0.000 2.037) 23.813 2.457 ( -9.352 -0.000 -23.104) 24.925 2.507 ( -0.255 -0.000 -8.508) 8.511 2.644 ( -10.764 -0.000 -1.954) 10.940 3.081 ( -4.469 -0.000 9.924) 10.883 3.225 ( -3.692 -0.000 10.756) 11.372 3.245 ( 4.177 0.000 7.975) 9.003 3.308 ( -4.988 -0.000 -1.668) 5.259 3.443 ( -7.791 -0.000 2.719) 8.252 3.578 ( 3.563 0.000 2.149) 4.162 3.617 ( -0.004 -0.000 -1.298) 1.298 3.671 ( -6.718 -0.000 -0.018) 6.718 3.733 ( -1.371 -0.000 1.164) 1.798 3.837 ( 7.796 0.000 0.152) 7.797 3.928 ( -0.660 -0.000 2.828) 2.904 3.953 ( -3.237 -0.000 -5.854) 6.690 4.185 ( 3.731 0.000 11.437) 12.030 4.283 ( 6.157 0.000 4.626) 7.701 4.463 ( -1.580 -0.000 -10.856) 10.970 4.533 ( -3.485 -0.000 -4.272) 5.513 4.836 ( 2.339 0.000 -7.318) 7.682 4.923 ( 5.732 0.000 -4.585) 7.340 5.062 ( -2.119 -0.000 0.095) 2.121 5.159 ( -3.505 -0.000 -3.237) 4.771 5.196 ( -2.774 -0.000 -12.544) 12.847 5.288 ( 1.510 0.000 4.010) 4.285 5.346 ( 5.904 0.000 -6.583) 8.843 5.370 ( 7.602 0.000 2.074) 7.880 5.642 ( 0.283 0.000 0.770) 0.820 5.709 ( 4.527 0.000 3.918) 5.987 5.835 ( -6.211 -0.000 1.264) 6.339 5.869 ( -9.945 -0.000 12.071) 15.640 6.081 ( -14.643 -0.000 0.178) 14.645 6.219 ( 3.073 0.000 0.026) 3.073 6.489 ( 2.406 0.000 4.690) 5.271 7.714 ( -4.153 -0.000 -1.277) 4.345 7.832 ( -7.566 -0.000 -1.353) 7.686 8.094 ( -3.771 -0.000 -1.482) 4.051 8.112 ( -7.054 -0.000 1.103) 7.140 8.154 ( -6.447 -0.000 -1.897) 6.720 8.422 ( -1.614 -0.000 0.301) 1.642 9.379 ( 3.948 0.000 -1.993) 4.423 9.475 ( 2.289 0.000 3.891) 4.514 9.589 ( 2.851 0.000 -9.774) 10.182 9.731 ( 1.262 0.000 6.966) 7.080 9.891 ( 5.159 0.000 -7.245) 8.894 10.308 ( 2.976 0.000 8.961) 9.442 10.452 ( 2.741 0.000 -7.578) 8.059 10.520 ( 5.357 0.000 1.625) 5.598 10.737 ( 4.609 0.000 2.078) 5.056 10.775 ( 7.511 0.000 4.020) 8.519 12.277 ( 3.670 0.000 0.338) 3.686 12.358 ( 4.899 0.000 0.001) 4.899 12.741 ( 0.802 0.000 2.873) 2.983 12.828 ( -6.859 -0.000 -1.619) 7.047 12.972 ( -1.798 -0.000 0.507) 1.868 13.047 ( -2.203 -0.000 -3.323) 3.987 13.797 ( 2.727 0.000 -0.422) 2.760 13.810 ( -3.012 -0.000 -5.916) 6.638 13.949 ( -4.658 -0.000 5.316) 7.068 14.085 ( -3.977 -0.000 0.582) 4.019 15.271 ( -1.874 -0.000 -0.497) 1.938 15.391 ( -1.277 -0.000 -2.269) 2.604 15.667 ( 0.870 0.000 4.705) 4.785 15.900 ( 0.428 0.000 -0.804) 0.911 16.591 ( 3.642 0.000 0.265) 3.651 16.627 ( 2.854 0.000 -0.735) 2.947 20.424 ( 1.558 0.000 -0.563) 1.656 20.444 ( -1.016 -0.000 -0.659) 1.211 20.634 ( 3.671 0.000 0.847) 3.768 20.789 ( -2.670 -0.000 -3.461) 4.371 26.589 ( -2.987 -0.000 0.738) 3.077 26.672 ( 0.029 0.000 -0.000) 0.029 26.672 ( -0.094 -0.000 -0.021) 0.096 26.893 ( -1.403 -0.000 -4.501) 4.714 26.931 ( 0.136 0.000 1.660) 1.666 27.249 ( 1.828 0.000 -5.609) 5.899 28.379 ( 0.126 0.000 -0.434) 0.451 28.388 ( -0.853 -0.000 0.643) 1.068 28.580 ( 3.093 0.000 -0.132) 3.096 28.684 ( 6.579 0.000 -1.506) 6.749 28.882 ( 2.441 0.000 2.487) 3.484 29.176 ( 2.580 0.000 -12.319) 12.586 31.110 ( 0.804 0.000 -0.938) 1.235 31.112 ( 2.112 0.000 0.546) 2.182 31.278 ( 3.192 0.000 -2.812) 4.253 31.541 ( -11.464 -0.000 24.068) 26.659 31.553 ( 11.541 0.000 8.693) 14.449 32.482 ( -24.744 -0.000 -7.901) 25.975 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 12.768 0.669 5.740) 14.014 2.299 ( 11.833 -4.327 2.365) 12.819 2.318 ( -2.988 -1.721 -11.453) 11.961 2.465 ( -9.408 2.203 -6.039) 11.395 2.515 ( -0.832 -0.674 -2.800) 2.998 2.987 ( -2.539 9.658 2.662) 10.335 3.154 ( -3.584 0.089 -2.399) 4.314 3.256 ( -1.807 0.064 7.223) 7.445 3.343 ( -2.493 -1.969 2.130) 3.824 3.425 ( -2.310 -0.309 2.904) 3.724 3.573 ( -1.380 0.441 -0.426) 1.510 3.631 ( -0.054 1.104 0.548) 1.233 3.649 ( 0.512 -3.934 2.350) 4.611 3.723 ( -1.128 1.010 0.067) 1.516 3.880 ( -0.586 2.208 -1.176) 2.570 3.938 ( 3.391 -2.723 -0.419) 4.369 3.960 ( -2.104 -3.621 -1.515) 4.454 4.223 ( 2.549 3.331 5.179) 6.664 4.425 ( 0.183 -1.161 -2.987) 3.210 4.480 ( 10.051 -5.731 8.910) 14.604 4.548 ( 2.470 -4.325 -2.180) 5.437 4.825 ( 3.137 1.055 -5.278) 6.230 4.970 ( 2.045 -1.457 -4.553) 5.199 5.040 ( -7.436 -2.990 -3.806) 8.872 5.119 ( -2.514 -0.055 -1.607) 2.984 5.131 ( -5.365 -2.509 -5.108) 7.821 5.307 ( 1.877 6.280 -0.821) 6.606 5.349 ( 3.587 -2.586 2.989) 5.337 5.461 ( 6.771 0.610 1.361) 6.934 5.607 ( -3.917 4.911 0.914) 6.348 5.692 ( -4.435 0.254 -0.288) 4.452 5.736 ( 1.180 2.809 2.622) 4.020 5.838 ( -6.118 0.895 3.392) 7.052 5.973 ( -3.917 0.938 -1.461) 4.284 6.213 ( 1.921 2.922 0.172) 3.501 6.571 ( 2.505 -3.448 2.317) 4.851 7.697 ( -1.545 -1.979 -0.314) 2.531 7.815 ( -4.076 -4.895 -0.734) 6.412 7.958 ( -3.682 6.651 -0.154) 7.603 8.062 ( -2.345 3.309 -1.153) 4.216 8.079 ( -3.012 2.203 0.188) 3.736 8.341 ( -1.096 6.601 0.292) 6.698 9.386 ( 1.825 1.385 -1.140) 2.559 9.536 ( 1.908 -2.036 4.763) 5.520 9.599 ( 1.259 -2.159 -7.447) 7.855 9.787 ( 0.471 -2.634 4.076) 4.875 9.908 ( 2.469 -0.121 -4.218) 4.888 10.345 ( 2.058 1.874 9.230) 9.641 10.438 ( 0.331 -0.129 -9.059) 9.066 10.622 ( 2.928 -5.049 1.313) 5.982 10.798 ( 3.190 -0.999 1.310) 3.590 10.872 ( 2.918 -2.704 1.327) 4.193 12.364 ( 3.573 -5.632 0.144) 6.671 12.440 ( 3.701 -4.474 0.177) 5.809 12.734 ( -2.834 0.363 0.911) 2.999 12.767 ( -4.836 -0.279 -0.513) 4.871 12.916 ( -0.307 5.806 0.229) 5.818 12.962 ( -1.578 5.847 -1.143) 6.163 13.780 ( -1.635 -1.331 -2.560) 3.316 13.824 ( 3.545 0.157 -1.427) 3.825 13.898 ( -4.193 2.262 3.395) 5.850 14.043 ( -2.202 1.488 0.561) 2.716 15.251 ( -0.602 0.531 -0.242) 0.838 15.369 ( -0.604 0.494 -1.192) 1.425 15.650 ( 0.243 3.623 1.743) 4.028 15.943 ( 0.366 -3.891 0.001) 3.908 16.635 ( 2.088 -1.249 0.174) 2.439 16.663 ( 1.543 -1.513 -0.334) 2.187 20.419 ( 0.798 1.720 -0.196) 1.906 20.449 ( -0.724 -1.697 -0.426) 1.894 20.669 ( 2.143 -0.501 0.628) 2.288 20.756 ( -1.636 0.156 -1.611) 2.301 26.575 ( -1.137 -0.616 1.066) 1.676 26.666 ( -0.021 0.255 -0.022) 0.256 26.677 ( 0.036 -0.179 0.010) 0.183 26.829 ( -0.695 3.717 -2.855) 4.738 26.941 ( -0.334 -0.385 0.771) 0.924 27.235 ( 0.773 0.872 -2.432) 2.696 28.417 ( -0.277 -2.970 0.286) 2.997 28.450 ( 0.163 -7.299 -0.087) 7.301 28.618 ( 3.892 -1.369 -0.438) 4.149 28.733 ( 0.647 -0.166 -0.198) 0.697 28.905 ( 3.091 -0.220 1.349) 3.380 29.127 ( -1.049 2.992 -5.997) 6.783 31.008 ( 0.289 5.375 -0.937) 5.464 31.270 ( 1.813 -8.949 0.650) 9.154 31.280 ( 1.568 1.613 -1.166) 2.534 31.495 ( -4.907 3.137 11.071) 12.509 31.715 ( 13.945 1.210 9.041) 16.663 32.164 ( -21.216 4.460 -9.095) 23.510 ======================= Grid point 30 (20/93) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.000 -1.096 0.000) 1.096 2.333 ( -0.000 2.995 -0.000) 2.995 2.359 ( 0.000 -4.940 0.000) 4.940 2.470 ( 0.000 -11.071 0.000) 11.071 2.545 ( 0.000 -3.029 0.000) 3.029 2.813 ( -0.000 7.087 -0.000) 7.087 3.191 ( -0.000 8.239 -0.000) 8.239 3.196 ( 0.000 -3.415 0.000) 3.415 3.337 ( 0.000 -0.260 0.000) 0.260 3.388 ( -0.000 3.099 -0.000) 3.099 3.556 ( -0.000 5.924 -0.000) 5.924 3.584 ( 0.000 -1.563 0.000) 1.563 3.706 ( -0.000 0.834 -0.000) 0.834 3.722 ( 0.000 -1.999 0.000) 1.999 3.849 ( -0.000 1.557 -0.000) 1.557 3.988 ( 0.000 -1.102 0.000) 1.102 4.052 ( 0.000 -9.105 0.000) 9.105 4.176 ( -0.000 3.478 -0.000) 3.478 4.444 ( 0.000 -0.163 0.000) 0.163 4.582 ( 0.000 -5.247 0.000) 5.247 4.708 ( 0.000 -0.657 0.000) 0.657 4.890 ( 0.000 -2.146 0.000) 2.146 4.969 ( 0.000 -6.679 0.000) 6.679 5.001 ( 0.000 -0.286 0.000) 0.286 5.114 ( 0.000 -1.238 0.000) 1.238 5.128 ( -0.000 5.087 -0.000) 5.087 5.150 ( -0.000 5.258 -0.000) 5.258 5.433 ( -0.000 3.530 -0.000) 3.530 5.457 ( 0.000 -2.691 0.000) 2.691 5.562 ( -0.000 1.264 -0.000) 1.264 5.614 ( -0.000 4.113 -0.000) 4.113 5.701 ( -0.000 1.219 -0.000) 1.219 5.824 ( 0.000 -2.309 0.000) 2.309 5.932 ( -0.000 1.707 -0.000) 1.707 6.183 ( -0.000 1.604 -0.000) 1.604 6.626 ( 0.000 -0.182 0.000) 0.182 7.745 ( 0.000 -3.955 0.000) 3.955 7.830 ( -0.000 4.990 -0.000) 4.990 7.904 ( 0.000 -7.451 0.000) 7.451 7.973 ( -0.000 4.831 -0.000) 4.831 7.991 ( -0.000 5.237 -0.000) 5.237 8.232 ( -0.000 4.007 -0.000) 4.007 9.378 ( -0.000 0.084 -0.000) 0.084 9.596 ( -0.000 0.172 -0.000) 0.172 9.619 ( 0.000 -3.121 0.000) 3.121 9.860 ( 0.000 -4.284 0.000) 4.284 9.910 ( -0.000 0.389 -0.000) 0.389 10.372 ( -0.000 1.629 -0.000) 1.629 10.399 ( 0.000 -0.979 0.000) 0.979 10.739 ( 0.000 -5.448 0.000) 5.448 10.806 ( -0.000 1.820 -0.000) 1.820 10.924 ( 0.000 -0.416 0.000) 0.416 12.524 ( 0.000 -8.899 0.000) 8.899 12.588 ( 0.000 -9.129 0.000) 9.129 12.675 ( -0.000 5.630 -0.000) 5.630 12.715 ( -0.000 4.250 -0.000) 4.250 12.797 ( -0.000 4.545 -0.000) 4.545 12.842 ( -0.000 4.598 -0.000) 4.598 13.795 ( 0.000 -1.253 0.000) 1.253 13.819 ( -0.000 3.385 -0.000) 3.385 13.866 ( 0.000 -2.086 0.000) 2.086 13.999 ( -0.000 1.946 -0.000) 1.946 15.241 ( -0.000 0.253 -0.000) 0.253 15.355 ( -0.000 0.394 -0.000) 0.394 15.585 ( -0.000 3.816 -0.000) 3.816 16.014 ( 0.000 -3.488 0.000) 3.488 16.667 ( 0.000 -0.971 0.000) 0.971 16.698 ( 0.000 -1.439 0.000) 1.439 20.386 ( -0.000 2.220 -0.000) 2.220 20.477 ( 0.000 -1.710 0.000) 1.710 20.702 ( 0.000 -1.854 0.000) 1.854 20.734 ( -0.000 1.092 -0.000) 1.092 26.595 ( 0.000 -1.581 0.000) 1.581 26.664 ( 0.000 -0.017 0.000) 0.017 26.678 ( -0.000 0.049 -0.000) 0.049 26.748 ( -0.000 3.702 -0.000) 3.702 26.943 ( -0.000 0.001 -0.000) 0.001 27.227 ( 0.000 -0.282 0.000) 0.282 28.461 ( 0.000 -1.818 0.000) 1.818 28.600 ( 0.000 -8.345 0.000) 8.345 28.684 ( -0.000 3.632 -0.000) 3.632 28.687 ( 0.000 -1.814 0.000) 1.814 28.995 ( -0.000 7.929 -0.000) 7.929 29.019 ( 0.000 -9.265 0.000) 9.265 30.925 ( -0.000 3.952 -0.000) 3.952 31.240 ( -0.000 3.271 -0.000) 3.271 31.411 ( -0.000 0.836 -0.000) 0.836 31.463 ( 0.000 -4.485 0.000) 4.485 31.780 ( -0.000 7.440 -0.000) 7.440 31.946 ( 0.000 -2.021 0.000) 2.021 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 0.000 0.000) 0.000 2.325 ( -0.000 -0.000 -0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.116 ( -0.000 -0.000 -0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 -0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.631 ( 0.000 0.000 -0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 -0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.582 ( -0.000 -0.000 -0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 9.416 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 -0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 -0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 -0.000) 0.000 10.584 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 15.253 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 -0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 16.634 ( 0.000 0.000 0.000) 0.000 16.655 ( 0.000 0.000 -0.000) 0.000 20.429 ( 0.000 0.000 0.000) 0.000 20.439 ( 0.000 0.000 0.000) 0.000 20.677 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 26.563 ( 0.000 0.000 0.000) 0.000 26.672 ( 0.000 0.000 0.000) 0.000 26.672 ( 0.000 0.000 0.000) 0.000 26.856 ( 0.000 0.000 0.000) 0.000 26.941 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 28.378 ( 0.000 0.000 0.000) 0.000 28.382 ( 0.000 0.000 0.000) 0.000 28.614 ( 0.000 0.000 0.000) 0.000 28.752 ( 0.000 0.000 0.000) 0.000 28.912 ( 0.000 0.000 0.000) 0.000 29.148 ( 0.000 0.000 -0.000) 0.000 31.114 ( 0.000 0.000 0.000) 0.000 31.136 ( 0.000 0.000 0.000) 0.000 31.302 ( 0.000 0.000 0.000) 0.000 31.519 ( 0.000 0.000 -0.000) 0.000 31.922 ( 0.000 0.000 0.000) 0.000 31.976 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.495 0.000 38.408) 38.437 0.782 ( -2.579 -0.000 38.736) 38.822 1.320 ( 5.393 0.000 65.927) 66.147 2.459 ( 0.879 0.000 -12.454) 12.485 2.544 ( 1.727 0.000 -14.070) 14.175 3.349 ( -3.584 -0.000 -1.585) 3.919 3.443 ( 4.587 0.000 0.642) 4.631 3.517 ( 2.736 0.000 -6.457) 7.013 3.610 ( 1.402 0.000 -3.150) 3.448 3.717 ( -1.881 -0.000 4.144) 4.551 3.754 ( -5.320 -0.000 2.673) 5.954 3.770 ( 2.240 0.000 1.223) 2.552 3.806 ( -3.179 -0.000 0.203) 3.185 3.839 ( -0.893 -0.000 0.605) 1.079 3.901 ( 0.815 0.000 1.608) 1.803 3.996 ( 2.373 0.000 -1.461) 2.787 4.042 ( -4.286 -0.000 -2.189) 4.813 4.126 ( -2.181 -0.000 2.938) 3.659 4.164 ( 0.401 0.000 3.124) 3.149 4.694 ( -2.964 -0.000 -6.774) 7.394 4.779 ( -0.540 -0.000 -8.842) 8.858 4.788 ( 1.418 0.000 -7.074) 7.214 4.886 ( 0.834 0.000 -40.554) 40.563 4.902 ( -8.178 -0.000 1.241) 8.272 5.031 ( -2.422 -0.000 3.903) 4.593 5.047 ( 3.452 0.000 -0.929) 3.575 5.147 ( 4.145 0.000 -9.277) 10.161 5.195 ( 2.478 0.000 5.071) 5.644 5.213 ( -6.269 -0.000 4.876) 7.942 5.316 ( 8.786 0.000 -1.485) 8.911 5.449 ( 1.260 0.000 -5.367) 5.513 5.682 ( -2.397 -0.000 11.949) 12.187 5.868 ( 7.179 0.000 2.138) 7.491 6.060 ( -0.012 -0.000 2.672) 2.672 6.827 ( -2.318 -0.000 34.687) 34.764 7.976 ( -2.626 -0.000 -5.480) 6.076 8.263 ( -0.182 -0.000 -3.461) 3.466 8.316 ( -10.240 -0.000 3.970) 10.982 8.399 ( 18.643 0.000 -10.573) 21.433 8.432 ( -1.298 -0.000 -1.275) 1.819 8.582 ( 0.191 0.000 0.828) 0.850 8.649 ( 0.849 0.000 -0.752) 1.134 9.193 ( -2.463 -0.000 -4.408) 5.049 9.359 ( 0.313 0.000 -0.623) 0.697 9.430 ( 0.144 0.000 -0.321) 0.352 9.496 ( -2.781 -0.000 -13.000) 13.294 9.594 ( 2.336 0.000 13.152) 13.358 10.042 ( -0.053 -0.000 6.678) 6.678 10.060 ( 3.604 0.000 4.300) 5.611 10.134 ( 0.629 0.000 3.128) 3.191 10.395 ( -1.155 -0.000 -3.280) 3.478 10.468 ( -2.481 -0.000 -3.942) 4.658 12.019 ( -4.762 -0.000 0.031) 4.762 12.064 ( 1.865 0.000 -1.659) 2.496 12.150 ( -0.552 -0.000 1.130) 1.257 12.155 ( -0.082 -0.000 1.878) 1.879 13.278 ( -0.200 -0.000 0.043) 0.204 13.280 ( 0.111 0.000 0.084) 0.139 13.710 ( 2.375 0.000 -4.423) 5.021 14.039 ( -2.139 -0.000 -10.851) 11.059 14.094 ( 0.754 0.000 10.134) 10.162 14.353 ( -0.678 -0.000 3.467) 3.533 15.487 ( -0.564 -0.000 0.113) 0.576 15.523 ( 0.191 0.000 -0.695) 0.721 15.865 ( -0.524 -0.000 0.604) 0.800 15.886 ( -0.805 -0.000 0.143) 0.817 16.473 ( -0.190 -0.000 0.234) 0.302 16.488 ( 0.203 0.000 -0.106) 0.229 20.336 ( -2.279 -0.000 -1.180) 2.567 20.389 ( 1.483 0.000 -2.106) 2.576 20.430 ( 1.636 0.000 2.446) 2.943 20.491 ( -1.550 -0.000 0.739) 1.717 26.667 ( -0.041 -0.000 0.003) 0.041 26.668 ( 0.044 0.000 -0.025) 0.051 26.745 ( -3.117 -0.000 0.699) 3.195 26.854 ( -0.210 -0.000 -1.899) 1.911 26.942 ( 2.903 0.000 1.557) 3.294 27.037 ( -2.253 -0.000 -0.531) 2.314 28.342 ( 4.710 0.000 -0.951) 4.805 28.353 ( -3.120 -0.000 -1.080) 3.301 28.430 ( 0.004 0.000 0.352) 0.352 28.438 ( -0.026 -0.000 0.190) 0.192 28.468 ( -4.531 -0.000 1.871) 4.902 28.504 ( 3.365 0.000 0.941) 3.494 31.013 ( -0.165 -0.000 0.188) 0.250 31.058 ( -0.394 -0.000 -1.020) 1.094 31.186 ( 2.661 0.000 0.234) 2.672 31.209 ( -2.112 -0.000 -0.142) 2.116 33.563 ( 2.826 0.000 0.252) 2.837 33.588 ( -0.170 -0.000 -0.323) 0.366 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 8.903 -13.811 27.043) 31.644 1.093 ( 6.100 -12.895 31.849) 34.898 2.002 ( 18.022 -24.189 49.988) 58.384 2.425 ( 1.383 -0.978 -15.585) 15.677 2.523 ( 1.979 -1.680 -17.084) 17.280 3.332 ( -6.574 -0.888 -1.380) 6.776 3.409 ( -0.722 5.022 -2.091) 5.488 3.480 ( -1.544 8.218 -6.047) 10.319 3.542 ( -3.735 4.033 -3.478) 6.505 3.591 ( -3.744 6.348 1.466) 7.515 3.692 ( -7.958 2.017 4.313) 9.274 3.737 ( -0.147 2.607 0.546) 2.667 3.775 ( -0.383 2.763 -1.247) 3.056 3.832 ( -0.077 2.281 4.293) 4.862 3.921 ( 4.930 3.935 0.746) 6.351 3.985 ( -0.085 1.513 -0.997) 1.814 4.012 ( 3.382 0.364 -1.951) 3.921 4.146 ( -3.848 -2.135 0.854) 4.482 4.190 ( -0.211 -3.384 -0.219) 3.398 4.573 ( -2.197 -0.707 -29.751) 29.841 4.726 ( 1.362 0.633 -4.949) 5.172 4.820 ( 0.437 -2.908 -3.456) 4.537 4.836 ( 1.105 -2.276 -5.274) 5.850 4.908 ( -1.039 -4.252 -7.716) 8.871 4.994 ( 0.566 0.524 -4.931) 4.991 5.058 ( 3.217 1.138 -4.462) 5.617 5.114 ( 1.451 -1.321 1.818) 2.675 5.265 ( 0.635 -1.005 4.389) 4.547 5.305 ( -2.740 -7.843 -2.278) 8.614 5.439 ( 4.175 -1.948 -3.948) 6.067 5.517 ( 4.810 -5.604 -0.871) 7.436 5.749 ( 2.320 -2.535 3.486) 4.895 5.954 ( 5.482 -0.173 1.528) 5.693 6.117 ( 2.662 -4.727 3.198) 6.298 6.741 ( -10.573 15.143 27.553) 33.170 7.396 ( -22.104 40.498 16.880) 49.129 7.986 ( -0.405 2.729 -3.557) 4.501 8.211 ( -7.638 4.753 -5.931) 10.775 8.305 ( -0.745 8.724 4.094) 9.666 8.426 ( -4.546 2.590 -0.005) 5.232 8.522 ( -4.333 6.601 -0.438) 7.908 8.591 ( -1.906 3.999 -0.163) 4.433 9.189 ( 0.593 -1.195 -2.829) 3.127 9.358 ( 0.233 -0.845 -0.630) 1.080 9.478 ( 1.984 -5.033 -6.670) 8.589 9.504 ( 4.318 -6.893 -11.160) 13.810 9.702 ( 3.127 -2.281 13.253) 13.807 10.098 ( 0.648 -3.226 3.675) 4.933 10.187 ( 6.235 -4.643 6.246) 9.972 10.273 ( 3.657 -8.593 2.271) 9.611 10.458 ( 2.410 -5.411 -0.884) 5.989 10.478 ( 0.930 -3.069 -4.297) 5.362 12.045 ( 1.588 -1.999 -0.194) 2.560 12.170 ( 4.785 -0.861 0.420) 4.880 12.311 ( 7.142 -12.236 2.055) 14.316 12.632 ( 11.406 -27.433 -22.531) 37.287 13.220 ( -2.524 4.581 0.090) 5.231 13.229 ( -2.525 4.283 -0.031) 4.972 13.721 ( 1.836 -0.196 -2.123) 2.813 13.955 ( -2.438 1.307 -10.246) 10.613 14.113 ( -1.038 2.605 9.184) 9.602 14.310 ( -2.625 3.842 1.678) 4.946 15.441 ( -2.490 3.334 -0.092) 4.162 15.474 ( -1.473 4.200 -0.585) 4.489 15.744 ( -4.082 6.649 9.824) 12.545 15.889 ( 0.225 -2.566 -0.220) 2.585 16.478 ( 0.167 -0.820 0.136) 0.848 16.499 ( 0.888 -1.717 -0.668) 2.045 20.322 ( -0.196 0.252 -0.368) 0.487 20.467 ( 0.502 -2.811 -1.717) 3.332 20.486 ( 2.256 -1.406 1.896) 3.266 20.678 ( 6.575 -11.573 -14.061) 19.362 26.666 ( -0.092 0.050 0.011) 0.105 26.670 ( 0.117 -0.055 -0.059) 0.142 26.746 ( 2.408 2.468 -0.287) 3.460 26.816 ( -2.986 1.891 -1.429) 3.812 26.975 ( 4.081 0.387 2.348) 4.724 27.137 ( -1.728 -8.106 -13.132) 15.529 28.339 ( 0.225 -0.330 -1.499) 1.552 28.393 ( 4.117 -1.071 -0.913) 4.351 28.440 ( -0.050 0.046 1.036) 1.038 28.494 ( 0.990 -4.333 1.312) 4.634 28.596 ( 3.492 -7.004 1.043) 7.896 28.725 ( 8.884 -19.600 -13.995) 25.670 30.994 ( -0.777 1.424 -0.256) 1.643 31.082 ( 1.080 -2.189 -1.470) 2.850 31.196 ( -1.542 -0.906 -0.606) 1.888 31.252 ( 4.181 -3.498 1.379) 5.623 32.795 ( -24.997 45.958 42.083) 67.142 33.421 ( -8.067 13.203 -2.503) 15.674 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 7.543 -18.567 22.282) 29.969 1.573 ( 15.335 -21.167 12.262) 28.871 2.391 ( 2.551 -1.234 -18.411) 18.628 2.462 ( -0.161 -0.567 -17.616) 17.626 2.711 ( 9.619 -14.768 24.657) 30.308 3.056 ( -11.254 14.190 -2.539) 18.288 3.321 ( -1.914 4.561 0.536) 4.975 3.358 ( -5.507 2.550 -0.098) 6.069 3.400 ( 0.017 6.357 -1.170) 6.464 3.469 ( 1.551 4.699 -2.057) 5.359 3.607 ( -6.271 2.016 2.926) 7.207 3.650 ( -0.080 3.680 3.506) 5.083 3.732 ( -0.292 1.585 -1.244) 2.036 3.794 ( -2.101 0.009 -1.165) 2.402 3.907 ( 4.078 4.573 0.576) 6.154 3.941 ( 3.742 3.679 3.581) 6.353 4.058 ( -0.197 -0.499 1.378) 1.479 4.081 ( -6.212 2.431 5.569) 8.690 4.285 ( 2.734 -6.051 -2.387) 7.056 4.508 ( 0.415 -5.063 -21.649) 22.237 4.734 ( 0.293 -2.039 -6.420) 6.743 4.835 ( -2.097 -1.294 -5.747) 6.253 4.875 ( -4.619 -4.389 -0.491) 6.390 4.929 ( 8.439 0.768 -3.270) 9.083 5.026 ( 5.694 -2.118 -8.333) 10.313 5.128 ( 1.027 -6.670 -4.314) 8.010 5.155 ( 2.777 1.742 6.494) 7.275 5.271 ( -0.423 1.272 1.453) 1.977 5.367 ( -0.544 -2.858 -4.560) 5.409 5.541 ( -0.619 -7.394 5.269) 9.101 5.615 ( 3.001 -1.708 -3.848) 5.170 5.782 ( 3.587 2.799 2.011) 4.974 5.997 ( -3.071 -1.737 3.665) 5.087 6.264 ( 5.715 -1.416 6.553) 8.809 6.421 ( -9.804 13.561 11.569) 20.344 6.673 ( -15.257 26.515 8.389) 31.720 7.883 ( -6.835 4.686 -3.571) 9.023 8.047 ( -0.789 4.471 -2.484) 5.175 8.101 ( -5.672 10.552 3.743) 12.551 8.317 ( -5.087 9.303 0.524) 10.616 8.331 ( -4.585 4.220 -0.468) 6.249 8.500 ( -1.285 3.615 -0.897) 3.941 9.226 ( 0.540 -3.325 -1.920) 3.877 9.400 ( 0.743 -2.598 0.991) 2.878 9.532 ( 2.221 -4.465 -9.361) 10.607 9.659 ( 3.811 -6.591 -7.876) 10.954 9.832 ( 2.820 -2.845 12.456) 13.085 10.200 ( 0.958 -4.616 4.230) 6.334 10.356 ( 5.515 -5.339 1.595) 7.840 10.438 ( 5.320 -5.585 -2.029) 7.975 10.549 ( 0.115 -5.749 -3.909) 6.953 10.643 ( 6.156 -8.424 3.437) 10.985 12.118 ( 2.032 -3.918 0.128) 4.415 12.247 ( 3.564 -2.863 0.526) 4.602 12.625 ( 6.887 -10.707 4.255) 13.423 12.914 ( 2.092 -7.193 -12.904) 14.921 13.088 ( -3.264 5.885 -0.171) 6.732 13.107 ( -2.594 5.020 -0.378) 5.663 13.725 ( 0.670 0.767 -0.785) 1.286 13.886 ( -1.005 -0.049 -7.608) 7.674 14.052 ( -3.213 5.355 6.690) 9.152 14.204 ( -2.629 4.936 1.003) 5.682 15.339 ( -2.866 4.121 -0.565) 5.051 15.377 ( -0.716 4.095 -1.814) 4.536 15.684 ( -2.429 2.275 9.197) 9.781 15.946 ( 1.092 -3.172 -1.413) 3.641 16.520 ( 1.424 -2.938 0.403) 3.290 16.559 ( 1.873 -3.546 -1.115) 4.162 20.316 ( -0.065 0.641 0.983) 1.176 20.507 ( 0.779 -2.354 -1.157) 2.736 20.567 ( 1.906 -3.553 2.097) 4.545 20.765 ( 1.727 -1.220 -10.757) 10.963 26.659 ( -1.358 1.290 0.460) 1.929 26.671 ( -0.027 -0.011 -0.137) 0.140 26.685 ( -1.365 3.057 0.445) 3.378 26.771 ( 0.035 0.868 0.463) 0.984 27.036 ( 4.379 -1.318 1.614) 4.849 27.137 ( -2.093 -1.747 -13.615) 13.886 28.336 ( 0.316 0.550 -0.793) 1.015 28.440 ( -0.826 -0.328 0.862) 1.238 28.479 ( 4.998 -3.609 -1.996) 6.480 28.625 ( 1.685 -7.332 2.781) 8.020 28.754 ( 2.913 -5.691 2.825) 6.989 29.038 ( 6.545 -13.468 -17.208) 22.811 30.952 ( -1.404 1.780 -1.040) 2.495 31.124 ( 2.231 -1.166 -1.722) 3.050 31.202 ( -1.566 -1.666 -0.280) 2.303 31.413 ( 6.230 -8.238 1.612) 10.454 32.118 ( -15.704 28.643 41.037) 52.450 32.983 ( -12.569 20.754 -7.556) 25.413 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 8.790 -18.078 14.312) 24.676 2.123 ( 12.593 -19.189 6.335) 23.810 2.362 ( 2.100 -3.150 -13.796) 14.306 2.453 ( 1.940 -1.720 -8.572) 8.955 2.683 ( -10.099 9.960 -4.687) 14.939 2.871 ( 0.538 5.534 2.174) 5.970 3.085 ( -7.548 9.796 -1.371) 12.443 3.239 ( 0.545 8.083 -6.708) 10.519 3.364 ( 2.624 3.445 0.250) 4.338 3.470 ( -6.120 -1.913 2.454) 6.865 3.541 ( 0.956 4.745 5.327) 7.198 3.646 ( 0.032 -0.081 -7.008) 7.009 3.702 ( -2.732 0.568 3.239) 4.275 3.816 ( 0.509 -3.227 0.716) 3.344 3.889 ( 2.525 4.407 1.249) 5.230 3.911 ( 1.061 0.861 7.816) 7.935 4.043 ( -1.950 -2.468 6.835) 7.524 4.122 ( 1.135 -5.425 6.266) 8.365 4.406 ( 4.058 -4.030 -6.278) 8.492 4.601 ( 3.033 -9.468 -7.118) 12.227 4.697 ( 0.068 1.392 -10.758) 10.848 4.839 ( 0.821 -2.002 -0.320) 2.188 4.881 ( -6.492 -1.001 -3.316) 7.358 4.996 ( 2.365 0.058 -2.853) 3.706 5.043 ( 7.145 3.529 1.963) 8.207 5.121 ( -0.213 -0.430 -9.152) 9.164 5.223 ( 2.404 1.886 -10.545) 10.979 5.274 ( -1.215 -5.414 7.252) 9.131 5.420 ( 1.613 -3.101 5.209) 6.273 5.538 ( -1.037 7.997 -2.606) 8.475 5.694 ( -0.451 -4.242 4.646) 6.307 5.789 ( 1.724 1.168 6.297) 6.632 5.945 ( -8.731 2.686 4.221) 10.063 6.122 ( -1.367 10.755 8.008) 13.478 6.278 ( -5.332 7.085 3.679) 9.600 6.416 ( 0.424 -3.402 -1.471) 3.731 7.715 ( -3.967 4.562 -3.252) 6.864 7.896 ( -4.620 6.770 2.609) 8.602 8.010 ( -0.026 0.913 1.633) 1.871 8.115 ( -4.516 6.626 0.316) 8.025 8.214 ( -1.947 4.553 -0.800) 5.016 8.441 ( -0.161 1.723 -2.403) 2.961 9.290 ( 0.075 -3.957 -0.876) 4.053 9.453 ( 0.091 -1.746 2.906) 3.391 9.593 ( 2.693 -2.662 -6.027) 7.118 9.738 ( 1.506 -3.434 -7.999) 8.835 9.947 ( 1.965 -1.670 11.635) 11.918 10.286 ( -0.124 -2.231 6.298) 6.682 10.494 ( 3.722 -5.329 -5.613) 8.589 10.554 ( 5.689 -1.388 -3.539) 6.842 10.634 ( -0.616 -5.459 -2.290) 5.952 10.829 ( 3.459 -4.829 1.685) 6.175 12.208 ( 1.972 -3.262 0.260) 3.820 12.339 ( 2.641 -3.262 0.287) 4.207 12.764 ( -0.109 0.370 1.845) 1.885 12.873 ( -3.354 4.035 -2.353) 5.751 13.015 ( 0.122 -0.015 0.948) 0.956 13.054 ( 0.253 0.030 -2.760) 2.772 13.710 ( 0.388 0.566 -0.469) 0.831 13.876 ( 0.301 -1.594 -4.347) 4.640 13.933 ( -3.842 5.534 3.215) 7.465 14.113 ( -1.034 3.730 1.964) 4.340 15.259 ( -1.376 1.908 -0.696) 2.453 15.316 ( 0.662 1.602 -3.270) 3.700 15.659 ( -3.407 1.460 7.905) 8.731 16.000 ( 1.663 -1.983 -1.869) 3.192 16.595 ( 1.480 -2.912 0.645) 3.330 16.635 ( 1.662 -2.958 -0.685) 3.461 20.304 ( -0.492 0.948 1.909) 2.188 20.555 ( 0.348 -2.670 -1.722) 3.197 20.652 ( 1.743 -3.169 1.772) 4.027 20.723 ( 0.357 2.375 -5.569) 6.065 26.586 ( -1.980 2.897 2.874) 4.536 26.670 ( -0.060 -0.101 -0.068) 0.136 26.673 ( 0.181 0.130 0.109) 0.248 26.771 ( 0.104 -0.065 1.747) 1.752 27.067 ( -2.440 -0.520 -10.357) 10.653 27.132 ( 5.188 -2.163 -0.817) 5.680 28.322 ( -0.036 0.844 -0.174) 0.863 28.441 ( -1.079 -0.588 0.434) 1.303 28.582 ( 4.341 -3.268 -3.253) 6.333 28.773 ( 0.417 -5.972 2.989) 6.691 28.851 ( 0.572 -1.342 3.922) 4.184 29.220 ( 5.055 -8.753 -11.615) 15.397 30.900 ( -1.607 1.837 -0.580) 2.509 31.148 ( 1.910 0.253 -1.358) 2.357 31.214 ( -1.252 -1.187 0.056) 1.726 31.659 ( 5.121 -7.315 4.495) 9.997 31.749 ( -7.260 13.102 25.574) 29.638 32.450 ( -11.685 19.298 -11.065) 25.127 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -6.868 18.362 -0.227) 19.605 2.455 ( -0.054 -4.364 -6.151) 7.542 2.478 ( 5.182 -5.712 8.675) 11.607 2.540 ( 8.349 -10.103 8.234) 15.478 2.579 ( 0.772 -5.317 -6.698) 8.587 2.765 ( 2.648 0.487 1.878) 3.283 2.962 ( -2.857 -4.284 -2.290) 5.636 3.077 ( 2.161 6.670 -10.485) 12.613 3.348 ( 3.751 4.347 -0.746) 5.790 3.413 ( 0.640 1.149 -0.837) 1.559 3.475 ( -2.756 0.446 2.152) 3.525 3.613 ( -0.362 0.113 -7.094) 7.104 3.675 ( -4.233 -0.836 3.451) 5.525 3.852 ( 0.887 -0.085 -0.406) 0.979 3.884 ( 0.569 1.841 5.124) 5.475 3.966 ( 0.503 -1.016 7.457) 7.543 4.038 ( -7.080 -1.334 6.405) 9.640 4.303 ( 0.463 -2.999 3.384) 4.545 4.410 ( -3.190 8.854 -7.690) 12.153 4.489 ( -5.645 0.612 -6.791) 8.852 4.666 ( 1.277 0.595 -11.238) 11.326 4.844 ( 3.286 -1.433 -5.888) 6.894 5.009 ( -0.135 -3.136 -4.408) 5.411 5.058 ( 6.629 -11.082 7.321) 14.844 5.067 ( -1.456 -1.917 -10.776) 11.042 5.130 ( 6.016 0.737 -2.731) 6.648 5.147 ( 2.743 -0.057 -2.972) 4.044 5.371 ( 0.571 0.342 8.743) 8.768 5.382 ( -4.512 3.754 7.411) 9.454 5.516 ( 3.291 -2.687 2.691) 5.029 5.701 ( -1.213 3.479 1.510) 3.982 5.770 ( -0.555 2.034 0.523) 2.172 5.848 ( -5.328 2.422 5.392) 7.958 6.067 ( 1.152 0.746 5.500) 5.668 6.222 ( -4.757 -1.403 3.801) 6.249 6.417 ( -0.269 1.932 -2.470) 3.147 7.652 ( 1.325 -0.669 -2.827) 3.193 7.814 ( -0.603 0.403 2.700) 2.796 7.996 ( -1.681 -0.727 0.301) 1.856 8.050 ( 0.783 -0.303 3.103) 3.215 8.160 ( 1.628 0.451 -0.961) 1.944 8.412 ( 0.450 0.487 -3.591) 3.651 9.349 ( -0.234 -2.807 -0.181) 2.822 9.481 ( -0.802 -0.518 2.515) 2.690 9.618 ( 2.094 0.993 -1.001) 2.524 9.756 ( 0.390 -1.322 -8.163) 8.279 10.017 ( 0.938 0.673 11.495) 11.552 10.322 ( -0.811 0.788 5.179) 5.301 10.545 ( -0.457 -1.862 -8.494) 8.708 10.563 ( 1.850 2.647 -4.240) 5.330 10.692 ( -0.931 -1.897 -0.388) 2.149 10.872 ( -0.881 1.848 -0.740) 2.177 12.255 ( 0.287 -0.231 0.423) 0.561 12.382 ( -0.573 0.630 -0.238) 0.885 12.748 ( 0.406 -0.314 -0.002) 0.513 12.791 ( -0.548 0.852 -0.350) 1.072 13.010 ( -1.482 0.893 -0.415) 1.779 13.078 ( 2.024 -2.047 0.140) 2.882 13.722 ( 1.207 -0.964 -0.361) 1.586 13.832 ( -2.013 3.153 2.632) 4.574 13.911 ( 1.394 -3.249 -4.036) 5.366 14.073 ( 0.258 1.361 2.710) 3.043 15.239 ( 0.264 -0.320 -0.509) 0.657 15.305 ( 1.432 -0.644 -4.015) 4.311 15.624 ( -4.371 1.367 7.207) 8.538 16.028 ( 1.515 0.009 -1.663) 2.250 16.630 ( -0.266 0.282 0.337) 0.514 16.677 ( 0.331 -0.500 0.006) 0.600 20.296 ( -0.493 0.087 2.123) 2.181 20.570 ( -1.162 -0.184 -3.365) 3.565 20.665 ( -0.040 2.823 -0.191) 2.830 20.744 ( 2.846 -4.550 -0.043) 5.367 26.564 ( 0.740 0.402 3.923) 4.013 26.672 ( 0.119 -0.077 0.080) 0.163 26.673 ( 0.030 0.039 0.104) 0.115 26.785 ( -0.804 -0.830 2.790) 3.020 27.004 ( -2.341 0.091 -8.997) 9.297 27.231 ( 5.072 -3.205 -1.597) 6.208 28.310 ( 0.427 0.553 -0.042) 0.700 28.442 ( -1.451 -0.798 0.140) 1.662 28.632 ( 1.005 -0.420 -4.246) 4.383 28.839 ( -1.072 0.451 3.979) 4.146 28.844 ( -1.846 1.676 2.522) 3.547 29.390 ( 5.846 -8.755 -7.725) 13.057 30.859 ( -1.355 1.424 3.818) 4.294 31.140 ( -0.278 1.373 -0.084) 1.403 31.216 ( 0.418 0.585 0.151) 0.735 31.514 ( -6.400 9.717 19.063) 22.333 31.782 ( -5.075 8.778 -9.053) 13.593 32.220 ( 6.062 -9.723 -3.712) 12.044 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -8.860 24.233 3.168) 25.996 2.098 ( -11.364 24.296 -4.027) 27.123 2.566 ( 0.082 3.341 3.189) 4.619 2.622 ( -1.032 -1.498 -1.082) 2.117 2.864 ( -1.015 1.957 -2.976) 3.704 2.898 ( 5.282 -8.665 1.172) 10.216 3.066 ( 9.172 -10.051 -3.633) 14.084 3.136 ( 8.290 -10.338 -3.616) 13.736 3.338 ( 5.021 -0.750 -0.526) 5.104 3.427 ( -0.636 4.373 0.648) 4.466 3.487 ( 1.636 -3.576 3.657) 5.370 3.581 ( -2.772 -1.583 -5.825) 6.643 3.683 ( -2.925 -3.016 2.188) 4.737 3.792 ( -4.678 2.504 -0.010) 5.306 3.852 ( -2.052 1.681 5.012) 5.670 3.948 ( -0.090 3.762 4.668) 5.996 4.010 ( -0.946 -1.072 0.507) 1.517 4.180 ( -5.832 -1.749 9.421) 11.217 4.337 ( 1.135 3.313 -5.184) 6.256 4.581 ( -1.717 -10.198 -5.818) 11.866 4.668 ( 3.558 -2.301 -7.606) 8.706 4.882 ( 2.331 -1.420 -6.951) 7.468 4.990 ( 4.829 2.202 -14.330) 15.281 5.012 ( -1.600 -1.120 -5.440) 5.780 5.071 ( -2.231 1.473 -1.498) 3.065 5.196 ( -2.574 -0.614 3.684) 4.536 5.252 ( -1.698 3.445 7.937) 8.817 5.409 ( -0.342 0.931 9.032) 9.087 5.435 ( 3.099 -6.443 -0.135) 7.151 5.624 ( 0.146 1.186 3.703) 3.891 5.637 ( 1.798 -2.503 -4.145) 5.165 5.741 ( 1.071 -1.124 3.350) 3.693 5.810 ( 2.129 0.631 5.698) 6.115 6.031 ( -6.281 2.715 2.245) 7.202 6.249 ( -0.146 -4.192 1.590) 4.486 6.366 ( 1.116 3.268 1.792) 3.891 7.731 ( 4.799 -5.452 -3.775) 8.186 7.892 ( 4.148 -5.748 2.782) 7.615 8.061 ( 1.770 -5.018 2.865) 6.044 8.111 ( 1.464 -4.781 1.408) 5.195 8.223 ( 4.513 -3.862 -0.218) 5.943 8.403 ( 0.944 -0.562 -4.470) 4.603 9.376 ( -0.524 -0.759 -0.706) 1.162 9.469 ( -0.845 1.329 -1.446) 2.137 9.597 ( 0.045 3.719 6.477) 7.469 9.728 ( -0.355 0.691 -8.328) 8.364 10.036 ( 0.285 3.135 11.644) 12.062 10.237 ( -5.085 6.524 -5.189) 9.764 10.473 ( -1.425 5.837 -3.503) 6.955 10.521 ( -2.306 0.076 0.330) 2.331 10.671 ( -2.354 1.818 -0.546) 3.023 10.747 ( -4.012 8.513 -1.894) 9.600 12.224 ( -1.852 2.730 0.713) 3.375 12.312 ( -2.847 3.963 -0.340) 4.892 12.728 ( -1.944 3.986 0.422) 4.454 12.870 ( 4.184 -6.756 -1.433) 8.074 12.996 ( 0.105 -2.029 -0.041) 2.032 13.147 ( 2.586 -2.758 -0.766) 3.858 13.737 ( 1.709 0.765 -3.345) 3.834 13.825 ( 0.081 -2.290 3.521) 4.201 13.985 ( 2.249 -4.330 -3.298) 5.890 14.098 ( 1.538 -1.811 3.778) 4.463 15.270 ( 1.588 -2.422 -0.429) 2.928 15.326 ( 1.568 -1.677 -4.644) 5.181 15.590 ( -3.984 0.723 7.737) 8.733 16.014 ( 0.656 2.094 -1.191) 2.496 16.588 ( -1.695 2.931 0.292) 3.398 16.654 ( -1.311 2.364 -0.083) 2.704 20.313 ( 0.384 -0.999 2.222) 2.467 20.522 ( -1.952 1.779 -3.015) 4.008 20.611 ( -1.519 2.661 0.392) 3.089 20.866 ( 3.818 -5.360 -1.874) 6.842 26.614 ( 3.027 -1.863 3.136) 4.740 26.673 ( -0.033 0.032 0.066) 0.080 26.678 ( 0.623 -0.281 0.692) 0.973 26.803 ( -2.115 -1.527 3.102) 4.053 26.947 ( -2.234 0.206 -6.479) 6.856 27.324 ( 4.205 -3.227 -4.910) 7.225 28.315 ( 1.135 -0.304 -0.279) 1.207 28.440 ( -1.450 -0.558 0.294) 1.582 28.578 ( -2.397 3.260 -3.891) 5.614 28.755 ( -5.651 4.512 4.946) 8.761 28.814 ( 0.521 4.144 0.855) 4.263 29.546 ( 4.722 -6.272 -15.614) 17.477 30.886 ( 0.539 -1.402 18.876) 18.935 31.098 ( -2.031 1.970 1.163) 3.059 31.202 ( 1.947 2.421 0.235) 3.116 31.397 ( -4.561 4.641 11.440) 13.161 31.473 ( -6.214 10.425 -9.359) 15.326 32.608 ( 12.094 -19.778 -2.377) 23.305 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -8.220 24.350 12.211) 28.453 1.448 ( -15.179 31.069 -4.488) 34.868 2.220 ( -16.740 29.809 21.258) 40.259 2.602 ( 0.635 2.022 -7.553) 7.845 2.711 ( -2.386 4.059 -11.511) 12.437 3.105 ( 10.371 -6.860 -3.365) 12.882 3.314 ( 3.269 -9.524 -1.956) 10.258 3.370 ( 12.391 -7.705 -0.618) 14.604 3.434 ( 0.340 -7.791 -0.983) 7.860 3.502 ( 0.125 -1.752 1.738) 2.471 3.511 ( 3.854 -3.610 3.883) 6.555 3.656 ( -1.978 -7.952 1.287) 8.295 3.722 ( 0.324 -2.428 -0.157) 2.455 3.813 ( 1.307 1.065 2.744) 3.220 3.870 ( 1.632 -7.021 -2.054) 7.495 3.942 ( -2.654 -1.251 4.187) 5.112 4.026 ( -0.289 -1.380 -1.437) 2.014 4.216 ( 0.249 -0.265 6.142) 6.153 4.254 ( -1.556 3.770 -3.192) 5.179 4.682 ( -1.884 -6.501 -7.377) 10.012 4.755 ( 2.380 -5.016 -2.954) 6.289 4.839 ( -1.629 3.075 -7.427) 8.202 4.954 ( 3.848 1.276 -6.858) 7.966 5.005 ( -5.560 0.198 -0.714) 5.609 5.035 ( 2.159 -1.400 -1.186) 2.833 5.149 ( -5.205 1.380 -0.022) 5.384 5.209 ( -1.897 -0.135 -2.477) 3.123 5.386 ( -2.189 2.926 -0.401) 3.676 5.458 ( 0.082 5.057 -1.713) 5.340 5.566 ( 0.325 -0.837 -1.301) 1.581 5.660 ( -0.245 4.595 -0.616) 4.642 5.726 ( -5.280 2.480 0.773) 5.884 5.927 ( 5.226 -2.000 9.145) 10.721 5.999 ( 0.409 -1.243 -5.988) 6.129 6.358 ( 0.573 -2.039 7.397) 7.694 6.473 ( 9.915 -15.155 15.998) 24.165 7.874 ( 4.364 -6.575 -5.609) 9.682 8.100 ( 7.831 -8.260 3.250) 11.837 8.167 ( 0.688 -4.840 4.586) 6.704 8.290 ( 5.440 -8.906 -0.662) 10.457 8.353 ( 4.405 -4.950 0.267) 6.632 8.428 ( 1.907 -3.679 -4.173) 5.881 9.352 ( -1.199 1.535 -4.345) 4.761 9.417 ( -0.492 2.482 -1.806) 3.108 9.551 ( -1.704 4.134 11.075) 11.944 9.662 ( -0.502 2.482 -7.779) 8.181 9.931 ( -7.554 11.093 -8.145) 15.699 10.053 ( -2.069 3.707 8.238) 9.267 10.314 ( -3.880 7.467 -1.605) 8.567 10.469 ( -4.519 7.510 2.622) 9.148 10.528 ( -3.323 6.343 -0.381) 7.171 10.602 ( -2.103 2.655 0.432) 3.414 12.146 ( -2.766 3.307 0.798) 4.385 12.214 ( -2.556 3.463 -0.217) 4.310 12.543 ( -6.139 11.602 0.307) 13.130 13.042 ( 4.042 -7.449 -3.609) 9.212 13.096 ( 3.074 -6.197 0.274) 6.922 13.186 ( 1.147 0.259 -5.775) 5.893 13.721 ( 2.168 0.927 -5.595) 6.072 13.910 ( 1.187 -4.190 4.392) 6.185 14.062 ( 1.443 -3.467 -4.065) 5.535 14.190 ( 2.178 -3.988 4.738) 6.564 15.345 ( 2.369 -3.581 -1.466) 4.538 15.365 ( 2.084 -3.140 -1.517) 4.062 15.591 ( -2.231 -0.748 8.704) 9.016 15.962 ( -0.414 3.403 -0.543) 3.470 16.519 ( -1.493 2.656 0.262) 3.058 16.581 ( -1.945 3.464 -0.680) 4.030 20.348 ( 1.264 -0.820 2.298) 2.748 20.455 ( -2.559 1.890 -2.415) 3.995 20.548 ( -2.105 2.303 0.186) 3.126 20.962 ( 2.345 -2.781 -8.162) 8.936 26.662 ( 0.403 -0.363 0.131) 0.558 26.672 ( -0.023 0.062 -0.051) 0.083 26.741 ( 4.048 -3.310 2.746) 5.906 26.819 ( -3.332 -2.230 2.385) 4.665 26.900 ( -2.065 0.002 -4.406) 4.866 27.377 ( 3.203 -1.424 -10.583) 11.149 28.338 ( 1.144 -0.996 -0.985) 1.809 28.433 ( -1.188 0.277 1.039) 1.603 28.471 ( -2.731 3.461 -2.373) 5.007 28.622 ( -6.855 4.877 3.391) 9.070 28.714 ( -0.110 7.651 0.254) 7.656 29.480 ( -2.372 6.241 -37.043) 37.639 31.047 ( -1.713 1.513 1.564) 2.769 31.132 ( 3.622 -7.061 28.789) 29.863 31.172 ( 1.845 2.045 3.322) 4.316 31.257 ( -2.596 4.861 -3.974) 6.794 31.390 ( 1.442 -3.816 25.483) 25.808 33.068 ( 11.450 -19.000 -2.564) 22.331 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -11.094 20.837 18.741) 30.141 0.842 ( -4.258 19.683 26.770) 33.499 1.575 ( -18.766 33.150 44.359) 58.470 2.523 ( 0.009 2.230 -11.098) 11.320 2.603 ( 0.156 1.888 -11.996) 12.145 3.324 ( 9.733 -6.050 -1.796) 11.600 3.418 ( -0.846 -0.339 -2.532) 2.691 3.490 ( 4.739 -1.592 -4.359) 6.633 3.570 ( 1.558 -3.666 -1.897) 4.412 3.642 ( 6.120 -8.050 0.918) 10.154 3.663 ( 7.103 -3.449 5.863) 9.835 3.752 ( -1.882 -3.730 -0.370) 4.194 3.773 ( -2.750 -5.214 -1.321) 6.041 3.823 ( 0.072 -0.511 2.931) 2.976 3.945 ( -5.878 -1.250 0.090) 6.010 3.967 ( 2.886 -0.955 -0.939) 3.182 4.064 ( -5.280 -6.815 -3.119) 9.168 4.151 ( 0.978 4.083 -0.893) 4.292 4.211 ( -2.004 3.694 2.220) 4.753 4.716 ( 0.121 -0.354 -2.329) 2.359 4.758 ( -1.399 -2.293 -9.461) 9.835 4.832 ( 0.521 -2.088 -3.735) 4.311 4.943 ( -4.054 0.556 2.475) 4.782 4.985 ( 1.671 -3.517 -6.001) 7.153 5.042 ( 1.741 0.407 -14.129) 14.242 5.062 ( -5.016 1.767 2.287) 5.789 5.173 ( -1.383 0.576 -15.280) 15.353 5.294 ( -5.462 2.193 0.024) 5.885 5.333 ( -0.149 6.031 -2.559) 6.553 5.489 ( -3.766 11.167 -18.943) 22.310 5.510 ( -2.233 7.438 0.255) 7.770 5.659 ( 3.577 0.918 5.791) 6.869 5.885 ( -1.905 6.117 -3.500) 7.301 6.045 ( 1.998 0.394 8.429) 8.671 6.566 ( 4.047 -10.382 25.333) 27.675 7.200 ( 23.230 -40.225 34.242) 57.707 7.973 ( 0.164 -4.587 -6.713) 8.132 8.255 ( 1.618 -3.310 5.423) 6.557 8.350 ( 6.692 -5.534 -0.724) 8.714 8.395 ( 3.511 -2.240 -1.966) 4.605 8.528 ( 3.945 -6.187 -0.107) 7.338 8.550 ( 4.417 -6.929 -0.906) 8.266 9.275 ( -2.902 1.904 -5.688) 6.664 9.368 ( -0.579 1.458 -0.655) 1.700 9.499 ( -1.720 6.178 0.979) 6.487 9.576 ( -2.634 3.353 5.688) 7.109 9.626 ( -5.764 4.972 -13.783) 15.746 10.032 ( 0.620 3.087 10.744) 11.196 10.143 ( -4.268 6.263 0.239) 7.583 10.239 ( -2.936 10.334 2.180) 10.962 10.451 ( -2.013 1.933 -1.314) 3.085 10.543 ( -2.823 2.065 0.638) 3.556 12.073 ( -2.907 1.748 0.256) 3.402 12.147 ( -2.483 1.186 0.173) 2.757 12.264 ( -4.932 11.448 -0.188) 12.467 12.885 ( -12.350 22.589 -30.555) 39.955 13.220 ( 2.360 -4.463 0.108) 5.050 13.230 ( 2.615 -4.238 -0.069) 4.980 13.709 ( 2.502 0.393 -5.874) 6.397 14.011 ( 1.226 -3.343 4.706) 5.901 14.089 ( -0.252 -0.953 -5.172) 5.265 14.298 ( 1.284 -3.523 4.738) 6.042 15.448 ( 2.081 -3.877 0.493) 4.428 15.458 ( 3.413 -4.884 0.556) 5.984 15.669 ( 2.151 -6.364 12.364) 14.071 15.896 ( -0.912 2.735 0.240) 2.893 16.480 ( -0.468 0.777 0.210) 0.931 16.506 ( -1.211 2.199 -0.974) 2.693 20.373 ( -0.743 0.232 0.956) 1.233 20.398 ( 0.149 1.051 -1.121) 1.544 20.496 ( -2.320 1.004 -0.387) 2.557 20.842 ( -6.330 12.177 -21.433) 25.451 26.666 ( 0.014 -0.101 0.025) 0.105 26.670 ( -0.067 0.060 -0.065) 0.112 26.805 ( -9.047 -4.133 0.448) 9.957 26.852 ( 3.639 0.191 -0.795) 3.729 26.888 ( 0.466 -2.507 -0.663) 2.635 27.296 ( 0.038 9.079 -18.830) 20.905 28.350 ( -0.115 -0.083 -2.326) 2.330 28.389 ( -3.457 0.150 -0.355) 3.478 28.435 ( -0.342 0.396 1.071) 1.193 28.498 ( -3.711 3.232 1.359) 5.105 28.565 ( -0.428 8.019 -0.301) 8.036 28.927 ( -14.032 27.289 -34.664) 46.295 31.017 ( -1.171 0.345 0.425) 1.292 31.095 ( -0.728 2.741 -1.615) 3.263 31.185 ( 1.644 1.991 -1.001) 2.770 31.234 ( -2.711 0.208 2.109) 3.442 32.291 ( 32.701 -51.979 76.254) 97.907 33.440 ( 7.230 -12.231 -1.367) 14.274 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 11.227 0.000 31.449) 33.393 1.244 ( 13.865 0.000 29.816) 32.882 2.269 ( 29.266 0.000 52.996) 60.540 2.370 ( 2.506 0.000 -17.660) 17.837 2.456 ( 1.813 0.000 -20.407) 20.488 3.232 ( -9.663 -0.000 -1.226) 9.741 3.432 ( -5.594 -0.000 -2.722) 6.221 3.447 ( -3.234 -0.000 1.565) 3.593 3.559 ( -4.567 -0.000 -8.705) 9.830 3.631 ( -4.999 -0.000 0.005) 4.999 3.642 ( -4.463 -0.000 4.996) 6.699 3.777 ( -0.821 -0.000 0.325) 0.883 3.787 ( -2.439 -0.000 2.011) 3.161 3.900 ( 1.256 0.000 1.913) 2.288 3.948 ( 0.220 0.000 3.331) 3.339 4.018 ( -3.877 -0.000 -3.541) 5.250 4.026 ( 1.050 0.000 -0.254) 1.080 4.094 ( -1.842 -0.000 5.237) 5.552 4.132 ( 1.961 0.000 -5.458) 5.799 4.416 ( 1.974 0.000 -35.014) 35.070 4.687 ( -0.781 -0.000 -13.844) 13.866 4.766 ( -6.973 -0.000 3.343) 7.733 4.822 ( 1.379 0.000 3.309) 3.585 4.870 ( 9.530 0.000 -7.862) 12.355 4.963 ( -1.393 -0.000 -4.303) 4.523 5.087 ( 1.352 0.000 -9.150) 9.249 5.148 ( 4.798 0.000 2.523) 5.421 5.203 ( 2.801 0.000 -2.452) 3.723 5.282 ( 0.182 0.000 8.447) 8.449 5.471 ( 4.985 0.000 -4.273) 6.566 5.553 ( 7.582 0.000 0.583) 7.605 5.752 ( 3.904 0.000 2.540) 4.658 6.067 ( 0.170 0.000 1.265) 1.276 6.079 ( 10.448 0.000 0.112) 10.449 6.828 ( -21.868 -0.000 27.311) 34.988 7.476 ( -42.266 -0.000 10.599) 43.574 7.957 ( -7.401 -0.000 -2.576) 7.837 8.175 ( -4.507 -0.000 -7.627) 8.860 8.315 ( -8.556 -0.000 1.505) 8.687 8.430 ( -4.366 -0.000 1.795) 4.720 8.514 ( -7.084 -0.000 -0.103) 7.085 8.587 ( -5.465 -0.000 -0.887) 5.536 9.214 ( 2.943 0.000 -2.125) 3.630 9.358 ( 1.407 0.000 -1.249) 1.881 9.406 ( 2.636 0.000 -9.423) 9.785 9.470 ( 8.113 0.000 -4.362) 9.211 9.759 ( 1.702 0.000 13.778) 13.882 10.139 ( 5.394 0.000 3.071) 6.207 10.240 ( 7.177 0.000 2.826) 7.713 10.245 ( 6.458 0.000 4.142) 7.672 10.407 ( 6.158 0.000 -0.860) 6.218 10.494 ( 5.551 0.000 -5.128) 7.557 12.126 ( 3.208 0.000 0.390) 3.232 12.156 ( 3.793 0.000 -1.212) 3.982 12.319 ( 14.342 0.000 3.200) 14.695 12.493 ( 28.348 0.000 -17.694) 33.417 13.220 ( -5.311 -0.000 0.081) 5.312 13.229 ( -4.986 -0.000 0.096) 4.987 13.731 ( 1.579 0.000 -0.416) 1.633 13.888 ( -3.230 -0.000 -11.330) 11.781 14.162 ( -2.388 -0.000 9.697) 9.986 14.311 ( -4.651 -0.000 0.375) 4.666 15.435 ( -4.387 -0.000 -0.041) 4.388 15.481 ( -3.451 -0.000 -0.727) 3.527 15.785 ( -6.188 -0.000 8.098) 10.191 15.864 ( 0.247 0.000 -0.478) 0.538 16.475 ( 0.624 0.000 0.099) 0.632 16.495 ( 1.459 0.000 -0.489) 1.539 20.347 ( 1.656 0.000 -1.345) 2.133 20.423 ( 2.857 0.000 -1.830) 3.393 20.489 ( 1.173 0.000 0.957) 1.514 20.650 ( 11.947 0.000 -8.236) 14.511 26.665 ( -0.131 -0.000 -0.018) 0.132 26.670 ( 0.051 0.000 -0.035) 0.061 26.792 ( -4.037 -0.000 -0.813) 4.118 26.832 ( 5.377 0.000 -6.171) 8.185 26.966 ( -3.092 -0.000 -2.842) 4.200 27.051 ( 5.797 0.000 0.761) 5.847 28.334 ( 1.834 0.000 -1.495) 2.366 28.433 ( -0.866 -0.000 0.724) 1.128 28.444 ( 1.890 0.000 0.193) 1.900 28.453 ( 1.766 0.000 -0.171) 1.775 28.614 ( 18.859 0.000 -9.513) 21.122 28.643 ( 8.031 0.000 1.944) 8.262 31.025 ( 1.293 0.000 0.678) 1.459 31.056 ( 0.961 0.000 -1.135) 1.487 31.170 ( -0.720 -0.000 -2.431) 2.535 31.271 ( 4.747 0.000 1.985) 5.145 32.955 ( -45.795 -0.000 31.149) 55.385 33.404 ( -16.676 -0.000 -3.123) 16.966 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 15.805 -11.299 22.814) 29.966 1.568 ( 16.407 -7.707 21.290) 27.962 2.321 ( 1.457 -0.063 -22.446) 22.493 2.376 ( 0.936 -0.926 -20.473) 20.516 2.809 ( 19.350 -4.027 33.410) 38.819 3.093 ( -12.553 2.743 1.130) 12.899 3.302 ( -9.017 5.636 -2.137) 10.846 3.403 ( -0.993 3.697 -0.520) 3.863 3.422 ( -4.175 -0.699 2.426) 4.879 3.555 ( -2.137 4.344 0.041) 4.841 3.618 ( -2.682 2.035 2.266) 4.058 3.734 ( -1.304 2.994 3.002) 4.436 3.753 ( -1.376 1.647 -0.424) 2.188 3.821 ( -2.570 5.449 1.182) 6.139 3.955 ( -3.528 -0.643 -0.969) 3.715 3.993 ( -3.701 -1.904 1.902) 4.577 4.025 ( -0.183 -1.543 1.353) 2.060 4.104 ( 0.604 2.270 3.686) 4.371 4.208 ( 3.390 -4.444 -0.919) 5.665 4.345 ( 4.656 -2.697 -28.206) 28.714 4.660 ( -0.046 -2.379 -7.916) 8.266 4.731 ( -6.415 -2.047 -2.299) 7.115 4.819 ( -0.013 -0.205 1.228) 1.245 4.954 ( 6.308 -2.987 -7.872) 10.520 5.008 ( 6.314 -3.315 -6.196) 9.447 5.089 ( 5.119 -0.632 -2.055) 5.553 5.205 ( -1.598 -2.618 -2.199) 3.774 5.275 ( 6.273 -2.400 1.080) 6.803 5.321 ( -0.857 -0.365 7.536) 7.593 5.502 ( 4.843 -0.172 -2.509) 5.457 5.615 ( 4.081 -0.564 -0.407) 4.140 5.829 ( 2.756 -2.274 0.664) 3.635 6.014 ( 0.924 4.897 1.709) 5.268 6.246 ( 6.476 -5.387 -0.965) 8.478 6.576 ( -21.332 10.630 18.522) 30.184 6.911 ( -29.791 19.252 5.843) 35.948 7.868 ( -6.297 1.936 -0.567) 6.612 8.069 ( -4.235 1.930 -6.096) 7.669 8.242 ( -9.788 4.395 0.608) 10.747 8.293 ( -4.848 4.314 3.054) 7.173 8.369 ( -9.553 5.785 -0.756) 11.194 8.495 ( -6.055 2.417 -0.611) 6.548 9.233 ( 3.851 0.630 0.268) 3.912 9.388 ( 3.625 -1.290 -1.537) 4.143 9.453 ( 3.148 -4.060 -5.528) 7.546 9.584 ( 7.358 -4.482 -7.052) 11.134 9.856 ( 1.629 -2.669 13.026) 13.396 10.201 ( 5.657 -0.389 2.530) 6.209 10.328 ( 2.868 -3.703 -2.653) 5.383 10.389 ( 7.106 -5.181 2.956) 9.278 10.516 ( 7.359 -1.178 -2.606) 7.895 10.595 ( 8.498 -6.182 1.399) 10.601 12.127 ( 5.760 0.216 -0.124) 5.766 12.255 ( 3.554 -2.504 0.565) 4.384 12.563 ( 12.859 -7.770 4.600) 15.712 12.760 ( 11.560 -8.718 -14.281) 20.336 13.121 ( -6.833 3.778 0.004) 7.808 13.138 ( -6.287 3.415 0.128) 7.155 13.742 ( 0.859 0.515 -0.237) 1.029 13.823 ( -1.996 -1.089 -8.927) 9.212 14.128 ( -4.520 4.005 7.431) 9.575 14.236 ( -4.762 2.391 0.408) 5.344 15.360 ( -4.653 2.569 -0.360) 5.327 15.414 ( -3.075 2.649 -1.353) 4.278 15.735 ( -3.100 2.848 7.387) 8.502 15.899 ( 1.026 -3.041 -0.629) 3.270 16.501 ( 2.317 -1.507 0.324) 2.783 16.531 ( 2.939 -1.950 -0.945) 3.652 20.348 ( 2.095 1.139 -0.129) 2.388 20.475 ( 0.747 -2.544 -0.487) 2.696 20.526 ( 2.627 -1.904 0.437) 3.273 20.733 ( 4.798 -1.885 -7.961) 9.484 26.662 ( -0.327 0.173 0.172) 0.408 26.670 ( 0.008 0.002 -0.053) 0.054 26.728 ( -3.517 2.427 1.152) 4.425 26.805 ( 1.974 2.894 -2.309) 4.195 26.973 ( -2.933 -3.838 -5.973) 7.682 27.106 ( 4.566 0.115 -1.753) 4.892 28.380 ( 4.330 0.270 -0.707) 4.395 28.421 ( 0.713 -1.557 -0.818) 1.898 28.467 ( 0.244 -3.139 1.343) 3.423 28.557 ( 5.041 -3.142 0.043) 5.940 28.708 ( 6.599 -3.031 -0.390) 7.273 28.870 ( 11.512 -8.677 -9.139) 17.069 30.988 ( 0.193 3.331 0.160) 3.340 31.120 ( 3.226 -2.653 -0.908) 4.274 31.164 ( -0.007 -1.312 -2.597) 2.909 31.367 ( 5.845 -3.952 2.169) 7.382 32.472 ( -31.518 18.702 34.842) 50.568 33.074 ( -21.293 11.827 -7.835) 25.586 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 10.549 -12.637 13.098) 21.037 2.016 ( 17.450 -13.910 10.616) 24.712 2.263 ( 1.155 -4.534 -14.670) 15.398 2.396 ( 5.783 -3.842 -12.612) 14.397 2.733 ( -12.525 8.580 -2.336) 15.360 2.984 ( -2.895 8.104 3.763) 9.392 3.156 ( -5.988 5.882 -1.133) 8.470 3.344 ( -2.557 6.084 -1.187) 6.705 3.418 ( -0.957 1.524 9.671) 9.837 3.463 ( -0.529 5.573 -3.107) 6.403 3.605 ( 2.248 -2.523 1.768) 3.813 3.681 ( -0.068 4.684 1.081) 4.807 3.722 ( -1.391 4.293 2.049) 4.956 3.775 ( 0.688 -3.386 3.904) 5.213 3.923 ( -0.324 -1.121 3.858) 4.030 3.968 ( -8.020 0.507 2.555) 8.433 4.030 ( -0.628 1.727 1.085) 2.134 4.117 ( 5.483 -0.854 5.447) 7.775 4.329 ( 2.443 -5.130 -2.501) 6.208 4.397 ( 5.199 -9.489 -17.122) 20.254 4.684 ( -3.187 -1.272 -7.467) 8.218 4.699 ( -0.867 -4.351 -0.422) 4.456 4.859 ( 2.972 -1.761 -0.295) 3.467 5.012 ( 4.728 -0.660 -8.915) 10.113 5.101 ( 3.182 -0.995 -1.405) 3.618 5.160 ( -2.469 1.526 -6.054) 6.714 5.208 ( 3.756 -4.881 5.150) 8.029 5.312 ( 5.377 5.681 -5.702) 9.680 5.379 ( 2.450 -3.105 8.427) 9.309 5.562 ( -0.502 -2.232 1.100) 2.539 5.665 ( 3.574 -1.699 -0.309) 3.969 5.863 ( -3.261 -0.072 4.471) 5.534 5.919 ( -3.129 5.748 4.213) 7.784 6.244 ( -11.902 3.571 2.380) 12.652 6.312 ( -13.016 10.800 1.727) 17.001 6.475 ( 2.685 4.445 2.025) 5.574 7.756 ( -2.999 4.247 -1.270) 5.352 7.998 ( -3.520 2.390 -0.476) 4.281 8.018 ( -4.989 7.590 1.929) 9.286 8.151 ( -8.658 5.979 -1.065) 10.576 8.225 ( -6.824 0.390 0.696) 6.870 8.392 ( -6.715 0.996 -1.525) 6.958 9.271 ( 3.650 -0.502 0.447) 3.711 9.453 ( 4.124 -1.412 -0.404) 4.377 9.551 ( 3.485 -4.173 -0.997) 5.527 9.679 ( 4.185 -3.024 -7.667) 9.243 9.972 ( 0.989 -2.938 12.156) 12.545 10.280 ( 3.775 -1.448 2.346) 4.674 10.404 ( -0.077 -4.818 -4.728) 6.751 10.560 ( 6.661 -4.463 2.245) 8.327 10.604 ( 8.403 -1.094 -5.083) 9.882 10.785 ( 5.264 -5.404 0.435) 7.557 12.213 ( 6.914 -1.916 0.022) 7.175 12.342 ( 5.393 -2.066 0.595) 5.806 12.771 ( 2.959 -2.367 3.903) 5.440 12.866 ( 0.269 -1.091 -6.688) 6.782 12.991 ( -6.203 1.551 0.235) 6.398 13.018 ( -5.772 1.362 -0.427) 5.946 13.727 ( 0.847 0.793 -1.987) 2.300 13.817 ( -0.809 -2.137 -4.417) 4.973 14.007 ( -4.921 5.816 4.138) 8.669 14.154 ( -3.714 2.571 1.888) 4.896 15.275 ( -2.486 2.186 -0.595) 3.363 15.339 ( -0.871 2.266 -2.591) 3.550 15.687 ( -3.130 2.345 6.290) 7.407 15.968 ( 1.802 -3.138 -0.970) 3.747 16.572 ( 3.171 -2.628 0.669) 4.173 16.605 ( 3.241 -2.843 -0.811) 4.387 20.343 ( 1.393 1.836 0.943) 2.490 20.514 ( -0.193 -1.834 0.221) 1.857 20.603 ( 2.489 -3.480 -0.799) 4.352 20.745 ( 1.037 0.630 -4.130) 4.304 26.639 ( -1.155 2.596 3.285) 4.343 26.668 ( -0.134 0.065 -0.072) 0.165 26.681 ( -0.202 0.695 0.943) 1.189 26.777 ( -0.524 0.657 -0.113) 0.848 26.966 ( -2.748 -2.209 -8.976) 9.644 27.145 ( 3.797 -0.847 -0.685) 3.950 28.378 ( 3.511 2.899 1.171) 4.701 28.467 ( 3.060 -0.181 -2.548) 3.986 28.566 ( 4.145 -4.025 0.938) 5.853 28.666 ( 2.979 -4.897 -0.649) 5.769 28.829 ( 0.727 -4.522 3.835) 5.974 29.060 ( 5.016 -8.160 -9.573) 13.542 30.933 ( -0.458 2.909 1.401) 3.261 31.143 ( -0.089 -0.539 -4.161) 4.196 31.227 ( 5.593 -1.157 0.891) 5.780 31.548 ( 6.025 -9.063 0.821) 10.914 32.028 ( -19.332 16.990 29.566) 39.199 32.561 ( -19.594 16.067 -12.797) 28.387 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 5.446 -9.426 -2.150) 11.096 2.349 ( 0.001 -4.807 2.419) 5.381 2.402 ( 2.413 -9.630 8.134) 12.834 2.464 ( 7.522 -0.443 0.322) 7.541 2.589 ( 5.794 -5.667 -2.889) 8.604 2.845 ( -3.059 3.479 -0.431) 4.653 2.950 ( -2.880 9.558 -1.550) 10.102 3.166 ( -1.245 8.006 -9.138) 12.213 3.375 ( -0.250 2.255 1.258) 2.594 3.413 ( -2.161 -0.560 1.830) 2.886 3.547 ( -0.924 7.725 -3.730) 8.628 3.602 ( -1.692 1.629 -1.423) 2.746 3.652 ( -2.675 1.938 2.784) 4.320 3.876 ( -1.368 1.325 0.323) 1.932 3.896 ( -2.261 -5.497 4.834) 7.662 3.967 ( -0.526 4.184 3.010) 5.181 4.007 ( 0.709 -1.908 5.369) 5.741 4.253 ( 3.163 -4.821 2.564) 6.310 4.384 ( 1.437 -2.247 -7.702) 8.150 4.521 ( -2.514 0.761 -9.256) 9.621 4.661 ( 2.689 0.523 -6.210) 6.787 4.812 ( 1.899 -4.462 -0.734) 4.905 4.932 ( -3.443 0.908 1.252) 3.775 4.955 ( 1.810 -3.623 -0.129) 4.052 5.011 ( 2.587 0.449 -9.451) 9.809 5.168 ( 2.503 0.749 -7.934) 8.353 5.250 ( 6.365 3.388 2.994) 7.808 5.379 ( 4.093 -3.931 9.128) 10.749 5.475 ( -5.119 3.605 4.618) 7.779 5.498 ( 1.418 -0.739 2.423) 2.903 5.736 ( -1.255 0.571 3.034) 3.332 5.798 ( -4.809 4.286 1.503) 6.615 5.814 ( -3.961 -1.302 1.646) 4.482 6.094 ( -8.870 -0.213 1.436) 8.988 6.157 ( -1.112 1.200 3.106) 3.510 6.494 ( 5.513 2.938 -0.658) 6.282 7.682 ( 2.443 2.362 -1.942) 3.914 7.853 ( -2.016 4.294 2.406) 5.319 7.964 ( -4.389 0.816 1.743) 4.793 8.028 ( -4.109 -0.918 0.008) 4.210 8.169 ( -2.581 -0.041 -0.538) 2.637 8.320 ( -7.987 -2.348 -2.866) 8.805 9.325 ( 2.879 -1.357 0.649) 3.248 9.502 ( 3.455 0.312 -0.027) 3.469 9.640 ( 2.223 -1.785 2.689) 3.919 9.721 ( 3.167 -1.163 -7.356) 8.093 10.069 ( 0.272 -1.669 11.806) 11.926 10.324 ( 0.364 -0.360 -3.408) 3.446 10.455 ( -1.659 -3.412 0.504) 3.827 10.643 ( 7.027 2.338 -8.458) 11.242 10.686 ( 4.538 -1.103 2.857) 5.475 10.870 ( 0.597 -1.128 -2.202) 2.545 12.303 ( 7.076 0.762 0.198) 7.120 12.422 ( 5.414 0.636 0.199) 5.455 12.755 ( -1.362 1.840 0.834) 2.437 12.797 ( -3.004 2.219 -1.248) 3.938 12.954 ( -6.216 -2.240 -0.145) 6.609 13.000 ( -4.822 -4.370 -0.126) 6.509 13.729 ( 1.634 0.214 -0.121) 1.652 13.840 ( -0.285 -3.379 -4.111) 5.329 13.889 ( -2.517 4.370 2.557) 5.654 14.092 ( -2.969 1.239 2.046) 3.813 15.238 ( -0.208 0.352 -0.468) 0.621 15.301 ( 0.705 0.655 -3.461) 3.592 15.639 ( -3.748 1.964 6.531) 7.782 16.025 ( 1.699 -1.604 -1.508) 2.781 16.636 ( 1.864 -0.763 0.438) 2.061 16.672 ( 2.110 -1.440 -0.169) 2.560 20.326 ( 1.075 1.724 1.766) 2.692 20.533 ( -1.370 -1.069 -1.056) 2.033 20.681 ( 2.313 -2.239 -3.323) 4.627 20.720 ( 0.212 0.442 1.117) 1.219 26.614 ( 1.209 1.774 5.188) 5.615 26.668 ( -0.065 -0.227 0.040) 0.239 26.679 ( 0.150 0.223 0.686) 0.737 26.765 ( -2.591 -0.769 0.905) 2.850 26.933 ( -1.797 -0.889 -8.286) 8.525 27.205 ( 2.582 -2.625 -2.004) 4.192 28.372 ( 4.509 2.900 1.060) 5.465 28.477 ( 3.865 1.688 -1.563) 4.498 28.641 ( 4.302 1.111 -2.013) 4.877 28.774 ( -0.876 -5.974 0.406) 6.052 28.876 ( -2.400 0.911 5.787) 6.331 29.216 ( 1.607 -10.568 -8.309) 13.539 30.898 ( -0.409 1.750 5.890) 6.158 31.124 ( -1.427 -0.167 -4.178) 4.418 31.292 ( 7.496 2.013 1.608) 7.926 31.700 ( -9.624 9.138 17.395) 21.880 31.768 ( -2.856 -1.086 -1.007) 3.217 32.129 ( -7.854 3.626 -10.401) 13.528 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -6.154 18.062 3.604) 19.419 2.376 ( -1.736 13.054 -5.898) 14.429 2.545 ( 1.346 -3.030 -4.245) 5.386 2.644 ( 1.825 1.805 7.095) 7.546 2.796 ( 4.594 -9.768 2.545) 11.091 2.848 ( 2.716 -6.288 5.000) 8.481 2.964 ( 6.650 -10.818 -2.109) 12.872 3.020 ( 1.240 -1.189 -12.044) 12.166 3.388 ( 2.855 3.305 -5.386) 6.934 3.414 ( 2.378 -4.087 -1.256) 4.893 3.456 ( -2.123 -0.966 3.816) 4.472 3.536 ( -2.094 2.426 -4.942) 5.890 3.622 ( -3.729 -0.574 3.652) 5.251 3.817 ( -2.620 1.944 0.202) 3.269 3.900 ( -2.000 3.790 5.819) 7.226 3.986 ( -0.049 -1.117 1.508) 1.877 4.066 ( -0.100 -3.383 5.760) 6.681 4.156 ( -8.562 15.248 1.848) 17.585 4.354 ( -0.821 1.269 -3.178) 3.519 4.442 ( 3.071 -5.130 -2.826) 6.613 4.685 ( 6.205 0.173 -4.760) 7.823 4.816 ( -0.836 -3.474 -8.322) 9.057 4.964 ( 4.289 -1.967 -2.333) 5.263 4.970 ( 1.115 1.566 -11.343) 11.505 5.103 ( 0.442 1.170 -2.419) 2.723 5.198 ( 0.834 -5.305 2.584) 5.959 5.316 ( -6.373 5.286 3.975) 9.185 5.328 ( 4.085 -3.742 6.225) 8.333 5.472 ( 1.174 1.706 1.524) 2.571 5.562 ( -0.497 -2.885 2.255) 3.695 5.662 ( -3.532 1.394 0.677) 3.857 5.758 ( -2.668 -3.400 2.232) 4.864 5.839 ( 3.505 0.667 5.675) 6.704 6.014 ( -8.550 1.726 2.213) 8.999 6.181 ( 0.155 -2.336 1.702) 2.894 6.475 ( 4.102 4.432 1.390) 6.197 7.716 ( 6.453 -1.830 -2.691) 7.228 7.854 ( 1.991 -3.424 1.687) 4.306 7.973 ( -0.105 -4.743 1.448) 4.960 8.043 ( -3.774 -3.745 2.631) 5.932 8.188 ( 1.087 -3.411 -0.837) 3.677 8.286 ( -8.177 -4.626 -4.108) 10.253 9.369 ( 1.845 -0.426 0.076) 1.895 9.507 ( 2.160 2.129 -1.050) 3.209 9.667 ( 0.142 1.183 2.642) 2.898 9.731 ( 3.207 1.188 -3.634) 4.990 10.128 ( -0.248 0.383 11.639) 11.648 10.240 ( -4.942 4.090 -11.189) 12.898 10.500 ( -0.389 -0.600 6.150) 6.191 10.591 ( 4.303 6.031 -7.484) 10.531 10.705 ( 0.910 3.095 1.119) 3.414 10.826 ( -1.535 4.203 -1.986) 4.896 12.308 ( 3.927 5.255 0.680) 6.595 12.392 ( 1.470 6.073 -0.320) 6.256 12.751 ( -0.838 -0.174 0.626) 1.060 12.801 ( 2.831 -4.511 -1.170) 5.453 12.929 ( -5.249 -2.599 -0.012) 5.857 13.050 ( -4.352 -6.527 -0.332) 7.852 13.743 ( 0.748 -0.180 -0.480) 0.907 13.832 ( -0.092 1.317 2.367) 2.710 13.905 ( 1.342 -4.850 -3.751) 6.276 14.078 ( -1.795 -1.734 2.143) 3.290 15.247 ( 0.860 -1.249 -0.579) 1.623 15.299 ( 1.235 -0.829 -4.031) 4.297 15.601 ( -3.478 1.273 7.940) 8.762 16.041 ( 0.977 0.550 -1.857) 2.169 16.631 ( 0.054 2.494 0.381) 2.524 16.684 ( 0.305 1.517 -0.154) 1.555 20.331 ( 1.887 0.234 2.483) 3.127 20.510 ( -2.213 0.835 -1.722) 2.926 20.650 ( -0.584 2.860 -1.281) 3.188 20.798 ( 2.153 -4.847 -1.350) 5.473 26.640 ( 2.456 -0.075 3.307) 4.120 26.672 ( -0.087 -0.119 0.053) 0.156 26.686 ( 0.998 -0.192 2.570) 2.764 26.757 ( -4.119 -1.752 1.144) 4.620 26.899 ( -0.857 -0.147 -6.140) 6.201 27.265 ( 1.361 -3.507 -5.411) 6.591 28.375 ( 5.755 2.919 -0.249) 6.458 28.482 ( 3.855 1.776 0.255) 4.252 28.600 ( -0.501 3.972 -2.785) 4.877 28.796 ( -5.916 4.295 4.676) 8.678 28.850 ( 0.082 -0.953 2.104) 2.312 29.377 ( 1.004 -9.507 -12.575) 15.797 30.935 ( 0.580 -1.739 16.681) 16.781 31.087 ( -2.474 0.409 -3.188) 4.056 31.320 ( 7.680 4.454 1.921) 9.084 31.506 ( -7.564 7.901 14.423) 18.101 31.534 ( -8.492 9.684 -11.282) 17.122 32.330 ( 5.784 -19.843 -4.091) 21.070 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.598 23.401 8.909) 25.091 1.890 ( -4.494 30.882 -4.365) 31.511 2.562 ( -0.714 0.595 -9.732) 9.776 2.621 ( 1.001 7.763 8.618) 11.642 2.764 ( -2.404 9.090 -8.446) 12.639 2.986 ( 1.457 -12.538 -0.521) 12.634 3.208 ( 5.798 -5.172 -3.638) 8.579 3.259 ( 1.390 -11.284 -2.736) 11.693 3.352 ( 4.491 -2.141 1.428) 5.176 3.429 ( -4.890 -2.002 -1.992) 5.647 3.514 ( 0.739 -4.159 3.902) 5.751 3.532 ( 1.807 -2.883 1.971) 3.933 3.659 ( 0.990 -6.159 -0.166) 6.240 3.773 ( 0.038 0.803 1.187) 1.433 3.861 ( -1.554 0.033 6.314) 6.502 3.938 ( -3.042 3.936 0.738) 5.029 4.001 ( -0.851 -1.128 -0.001) 1.413 4.149 ( -3.522 -4.082 5.949) 8.028 4.316 ( 0.852 1.789 -4.225) 4.667 4.556 ( 2.606 -5.168 -3.494) 6.761 4.739 ( 6.082 -1.045 -2.746) 6.755 4.828 ( 0.206 -0.182 -6.217) 6.223 4.911 ( 1.527 0.372 -12.756) 12.852 5.027 ( 2.266 0.299 -0.347) 2.312 5.068 ( 0.926 1.997 3.170) 3.859 5.158 ( -2.495 5.102 -1.940) 6.002 5.200 ( -4.385 2.781 3.703) 6.377 5.410 ( -3.465 2.510 -2.371) 4.892 5.479 ( 3.370 -4.365 -0.264) 5.521 5.514 ( -6.808 0.539 -5.726) 8.913 5.711 ( 0.244 -1.453 3.664) 3.950 5.760 ( -0.870 3.062 7.676) 8.310 5.906 ( -4.192 -0.537 2.948) 5.153 5.990 ( 4.749 -5.256 7.372) 10.224 6.269 ( 0.061 -8.764 2.450) 9.101 6.454 ( 2.804 1.511 4.353) 5.394 7.830 ( 7.088 -3.870 -3.847) 8.945 8.006 ( 3.280 -9.256 0.075) 9.820 8.091 ( -3.200 -5.157 4.324) 7.452 8.141 ( 2.387 -10.721 1.888) 11.144 8.283 ( -4.196 -4.874 -4.019) 7.584 8.294 ( 0.269 -7.212 -0.942) 7.278 9.367 ( 0.709 1.938 -2.535) 3.268 9.463 ( -0.404 3.297 -0.749) 3.405 9.640 ( 1.128 2.583 -0.648) 2.892 9.710 ( 2.233 3.769 1.655) 4.682 10.000 ( -7.740 9.448 -12.840) 17.721 10.150 ( 0.676 2.786 11.695) 12.041 10.439 ( 1.851 8.797 -5.891) 10.748 10.512 ( -2.138 3.593 4.160) 5.898 10.637 ( -1.121 3.746 0.238) 3.917 10.693 ( 0.299 9.236 1.152) 9.312 12.224 ( 0.235 6.329 1.012) 6.414 12.285 ( 0.096 6.032 -0.545) 6.057 12.686 ( -1.756 7.454 1.673) 7.839 12.947 ( 4.833 -7.110 -2.359) 8.915 12.988 ( -0.440 -7.287 0.176) 7.303 13.111 ( -3.790 -4.844 -3.267) 6.964 13.733 ( 0.458 0.769 -2.981) 3.113 13.869 ( 1.361 -2.993 2.482) 4.120 13.987 ( 0.363 -4.410 -2.363) 5.016 14.135 ( -0.577 -4.784 2.323) 5.349 15.295 ( 1.208 -3.340 -0.917) 3.669 15.322 ( 1.231 -2.234 -3.286) 4.159 15.595 ( -2.274 -0.106 9.393) 9.665 16.011 ( 0.157 2.598 -1.775) 3.151 16.568 ( -0.580 3.918 0.408) 3.982 16.631 ( -0.628 3.798 -0.680) 3.909 20.365 ( 0.713 -0.635 2.308) 2.497 20.460 ( -0.286 2.014 -0.716) 2.157 20.583 ( -0.816 3.290 -0.941) 3.518 20.884 ( 0.574 -4.223 -5.990) 7.352 26.662 ( 0.462 -0.081 0.131) 0.487 26.672 ( -0.020 0.001 -0.004) 0.020 26.731 ( -1.086 -1.280 3.891) 4.238 26.761 ( -1.804 -3.100 0.872) 3.691 26.878 ( 1.654 0.468 -3.418) 3.826 27.306 ( 0.619 -3.261 -10.162) 10.691 28.382 ( 5.683 2.569 -1.607) 6.441 28.480 ( -2.654 1.989 -2.198) 3.979 28.509 ( 4.132 4.639 2.066) 6.547 28.651 ( -7.708 5.431 4.362) 10.389 28.830 ( 0.000 4.435 1.356) 4.638 29.403 ( -0.507 0.118 -23.929) 23.935 31.036 ( -2.942 0.315 -2.007) 3.575 31.134 ( 1.221 -7.169 25.066) 26.100 31.281 ( -1.811 6.678 -4.056) 8.021 31.318 ( 4.302 4.910 0.418) 6.541 31.425 ( -3.013 -0.588 18.371) 18.625 32.754 ( 4.596 -23.317 -4.779) 24.242 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.596 26.819 12.025) 29.611 1.311 ( -0.373 26.904 12.984) 29.875 2.281 ( 0.930 32.466 33.240) 46.473 2.503 ( 0.382 1.629 -15.470) 15.560 2.613 ( 0.922 3.374 -13.153) 13.610 3.243 ( 2.631 -13.538 -2.727) 14.058 3.304 ( -1.024 -10.247 -4.087) 11.079 3.389 ( -0.981 -1.237 -0.899) 1.816 3.482 ( -1.305 -5.909 -2.056) 6.391 3.492 ( -3.206 -9.540 1.600) 10.190 3.618 ( 0.911 -5.746 1.104) 5.921 3.686 ( 7.487 -7.831 2.509) 11.121 3.737 ( 0.619 -1.643 -0.627) 1.865 3.782 ( -6.597 -2.016 -0.135) 6.899 3.870 ( -1.441 1.156 0.591) 1.939 3.910 ( 0.037 -4.750 -0.704) 4.802 4.015 ( 2.486 1.194 -0.246) 2.769 4.180 ( -5.565 -2.658 2.822) 6.782 4.263 ( 1.684 4.411 -2.580) 5.380 4.633 ( 2.655 -3.063 -10.692) 11.434 4.766 ( -1.554 3.004 -1.728) 3.798 4.806 ( 4.222 -1.154 -3.904) 5.866 4.889 ( 1.249 -0.354 -8.758) 8.854 4.966 ( -0.777 2.322 -2.923) 3.813 5.030 ( -1.997 2.180 -5.836) 6.542 5.088 ( -0.825 3.249 4.802) 5.857 5.174 ( 4.015 1.756 -6.260) 7.641 5.287 ( -5.208 3.392 -1.012) 6.297 5.417 ( -1.492 2.632 -3.283) 4.464 5.511 ( -0.612 3.670 -1.555) 4.032 5.640 ( -1.476 6.111 -1.835) 6.549 5.721 ( 1.652 0.534 2.487) 3.034 5.972 ( 1.777 2.638 -0.462) 3.214 6.111 ( 2.401 -1.663 12.458) 12.796 6.434 ( -1.707 -11.093 11.649) 16.176 6.749 ( -0.379 -28.999 16.610) 33.422 7.936 ( 4.536 -2.784 -4.160) 6.755 8.166 ( -3.905 -8.828 0.879) 9.693 8.190 ( -6.001 -8.242 0.213) 10.197 8.337 ( 0.987 -7.301 -2.168) 7.680 8.382 ( 1.968 -9.648 1.437) 9.951 8.448 ( 3.153 -8.470 0.544) 9.054 9.284 ( -2.223 4.472 -4.848) 6.960 9.399 ( -0.974 2.781 0.526) 2.993 9.593 ( 2.531 3.230 -10.585) 11.352 9.675 ( 1.143 5.631 7.960) 9.817 9.693 ( -2.220 10.853 -7.387) 13.315 10.144 ( 0.086 3.694 11.251) 11.842 10.264 ( 1.510 9.691 -2.188) 10.049 10.406 ( -1.384 6.920 -0.367) 7.067 10.523 ( 2.349 8.402 1.918) 8.933 10.585 ( -1.215 4.436 0.732) 4.657 12.119 ( -1.439 5.043 0.938) 5.327 12.194 ( 1.143 4.407 -0.628) 4.596 12.494 ( 1.577 13.878 2.547) 14.197 13.012 ( 0.378 7.027 -15.892) 17.380 13.124 ( -0.439 -7.194 -0.090) 7.208 13.137 ( -0.584 -7.008 -0.433) 7.046 13.718 ( 1.362 0.352 -3.168) 3.466 13.949 ( 0.430 -3.859 -2.813) 4.795 14.045 ( -1.129 -3.194 2.493) 4.206 14.232 ( -0.886 -5.546 2.304) 6.071 15.376 ( 0.332 -5.010 -0.469) 5.042 15.385 ( 0.769 -4.838 -0.884) 4.978 15.637 ( -1.231 -2.380 10.549) 10.884 15.948 ( -0.139 3.570 -1.149) 3.753 16.505 ( -0.113 2.636 0.264) 2.652 16.551 ( -0.126 3.933 -1.155) 4.101 20.351 ( -3.478 0.435 -0.108) 3.506 20.461 ( 4.897 1.525 2.005) 5.507 20.518 ( -0.308 2.874 -0.868) 3.018 20.869 ( -1.269 2.299 -13.697) 13.947 26.665 ( 0.037 -0.041 0.052) 0.076 26.671 ( 0.010 0.100 -0.062) 0.118 26.728 ( -3.304 -1.064 1.344) 3.723 26.807 ( -2.914 -3.329 -1.167) 4.575 26.908 ( 6.036 0.027 1.018) 6.121 27.290 ( -0.572 0.192 -15.378) 15.390 28.376 ( -0.994 1.937 -1.634) 2.723 28.393 ( 2.664 2.675 -2.485) 4.520 28.490 ( -2.062 3.732 3.159) 5.306 28.532 ( 1.018 3.480 3.152) 4.804 28.715 ( -0.048 8.288 0.769) 8.324 29.141 ( -0.328 16.403 -28.515) 32.898 31.000 ( -2.286 -0.170 -1.049) 2.521 31.134 ( -0.829 3.187 -3.796) 5.025 31.234 ( -2.294 1.406 3.302) 4.260 31.281 ( 5.057 5.440 1.361) 7.551 31.900 ( 0.878 -34.238 55.213) 64.973 33.161 ( -0.161 -21.413 -4.139) 21.810 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 20.941 0.000 19.307) 28.483 1.753 ( 15.960 0.000 19.184) 24.955 2.237 ( -2.550 -0.000 -29.974) 30.083 2.285 ( 4.784 0.000 -18.318) 18.933 2.938 ( -16.497 -0.000 0.698) 16.512 3.159 ( 17.736 0.000 25.492) 31.055 3.291 ( -7.557 -0.000 2.003) 7.818 3.381 ( -3.973 -0.000 -1.605) 4.285 3.390 ( -3.949 -0.000 4.567) 6.038 3.580 ( -0.597 -0.000 -0.080) 0.602 3.618 ( -1.919 -0.000 4.631) 5.013 3.695 ( -7.665 -0.000 1.450) 7.801 3.784 ( 0.447 0.000 -0.165) 0.476 3.838 ( -6.903 -0.000 2.048) 7.200 3.852 ( -5.609 -0.000 0.319) 5.618 3.970 ( -3.884 -0.000 -3.289) 5.089 3.989 ( -0.260 -0.000 4.622) 4.629 4.173 ( 6.030 0.000 -2.869) 6.677 4.217 ( 5.583 0.000 7.824) 9.612 4.280 ( 5.365 0.000 -21.914) 22.561 4.632 ( 2.951 0.000 -5.065) 5.862 4.639 ( -7.433 -0.000 2.265) 7.770 4.823 ( 0.210 0.000 2.362) 2.372 4.959 ( 6.290 0.000 -9.305) 11.232 5.021 ( 7.497 0.000 -4.689) 8.843 5.108 ( 3.594 0.000 -1.745) 3.995 5.212 ( 1.364 0.000 -4.418) 4.623 5.266 ( 3.744 0.000 2.212) 4.348 5.338 ( -0.605 -0.000 5.161) 5.196 5.548 ( 5.355 0.000 -5.275) 7.517 5.653 ( 3.443 0.000 0.046) 3.444 5.839 ( 3.804 0.000 -1.238) 4.000 6.124 ( 3.723 0.000 3.554) 5.147 6.232 ( 4.306 0.000 -5.217) 6.764 6.484 ( -26.028 -0.000 16.055) 30.581 6.766 ( -30.523 -0.000 2.067) 30.593 7.818 ( -6.668 -0.000 1.204) 6.776 7.970 ( -8.793 -0.000 -6.134) 10.721 8.170 ( -5.975 -0.000 0.613) 6.006 8.311 ( -8.663 -0.000 2.250) 8.950 8.323 ( -10.260 -0.000 -0.783) 10.290 8.467 ( -4.066 -0.000 -1.866) 4.474 9.290 ( 4.604 0.000 2.163) 5.087 9.399 ( 4.983 0.000 -6.800) 8.431 9.450 ( 4.398 0.000 2.449) 5.034 9.597 ( 7.569 0.000 -7.217) 10.458 9.898 ( 1.333 0.000 12.869) 12.937 10.258 ( 5.402 0.000 -5.348) 7.601 10.326 ( 3.793 0.000 0.934) 3.906 10.424 ( 7.179 0.000 3.822) 8.133 10.588 ( 7.440 0.000 -5.056) 8.995 10.637 ( 10.657 0.000 4.802) 11.689 12.204 ( 3.956 0.000 0.798) 4.035 12.242 ( 5.358 0.000 -0.800) 5.417 12.666 ( 12.502 0.000 6.202) 13.956 12.759 ( 10.690 0.000 -11.517) 15.714 13.083 ( -7.482 -0.000 0.190) 7.485 13.098 ( -6.966 -0.000 -0.316) 6.973 13.750 ( -1.617 -0.000 -9.603) 9.738 13.763 ( 0.977 0.000 1.689) 1.951 14.145 ( -5.835 -0.000 7.231) 9.291 14.196 ( -5.721 -0.000 -0.827) 5.780 15.331 ( -4.757 -0.000 -0.413) 4.775 15.397 ( -3.261 -0.000 -1.561) 3.615 15.771 ( -2.387 -0.000 7.088) 7.480 15.866 ( 0.873 0.000 -1.863) 2.058 16.518 ( 3.470 0.000 0.540) 3.512 16.544 ( 3.647 0.000 -0.946) 3.768 20.381 ( 2.220 0.000 -0.251) 2.234 20.453 ( 0.740 0.000 0.017) 0.740 20.558 ( 4.114 0.000 1.250) 4.300 20.729 ( 2.976 0.000 -6.380) 7.040 26.661 ( -0.658 -0.000 0.489) 0.820 26.671 ( 0.046 0.000 -0.026) 0.053 26.705 ( -4.261 -0.000 1.366) 4.475 26.857 ( 2.734 0.000 -6.115) 6.699 26.887 ( -1.914 -0.000 -2.423) 3.088 27.153 ( 3.996 0.000 0.330) 4.010 28.360 ( 1.113 0.000 -0.773) 1.355 28.421 ( -1.062 -0.000 0.884) 1.382 28.510 ( 3.621 0.000 0.480) 3.653 28.537 ( 6.693 0.000 0.531) 6.714 28.816 ( 6.540 0.000 1.799) 6.783 28.865 ( 13.213 0.000 -9.282) 16.147 31.074 ( 2.479 0.000 1.224) 2.765 31.074 ( 1.498 0.000 -0.931) 1.763 31.138 ( 0.458 0.000 -5.169) 5.189 31.420 ( 8.344 0.000 3.244) 8.953 32.418 ( -32.898 -0.000 30.205) 44.661 32.893 ( -26.523 -0.000 -10.818) 28.644 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 14.723 -1.685 8.235) 16.953 2.053 ( 15.335 -7.494 8.283) 18.972 2.133 ( 3.928 -4.270 -14.054) 15.205 2.330 ( 6.546 -4.721 -12.389) 14.786 2.704 ( -15.466 6.438 -0.445) 16.758 3.115 ( -5.382 9.704 -0.399) 11.103 3.192 ( -4.336 2.779 -1.202) 5.288 3.374 ( -3.757 1.218 2.400) 4.622 3.464 ( -4.851 -0.395 2.206) 5.344 3.525 ( -0.692 4.233 7.453) 8.599 3.603 ( -1.685 -0.099 0.282) 1.711 3.696 ( -4.050 -4.413 4.462) 7.469 3.736 ( -0.841 1.817 -0.423) 2.046 3.792 ( -3.589 1.649 4.383) 5.900 3.872 ( -0.172 -1.606 0.156) 1.623 3.915 ( -1.422 -2.182 2.114) 3.354 4.018 ( -2.500 -2.009 2.068) 3.816 4.210 ( 5.566 3.680 5.615) 8.721 4.282 ( 6.546 -2.590 -13.940) 15.617 4.344 ( 11.015 -2.064 1.423) 11.296 4.579 ( -4.596 -0.671 1.994) 5.054 4.676 ( 1.677 -2.267 0.473) 2.859 4.867 ( 4.317 -1.246 0.196) 4.498 4.997 ( 4.251 -1.667 -8.065) 9.268 5.102 ( -1.673 0.505 -3.819) 4.199 5.104 ( 3.812 -2.577 -1.916) 4.985 5.234 ( 4.325 -1.982 1.754) 5.071 5.304 ( -0.763 -0.340 -0.838) 1.184 5.414 ( 2.612 -5.292 3.095) 6.664 5.578 ( 5.037 1.033 -4.165) 6.617 5.676 ( 2.539 -0.247 -2.521) 3.587 5.840 ( -1.941 2.621 2.279) 3.979 6.069 ( -1.107 8.077 4.117) 9.133 6.174 ( -11.380 3.576 -3.389) 12.401 6.283 ( -18.275 2.565 3.932) 18.869 6.531 ( -2.513 0.267 0.783) 2.646 7.757 ( -4.756 0.344 1.066) 4.886 7.901 ( -7.086 -3.633 -4.695) 9.244 8.084 ( -6.066 4.318 1.869) 7.677 8.162 ( -8.953 4.377 -0.865) 10.003 8.200 ( -6.494 4.509 2.080) 8.175 8.377 ( -3.769 4.150 -1.875) 5.911 9.327 ( 3.992 1.530 1.932) 4.692 9.460 ( 5.174 -2.950 -3.934) 7.138 9.533 ( 4.234 -2.276 4.947) 6.897 9.653 ( 5.136 -2.007 -7.411) 9.237 9.979 ( 0.555 -2.039 11.959) 12.144 10.284 ( 3.149 -1.298 -9.857) 10.429 10.376 ( 3.746 0.042 5.660) 6.787 10.555 ( 6.124 -4.670 2.159) 7.998 10.658 ( 8.214 -1.242 -4.619) 9.505 10.772 ( 6.664 -2.477 0.772) 7.151 12.256 ( 6.503 -1.508 0.254) 6.681 12.342 ( 4.820 -4.067 -0.186) 6.309 12.787 ( 3.448 -1.125 1.714) 4.011 12.818 ( 1.647 -2.154 -3.387) 4.338 12.975 ( -6.199 3.982 0.316) 7.375 13.003 ( -5.586 3.339 -0.459) 6.524 13.715 ( 0.441 -1.019 -7.026) 7.114 13.782 ( 0.292 -0.298 0.826) 0.925 14.059 ( -5.872 4.289 3.872) 8.238 14.141 ( -5.220 0.546 1.233) 5.391 15.276 ( -2.669 1.238 -0.467) 2.979 15.350 ( -1.439 1.332 -2.159) 2.917 15.732 ( -2.342 3.300 5.087) 6.501 15.916 ( 1.180 -3.951 -1.017) 4.247 16.574 ( 3.920 -1.552 0.749) 4.282 16.596 ( 3.810 -1.868 -0.779) 4.315 20.391 ( 1.967 1.301 0.335) 2.382 20.477 ( -0.814 -1.846 1.058) 2.278 20.606 ( 4.101 -0.423 0.473) 4.149 20.733 ( 0.648 -0.642 -4.165) 4.263 26.652 ( -2.305 -0.263 2.305) 3.270 26.669 ( -0.268 0.176 0.115) 0.340 26.681 ( -1.516 -0.274 0.650) 1.672 26.810 ( 0.813 3.471 -1.570) 3.895 26.893 ( 0.061 -1.320 -5.168) 5.334 27.182 ( 3.245 0.877 0.403) 3.385 28.422 ( 0.541 -3.772 -1.193) 3.993 28.459 ( -0.150 -5.664 2.271) 6.104 28.507 ( 5.447 2.496 0.249) 5.997 28.682 ( 5.916 -5.444 0.865) 8.086 28.823 ( 5.038 3.624 -0.611) 6.236 28.995 ( 6.183 -3.294 -4.883) 8.540 31.003 ( 0.599 4.400 1.540) 4.700 31.116 ( 0.784 -0.162 -7.167) 7.211 31.215 ( 3.876 -6.576 0.333) 7.640 31.541 ( 9.965 -1.393 3.076) 10.522 32.142 ( -25.162 8.818 26.043) 37.271 32.493 ( -24.943 8.175 -14.929) 30.197 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 12.281 -9.043 -4.648) 15.944 2.265 ( 4.039 -8.834 4.281) 10.615 2.352 ( 3.410 -2.292 0.936) 4.214 2.477 ( 5.703 -7.639 3.031) 10.003 2.503 ( -3.619 0.576 0.699) 3.731 2.899 ( -4.441 8.289 2.082) 9.631 3.086 ( -0.730 5.278 -1.727) 5.601 3.267 ( -2.602 6.462 -4.160) 8.114 3.373 ( -4.877 1.660 -3.987) 6.515 3.450 ( -2.821 3.794 3.398) 5.822 3.566 ( -3.046 0.279 -4.507) 5.447 3.652 ( -3.394 1.355 -2.638) 4.507 3.688 ( -3.640 5.101 5.830) 8.559 3.777 ( -2.254 -0.021 1.308) 2.606 3.903 ( 1.090 -1.711 6.667) 6.969 3.992 ( 0.578 -2.220 1.028) 2.513 4.038 ( -0.329 -1.816 -0.575) 1.933 4.210 ( -1.248 0.658 1.489) 2.051 4.337 ( 4.622 -3.455 -12.985) 14.210 4.493 ( 11.247 0.730 0.450) 11.279 4.655 ( 4.192 -4.550 3.615) 7.165 4.753 ( 1.793 -4.405 7.075) 8.525 4.920 ( 1.456 -1.051 -3.489) 3.924 4.983 ( 1.210 3.692 -6.086) 7.221 5.051 ( 1.786 1.917 -3.523) 4.391 5.158 ( -0.414 0.055 -3.062) 3.090 5.266 ( -5.023 -5.272 1.398) 7.415 5.388 ( 6.509 -2.445 5.157) 8.657 5.497 ( 3.007 0.807 0.169) 3.118 5.557 ( -0.560 2.937 3.518) 4.617 5.722 ( -8.243 0.015 -1.012) 8.305 5.747 ( 0.001 -0.856 0.506) 0.994 5.862 ( -7.243 8.694 0.483) 11.326 5.989 ( -6.279 0.111 -0.980) 6.356 6.191 ( -0.878 0.892 2.580) 2.868 6.570 ( 3.728 -0.281 -1.227) 3.935 7.729 ( 0.522 0.380 -0.446) 0.785 7.898 ( -4.585 -2.856 -2.138) 5.809 7.927 ( -5.646 4.556 2.230) 7.590 8.014 ( -2.924 5.187 -0.235) 5.959 8.088 ( -6.742 0.553 1.564) 6.943 8.259 ( -4.157 3.182 -2.439) 5.775 9.354 ( 3.170 0.195 1.764) 3.633 9.536 ( 3.674 -1.114 -1.357) 4.072 9.631 ( 2.556 -2.315 2.749) 4.411 9.713 ( 4.218 -2.132 -2.892) 5.541 10.064 ( -1.208 -2.566 11.037) 11.396 10.275 ( -0.306 -0.724 -11.657) 11.683 10.451 ( 3.255 -1.125 8.981) 9.618 10.686 ( 4.931 -2.271 -4.789) 7.239 10.737 ( 6.086 -0.921 0.479) 6.173 10.846 ( 2.500 -1.222 -4.316) 5.135 12.382 ( 9.200 -2.837 0.021) 9.627 12.474 ( 6.990 -3.737 0.196) 7.929 12.776 ( -4.109 2.009 -1.240) 4.739 12.813 ( -3.323 2.455 0.694) 4.189 12.855 ( -6.279 0.835 0.521) 6.356 12.886 ( -5.494 1.425 -0.419) 5.692 13.740 ( 2.863 -2.253 -4.031) 5.434 13.781 ( -0.651 0.092 -0.659) 0.931 13.944 ( -3.784 4.135 2.728) 6.234 14.078 ( -4.739 1.179 1.257) 5.043 15.242 ( -0.466 0.663 -0.229) 0.842 15.312 ( 0.506 1.226 -2.774) 3.075 15.671 ( -2.892 2.773 5.626) 6.906 15.990 ( 1.163 -3.310 -1.673) 3.887 16.641 ( 2.676 -1.464 0.488) 3.089 16.666 ( 2.744 -2.028 -0.266) 3.422 20.378 ( 1.255 2.062 1.052) 2.633 20.499 ( -1.263 -1.339 0.851) 2.027 20.661 ( 3.004 -1.620 -1.049) 3.571 20.727 ( -0.223 0.175 -1.400) 1.428 26.652 ( -2.172 -0.989 3.571) 4.295 26.665 ( -0.081 -0.011 0.048) 0.094 26.678 ( -0.795 -0.315 0.074) 0.859 26.756 ( 0.467 3.125 1.688) 3.582 26.888 ( 0.468 -0.451 -5.890) 5.926 27.199 ( 2.254 0.139 -0.846) 2.412 28.461 ( 1.482 -0.400 1.792) 2.359 28.528 ( 6.224 2.033 -1.736) 6.773 28.617 ( -0.334 -9.531 1.622) 9.674 28.780 ( 5.849 5.633 -1.332) 8.229 28.850 ( 1.521 -5.808 3.801) 7.106 29.052 ( -0.608 -3.308 -4.894) 5.939 30.957 ( 0.143 2.533 5.086) 5.683 31.091 ( -0.016 0.062 -7.774) 7.774 31.374 ( 6.372 -4.583 0.310) 7.855 31.679 ( 6.895 -2.018 0.122) 7.185 31.850 ( -17.432 9.821 20.037) 28.316 32.059 ( -16.294 6.991 -14.894) 23.157 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -2.439 6.810 3.865) 8.201 2.401 ( -0.346 -2.684 3.211) 4.199 2.522 ( 4.358 -4.368 -6.348) 8.853 2.588 ( 0.040 -11.915 3.886) 12.533 2.691 ( 4.303 -10.642 5.704) 12.818 2.782 ( -2.089 2.432 4.234) 5.311 2.955 ( 1.629 8.687 -2.818) 9.277 3.099 ( 2.135 7.708 -9.356) 12.309 3.317 ( -4.583 -3.040 -3.979) 6.789 3.425 ( 0.600 -1.454 3.308) 3.663 3.480 ( 0.272 3.485 -8.726) 9.400 3.598 ( -5.828 -0.155 2.681) 6.417 3.608 ( 2.689 5.238 0.889) 5.955 3.760 ( -1.311 -1.644 1.667) 2.683 3.932 ( -3.757 0.226 2.675) 4.617 3.982 ( -3.908 1.376 -1.510) 4.410 4.095 ( 8.803 0.667 1.761) 9.002 4.189 ( -3.723 -2.361 -2.682) 5.161 4.396 ( 2.820 -3.320 -4.684) 6.397 4.534 ( 5.178 12.778 2.850) 14.078 4.679 ( 1.656 -2.457 2.733) 4.031 4.813 ( 3.513 3.359 -6.896) 8.436 4.950 ( 4.063 -1.509 -0.383) 4.351 5.005 ( 0.994 -3.272 3.704) 5.041 5.045 ( 3.429 -2.405 -2.366) 4.811 5.140 ( 0.336 -1.364 -6.316) 6.471 5.344 ( -4.995 -1.520 10.527) 11.751 5.372 ( -3.926 4.299 -3.674) 6.885 5.468 ( -2.351 3.021 -4.132) 5.633 5.542 ( -4.944 -3.624 3.776) 7.200 5.602 ( -0.320 2.090 2.068) 2.957 5.731 ( 0.925 -0.875 1.789) 2.196 5.866 ( 0.881 -2.851 -0.426) 3.014 5.940 ( -4.603 -0.056 1.164) 4.748 6.197 ( 0.400 0.604 4.816) 4.870 6.579 ( 2.382 2.355 -0.081) 3.351 7.754 ( 4.965 -0.412 -1.820) 5.304 7.829 ( -1.709 0.264 2.549) 3.080 7.928 ( -4.166 -3.012 -1.716) 5.420 7.949 ( 0.494 -0.080 2.363) 2.415 8.064 ( -6.066 -5.185 -0.998) 8.042 8.181 ( -1.960 0.343 -2.757) 3.400 9.392 ( 2.196 -0.141 1.929) 2.927 9.552 ( 0.592 1.270 -0.720) 1.576 9.674 ( 2.043 -0.607 -4.028) 4.557 9.784 ( 3.238 -0.250 5.188) 6.121 10.116 ( -4.625 -1.418 4.948) 6.919 10.214 ( -1.514 0.949 -6.867) 7.096 10.543 ( 3.039 -0.601 10.401) 10.853 10.673 ( 2.366 2.809 -9.234) 9.938 10.795 ( 3.280 3.659 -1.298) 5.082 10.844 ( 0.574 -0.548 -1.873) 2.034 12.480 ( 8.895 5.788 0.367) 10.619 12.539 ( 4.529 6.532 -0.035) 7.948 12.701 ( -4.620 -2.920 -0.366) 5.478 12.758 ( 0.497 -3.122 0.070) 3.162 12.818 ( -5.194 -2.593 0.280) 5.812 12.866 ( -6.595 -5.423 -0.307) 8.543 13.756 ( -0.006 1.147 -0.167) 1.159 13.820 ( 1.928 -3.918 -1.970) 4.791 13.874 ( -0.314 1.782 0.336) 1.841 14.029 ( -3.941 -0.614 0.957) 4.101 15.238 ( 0.324 -0.312 -0.243) 0.511 15.295 ( 1.480 0.541 -3.385) 3.734 15.627 ( -2.913 1.777 7.619) 8.348 16.034 ( 0.740 -1.450 -2.540) 3.017 16.669 ( 0.827 0.826 0.437) 1.248 16.704 ( 0.912 -0.048 -0.225) 0.940 20.365 ( 0.610 1.096 1.731) 2.137 20.504 ( -0.341 0.061 0.428) 0.551 20.678 ( 0.002 1.197 -2.566) 2.831 20.743 ( 1.039 -2.358 -0.272) 2.591 26.662 ( -2.977 -1.511 1.548) 3.680 26.667 ( -0.860 -0.483 -0.240) 1.015 26.672 ( -0.744 -0.097 -0.218) 0.782 26.739 ( 2.072 1.823 5.817) 6.439 26.880 ( 1.846 -0.357 -5.452) 5.767 27.215 ( 0.992 -0.987 -3.734) 3.988 28.488 ( 2.072 0.515 1.762) 2.768 28.530 ( 5.066 3.361 -2.317) 6.506 28.707 ( 1.261 4.965 -0.086) 5.124 28.759 ( -2.358 -5.011 2.599) 6.117 28.886 ( 0.821 4.769 4.964) 6.933 29.151 ( 0.033 -11.230 -8.566) 14.125 30.973 ( 0.168 -0.795 10.938) 10.968 31.053 ( -1.165 0.178 -5.755) 5.874 31.464 ( 1.995 1.439 -2.750) 3.690 31.578 ( -2.641 9.093 -6.040) 11.231 31.615 ( -9.295 7.848 13.236) 17.977 32.039 ( 1.886 -14.039 -5.028) 15.031 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.328 16.430 8.832) 18.701 2.321 ( 0.215 18.836 -3.549) 19.169 2.501 ( -1.898 -1.936 -6.701) 7.228 2.674 ( -3.020 -4.069 -1.827) 5.387 2.684 ( -4.092 1.033 -3.945) 5.777 2.891 ( -2.357 -3.114 -3.941) 5.548 3.027 ( 5.695 -7.709 -3.420) 10.176 3.124 ( 4.106 -12.048 0.629) 12.744 3.318 ( -6.386 -2.631 0.962) 6.973 3.425 ( 1.456 -1.062 -7.115) 7.339 3.489 ( 1.735 0.176 3.073) 3.533 3.576 ( 5.082 -1.397 -1.558) 5.496 3.608 ( 1.966 -0.363 9.039) 9.257 3.823 ( -2.116 -5.410 -4.640) 7.435 3.868 ( -0.204 4.246 2.288) 4.827 3.890 ( -5.686 2.739 3.248) 7.098 4.112 ( 1.512 7.044 4.435) 8.460 4.169 ( 1.248 7.514 4.228) 8.711 4.318 ( 1.293 3.267 -0.651) 3.573 4.502 ( 3.778 -4.233 1.079) 5.776 4.775 ( 2.237 0.222 -8.357) 8.654 4.815 ( 7.120 -2.414 0.423) 7.530 4.947 ( 4.144 3.640 -7.583) 9.377 5.037 ( -4.407 0.790 2.938) 5.355 5.108 ( 3.819 -0.797 5.232) 6.527 5.184 ( -5.484 0.977 -4.016) 6.867 5.227 ( 2.948 -0.685 -5.288) 6.093 5.345 ( -4.893 -3.067 -4.530) 7.340 5.406 ( -2.695 2.405 4.230) 5.563 5.481 ( -5.076 -1.362 -3.062) 6.082 5.677 ( 1.025 -2.368 5.675) 6.234 5.793 ( 0.002 -1.181 4.353) 4.510 5.883 ( -2.438 -0.340 -0.070) 2.463 5.944 ( 0.449 -4.660 4.149) 6.255 6.203 ( -0.610 0.356 4.865) 4.916 6.542 ( 0.273 3.794 1.896) 4.250 7.820 ( 2.350 -3.471 -2.442) 4.851 7.878 ( 1.205 -3.996 -1.250) 4.357 7.965 ( -5.390 -5.116 3.089) 8.048 7.988 ( -2.876 -6.759 0.907) 7.402 8.155 ( 5.020 -6.616 -1.625) 8.462 8.196 ( -0.263 -4.087 -2.028) 4.570 9.405 ( 0.942 1.544 0.457) 1.866 9.502 ( -2.516 2.802 0.464) 3.794 9.673 ( 2.775 0.965 -7.104) 7.688 9.815 ( 1.944 2.557 7.860) 8.491 10.000 ( -6.574 4.694 -10.219) 13.026 10.217 ( -0.551 -0.144 8.459) 8.478 10.554 ( 1.947 4.715 -3.780) 6.349 10.626 ( 2.604 4.849 0.745) 5.555 10.693 ( -0.522 4.477 -1.611) 4.787 10.833 ( 1.545 4.429 1.522) 4.931 12.361 ( -1.390 8.689 0.741) 8.831 12.416 ( 1.121 8.297 -0.458) 8.385 12.747 ( 0.031 -0.701 1.571) 1.721 12.861 ( 0.387 -5.880 -0.062) 5.893 12.881 ( 4.251 -5.046 -0.773) 6.643 12.935 ( -4.017 -8.624 -1.636) 9.653 13.733 ( -0.871 0.604 -1.073) 1.508 13.858 ( 0.159 -0.806 2.845) 2.961 13.912 ( 2.081 -3.439 -3.503) 5.332 14.042 ( -2.277 -4.228 0.787) 4.867 15.255 ( 0.160 -1.548 -0.559) 1.654 15.296 ( 1.659 -0.555 -3.750) 4.138 15.615 ( -2.297 0.498 9.528) 9.813 16.034 ( 0.332 0.721 -2.904) 3.011 16.635 ( -0.080 3.352 0.561) 3.400 16.683 ( -0.122 2.537 -0.558) 2.600 20.355 ( -2.228 0.264 1.447) 2.670 20.511 ( 3.425 0.814 1.369) 3.777 20.629 ( -0.156 2.850 -1.642) 3.293 20.793 ( -0.619 -3.342 -3.711) 5.032 26.650 ( -5.672 -2.413 0.435) 6.179 26.668 ( 0.328 0.096 -0.072) 0.349 26.670 ( -0.091 -0.092 0.026) 0.132 26.756 ( 0.376 0.585 3.534) 3.602 26.912 ( 6.037 -0.482 -1.606) 6.266 27.222 ( -0.005 -1.883 -7.864) 8.087 28.464 ( -4.535 1.681 -1.386) 5.031 28.509 ( 7.335 4.400 -1.940) 8.771 28.647 ( -0.363 4.428 4.849) 6.576 28.703 ( -2.387 5.596 2.029) 6.413 28.874 ( -0.169 0.383 2.769) 2.801 29.282 ( 2.345 -5.593 -13.927) 15.191 30.995 ( -2.203 -0.235 -5.205) 5.657 31.114 ( -0.430 -5.572 19.264) 20.058 31.306 ( -5.210 4.341 -6.945) 9.707 31.455 ( -5.767 3.569 11.619) 13.453 31.541 ( 9.838 7.770 2.922) 12.872 32.351 ( 0.269 -21.369 -6.553) 22.353 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 4.611 20.689 13.760) 25.271 1.886 ( 5.769 28.234 1.381) 28.850 2.465 ( 1.413 1.353 -14.127) 14.262 2.566 ( -4.460 1.072 -15.781) 16.434 2.767 ( 3.738 1.461 9.763) 10.555 2.925 ( -7.047 -9.852 -4.464) 12.909 3.221 ( -1.665 -11.999 -3.189) 12.526 3.280 ( -2.941 0.160 4.953) 5.763 3.306 ( 0.841 -7.303 -4.149) 8.442 3.478 ( 0.685 0.675 3.294) 3.431 3.507 ( 3.375 -2.669 -0.078) 4.304 3.671 ( 1.003 0.914 8.252) 8.363 3.699 ( 1.889 -3.679 -1.717) 4.478 3.762 ( 1.394 1.343 -1.279) 2.320 3.844 ( -2.353 -2.989 4.760) 6.093 3.896 ( -1.824 1.558 0.585) 2.469 4.002 ( 0.168 -1.011 2.029) 2.274 4.111 ( -4.053 1.367 6.205) 7.537 4.335 ( 5.486 1.944 -5.139) 7.764 4.594 ( 2.538 -0.926 -3.959) 4.793 4.767 ( 0.783 -0.430 -6.062) 6.127 4.866 ( 5.650 2.244 -1.590) 6.284 4.899 ( 2.137 1.679 -7.430) 7.911 4.964 ( -3.238 1.757 -0.670) 3.744 5.055 ( -3.079 3.337 -2.471) 5.170 5.176 ( 1.002 3.344 -0.231) 3.498 5.213 ( 3.792 0.596 -4.411) 5.847 5.300 ( -4.308 3.743 -0.797) 5.762 5.374 ( -0.290 -1.930 -1.225) 2.304 5.557 ( 3.373 -5.663 -2.554) 7.069 5.682 ( -3.851 4.571 4.588) 7.535 5.745 ( -2.536 1.787 2.934) 4.270 5.978 ( 3.735 -6.478 6.424) 9.858 6.075 ( -3.711 -6.150 11.140) 13.255 6.282 ( -0.177 -10.500 1.842) 10.662 6.482 ( -3.816 0.363 3.730) 5.349 7.873 ( -5.192 -5.457 -4.287) 8.667 7.964 ( 1.002 -5.207 -1.860) 5.619 8.004 ( -6.952 -6.666 3.193) 10.147 8.153 ( -0.484 -10.835 1.918) 11.014 8.270 ( -1.465 -5.804 -1.492) 6.169 8.358 ( 7.913 -7.527 -0.776) 10.949 9.335 ( -1.995 5.046 -2.809) 6.110 9.441 ( -1.403 2.382 2.955) 4.047 9.629 ( 1.896 3.146 -10.679) 11.293 9.801 ( -2.043 7.115 -8.628) 11.368 9.814 ( 2.214 3.521 9.829) 10.673 10.236 ( -0.601 1.781 9.069) 9.262 10.448 ( 4.652 8.578 -7.790) 12.487 10.501 ( 0.495 6.077 0.143) 6.099 10.657 ( 0.265 3.747 1.968) 4.240 10.736 ( 2.822 8.888 1.987) 9.535 12.210 ( -1.789 6.418 0.525) 6.683 12.300 ( 1.406 5.934 -0.046) 6.099 12.717 ( 2.188 5.955 3.020) 7.026 12.976 ( -3.501 -5.894 -2.058) 7.158 12.992 ( -0.432 -6.380 0.008) 6.395 13.031 ( 4.431 -3.252 -5.087) 7.489 13.716 ( -0.202 -0.180 -1.245) 1.274 13.894 ( 0.776 -1.573 -2.300) 2.893 13.972 ( -1.784 -4.244 2.035) 5.033 14.122 ( -1.270 -5.795 0.878) 5.997 15.292 ( -0.918 -3.343 -0.707) 3.538 15.322 ( 1.256 -2.449 -3.087) 4.135 15.638 ( -1.856 -0.852 10.082) 10.287 15.997 ( 0.453 2.480 -2.526) 3.569 16.570 ( 0.439 4.013 0.576) 4.078 16.621 ( 0.407 3.962 -0.990) 4.104 20.325 ( -2.943 0.200 1.128) 3.158 20.542 ( 3.743 1.933 0.080) 4.213 20.576 ( 1.496 2.644 1.343) 3.322 20.804 ( -1.735 -1.955 -8.455) 8.850 26.645 ( -4.752 -2.899 0.814) 5.626 26.669 ( 0.013 -0.137 0.047) 0.145 26.672 ( -0.019 -0.078 -0.163) 0.182 26.759 ( -0.378 -0.308 0.969) 1.085 26.985 ( 7.095 0.458 1.142) 7.201 27.210 ( -0.961 -1.444 -12.209) 12.331 28.373 ( -3.959 1.863 -1.489) 4.622 28.496 ( 5.536 4.051 -2.500) 7.301 28.518 ( -5.970 4.249 2.531) 7.752 28.673 ( 5.543 4.665 4.991) 8.797 28.833 ( -0.670 4.585 1.604) 4.903 29.246 ( 3.243 5.525 -18.748) 19.812 30.959 ( -2.386 -0.666 -3.182) 4.033 31.153 ( -0.979 1.758 -3.645) 4.163 31.252 ( -3.177 1.453 4.881) 6.003 31.486 ( 8.072 8.342 2.857) 11.954 31.617 ( -3.329 -16.934 34.642) 38.703 32.703 ( -4.812 -23.697 -7.708) 25.379 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 5.914 0.000 -15.970) 17.030 2.152 ( 15.953 0.000 -1.398) 16.014 2.189 ( 13.857 0.000 9.468) 16.783 2.338 ( 9.464 0.000 2.222) 9.722 2.619 ( -14.359 -0.000 -0.957) 14.391 3.102 ( -7.408 -0.000 -10.529) 12.874 3.166 ( -4.766 -0.000 0.608) 4.804 3.324 ( -6.851 -0.000 -3.664) 7.769 3.451 ( -7.064 -0.000 5.592) 9.009 3.529 ( -6.906 -0.000 2.407) 7.313 3.579 ( -2.770 -0.000 5.805) 6.432 3.633 ( -0.157 -0.000 2.433) 2.438 3.743 ( -0.319 -0.000 -0.338) 0.465 3.758 ( -4.672 -0.000 4.399) 6.417 3.869 ( -0.915 -0.000 -2.777) 2.924 3.907 ( 3.661 0.000 3.899) 5.348 3.978 ( -3.438 -0.000 1.435) 3.725 4.215 ( 1.151 0.000 -12.445) 12.498 4.386 ( 6.593 0.000 1.804) 6.836 4.496 ( 12.526 0.000 15.096) 19.616 4.570 ( 3.466 0.000 9.595) 10.202 4.689 ( 3.800 0.000 1.107) 3.957 4.915 ( 5.862 0.000 2.102) 6.228 4.988 ( 1.739 0.000 -7.450) 7.651 5.029 ( -10.913 -0.000 -4.139) 11.672 5.113 ( 2.273 0.000 0.893) 2.442 5.212 ( 2.875 0.000 -6.603) 7.202 5.348 ( -0.338 -0.000 2.545) 2.568 5.392 ( 9.281 0.000 1.096) 9.345 5.597 ( 3.619 0.000 -4.973) 6.150 5.684 ( 0.599 0.000 -6.832) 6.858 5.873 ( -4.772 -0.000 1.688) 5.062 6.019 ( -10.673 -0.000 -6.096) 12.291 6.122 ( -18.710 -0.000 10.567) 21.488 6.238 ( 3.679 0.000 1.472) 3.962 6.480 ( -0.074 -0.000 -4.846) 4.846 7.709 ( -4.616 -0.000 1.136) 4.754 7.778 ( -5.256 -0.000 -3.567) 6.352 8.098 ( -2.225 -0.000 2.182) 3.117 8.129 ( -7.019 -0.000 -0.694) 7.053 8.146 ( -8.066 -0.000 1.916) 8.290 8.404 ( -0.922 -0.000 -1.990) 2.193 9.410 ( 3.392 0.000 5.078) 6.107 9.440 ( 3.449 0.000 -5.140) 6.190 9.586 ( 4.435 0.000 7.375) 8.605 9.651 ( 4.032 0.000 -7.786) 8.768 10.015 ( 0.279 0.000 12.037) 12.040 10.265 ( 2.978 0.000 -10.913) 11.312 10.447 ( 4.307 0.000 4.779) 6.434 10.566 ( 3.565 0.000 2.737) 4.495 10.686 ( 6.133 0.000 -6.847) 9.193 10.824 ( 4.825 0.000 0.513) 4.852 12.287 ( 3.265 0.000 0.649) 3.329 12.346 ( 5.145 0.000 -1.069) 5.254 12.777 ( -1.682 -0.000 -3.311) 3.714 12.799 ( -3.517 -0.000 2.740) 4.458 12.994 ( -0.911 -0.000 1.854) 2.066 12.996 ( -1.389 -0.000 -1.516) 2.056 13.683 ( 1.609 0.000 -6.070) 6.279 13.793 ( 0.829 0.000 0.680) 1.072 14.055 ( -7.220 -0.000 4.479) 8.497 14.094 ( -3.448 -0.000 -0.181) 3.453 15.263 ( -1.527 -0.000 -0.292) 1.555 15.342 ( -0.453 -0.000 -2.017) 2.067 15.770 ( -2.792 -0.000 4.823) 5.572 15.872 ( 1.371 0.000 -1.991) 2.417 16.602 ( 3.377 0.000 0.853) 3.483 16.613 ( 3.415 0.000 -0.669) 3.480 20.426 ( 1.764 0.000 0.867) 1.965 20.456 ( -0.986 -0.000 1.805) 2.057 20.644 ( 2.973 0.000 0.490) 3.013 20.717 ( 0.743 0.000 -3.516) 3.594 26.617 ( -3.915 -0.000 1.723) 4.277 26.671 ( 0.039 0.000 -0.034) 0.052 26.672 ( -0.095 -0.000 -0.016) 0.096 26.855 ( 2.317 0.000 -7.044) 7.416 26.873 ( 0.361 0.000 3.329) 3.349 27.230 ( 2.912 0.000 1.923) 3.489 28.371 ( 0.507 0.000 -0.293) 0.586 28.404 ( -1.247 -0.000 0.720) 1.440 28.591 ( 2.966 0.000 1.375) 3.269 28.687 ( 6.461 0.000 1.434) 6.618 28.911 ( 1.393 0.000 1.161) 1.813 29.027 ( 8.911 0.000 -3.760) 9.672 31.080 ( 1.295 0.000 -7.786) 7.893 31.118 ( 1.102 0.000 -1.496) 1.858 31.128 ( 1.487 0.000 1.101) 1.850 31.680 ( 14.612 0.000 3.961) 15.139 32.056 ( -24.151 -0.000 21.908) 32.607 32.239 ( -24.636 -0.000 -17.234) 30.066 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 12.557 -5.511 -3.774) 14.222 2.258 ( 11.743 -0.577 -5.197) 12.854 2.350 ( 0.456 0.149 4.702) 4.726 2.477 ( -1.517 -0.135 0.170) 1.533 2.486 ( 2.928 -2.851 13.291) 13.905 2.989 ( -4.214 2.838 -5.312) 7.350 3.093 ( -1.827 1.685 -2.022) 3.204 3.259 ( -6.049 -1.636 -5.936) 8.632 3.332 ( -6.398 3.289 0.105) 7.195 3.448 ( -5.904 1.357 -1.481) 6.237 3.560 ( -0.314 2.570 0.592) 2.655 3.630 ( -3.098 1.999 -1.764) 4.087 3.728 ( -0.802 0.513 0.733) 1.201 3.753 ( -3.689 -2.110 3.327) 5.397 3.901 ( -0.484 -0.624 2.150) 2.291 3.957 ( 1.678 -2.724 3.841) 4.999 3.980 ( 0.692 -1.427 2.447) 2.916 4.192 ( -1.469 -2.172 -8.382) 8.782 4.387 ( 6.400 5.723 -1.248) 8.676 4.575 ( -1.154 -1.907 8.470) 8.758 4.719 ( -3.596 -2.276 4.369) 6.099 4.764 ( 11.458 0.155 1.845) 11.607 4.900 ( 2.081 -0.508 4.182) 4.698 5.001 ( 0.860 -1.118 -6.438) 6.591 5.016 ( 2.992 -2.260 1.599) 4.076 5.150 ( -1.489 -1.470 -1.664) 2.674 5.192 ( 3.481 1.152 -1.925) 4.141 5.395 ( -0.312 -3.020 2.012) 3.642 5.516 ( 7.719 -1.413 1.754) 8.041 5.600 ( -3.603 2.367 -4.594) 6.300 5.636 ( -0.010 -2.310 -3.748) 4.403 5.744 ( -7.167 3.723 -1.368) 8.191 5.921 ( -7.650 5.531 2.951) 9.891 5.977 ( -3.157 1.779 1.047) 3.772 6.219 ( 1.283 2.530 0.607) 2.901 6.533 ( 0.849 -4.951 -5.003) 7.090 7.695 ( -1.879 -2.029 0.392) 2.793 7.768 ( -1.695 -4.036 -3.312) 5.490 7.988 ( -4.645 6.018 2.604) 8.036 8.067 ( -0.539 3.518 1.560) 3.886 8.095 ( -4.041 1.564 1.094) 4.469 8.319 ( -0.551 6.873 -2.355) 7.286 9.404 ( 1.993 1.768 1.382) 3.001 9.515 ( 1.036 -3.306 0.649) 3.525 9.645 ( 2.996 -0.083 -2.243) 3.743 9.702 ( 3.043 -3.250 4.306) 6.194 10.067 ( -1.241 -0.649 10.743) 10.834 10.236 ( 0.998 0.800 -10.543) 10.621 10.505 ( 3.030 -0.416 6.690) 7.356 10.642 ( 0.994 -4.029 0.140) 4.152 10.740 ( 4.101 -2.910 -7.244) 8.819 10.850 ( 1.602 0.074 -2.625) 3.076 12.367 ( 3.318 -5.341 0.225) 6.292 12.431 ( 3.559 -5.051 -0.964) 6.254 12.742 ( -3.029 0.469 -0.538) 3.112 12.763 ( -4.514 -0.154 0.474) 4.542 12.926 ( -0.478 6.366 0.514) 6.405 12.949 ( -0.536 5.203 0.102) 5.232 13.707 ( 3.515 -1.887 -3.891) 5.573 13.795 ( 0.669 0.525 -1.073) 1.369 13.972 ( -5.510 2.783 3.373) 7.035 14.060 ( -2.729 1.013 0.644) 2.981 15.248 ( -0.215 0.503 0.018) 0.548 15.329 ( 1.098 0.860 -2.183) 2.590 15.717 ( -2.981 3.156 4.279) 6.096 15.925 ( 0.840 -3.938 -1.772) 4.399 16.642 ( 1.659 -1.164 0.538) 2.096 16.656 ( 2.067 -1.618 -0.260) 2.638 20.428 ( 0.789 1.655 1.170) 2.175 20.468 ( -0.909 -1.344 1.975) 2.556 20.668 ( 1.366 -0.253 -0.437) 1.456 20.720 ( 1.269 -0.380 -1.887) 2.306 26.598 ( -3.167 -1.149 1.163) 3.564 26.667 ( -0.011 0.224 0.063) 0.233 26.675 ( 0.075 -0.117 -0.101) 0.172 26.840 ( 2.734 1.624 -2.079) 3.800 26.879 ( 0.431 1.431 1.285) 1.972 27.246 ( 2.406 1.954 1.549) 3.464 28.424 ( 0.025 -3.423 0.298) 3.436 28.455 ( -0.680 -7.623 0.525) 7.671 28.621 ( 3.633 0.318 0.904) 3.757 28.765 ( 0.856 -2.050 2.561) 3.391 28.903 ( 1.669 0.981 -0.571) 2.018 29.078 ( 6.192 3.128 0.156) 6.939 31.025 ( 0.410 3.085 -1.359) 3.396 31.068 ( 0.843 1.147 -6.791) 6.939 31.268 ( 1.074 -8.672 -0.954) 8.790 31.823 ( 9.243 3.565 -1.270) 9.988 31.864 ( -19.484 4.789 17.133) 26.384 31.919 ( -11.174 2.390 -12.380) 16.847 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -5.869 -2.759 -0.760) 6.529 2.396 ( 7.021 -3.032 3.631) 8.466 2.476 ( 4.010 -1.531 4.091) 5.929 2.498 ( -1.475 -2.607 5.307) 6.094 2.586 ( 2.903 -6.822 9.011) 11.669 2.874 ( -1.565 6.187 4.127) 7.600 3.068 ( 1.759 2.355 -8.697) 9.181 3.174 ( -2.280 3.235 -4.671) 6.122 3.225 ( -5.339 1.258 -4.928) 7.374 3.409 ( 1.123 0.052 -3.524) 3.699 3.483 ( -1.036 2.545 -5.572) 6.213 3.550 ( -1.976 0.742 -1.721) 2.724 3.719 ( 1.721 2.196 2.639) 3.840 3.772 ( -0.711 -1.371 2.611) 3.034 3.881 ( -3.680 -1.327 -0.135) 3.915 3.943 ( -3.615 3.041 -2.731) 5.457 4.092 ( 3.425 -4.571 4.088) 7.024 4.208 ( 0.071 -1.180 1.916) 2.251 4.365 ( 5.970 0.840 -5.858) 8.406 4.614 ( -5.696 -5.857 -2.248) 8.474 4.753 ( -2.765 -6.233 3.552) 7.689 4.832 ( 8.403 4.615 1.778) 9.751 4.978 ( 2.815 1.143 -7.556) 8.143 5.003 ( 3.866 1.606 8.286) 9.283 5.077 ( 1.873 0.842 1.497) 2.541 5.123 ( 4.280 1.619 0.540) 4.608 5.277 ( -0.512 -4.110 0.914) 4.241 5.349 ( -5.326 2.675 -1.462) 6.137 5.499 ( -3.342 1.257 -0.041) 3.571 5.528 ( -6.543 6.818 -0.843) 9.487 5.638 ( 4.983 -1.123 0.899) 5.186 5.714 ( 0.375 -2.794 -0.344) 2.840 5.816 ( -3.150 1.042 1.156) 3.513 5.949 ( 1.718 0.998 -1.101) 2.271 6.215 ( -0.534 -0.406 3.970) 4.026 6.580 ( -1.053 -2.424 -3.831) 4.654 7.734 ( -0.519 -3.144 -0.770) 3.278 7.843 ( 3.184 -3.779 -3.480) 6.044 7.878 ( -0.375 3.522 3.323) 4.856 8.000 ( -3.054 5.475 1.595) 6.469 8.013 ( 1.546 2.704 1.644) 3.522 8.196 ( 0.531 4.111 -3.496) 5.423 9.416 ( 1.212 -0.117 2.510) 2.790 9.551 ( -2.033 -0.681 1.239) 2.477 9.659 ( 1.835 -0.991 -6.301) 6.637 9.813 ( 1.524 -2.667 9.793) 10.264 10.071 ( -4.302 0.712 0.711) 4.418 10.196 ( -0.365 0.111 -1.152) 1.214 10.587 ( 2.227 -2.269 8.549) 9.121 10.664 ( -1.975 -0.067 -6.541) 6.833 10.804 ( 0.875 -3.480 -5.212) 6.328 10.849 ( 1.502 0.127 -2.932) 3.297 12.524 ( -0.503 -8.888 0.082) 8.902 12.577 ( -0.501 -8.849 -1.019) 8.922 12.682 ( 0.775 5.042 0.628) 5.140 12.714 ( -0.139 4.199 -0.203) 4.206 12.804 ( -0.220 4.715 0.646) 4.764 12.840 ( 0.570 4.677 -0.171) 4.715 13.757 ( 0.750 -0.304 -2.252) 2.393 13.805 ( 4.521 -1.525 -2.513) 5.393 13.892 ( -3.707 2.090 2.888) 5.143 14.012 ( -1.686 1.901 0.594) 2.609 15.242 ( 0.263 0.380 0.120) 0.477 15.317 ( 2.091 1.225 -2.729) 3.650 15.659 ( -3.192 2.012 6.225) 7.279 15.987 ( 0.456 -3.141 -2.670) 4.148 16.672 ( -0.377 -0.988 0.428) 1.141 16.697 ( 0.363 -1.376 -0.188) 1.436 20.400 ( -0.442 2.133 1.533) 2.664 20.497 ( 0.356 -1.402 1.475) 2.066 20.671 ( -0.740 -0.209 -1.941) 2.088 20.739 ( 2.121 -0.110 -0.321) 2.148 26.592 ( -3.133 -1.061 0.523) 3.349 26.665 ( -0.006 0.016 0.120) 0.121 26.676 ( 0.080 0.101 -0.147) 0.195 26.835 ( 0.860 3.848 7.293) 8.291 26.869 ( 3.517 -1.422 -5.939) 7.047 27.230 ( 1.567 2.238 -0.809) 2.849 28.473 ( -1.146 -1.549 1.205) 2.273 28.604 ( -0.901 -8.635 -0.593) 8.702 28.651 ( 4.937 1.455 -0.349) 5.158 28.759 ( -4.850 1.347 5.705) 7.608 28.938 ( -4.541 -4.011 -5.386) 8.106 29.076 ( 11.526 4.151 4.140) 12.931 30.988 ( -0.199 0.502 -4.966) 4.995 31.038 ( -0.223 0.518 1.877) 1.960 31.386 ( -4.145 -4.161 -6.444) 8.718 31.629 ( -8.393 2.079 -3.407) 9.294 31.673 ( -10.519 2.740 5.716) 12.281 31.986 ( 14.638 2.761 1.482) 14.970 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -3.385 -8.543 -0.566) 9.207 2.344 ( -3.821 7.394 7.926) 11.493 2.472 ( -3.095 1.928 -2.184) 4.250 2.598 ( 3.284 -1.352 5.044) 6.169 2.750 ( -3.770 2.448 0.642) 4.541 2.809 ( -2.990 -0.201 0.056) 2.997 2.975 ( 3.261 -0.496 -1.809) 3.762 3.084 ( 3.614 4.581 -6.212) 8.523 3.229 ( 1.194 -5.278 1.563) 5.632 3.353 ( -5.403 -1.517 -7.519) 9.382 3.442 ( 1.511 -0.076 -4.860) 5.090 3.605 ( 3.696 -2.280 1.930) 4.752 3.710 ( 5.249 2.966 3.784) 7.118 3.769 ( -0.518 2.680 -4.715) 5.448 3.864 ( -2.567 -2.191 0.355) 3.393 3.891 ( -1.861 -0.582 2.065) 2.841 4.166 ( -1.172 0.491 4.848) 5.012 4.253 ( 4.580 -1.352 0.682) 4.824 4.423 ( 0.599 -3.576 -1.232) 3.830 4.680 ( -1.001 -5.061 -6.701) 8.457 4.722 ( 6.194 15.874 2.723) 17.256 4.852 ( 4.744 -2.062 1.464) 5.376 4.995 ( -2.783 0.862 -4.410) 5.286 5.009 ( 2.233 -1.649 1.082) 2.979 5.059 ( -0.282 -0.607 -1.603) 1.737 5.135 ( -4.059 -0.837 3.212) 5.244 5.191 ( 0.609 0.936 -4.072) 4.223 5.347 ( -5.025 3.142 -2.516) 6.439 5.378 ( 1.465 2.934 -0.758) 3.366 5.475 ( -0.262 1.151 6.513) 6.619 5.703 ( 1.400 -1.623 4.356) 4.855 5.763 ( -4.529 0.014 2.638) 5.241 5.793 ( 1.039 -5.646 -4.679) 7.406 5.955 ( 2.860 1.424 -0.180) 3.200 6.233 ( -2.053 0.241 7.917) 8.182 6.568 ( -3.024 0.077 -1.614) 3.429 7.749 ( -2.424 -0.625 -2.631) 3.632 7.869 ( -1.989 -1.060 4.018) 4.606 7.896 ( -0.739 0.375 1.476) 1.693 7.919 ( 5.436 0.561 -1.810) 5.757 8.091 ( 5.070 -5.892 -0.483) 7.788 8.169 ( 4.275 -0.298 -3.194) 5.345 9.436 ( 0.199 0.547 2.108) 2.187 9.515 ( -3.921 1.625 2.966) 5.178 9.664 ( 1.156 -0.909 -8.242) 8.372 9.886 ( 0.116 -0.050 10.218) 10.218 9.968 ( -4.957 2.878 -7.888) 9.750 10.222 ( -0.946 -1.534 7.791) 7.997 10.595 ( -1.440 1.621 -7.423) 7.733 10.681 ( 1.592 -1.768 7.617) 7.980 10.762 ( -0.201 4.005 -9.002) 9.855 10.878 ( 0.110 -0.962 0.678) 1.182 12.458 ( -8.316 5.863 -0.099) 10.175 12.554 ( -5.624 5.858 0.308) 8.127 12.723 ( 1.384 -1.752 0.148) 2.237 12.740 ( 3.453 -4.765 -0.389) 5.897 12.823 ( 5.752 -3.817 0.350) 6.912 12.865 ( 5.924 -3.280 -0.347) 6.781 13.736 ( -0.186 1.033 -1.876) 2.150 13.847 ( -2.509 -0.053 3.625) 4.409 13.892 ( 4.704 -1.955 -4.028) 6.494 13.982 ( -0.562 -0.296 1.057) 1.233 15.241 ( 0.110 -0.077 -0.185) 0.229 15.307 ( 2.275 1.043 -3.412) 4.232 15.635 ( -3.141 0.536 8.330) 8.919 16.019 ( 0.375 -1.361 -3.151) 3.453 16.668 ( -1.312 0.592 0.419) 1.499 16.704 ( -0.603 0.344 -0.228) 0.730 20.357 ( -2.252 1.917 1.705) 3.414 20.541 ( 2.545 -1.632 0.926) 3.161 20.651 ( -0.666 0.587 -2.274) 2.441 20.752 ( 0.873 0.347 -0.763) 1.210 26.575 ( -3.474 -0.731 0.873) 3.656 26.667 ( 0.026 -0.149 0.089) 0.175 26.673 ( 0.081 0.167 -0.102) 0.212 26.795 ( -0.512 2.455 2.795) 3.755 26.950 ( 6.897 -2.558 -1.361) 7.481 27.197 ( 0.761 1.762 -4.027) 4.461 28.442 ( -4.757 1.652 0.113) 5.037 28.639 ( 4.655 3.134 -3.482) 6.604 28.683 ( -7.137 2.454 4.322) 8.697 28.737 ( 1.293 -2.454 3.295) 4.307 28.876 ( -4.670 -0.258 -0.518) 4.705 29.217 ( 11.191 -2.688 -2.581) 11.795 30.945 ( -1.617 -0.122 -8.435) 8.589 31.091 ( -1.233 -3.397 12.929) 13.424 31.280 ( -5.125 2.055 -7.428) 9.256 31.489 ( -8.994 3.961 9.468) 13.646 31.726 ( 5.097 -4.067 -3.157) 7.244 32.088 ( 8.060 -2.502 -2.254) 8.736 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.746 13.847 9.193) 17.285 2.323 ( 1.960 9.912 -0.915) 10.145 2.414 ( 0.782 -4.054 -4.019) 5.762 2.516 ( -2.979 5.824 -4.697) 8.053 2.674 ( -3.771 1.132 -0.391) 3.956 2.778 ( -1.296 -4.995 -6.803) 8.539 3.033 ( -4.224 -4.069 0.377) 5.877 3.122 ( 1.841 -6.911 -6.216) 9.476 3.298 ( 0.936 -1.730 0.751) 2.106 3.391 ( 0.833 -5.002 -2.333) 5.582 3.511 ( -1.925 -6.623 3.136) 7.577 3.673 ( 2.365 -0.625 -2.456) 3.466 3.690 ( -0.789 -0.462 -3.500) 3.617 3.767 ( 3.724 -0.387 6.134) 7.187 3.860 ( 0.535 2.531 0.719) 2.685 3.901 ( -0.986 -0.109 5.345) 5.436 4.122 ( -6.032 2.981 8.474) 10.820 4.233 ( 2.912 11.692 2.655) 12.338 4.420 ( 7.008 3.224 -4.699) 9.032 4.628 ( 3.073 -0.671 5.603) 6.425 4.709 ( 0.108 -2.245 -10.448) 10.687 4.886 ( -3.334 2.214 -6.616) 7.732 4.923 ( -0.120 -0.223 -2.176) 2.191 4.998 ( 4.194 1.992 -5.160) 6.941 5.051 ( -2.113 2.628 3.243) 4.679 5.175 ( -0.342 -0.786 -7.402) 7.452 5.200 ( 2.230 -2.085 -9.686) 10.156 5.325 ( -3.383 0.010 7.566) 8.288 5.365 ( 1.638 -6.880 2.702) 7.571 5.440 ( 0.516 3.982 3.445) 5.291 5.737 ( -3.578 -0.803 1.702) 4.042 5.751 ( 0.033 -0.181 6.371) 6.374 5.912 ( -3.692 -7.585 1.495) 8.567 5.965 ( 4.533 -0.351 2.546) 5.210 6.228 ( -1.829 0.605 7.252) 7.504 6.505 ( -4.205 2.340 -0.472) 4.836 7.716 ( -4.581 -1.989 -3.756) 6.248 7.850 ( -5.189 -2.943 2.789) 6.586 7.966 ( 4.639 -0.719 0.060) 4.695 8.005 ( 0.777 -6.476 2.615) 7.027 8.164 ( -0.589 -3.163 -2.452) 4.046 8.324 ( 9.226 -5.956 -2.101) 11.180 9.385 ( -2.307 3.849 -1.088) 4.618 9.476 ( -2.042 1.519 6.193) 6.695 9.640 ( 0.828 0.770 -9.509) 9.575 9.836 ( -2.169 3.648 -8.225) 9.256 9.915 ( 0.717 1.408 10.237) 10.358 10.272 ( -0.715 -0.723 8.907) 8.965 10.543 ( 2.847 1.480 -7.624) 8.272 10.623 ( -0.069 6.998 -5.517) 8.912 10.717 ( -0.396 1.761 2.258) 2.890 10.867 ( 0.810 2.586 0.927) 2.864 12.292 ( -3.819 5.312 0.229) 6.547 12.410 ( -1.546 5.621 0.170) 5.832 12.748 ( -0.510 -1.253 0.379) 1.404 12.824 ( -2.744 -5.457 -0.569) 6.135 12.961 ( 5.931 -2.367 1.356) 6.528 12.999 ( 5.273 -4.056 -2.171) 6.998 13.712 ( -0.016 0.737 -0.749) 1.050 13.862 ( -2.614 -2.967 3.562) 5.322 13.914 ( 1.548 0.351 -4.704) 4.964 14.037 ( 0.912 -3.845 1.684) 4.295 15.246 ( -0.407 -0.898 -0.568) 1.138 15.303 ( 1.814 0.006 -3.680) 4.103 15.640 ( -3.182 -0.628 8.922) 9.493 16.020 ( 0.849 0.520 -2.837) 3.007 16.634 ( -0.432 2.224 0.546) 2.330 16.675 ( -0.064 2.108 -0.428) 2.152 20.312 ( -2.507 0.866 1.895) 3.260 20.597 ( 2.388 0.496 -2.941) 3.821 20.629 ( 1.400 0.149 2.467) 2.841 20.737 ( -0.920 0.274 -3.545) 3.673 26.564 ( -3.103 -1.520 1.864) 3.926 26.670 ( 0.041 -0.104 -0.032) 0.117 26.672 ( 0.095 0.114 0.013) 0.149 26.771 ( -0.084 1.008 1.886) 2.140 27.057 ( 6.230 -1.753 -1.846) 6.730 27.153 ( 0.648 1.493 -6.741) 6.935 28.356 ( -4.347 1.663 -0.444) 4.675 28.535 ( -7.495 4.782 1.844) 9.080 28.611 ( 4.528 3.448 -3.802) 6.844 28.791 ( 2.335 0.571 5.247) 5.771 28.866 ( -1.875 -0.108 1.260) 2.261 29.301 ( 7.820 2.433 -8.721) 11.964 30.906 ( -2.230 -0.887 -4.414) 5.024 31.145 ( -1.160 -0.343 -1.221) 1.719 31.246 ( -3.462 -0.893 5.996) 6.981 31.465 ( -4.761 -6.376 18.931) 20.535 31.766 ( 9.084 7.299 -0.136) 11.654 32.250 ( -3.032 -15.156 -8.043) 17.424 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.377 0.000 -1.240) 1.296 2.355 ( 4.945 0.000 4.542) 6.714 2.369 ( 13.088 0.000 -7.133) 14.906 2.476 ( -11.466 -0.000 12.303) 16.817 2.544 ( 10.440 0.000 7.824) 13.046 2.935 ( 1.222 0.000 -7.840) 7.935 3.101 ( -6.563 -0.000 -9.644) 11.665 3.114 ( 2.198 0.000 -4.721) 5.208 3.321 ( -6.084 -0.000 -3.088) 6.823 3.394 ( -5.007 -0.000 1.339) 5.182 3.607 ( -0.051 -0.000 0.167) 0.175 3.636 ( -0.273 -0.000 0.828) 0.872 3.706 ( -2.421 -0.000 4.799) 5.375 3.722 ( -1.944 -0.000 -0.545) 2.019 3.906 ( -1.456 -0.000 -1.261) 1.927 3.955 ( 5.183 0.000 7.078) 8.773 4.018 ( 1.069 0.000 7.921) 7.993 4.109 ( -2.213 -0.000 -10.440) 10.672 4.467 ( -21.994 -0.000 -7.184) 23.137 4.519 ( 4.435 0.000 3.895) 5.903 4.603 ( -2.286 -0.000 9.282) 9.560 4.807 ( 6.302 0.000 1.748) 6.540 4.997 ( 2.279 0.000 -5.400) 5.861 5.045 ( 3.874 0.000 5.010) 6.333 5.102 ( -2.592 -0.000 -3.046) 4.000 5.113 ( 17.928 0.000 13.657) 22.538 5.227 ( 2.754 0.000 -2.196) 3.522 5.390 ( 1.845 0.000 2.349) 2.987 5.496 ( -8.039 -0.000 -7.213) 10.801 5.609 ( 1.106 0.000 -4.445) 4.580 5.636 ( 10.393 0.000 1.818) 10.551 5.711 ( -4.417 -0.000 -4.914) 6.608 5.891 ( -10.862 -0.000 5.415) 12.137 5.979 ( 0.544 0.000 -0.797) 0.965 6.271 ( -0.985 -0.000 0.071) 0.988 6.436 ( -0.074 -0.000 -8.829) 8.829 7.667 ( 0.346 0.000 0.042) 0.348 7.724 ( 2.317 0.000 -1.822) 2.948 8.046 ( -0.029 -0.000 0.586) 0.587 8.055 ( -1.489 -0.000 1.296) 1.974 8.126 ( 1.451 0.000 4.139) 4.386 8.386 ( 0.584 0.000 -2.186) 2.263 9.450 ( 0.742 0.000 -2.893) 2.986 9.477 ( -1.120 -0.000 5.098) 5.220 9.648 ( 1.083 0.000 -5.639) 5.742 9.726 ( 1.658 0.000 10.903) 11.028 10.093 ( -2.302 -0.000 11.270) 11.503 10.211 ( 0.428 0.000 -11.557) 11.565 10.548 ( 1.371 0.000 5.051) 5.233 10.597 ( -2.183 -0.000 1.141) 2.463 10.705 ( 1.614 0.000 -8.392) 8.546 10.830 ( -2.556 -0.000 -4.230) 4.942 12.325 ( -0.457 -0.000 0.373) 0.590 12.401 ( 0.475 0.000 -1.553) 1.624 12.730 ( -1.978 -0.000 0.228) 1.991 12.739 ( 1.336 0.000 0.020) 1.336 12.983 ( -1.932 -0.000 0.681) 2.049 13.009 ( 2.856 0.000 0.194) 2.863 13.728 ( 5.991 0.000 -1.851) 6.271 13.792 ( -0.245 -0.000 -3.491) 3.499 13.956 ( -4.860 -0.000 3.636) 6.070 14.061 ( -0.210 -0.000 0.998) 1.019 15.255 ( 0.401 0.000 0.283) 0.491 15.345 ( 2.117 0.000 -2.014) 2.922 15.727 ( -4.453 -0.000 2.828) 5.275 15.889 ( 1.410 0.000 -1.204) 1.854 16.639 ( -0.618 -0.000 0.391) 0.731 16.655 ( 0.739 0.000 -0.038) 0.740 20.454 ( -0.124 -0.000 1.464) 1.469 20.455 ( -0.526 -0.000 2.346) 2.404 20.668 ( -0.682 -0.000 -0.818) 1.065 20.733 ( 3.236 0.000 -1.203) 3.453 26.571 ( -1.219 -0.000 1.055) 1.612 26.672 ( 0.017 0.000 -0.036) 0.040 26.672 ( 0.016 0.000 0.017) 0.023 26.842 ( 2.233 0.000 -7.336) 7.669 26.940 ( 1.081 0.000 7.846) 7.920 27.303 ( 2.180 0.000 2.980) 3.693 28.379 ( 0.360 0.000 0.049) 0.364 28.385 ( -0.798 -0.000 0.152) 0.812 28.629 ( -0.633 -0.000 1.590) 1.711 28.792 ( 1.513 0.000 2.823) 3.203 28.890 ( -3.312 -0.000 -0.705) 3.386 29.202 ( 8.947 0.000 3.760) 9.704 31.011 ( 1.031 0.000 -14.390) 14.427 31.137 ( 0.334 0.000 1.359) 1.400 31.142 ( -0.849 -0.000 0.291) 0.897 31.677 ( -15.308 -0.000 -16.981) 22.862 31.774 ( -18.031 -0.000 13.895) 22.764 32.081 ( 20.954 0.000 3.263) 21.206 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -17.302 -0.749 -4.217) 17.824 2.360 ( -19.755 -2.745 8.173) 21.555 2.479 ( 11.611 -0.352 -1.363) 11.696 2.571 ( 12.864 -1.834 6.052) 14.334 2.656 ( 10.078 2.117 14.021) 17.397 2.937 ( 1.324 0.775 -2.041) 2.553 3.048 ( -0.869 -2.329 -10.681) 10.966 3.151 ( 2.466 1.078 -4.419) 5.174 3.183 ( -6.296 0.531 -9.949) 11.786 3.407 ( 3.676 -2.464 -2.027) 4.867 3.540 ( -1.134 7.234 1.283) 7.433 3.570 ( -1.607 3.012 -1.879) 3.896 3.714 ( 0.243 -1.717 0.119) 1.738 3.750 ( 0.845 -2.094 3.779) 4.403 3.879 ( 0.771 1.975 0.017) 2.120 3.974 ( -4.877 3.575 -0.753) 6.094 4.078 ( 2.864 -3.596 6.603) 8.046 4.117 ( -5.198 -5.783 0.880) 7.825 4.279 ( -11.729 -2.918 -7.406) 14.175 4.530 ( 5.700 3.002 3.771) 7.465 4.700 ( 1.383 -4.873 9.484) 10.753 4.901 ( 3.918 -1.994 3.044) 5.347 5.002 ( 3.633 0.607 -5.437) 6.568 5.064 ( -3.166 -1.519 -5.369) 6.416 5.104 ( 3.531 0.718 4.838) 6.032 5.234 ( 2.512 2.144 2.900) 4.395 5.283 ( 4.166 3.157 2.993) 6.023 5.390 ( 4.819 0.578 6.962) 8.487 5.439 ( -3.531 -1.906 -1.458) 4.269 5.575 ( -3.373 5.056 -7.203) 9.425 5.641 ( -0.481 -2.419 -5.391) 5.929 5.709 ( 2.422 2.819 3.232) 4.925 5.816 ( -2.935 0.234 1.219) 3.187 5.975 ( 2.663 0.316 -3.944) 4.769 6.224 ( -1.217 1.534 1.996) 2.796 6.458 ( -2.905 -5.309 -7.100) 9.329 7.697 ( 2.664 -1.363 -0.303) 3.008 7.801 ( 6.536 -4.201 -1.658) 7.944 7.992 ( 2.910 5.380 2.790) 6.723 8.077 ( 1.888 2.091 0.183) 2.823 8.115 ( 2.624 4.759 3.243) 6.329 8.306 ( 1.359 7.374 -3.077) 8.105 9.431 ( -0.124 0.326 1.043) 1.100 9.505 ( -2.894 -2.133 2.349) 4.294 9.631 ( -0.800 -0.207 -4.526) 4.600 9.809 ( -0.433 -2.963 12.197) 12.559 10.060 ( -4.626 2.993 -0.446) 5.527 10.187 ( -0.918 -1.260 -0.364) 1.601 10.574 ( -2.243 -1.944 2.192) 3.690 10.601 ( -3.119 -1.812 0.628) 3.661 10.704 ( -1.189 -3.507 -7.343) 8.224 10.799 ( -3.506 -2.746 -4.628) 6.423 12.364 ( -3.623 -5.632 0.258) 6.702 12.425 ( -3.259 -4.535 -1.176) 5.707 12.718 ( 0.177 0.091 -0.539) 0.575 12.775 ( 5.754 -0.051 0.308) 5.763 12.917 ( -0.096 5.085 0.291) 5.094 12.984 ( 3.856 6.822 0.770) 7.875 13.760 ( 0.256 0.596 -4.431) 4.478 13.812 ( 6.452 -1.660 -1.180) 6.766 13.912 ( -2.691 2.083 3.541) 4.911 14.052 ( 0.926 2.086 1.185) 2.571 15.258 ( 0.951 0.616 0.451) 1.219 15.353 ( 2.812 1.015 -2.611) 3.970 15.673 ( -4.593 1.433 3.842) 6.157 15.927 ( 0.729 -2.864 -1.533) 3.329 16.635 ( -2.526 -1.288 0.212) 2.843 16.668 ( -0.893 -1.376 0.162) 1.648 20.435 ( -1.001 1.753 1.487) 2.507 20.479 ( 0.222 -1.518 2.071) 2.577 20.646 ( -2.387 0.024 -1.413) 2.774 20.772 ( 4.556 0.069 -0.301) 4.566 26.572 ( 0.047 0.121 0.984) 0.992 26.668 ( 0.030 0.201 0.105) 0.229 26.675 ( -0.011 -0.106 -0.109) 0.153 26.847 ( 2.509 -1.129 -6.567) 7.120 26.946 ( 0.803 3.531 7.964) 8.749 27.303 ( 1.785 3.131 1.743) 4.003 28.417 ( -1.141 -3.880 0.242) 4.052 28.458 ( 0.747 -6.835 0.563) 6.898 28.631 ( -2.943 -1.717 1.047) 3.564 28.785 ( -2.213 1.569 4.432) 5.196 28.847 ( -4.099 -0.011 -3.601) 5.456 29.285 ( 10.415 3.462 6.834) 12.929 30.953 ( 0.034 0.441 -14.469) 14.476 31.072 ( -0.859 2.174 3.571) 4.268 31.235 ( -2.622 -5.855 -3.148) 7.146 31.490 ( -8.362 -1.232 -12.657) 15.220 31.631 ( -14.532 2.480 10.252) 17.957 32.275 ( 22.198 4.784 2.328) 22.826 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -20.733 -9.093 -2.555) 22.783 2.290 ( -17.932 -8.628 5.884) 20.752 2.540 ( 4.956 2.756 1.478) 5.861 2.664 ( 3.996 -0.339 2.686) 4.827 2.756 ( 3.249 5.303 3.907) 7.345 2.901 ( 5.511 5.265 3.091) 8.225 3.019 ( -2.287 0.271 -3.845) 4.482 3.107 ( 1.002 -3.012 -6.776) 7.483 3.198 ( 7.308 0.350 0.411) 7.328 3.379 ( 0.805 7.103 -6.708) 9.803 3.451 ( 0.888 2.769 -3.123) 4.268 3.595 ( 5.054 -4.495 0.382) 6.774 3.771 ( 1.054 -1.984 0.399) 2.282 3.804 ( -3.710 4.704 -2.864) 6.640 3.820 ( 1.589 -2.386 4.958) 5.727 3.888 ( 0.743 1.887 1.584) 2.573 4.140 ( -10.996 -6.037 1.832) 12.677 4.178 ( -2.708 -5.794 2.789) 6.977 4.264 ( 0.408 -2.956 -3.685) 4.741 4.606 ( 10.416 -1.057 -0.387) 10.477 4.831 ( -0.376 -3.632 3.441) 5.017 4.926 ( -0.288 2.281 1.967) 3.026 4.980 ( 2.647 -1.238 -7.586) 8.129 5.086 ( -1.029 -1.676 1.452) 2.445 5.097 ( -4.450 8.482 -4.454) 10.563 5.141 ( 4.643 2.903 3.606) 6.557 5.254 ( 2.007 3.477 4.350) 5.919 5.363 ( -4.385 7.628 -4.075) 9.696 5.478 ( 1.386 -2.062 2.794) 3.739 5.501 ( 5.739 1.268 6.853) 9.028 5.661 ( -1.730 -1.359 -5.371) 5.804 5.691 ( -0.975 -2.404 1.626) 3.062 5.778 ( -0.976 2.479 -0.876) 2.804 6.004 ( 4.702 -0.296 -3.581) 5.917 6.229 ( -1.868 -1.064 6.552) 6.895 6.473 ( -5.261 -3.674 -4.945) 8.102 7.743 ( 3.344 0.353 -1.521) 3.691 7.918 ( 2.175 3.647 2.077) 4.727 7.965 ( 4.623 3.956 2.796) 6.696 8.006 ( 5.733 2.207 -2.083) 6.486 8.089 ( 4.645 1.529 1.520) 5.120 8.227 ( 5.330 2.725 -3.650) 7.011 9.440 ( -0.780 -0.444 1.093) 1.415 9.504 ( -4.150 -0.357 6.032) 7.330 9.606 ( -1.616 -1.298 -7.244) 7.535 9.896 ( -2.516 -2.082 11.654) 12.103 9.940 ( -4.582 2.288 -5.968) 7.864 10.212 ( -1.754 -1.729 6.351) 6.812 10.540 ( -4.359 -0.944 -5.237) 6.879 10.654 ( -1.587 -4.574 2.973) 5.681 10.722 ( -2.591 -2.386 -6.602) 7.483 10.809 ( -3.947 -4.077 -2.537) 6.216 12.387 ( -8.493 -2.296 0.176) 8.800 12.449 ( -7.737 -4.179 -0.354) 8.801 12.723 ( 0.216 -0.402 -0.974) 1.075 12.845 ( 5.325 2.098 0.163) 5.726 12.892 ( 10.093 1.166 0.707) 10.185 12.899 ( 5.253 4.560 0.162) 6.959 13.735 ( 0.331 0.066 -4.777) 4.789 13.859 ( -1.979 2.532 3.991) 5.124 13.908 ( 6.864 -1.190 -1.670) 7.164 14.022 ( 1.553 2.869 1.468) 3.578 15.255 ( 1.096 1.056 0.290) 1.549 15.344 ( 2.778 1.696 -3.636) 4.880 15.632 ( -4.492 0.225 6.216) 7.673 15.975 ( 0.436 -2.656 -2.084) 3.404 16.633 ( -3.263 -1.665 0.158) 3.667 16.681 ( -1.833 -1.459 0.191) 2.350 20.385 ( -2.100 2.773 1.515) 3.794 20.523 ( 0.672 -2.136 0.484) 2.291 20.623 ( -2.196 -1.020 -1.063) 2.645 20.804 ( 4.498 1.862 -0.048) 4.868 26.566 ( 0.130 1.143 1.238) 1.690 26.667 ( 0.102 0.022 0.150) 0.182 26.675 ( -0.037 0.035 -0.141) 0.150 26.845 ( 0.083 2.248 -0.248) 2.263 26.956 ( 3.299 -1.541 0.817) 3.732 27.261 ( 2.514 3.919 -0.411) 4.675 28.428 ( -3.793 1.236 0.645) 4.041 28.579 ( -1.872 -6.291 0.285) 6.570 28.666 ( -2.442 -3.010 2.389) 4.553 28.756 ( -3.731 -0.480 0.584) 3.807 28.768 ( -3.850 0.513 -2.448) 4.591 29.372 ( 12.978 2.986 4.828) 14.166 30.889 ( -1.564 -0.078 -10.388) 10.506 31.074 ( -1.775 -1.337 6.749) 7.105 31.220 ( -3.829 -0.408 -5.514) 6.725 31.478 ( -8.297 0.296 4.620) 9.501 31.524 ( -4.953 -8.064 -4.378) 10.427 32.367 ( 20.024 10.183 1.109) 22.492 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -15.728 -17.459 -2.719) 23.656 2.348 ( -10.505 -12.052 3.648) 16.399 2.536 ( 4.206 4.113 2.473) 6.381 2.618 ( 2.589 5.383 -5.937) 8.422 2.732 ( 2.567 5.935 3.495) 7.350 2.809 ( 1.486 10.450 9.939) 14.498 2.993 ( 4.333 -0.561 -6.354) 7.711 3.149 ( -0.323 10.517 -5.756) 11.993 3.201 ( 3.529 -6.508 -5.051) 8.962 3.360 ( 5.453 -3.441 4.644) 7.946 3.451 ( 1.992 -0.949 -3.457) 4.101 3.668 ( -1.681 2.503 -7.340) 7.935 3.686 ( 1.214 -0.505 3.545) 3.781 3.825 ( 1.102 -0.416 4.822) 4.964 3.873 ( -0.417 -0.284 -1.314) 1.407 3.904 ( 0.735 -2.348 6.074) 6.553 4.124 ( -8.678 -1.432 1.531) 8.927 4.257 ( -8.412 -8.529 4.174) 12.686 4.324 ( 1.814 -3.937 -3.512) 5.579 4.660 ( 3.150 6.262 -5.959) 9.200 4.742 ( -4.008 6.749 -8.098) 11.278 4.888 ( -0.998 3.329 -6.317) 7.210 4.948 ( 7.438 -2.870 -4.546) 9.178 5.063 ( 1.558 -2.951 1.057) 3.500 5.093 ( -0.836 0.324 3.669) 3.777 5.168 ( 5.003 3.364 0.641) 6.063 5.200 ( -0.122 5.122 -3.040) 5.958 5.284 ( 1.616 -1.116 9.058) 9.268 5.432 ( 0.761 7.179 -0.884) 7.273 5.532 ( 2.008 2.734 3.886) 5.158 5.664 ( -2.273 -3.059 -1.740) 4.189 5.737 ( -2.344 -1.485 1.573) 3.190 5.782 ( -0.118 -5.349 2.719) 6.002 6.036 ( 3.309 0.734 1.273) 3.621 6.245 ( -2.709 0.183 7.576) 8.048 6.443 ( -6.120 -1.799 -3.417) 7.236 7.705 ( 0.980 4.272 -3.818) 5.812 7.832 ( -1.156 3.195 3.757) 5.066 7.983 ( 3.484 -0.003 3.655) 5.050 8.032 ( 5.456 2.605 -0.308) 6.054 8.145 ( 3.349 0.429 -1.826) 3.838 8.316 ( 9.226 -4.454 -3.127) 10.711 9.409 ( -2.362 1.853 -0.419) 3.031 9.501 ( -3.307 0.729 9.083) 9.694 9.593 ( -0.168 -2.261 -8.332) 8.635 9.826 ( -2.791 1.733 -7.487) 8.176 9.957 ( -1.286 -1.072 11.087) 11.213 10.268 ( -1.073 -2.878 7.330) 7.948 10.517 ( -0.777 -2.075 -4.944) 5.418 10.649 ( -3.520 1.089 -9.540) 10.226 10.721 ( -1.938 -1.028 2.440) 3.281 10.838 ( -3.328 -4.350 -1.253) 5.619 12.302 ( -6.166 1.463 0.151) 6.339 12.412 ( -6.686 -0.851 0.030) 6.740 12.737 ( 0.588 -0.914 0.066) 1.089 12.802 ( 3.230 3.917 -0.605) 5.113 12.962 ( 3.776 -2.715 -0.198) 4.655 13.022 ( 9.121 -1.345 0.270) 9.224 13.728 ( 1.303 0.197 -2.913) 3.197 13.818 ( -2.268 0.772 3.581) 4.308 13.951 ( 3.953 2.046 -4.207) 6.125 14.026 ( 2.251 -0.433 3.548) 4.224 15.247 ( 0.775 0.960 -0.147) 1.243 15.324 ( 2.216 1.586 -4.172) 4.983 15.620 ( -4.463 -0.774 7.400) 8.676 16.010 ( 0.831 -1.477 -2.008) 2.627 16.629 ( -2.386 -1.176 0.213) 2.668 16.682 ( -1.386 -0.558 0.130) 1.500 20.321 ( -2.282 2.114 1.724) 3.556 20.567 ( 0.148 -2.639 -2.964) 3.971 20.628 ( -0.833 -1.247 1.063) 1.838 20.792 ( 3.518 4.007 -0.344) 5.343 26.553 ( 0.166 0.998 2.426) 2.628 26.669 ( 0.148 -0.046 0.075) 0.172 26.674 ( 0.003 0.028 -0.024) 0.037 26.803 ( -0.560 2.003 2.491) 3.245 27.021 ( 1.041 -2.650 -5.566) 6.252 27.231 ( 5.454 3.344 -1.067) 6.486 28.346 ( -3.908 2.202 0.289) 4.495 28.542 ( -7.728 4.183 0.748) 8.819 28.645 ( -0.398 -1.048 -4.620) 4.754 28.786 ( -1.123 -2.676 4.894) 5.690 28.806 ( -0.954 -4.908 0.255) 5.007 29.443 ( 11.033 4.644 -2.552) 12.239 30.852 ( -2.163 -0.958 -2.421) 3.385 31.110 ( -1.471 -2.036 1.662) 3.012 31.208 ( -2.290 -1.915 3.513) 4.610 31.411 ( -5.803 -1.040 9.616) 11.280 31.664 ( -4.403 -13.069 -8.649) 16.278 32.335 ( 14.830 13.414 -0.501) 20.003 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -23.519 -0.000 -6.205) 24.324 2.106 ( -27.487 -0.000 4.602) 27.870 2.585 ( 8.839 0.000 -0.430) 8.849 2.697 ( 6.965 0.000 2.729) 7.480 2.821 ( -15.941 -0.000 -10.039) 18.839 2.865 ( 8.509 0.000 13.575) 16.022 3.023 ( -10.013 -0.000 -13.143) 16.523 3.060 ( 14.744 0.000 -1.181) 14.791 3.232 ( 10.760 0.000 -4.808) 11.785 3.396 ( 4.800 0.000 -2.780) 5.547 3.569 ( -1.540 -0.000 -1.234) 1.973 3.639 ( -0.944 -0.000 3.569) 3.692 3.714 ( 4.058 0.000 -0.869) 4.150 3.765 ( 3.538 0.000 4.787) 5.953 3.922 ( -3.692 -0.000 5.730) 6.817 3.950 ( -3.701 -0.000 7.255) 8.144 3.978 ( -1.936 -0.000 -8.922) 9.129 4.097 ( 1.239 0.000 7.635) 7.735 4.233 ( 2.790 0.000 -2.476) 3.730 4.643 ( 4.576 0.000 5.060) 6.822 4.676 ( -0.178 -0.000 9.199) 9.200 4.925 ( 3.185 0.000 0.416) 3.213 4.985 ( -5.378 -0.000 -0.222) 5.383 5.028 ( 4.241 0.000 -2.936) 5.158 5.171 ( 3.005 0.000 3.360) 4.508 5.283 ( -5.402 -0.000 -5.519) 7.723 5.290 ( 2.556 0.000 5.440) 6.010 5.415 ( -0.429 -0.000 -1.663) 1.717 5.462 ( -2.969 -0.000 6.219) 6.891 5.570 ( -0.577 -0.000 -5.917) 5.945 5.616 ( 3.801 0.000 2.413) 4.502 5.756 ( -4.262 -0.000 0.879) 4.352 5.801 ( 5.823 0.000 -3.256) 6.671 5.983 ( 4.551 0.000 -10.869) 11.783 6.240 ( -1.694 -0.000 2.064) 2.670 6.349 ( -1.158 -0.000 -6.311) 6.416 7.734 ( 6.279 0.000 0.320) 6.287 7.835 ( 9.150 0.000 -0.762) 9.181 8.109 ( 5.299 0.000 0.548) 5.327 8.127 ( 6.156 0.000 1.520) 6.341 8.211 ( 3.748 0.000 3.649) 5.231 8.386 ( 1.691 0.000 -3.412) 3.808 9.429 ( -1.145 -0.000 -0.816) 1.406 9.460 ( -3.156 -0.000 2.995) 4.351 9.599 ( -3.208 -0.000 -1.215) 3.430 9.817 ( -2.186 -0.000 12.804) 12.990 10.075 ( -7.434 -0.000 6.503) 9.877 10.094 ( -2.305 -0.000 -12.143) 12.360 10.503 ( -6.923 -0.000 -0.185) 6.925 10.562 ( -4.515 -0.000 2.964) 5.401 10.638 ( -1.771 -0.000 -5.269) 5.559 10.684 ( -6.461 -0.000 -4.473) 7.858 12.277 ( -4.015 -0.000 0.391) 4.034 12.346 ( -3.966 -0.000 -1.031) 4.098 12.695 ( -3.852 -0.000 -1.541) 4.148 12.847 ( 8.209 0.000 0.523) 8.226 12.969 ( 2.325 0.000 0.183) 2.332 13.100 ( 4.886 0.000 1.406) 5.085 13.738 ( -0.230 -0.000 -6.263) 6.267 13.883 ( 8.901 0.000 1.033) 8.961 13.924 ( -1.419 -0.000 2.859) 3.192 14.095 ( 2.262 0.000 1.731) 2.848 15.283 ( 2.190 0.000 0.689) 2.296 15.381 ( 3.134 0.000 -3.611) 4.781 15.645 ( -5.450 -0.000 3.000) 6.221 15.905 ( 0.612 0.000 -0.296) 0.680 16.590 ( -3.779 -0.000 0.135) 3.781 16.639 ( -2.318 -0.000 0.356) 2.346 20.446 ( -1.744 -0.000 1.598) 2.365 20.473 ( 0.399 0.000 1.830) 1.873 20.611 ( -3.645 -0.000 -1.228) 3.846 20.829 ( 6.307 0.000 -0.159) 6.309 26.595 ( 2.616 0.000 1.300) 2.922 26.671 ( -0.013 -0.000 -0.018) 0.022 26.673 ( 0.098 0.000 0.042) 0.107 26.835 ( 2.549 0.000 -6.093) 6.605 27.020 ( 0.258 0.000 7.567) 7.572 27.357 ( 0.906 0.000 1.873) 2.081 28.380 ( 0.422 0.000 -0.322) 0.531 28.388 ( 0.365 0.000 0.532) 0.645 28.597 ( -3.486 -0.000 1.725) 3.889 28.748 ( -8.766 -0.000 4.508) 9.857 28.813 ( -2.057 -0.000 -3.808) 4.328 29.452 ( 10.281 0.000 8.666) 13.446 30.892 ( -0.791 -0.000 -15.124) 15.145 31.095 ( -2.864 -0.000 -1.718) 3.340 31.145 ( -0.889 -0.000 1.807) 2.014 31.354 ( -5.883 -0.000 -10.508) 12.043 31.547 ( -12.832 -0.000 7.689) 14.959 32.570 ( 24.554 0.000 1.268) 24.587 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -26.972 -3.434 -2.676) 27.321 1.897 ( -28.490 -8.831 0.268) 29.828 2.554 ( -23.113 -7.062 -7.446) 25.289 2.631 ( -0.371 1.984 1.290) 2.395 2.793 ( -2.883 -4.926 -2.026) 6.057 2.917 ( 6.912 1.853 -3.838) 8.121 3.030 ( 8.726 -1.331 -1.363) 8.932 3.195 ( 15.019 5.726 3.595) 16.471 3.303 ( 9.171 0.232 -0.502) 9.187 3.506 ( 3.447 1.524 -0.548) 3.808 3.551 ( 2.536 5.012 -0.681) 5.658 3.560 ( 2.951 -0.174 2.060) 3.604 3.764 ( 3.633 -0.929 0.574) 3.794 3.817 ( -2.125 1.128 4.431) 5.042 3.848 ( 1.105 3.691 0.588) 3.897 3.923 ( -2.193 1.375 0.967) 2.763 4.015 ( 2.719 -0.624 3.701) 4.635 4.139 ( -1.910 -1.564 5.369) 5.909 4.246 ( 3.208 -0.418 -3.775) 4.972 4.709 ( 7.729 -1.307 3.502) 8.585 4.774 ( 0.002 -3.964 5.392) 6.692 4.922 ( -2.854 -0.176 -4.173) 5.059 4.967 ( 1.382 0.933 2.868) 3.318 5.064 ( 1.556 -0.368 -3.895) 4.211 5.167 ( -4.025 -0.071 5.032) 6.444 5.174 ( -3.650 4.517 -4.087) 7.102 5.331 ( -0.953 3.794 0.743) 3.982 5.399 ( -3.819 0.148 -3.574) 5.233 5.421 ( 2.552 -4.332 5.040) 7.119 5.549 ( -1.033 -1.679 -6.613) 6.900 5.632 ( -2.651 2.807 9.896) 10.622 5.725 ( -1.577 1.359 0.352) 2.112 5.866 ( 13.415 2.939 -2.209) 13.909 5.982 ( 1.873 -1.917 -13.454) 13.719 6.237 ( 0.545 0.231 4.062) 4.105 6.351 ( -1.907 -2.487 -2.899) 4.269 7.811 ( 8.335 0.582 0.286) 8.360 7.980 ( 11.464 -3.903 -1.192) 12.168 8.109 ( 4.580 5.668 1.335) 7.408 8.140 ( 3.028 6.774 1.900) 7.659 8.226 ( 6.905 4.609 1.186) 8.386 8.334 ( 4.677 4.822 -3.585) 7.614 9.419 ( -1.670 -0.584 0.146) 1.775 9.460 ( -2.834 -2.278 2.251) 4.277 9.551 ( -4.855 0.539 0.230) 4.890 9.871 ( -3.311 -2.997 13.038) 13.782 9.904 ( -6.700 3.879 -7.020) 10.451 10.138 ( -5.178 -5.617 -0.196) 7.642 10.438 ( -7.464 -2.025 -2.927) 8.269 10.524 ( -6.542 -3.743 -0.582) 7.559 10.633 ( -2.979 -2.927 -1.548) 4.454 10.659 ( -5.837 -4.171 -1.864) 7.412 12.263 ( -5.890 -2.748 0.588) 6.526 12.322 ( -5.371 -2.352 -0.799) 5.917 12.649 ( -6.882 -2.891 -1.675) 7.650 12.944 ( 9.451 -0.054 0.221) 9.454 12.990 ( 6.532 2.402 0.410) 6.972 13.091 ( 5.409 6.497 0.646) 8.479 13.717 ( 1.096 -0.149 -6.396) 6.491 13.906 ( -0.714 2.028 3.222) 3.874 13.977 ( 8.440 0.221 0.353) 8.450 14.104 ( 2.637 2.689 2.088) 4.306 15.301 ( 2.993 1.419 0.661) 3.378 15.382 ( 2.639 1.178 -5.140) 5.897 15.607 ( -4.826 -0.038 5.333) 7.192 15.928 ( 0.009 -2.177 -0.476) 2.228 16.565 ( -3.898 -1.490 0.162) 4.176 16.627 ( -3.076 -1.576 0.265) 3.466 20.413 ( -2.231 2.060 1.325) 3.313 20.494 ( -0.369 -1.304 0.190) 1.368 20.574 ( -3.141 -0.899 -0.037) 3.267 20.888 ( 6.712 0.973 -0.671) 6.816 26.618 ( 3.331 1.691 1.197) 3.923 26.670 ( 0.153 0.084 0.105) 0.204 26.675 ( 0.181 0.103 -0.051) 0.214 26.855 ( 2.583 -1.174 -4.248) 5.109 27.001 ( -0.968 3.746 5.064) 6.373 27.346 ( 1.799 2.317 -0.034) 2.934 28.391 ( -0.998 -2.179 -0.660) 2.486 28.483 ( 0.252 -4.786 1.913) 5.160 28.558 ( -4.166 -2.472 1.135) 4.976 28.678 ( -8.431 0.274 0.384) 8.445 28.761 ( -3.781 0.340 -1.259) 4.000 29.567 ( 11.559 2.235 2.813) 12.104 30.831 ( -2.195 -0.245 -5.285) 5.727 31.057 ( -2.155 -0.192 0.578) 2.240 31.158 ( -2.055 -1.405 -0.750) 2.600 31.315 ( -3.105 -5.015 -6.553) 8.817 31.446 ( -9.799 1.085 5.616) 11.347 32.755 ( 23.227 7.465 0.172) 24.398 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -21.141 -16.316 2.105) 26.788 1.881 ( -22.044 -19.600 -2.215) 29.580 2.504 ( -14.137 -10.095 -0.822) 17.391 2.624 ( -0.721 -1.348 -0.085) 1.531 2.836 ( 0.412 -2.576 -2.459) 3.585 2.940 ( 4.172 0.934 -4.441) 6.164 3.118 ( 11.110 4.944 0.027) 12.160 3.219 ( 9.491 5.255 -2.593) 11.154 3.338 ( 4.809 5.733 3.122) 8.108 3.403 ( 2.224 7.584 2.432) 8.269 3.479 ( 3.326 0.919 1.313) 3.692 3.681 ( 0.148 2.371 -3.070) 3.882 3.729 ( 1.004 2.822 3.289) 4.448 3.794 ( -2.482 -0.832 1.507) 3.020 3.842 ( -0.839 -1.771 1.982) 2.787 3.902 ( 1.599 1.381 1.377) 2.522 4.025 ( 0.292 0.992 1.308) 1.667 4.179 ( -1.781 -2.354 4.928) 5.745 4.289 ( 1.465 -2.136 -1.801) 3.154 4.748 ( -1.434 4.118 -4.976) 6.616 4.824 ( 3.560 4.899 -1.417) 6.220 4.888 ( -0.390 0.326 -11.654) 11.665 4.949 ( 1.740 1.454 -4.061) 4.651 5.016 ( -1.245 -1.879 0.577) 2.326 5.075 ( -2.945 -0.153 2.838) 4.092 5.185 ( -1.825 -2.011 6.648) 7.182 5.268 ( -2.833 2.798 0.580) 4.024 5.361 ( 3.224 1.240 3.016) 4.586 5.504 ( -3.744 -0.603 -5.247) 6.474 5.578 ( -2.641 -0.938 4.778) 5.539 5.632 ( 5.520 -2.439 -0.686) 6.074 5.702 ( 2.272 -1.256 2.797) 3.816 5.841 ( 6.863 9.386 -5.470) 12.850 6.018 ( -1.551 -3.449 0.416) 3.805 6.264 ( 1.542 0.511 4.822) 5.088 6.349 ( -3.162 -0.754 0.536) 3.294 7.828 ( 5.576 6.850 -4.174) 9.769 7.957 ( 1.978 7.941 3.738) 8.996 8.082 ( 3.896 4.438 4.072) 7.174 8.159 ( 8.628 2.733 -2.359) 9.353 8.221 ( 6.962 2.915 0.900) 7.601 8.342 ( 8.014 -0.350 -3.563) 8.777 9.401 ( -2.201 0.190 -0.262) 2.225 9.494 ( -3.861 -0.701 -4.474) 5.951 9.510 ( -1.883 -3.247 8.178) 8.999 9.779 ( -4.227 0.516 -7.583) 8.697 9.947 ( -2.598 -3.084 11.920) 12.584 10.178 ( -4.949 -6.054 -0.718) 7.852 10.425 ( -4.681 -4.349 -1.649) 6.599 10.544 ( -4.566 -3.629 -3.837) 6.982 10.653 ( -5.136 -6.104 -0.714) 8.009 10.672 ( -5.351 -3.993 -1.176) 6.779 12.235 ( -6.381 -1.359 0.479) 6.542 12.304 ( -5.976 -2.751 -0.180) 6.581 12.667 ( -4.751 -6.040 -0.744) 7.720 12.957 ( 5.517 7.501 -0.510) 9.325 13.008 ( 5.274 2.995 -0.055) 6.065 13.104 ( 8.734 -0.221 -0.576) 8.756 13.718 ( 2.043 -0.796 -5.252) 5.691 13.867 ( -0.338 3.366 3.766) 5.062 14.025 ( 5.544 2.493 -3.515) 7.022 14.090 ( 2.769 2.617 4.887) 6.197 15.296 ( 2.595 2.612 0.221) 3.688 15.358 ( 2.008 1.698 -5.299) 5.916 15.592 ( -4.184 -0.415 7.155) 8.299 15.971 ( 0.087 -2.773 -0.803) 2.888 16.564 ( -3.168 -2.451 0.210) 4.011 16.633 ( -2.741 -2.372 0.052) 3.625 20.348 ( -2.161 2.636 1.320) 3.655 20.510 ( -1.098 -2.107 -2.131) 3.192 20.585 ( -1.871 -2.198 1.165) 3.113 20.908 ( 5.638 3.669 -1.612) 6.917 26.616 ( 3.134 2.694 1.790) 4.504 26.673 ( -0.013 -0.080 -0.036) 0.089 26.674 ( 0.574 0.279 0.255) 0.688 26.847 ( -0.873 2.610 1.858) 3.321 26.970 ( -0.889 -0.919 -3.120) 3.372 27.334 ( 5.051 2.423 -2.379) 6.087 28.357 ( -2.796 2.622 0.290) 3.844 28.518 ( -4.947 -1.043 0.819) 5.122 28.559 ( -5.485 -0.393 -3.312) 6.420 28.679 ( -0.915 -8.074 1.985) 8.365 28.743 ( -3.030 -2.392 1.009) 3.990 29.614 ( 9.876 3.633 -10.768) 15.056 30.832 ( -1.072 -0.076 11.988) 12.036 31.066 ( -1.328 -2.014 1.719) 2.962 31.166 ( -1.388 -1.815 1.368) 2.663 31.373 ( -5.644 -0.489 5.640) 7.994 31.384 ( -4.399 -8.634 -6.747) 11.808 32.769 ( 18.561 15.021 -0.931) 23.896 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -28.601 -0.000 -0.097) 28.601 1.458 ( -34.812 -0.000 -10.613) 36.394 2.056 ( -43.168 -0.000 9.135) 44.124 2.652 ( -3.014 -0.000 -2.946) 4.215 2.709 ( -0.824 -0.000 -4.214) 4.294 3.065 ( 15.905 0.000 -6.221) 17.079 3.109 ( 10.326 0.000 0.575) 10.342 3.379 ( 8.100 0.000 3.648) 8.883 3.432 ( 10.044 0.000 0.311) 10.048 3.524 ( 5.353 0.000 -1.780) 5.641 3.559 ( 4.067 0.000 1.142) 4.225 3.650 ( 0.568 0.000 -1.438) 1.546 3.806 ( 2.302 0.000 0.482) 2.352 3.867 ( 2.349 0.000 -2.095) 3.148 3.919 ( 3.939 0.000 3.955) 5.582 3.960 ( 4.340 0.000 4.291) 6.103 4.072 ( 1.538 0.000 10.998) 11.105 4.111 ( -3.343 -0.000 1.695) 3.749 4.260 ( 2.565 0.000 -6.207) 6.716 4.731 ( 1.909 0.000 -5.309) 5.642 4.753 ( 0.907 0.000 8.376) 8.425 4.930 ( -1.643 -0.000 12.393) 12.501 5.002 ( 1.722 0.000 1.781) 2.477 5.060 ( 0.967 0.000 -6.794) 6.862 5.120 ( -7.257 -0.000 2.639) 7.722 5.141 ( -4.641 -0.000 -7.774) 9.054 5.335 ( -3.079 -0.000 -2.416) 3.914 5.338 ( -3.320 -0.000 0.883) 3.435 5.437 ( 5.731 0.000 -3.157) 6.543 5.506 ( 0.514 0.000 -11.942) 11.953 5.620 ( -8.405 -0.000 10.046) 13.099 5.777 ( 3.170 0.000 10.123) 10.608 5.868 ( -2.780 -0.000 -13.948) 14.222 6.050 ( 13.729 0.000 -13.654) 19.363 6.270 ( 2.226 0.000 5.837) 6.247 6.356 ( 6.033 0.000 8.057) 10.066 7.923 ( 11.427 0.000 1.047) 11.475 8.054 ( 12.191 0.000 -1.314) 12.262 8.213 ( 3.093 0.000 -1.490) 3.433 8.255 ( 3.621 0.000 3.735) 5.202 8.352 ( 8.436 0.000 0.239) 8.439 8.426 ( 6.330 0.000 -3.529) 7.248 9.396 ( -1.825 -0.000 0.365) 1.861 9.407 ( -2.517 -0.000 -2.837) 3.793 9.519 ( -5.818 -0.000 6.891) 9.019 9.837 ( -3.792 -0.000 3.946) 5.473 9.883 ( -12.444 -0.000 -2.152) 12.629 9.950 ( -3.537 -0.000 -3.893) 5.260 10.338 ( -8.750 -0.000 0.261) 8.754 10.371 ( -11.546 -0.000 -2.619) 11.840 10.573 ( -4.814 -0.000 0.954) 4.908 10.580 ( -2.250 -0.000 1.270) 2.584 12.190 ( -4.489 -0.000 0.311) 4.500 12.249 ( -4.559 -0.000 -0.456) 4.582 12.507 ( -12.219 -0.000 -1.531) 12.315 13.035 ( 8.946 0.000 -0.303) 8.951 13.088 ( 7.461 0.000 0.367) 7.470 13.202 ( 4.169 0.000 -1.710) 4.506 13.705 ( 2.382 0.000 -7.395) 7.769 13.934 ( -0.103 -0.000 4.058) 4.059 14.066 ( 7.824 0.000 -1.266) 7.926 14.171 ( 3.113 0.000 3.636) 4.787 15.358 ( 4.429 0.000 0.786) 4.498 15.391 ( 1.762 0.000 -5.870) 6.129 15.588 ( -3.302 -0.000 6.764) 7.527 15.903 ( -0.817 -0.000 0.237) 0.850 16.516 ( -3.132 -0.000 0.210) 3.139 16.578 ( -3.530 -0.000 -0.004) 3.530 20.416 ( -2.247 -0.000 1.383) 2.638 20.470 ( -1.820 -0.000 -1.722) 2.506 20.539 ( -2.378 -0.000 1.856) 3.017 20.958 ( 6.627 0.000 -3.624) 7.553 26.662 ( 0.840 0.000 0.317) 0.897 26.671 ( -0.033 -0.000 -0.012) 0.035 26.705 ( 4.749 0.000 0.777) 4.813 26.851 ( 2.967 0.000 -3.882) 4.886 27.064 ( -0.802 -0.000 4.744) 4.811 27.358 ( -0.631 -0.000 -3.408) 3.466 28.395 ( 1.495 0.000 -1.035) 1.818 28.401 ( 0.251 0.000 1.051) 1.080 28.530 ( -4.123 -0.000 1.598) 4.422 28.587 ( -8.763 -0.000 2.343) 9.071 28.699 ( -6.351 -0.000 -2.989) 7.019 29.660 ( 7.208 0.000 -20.045) 21.302 30.840 ( 0.475 0.000 24.168) 24.172 31.032 ( -1.360 -0.000 -1.516) 2.036 31.129 ( -1.987 -0.000 1.756) 2.652 31.222 ( -2.106 -0.000 -5.082) 5.501 31.384 ( -7.786 -0.000 4.420) 8.953 33.061 ( 22.688 0.000 -0.633) 22.697 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -25.535 -9.121 8.935) 28.549 1.239 ( -30.084 -19.530 -8.756) 36.920 1.917 ( -35.542 -22.786 19.787) 46.626 2.599 ( -1.376 -0.354 -4.628) 4.841 2.714 ( -1.900 -3.423 -8.924) 9.745 3.102 ( 13.033 5.853 -3.417) 14.689 3.275 ( 13.307 -0.777 -1.208) 13.384 3.441 ( 7.745 7.358 1.553) 10.796 3.475 ( 6.164 0.632 2.784) 6.793 3.507 ( 0.478 1.448 0.159) 1.533 3.584 ( 0.877 7.290 -1.795) 7.558 3.703 ( 5.170 -3.686 0.592) 6.378 3.806 ( -0.197 3.233 2.131) 3.877 3.812 ( 1.100 3.767 0.138) 3.927 3.894 ( 1.398 5.999 3.714) 7.193 4.000 ( 5.339 3.374 1.636) 6.524 4.052 ( -2.429 1.297 -0.359) 2.777 4.162 ( 1.195 -1.907 5.308) 5.765 4.250 ( -0.971 -0.939 -3.587) 3.833 4.749 ( 0.706 -1.506 -6.755) 6.956 4.813 ( 0.375 -2.162 1.593) 2.711 4.918 ( -4.368 4.851 -3.123) 7.237 4.972 ( -1.518 2.190 0.221) 2.674 5.028 ( -2.889 0.268 -0.729) 2.992 5.049 ( 0.559 1.578 1.700) 2.386 5.121 ( -3.232 -4.120 2.331) 5.732 5.281 ( -1.165 1.938 -3.915) 4.521 5.373 ( -0.130 -4.031 0.491) 4.063 5.413 ( -0.285 1.470 -15.961) 16.031 5.529 ( 0.453 -5.896 1.349) 6.065 5.601 ( -2.648 -1.048 2.742) 3.953 5.763 ( -3.382 0.104 -5.836) 6.746 5.868 ( 3.249 0.111 2.294) 3.979 6.042 ( 1.912 0.345 -14.584) 14.713 6.326 ( 3.849 1.196 9.322) 10.156 6.489 ( 14.205 7.940 23.049) 28.215 7.994 ( 7.488 5.976 -4.130) 10.432 8.134 ( 2.063 7.179 2.236) 7.797 8.205 ( 8.317 -0.577 -1.128) 8.413 8.260 ( 6.939 2.655 2.556) 7.857 8.396 ( 8.233 5.145 0.245) 9.711 8.442 ( 7.330 3.894 -2.402) 8.640 9.370 ( -2.402 -0.579 -3.331) 4.147 9.402 ( -1.889 -2.443 -3.452) 4.632 9.494 ( -4.863 -0.187 11.811) 12.774 9.705 ( -6.493 0.846 -7.227) 9.753 9.862 ( -6.148 -6.476 -0.474) 8.942 9.997 ( -5.133 -5.151 2.933) 7.841 10.264 ( -7.085 -4.737 -1.677) 8.686 10.360 ( -8.941 -8.521 0.951) 12.388 10.529 ( -4.486 -0.628 0.241) 4.536 10.586 ( -3.163 -2.136 1.397) 4.064 12.154 ( -5.017 -0.911 0.390) 5.114 12.213 ( -4.518 -1.232 -0.227) 4.689 12.449 ( -10.588 -7.898 -0.880) 13.238 13.123 ( 7.482 1.115 -0.598) 7.588 13.132 ( 6.206 3.349 0.252) 7.056 13.163 ( 2.136 3.023 -8.128) 8.931 13.707 ( 2.932 -0.481 -7.137) 7.731 13.938 ( 0.653 2.186 5.487) 5.942 14.102 ( 4.487 1.846 -5.421) 7.275 14.197 ( 3.436 2.828 6.173) 7.610 15.376 ( 2.759 2.062 -2.042) 4.004 15.387 ( 3.454 1.853 -0.934) 4.029 15.590 ( -2.087 0.411 8.062) 8.338 15.916 ( -0.988 -2.427 0.127) 2.623 16.502 ( -2.173 -1.308 0.232) 2.547 16.560 ( -3.119 -1.988 -0.445) 3.725 20.374 ( -2.064 2.111 1.051) 3.134 20.454 ( -1.962 -1.502 -2.204) 3.311 20.538 ( -2.051 -1.167 1.780) 2.956 20.989 ( 4.598 0.511 -8.002) 9.243 26.664 ( 0.277 0.290 0.122) 0.420 26.671 ( -0.034 -0.058 -0.039) 0.078 26.736 ( 5.451 2.530 0.821) 6.065 26.877 ( 1.610 -0.005 -1.766) 2.390 26.973 ( -4.793 5.922 1.294) 7.728 27.368 ( 2.813 -2.157 -7.486) 8.283 28.369 ( -0.534 0.687 -0.804) 1.185 28.455 ( -3.667 0.775 1.557) 4.059 28.515 ( -6.132 1.683 -1.453) 6.523 28.533 ( -0.475 -8.114 1.237) 8.222 28.644 ( -6.227 -3.161 -0.734) 7.022 29.568 ( -2.298 -4.524 -44.482) 44.770 31.014 ( 4.648 2.747 24.414) 25.004 31.044 ( 3.945 1.484 24.579) 24.938 31.132 ( -1.040 -0.762 5.380) 5.533 31.220 ( -1.947 -3.586 -3.955) 5.683 31.345 ( -3.220 0.164 9.414) 9.950 33.182 ( 18.329 10.043 -1.251) 20.938 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -28.908 -0.000 5.141) 29.361 0.752 ( -23.543 -0.000 20.822) 31.430 1.392 ( -41.467 -0.000 42.197) 59.161 2.548 ( -1.632 -0.000 -8.328) 8.487 2.634 ( -0.763 -0.000 -9.801) 9.831 3.284 ( 7.986 0.000 0.025) 7.986 3.374 ( 14.767 0.000 -3.019) 15.072 3.457 ( -2.439 -0.000 -4.973) 5.539 3.588 ( 6.273 0.000 7.737) 9.960 3.610 ( 4.097 0.000 -0.831) 4.181 3.665 ( 4.906 0.000 0.627) 4.946 3.700 ( 4.543 0.000 0.061) 4.544 3.827 ( -0.579 -0.000 2.302) 2.374 3.915 ( 2.297 0.000 -1.469) 2.727 3.977 ( -4.048 -0.000 -1.430) 4.293 4.022 ( 1.113 0.000 -2.929) 3.134 4.104 ( 1.910 0.000 2.743) 3.342 4.120 ( -1.961 -0.000 5.220) 5.576 4.226 ( -1.922 -0.000 -7.154) 7.408 4.710 ( 0.618 0.000 -2.799) 2.866 4.816 ( -0.120 -0.000 0.566) 0.578 4.901 ( -4.414 -0.000 -5.135) 6.772 4.960 ( -5.003 -0.000 -0.193) 5.007 5.029 ( -1.767 -0.000 11.449) 11.584 5.042 ( 3.319 0.000 -6.107) 6.950 5.083 ( -1.343 -0.000 0.428) 1.410 5.246 ( -1.200 -0.000 -13.909) 13.960 5.312 ( -2.742 -0.000 -4.011) 4.859 5.332 ( -2.689 -0.000 -17.444) 17.650 5.475 ( 0.540 0.000 -3.338) 3.382 5.545 ( -14.574 -0.000 -18.980) 23.929 5.608 ( 0.530 0.000 -3.115) 3.160 5.907 ( -8.643 -0.000 -10.148) 13.330 5.980 ( 3.499 0.000 11.647) 12.161 6.482 ( 8.121 0.000 23.011) 24.402 7.024 ( 41.481 0.000 42.811) 59.611 8.141 ( 5.937 0.000 -8.233) 10.150 8.234 ( 4.457 0.000 5.234) 6.875 8.239 ( 5.651 0.000 -2.343) 6.117 8.367 ( 5.750 0.000 1.794) 6.024 8.510 ( 6.053 0.000 0.176) 6.055 8.567 ( 7.470 0.000 -1.451) 7.610 9.310 ( -2.253 -0.000 -6.466) 6.847 9.366 ( -1.040 -0.000 -0.167) 1.054 9.489 ( -5.288 -0.000 7.268) 8.988 9.609 ( -9.745 -0.000 -0.650) 9.767 9.688 ( -4.537 -0.000 -13.443) 14.188 9.951 ( -1.497 -0.000 11.810) 11.905 10.139 ( -8.823 -0.000 -0.450) 8.834 10.182 ( -6.431 -0.000 1.377) 6.577 10.475 ( -4.564 -0.000 -0.864) 4.645 10.552 ( -2.599 -0.000 2.546) 3.638 12.108 ( -3.462 -0.000 -0.667) 3.526 12.167 ( -2.973 -0.000 -0.312) 2.990 12.250 ( -10.280 -0.000 0.191) 10.282 12.986 ( -18.749 -0.000 -30.723) 35.992 13.226 ( 5.082 0.000 0.232) 5.087 13.230 ( 4.182 0.000 -1.179) 4.345 13.703 ( 3.084 0.000 -7.462) 8.075 13.994 ( 1.245 0.000 7.865) 7.962 14.124 ( 1.942 0.000 -8.380) 8.602 14.285 ( 3.059 0.000 6.282) 6.987 15.444 ( 6.948 0.000 1.969) 7.222 15.452 ( 3.555 0.000 0.540) 3.596 15.638 ( 3.383 0.000 12.264) 12.722 15.881 ( -1.410 -0.000 0.551) 1.514 16.478 ( -0.824 -0.000 0.239) 0.858 16.509 ( -2.478 -0.000 -0.932) 2.648 20.383 ( -1.738 -0.000 0.826) 1.924 20.407 ( -1.444 -0.000 -2.508) 2.894 20.520 ( -1.934 -0.000 2.010) 2.789 20.902 ( -8.987 -0.000 -23.371) 25.039 26.667 ( 0.025 0.000 0.047) 0.053 26.670 ( -0.032 -0.000 -0.036) 0.048 26.816 ( 4.656 0.000 -0.445) 4.678 26.889 ( 2.767 0.000 -1.430) 3.115 27.067 ( -1.409 -0.000 1.895) 2.362 27.203 ( -10.295 -0.000 -20.946) 23.339 28.410 ( 0.916 0.000 -3.287) 3.412 28.411 ( -0.604 -0.000 1.618) 1.727 28.459 ( -4.970 -0.000 1.171) 5.106 28.464 ( -3.020 -0.000 0.332) 3.038 28.538 ( -5.816 -0.000 -2.640) 6.387 29.059 ( -32.776 -0.000 -54.176) 63.319 31.016 ( -0.177 -0.000 0.131) 0.220 31.087 ( -1.638 -0.000 -0.165) 1.646 31.168 ( -0.073 -0.000 -2.531) 2.532 31.257 ( -3.368 -0.000 3.861) 5.123 31.904 ( 58.178 0.000 97.875) 113.861 33.440 ( 14.299 0.000 -0.864) 14.325 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.563 0.000 33.519) 33.524 1.514 ( -2.494 -0.000 34.649) 34.739 2.086 ( 0.242 0.000 -24.748) 24.750 2.134 ( 2.769 0.000 -26.726) 26.869 2.593 ( 5.098 0.000 62.363) 62.571 3.348 ( -2.499 -0.000 1.652) 2.995 3.409 ( 1.642 0.000 -4.278) 4.582 3.464 ( 2.654 0.000 1.530) 3.064 3.530 ( -1.132 -0.000 -4.194) 4.344 3.731 ( -4.309 -0.000 -20.713) 21.156 3.778 ( -5.228 -0.000 -0.054) 5.229 3.782 ( 0.075 0.000 -2.485) 2.486 3.800 ( 0.740 0.000 -0.583) 0.942 3.821 ( 0.675 0.000 -31.968) 31.975 3.917 ( 3.093 0.000 5.185) 6.037 3.956 ( 1.994 0.000 2.298) 3.042 3.991 ( 1.464 0.000 0.522) 1.554 3.999 ( -4.372 -0.000 -1.667) 4.679 4.163 ( -0.238 -0.000 0.893) 0.924 4.190 ( -2.972 -0.000 -1.023) 3.143 4.656 ( 4.877 0.000 -3.119) 5.789 4.662 ( -3.810 -0.000 -2.582) 4.602 4.773 ( 1.276 0.000 3.412) 3.642 4.914 ( -0.735 -0.000 -7.967) 8.001 4.977 ( -4.109 -0.000 1.959) 4.552 5.059 ( 0.423 0.000 -2.606) 2.640 5.134 ( -0.695 -0.000 6.862) 6.897 5.209 ( -8.556 -0.000 2.366) 8.877 5.279 ( 12.193 0.000 -2.609) 12.469 5.299 ( 2.293 0.000 -8.150) 8.467 5.473 ( -4.194 -0.000 14.002) 14.617 5.709 ( 6.221 0.000 -7.985) 10.123 5.982 ( -0.192 -0.000 7.072) 7.074 6.068 ( -0.479 -0.000 -1.639) 1.707 7.492 ( -2.950 -0.000 31.067) 31.207 7.961 ( -3.872 -0.000 2.414) 4.563 8.039 ( 7.051 0.000 -20.542) 21.719 8.126 ( -0.556 -0.000 -9.241) 9.258 8.409 ( 2.194 0.000 2.341) 3.208 8.427 ( -1.579 -0.000 0.147) 1.586 8.602 ( -0.547 -0.000 1.196) 1.315 8.628 ( 1.151 0.000 -1.339) 1.766 9.159 ( -1.878 -0.000 1.186) 2.221 9.247 ( 0.636 0.000 -7.611) 7.638 9.396 ( -2.415 -0.000 0.393) 2.447 9.413 ( 1.921 0.000 -1.065) 2.197 9.853 ( 0.376 0.000 11.808) 11.813 10.022 ( 1.268 0.000 -4.671) 4.841 10.210 ( 1.554 0.000 4.027) 4.317 10.214 ( 1.832 0.000 6.040) 6.312 10.319 ( -0.642 -0.000 -3.379) 3.440 10.367 ( -3.827 -0.000 -5.819) 6.964 12.023 ( -3.395 -0.000 0.421) 3.421 12.037 ( 2.691 0.000 -1.016) 2.876 12.173 ( -0.891 -0.000 0.957) 1.307 12.179 ( 0.634 0.000 0.417) 0.759 13.280 ( -0.224 -0.000 0.117) 0.253 13.281 ( 0.189 0.000 0.018) 0.190 13.697 ( 3.243 0.000 3.355) 4.666 13.831 ( -3.076 -0.000 -9.454) 9.942 14.271 ( 1.596 0.000 7.256) 7.430 14.367 ( -1.556 -0.000 -2.157) 2.660 15.493 ( -0.718 -0.000 0.486) 0.867 15.507 ( 0.494 0.000 -0.835) 0.970 15.878 ( -0.985 -0.000 0.619) 1.163 15.886 ( 0.873 0.000 -0.170) 0.889 16.479 ( -0.316 -0.000 0.318) 0.448 16.485 ( 0.324 0.000 -0.239) 0.402 20.327 ( -2.032 -0.000 0.359) 2.063 20.349 ( 1.795 0.000 -1.729) 2.492 20.473 ( 1.960 0.000 1.744) 2.624 20.495 ( -1.872 -0.000 -0.437) 1.922 26.667 ( -0.073 -0.000 0.009) 0.074 26.668 ( 0.075 0.000 -0.021) 0.078 26.769 ( -1.168 -0.000 1.671) 2.039 26.810 ( 0.169 0.000 -2.339) 2.345 26.980 ( 4.347 0.000 2.057) 4.809 27.017 ( -3.981 -0.000 -1.499) 4.254 28.330 ( 4.812 0.000 -0.172) 4.815 28.335 ( -4.262 -0.000 -0.639) 4.310 28.435 ( -0.283 -0.000 0.211) 0.353 28.438 ( 0.361 0.000 -0.104) 0.376 28.504 ( -5.481 -0.000 1.404) 5.658 28.517 ( 4.954 0.000 0.119) 4.956 31.020 ( -0.029 -0.000 0.585) 0.586 31.036 ( -0.329 -0.000 -1.065) 1.115 31.193 ( 4.072 0.000 0.462) 4.098 31.203 ( -3.729 -0.000 -0.440) 3.755 33.570 ( 1.121 0.000 0.444) 1.206 33.580 ( -0.482 -0.000 -0.489) 0.687 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 1.980 -2.161 29.969) 30.112 1.718 ( 2.078 -6.444 29.037) 29.816 1.989 ( 1.547 -0.213 -27.514) 27.559 2.070 ( 1.668 -2.936 -26.242) 26.458 2.988 ( 8.505 -3.832 43.970) 44.949 3.277 ( -2.835 10.717 -10.044) 14.959 3.373 ( -4.017 -5.075 -1.807) 6.720 3.409 ( -1.445 1.320 0.127) 1.961 3.482 ( -1.286 0.158 -0.051) 1.297 3.617 ( -4.767 8.490 1.602) 9.867 3.689 ( 4.060 -1.828 -23.272) 23.694 3.728 ( 2.070 4.979 -1.851) 5.701 3.755 ( -4.971 2.681 0.879) 5.716 3.837 ( 0.811 -3.150 -4.967) 5.937 3.872 ( -4.447 3.722 -0.220) 5.803 3.974 ( 4.570 -0.331 1.142) 4.722 3.994 ( 3.264 -0.538 -2.850) 4.367 4.019 ( 3.558 1.093 0.575) 3.766 4.169 ( -2.917 -1.976 1.486) 3.824 4.201 ( -0.224 -2.940 0.425) 2.979 4.630 ( -3.757 -2.021 -2.652) 5.023 4.728 ( 4.851 -2.625 -2.762) 6.169 4.809 ( -1.374 0.272 -0.991) 1.716 4.868 ( 3.912 -0.011 -1.463) 4.176 4.990 ( 0.548 -0.259 3.729) 3.778 5.032 ( -5.596 -3.628 3.876) 7.714 5.118 ( 0.935 0.341 -4.181) 4.298 5.277 ( -1.746 -7.156 6.291) 9.687 5.303 ( 6.880 0.065 -6.639) 9.561 5.444 ( 6.718 -4.318 -4.538) 9.186 5.509 ( -4.572 -3.737 8.881) 10.666 5.735 ( 5.359 -1.095 -7.158) 9.009 6.031 ( -1.096 -2.168 3.965) 4.650 6.116 ( 3.760 -4.941 -1.596) 6.411 7.234 ( -16.092 25.083 20.220) 36.013 7.446 ( -16.920 32.655 -9.433) 37.969 7.994 ( -2.107 2.202 4.231) 5.214 8.051 ( -2.286 2.322 -7.394) 8.079 8.367 ( -2.605 7.666 1.786) 8.291 8.408 ( -2.851 1.677 -1.451) 3.612 8.526 ( -5.189 5.806 0.649) 7.814 8.574 ( -1.862 4.093 -1.438) 4.721 9.198 ( 1.149 -2.064 3.693) 4.384 9.284 ( 2.228 -3.175 -6.249) 7.355 9.378 ( 0.971 -2.292 0.634) 2.568 9.414 ( 2.967 -3.036 -2.086) 4.730 9.946 ( 3.044 -2.263 10.169) 10.853 10.046 ( 3.827 -1.774 -7.254) 8.392 10.308 ( 2.108 -4.729 1.302) 5.339 10.319 ( 1.767 -5.555 3.383) 6.740 10.376 ( -0.835 -5.216 -4.896) 7.202 10.453 ( 7.397 -9.319 1.809) 12.035 12.050 ( 0.317 -3.007 0.639) 3.090 12.167 ( 7.681 -0.619 -0.586) 7.729 12.339 ( 4.785 -19.285 -2.136) 19.985 12.401 ( 9.842 -15.520 -0.677) 18.390 13.222 ( -2.789 4.672 0.053) 5.442 13.229 ( -2.188 4.427 -0.018) 4.938 13.738 ( 0.280 0.403 1.785) 1.851 13.769 ( -1.013 -0.852 -5.439) 5.598 14.267 ( -1.472 4.216 4.949) 6.666 14.299 ( -2.142 3.406 -2.010) 4.498 15.443 ( -2.776 3.767 0.367) 4.694 15.463 ( -1.471 3.957 -0.512) 4.253 15.850 ( -2.471 1.827 1.436) 3.392 15.885 ( 0.630 -0.517 0.261) 0.856 16.482 ( 0.139 -0.924 0.285) 0.977 16.490 ( 0.620 -0.990 -0.296) 1.205 20.332 ( -0.680 -1.174 1.428) 1.970 20.412 ( 3.529 -3.378 -2.739) 5.601 20.506 ( -0.997 -2.961 -0.821) 3.231 20.558 ( 5.314 -3.728 0.013) 6.491 26.667 ( -0.078 -0.017 0.045) 0.091 26.669 ( 0.085 -0.013 -0.068) 0.110 26.763 ( -0.562 1.191 1.723) 2.169 26.795 ( -0.240 0.490 -0.502) 0.742 26.977 ( -3.852 -0.817 -4.700) 6.131 27.021 ( 4.394 1.103 2.063) 4.978 28.317 ( -0.141 -0.568 -0.638) 0.866 28.380 ( 4.936 0.076 -0.316) 4.947 28.458 ( -1.324 -1.083 0.664) 1.835 28.512 ( 0.829 -6.371 0.322) 6.433 28.580 ( 1.751 -11.642 -1.866) 11.920 28.639 ( 7.313 -5.935 0.690) 9.444 31.004 ( -0.893 1.360 1.353) 2.116 31.052 ( 2.170 -0.939 -1.352) 2.724 31.184 ( -3.386 -2.122 -0.549) 4.034 31.269 ( 5.002 -3.287 0.292) 5.993 33.249 ( -13.579 24.839 11.469) 30.544 33.338 ( -11.261 18.366 -6.561) 22.521 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 1.855 -8.925 -6.633) 11.273 1.903 ( 4.012 -10.001 13.062) 16.933 2.013 ( 10.548 -4.886 -9.535) 15.035 2.139 ( 4.380 -9.931 -1.083) 10.908 2.968 ( -7.261 11.791 2.244) 14.028 3.087 ( -0.409 8.064 3.192) 8.683 3.290 ( -9.615 5.345 -4.304) 11.813 3.345 ( -1.955 12.056 -1.371) 12.290 3.439 ( 0.207 4.123 2.216) 4.685 3.519 ( 0.122 -0.627 -0.853) 1.066 3.626 ( -4.929 4.184 0.186) 6.468 3.681 ( 0.847 3.148 0.833) 3.365 3.721 ( 4.067 -0.289 3.706) 5.510 3.818 ( -0.096 -1.334 3.968) 4.187 3.912 ( 1.817 -2.705 -3.203) 4.569 3.983 ( 4.993 1.375 -1.927) 5.526 4.037 ( 2.925 -5.166 -8.497) 10.366 4.118 ( 4.257 -3.399 4.838) 7.286 4.167 ( -4.905 -3.260 2.125) 6.262 4.291 ( 3.087 -6.019 -0.361) 6.774 4.588 ( -1.543 2.278 -5.735) 6.361 4.806 ( -2.549 -5.949 3.220) 7.229 4.826 ( 1.203 -3.893 -4.561) 6.116 4.931 ( 1.147 -1.419 1.570) 2.407 5.014 ( 3.629 0.915 7.565) 8.440 5.084 ( 1.650 2.625 -7.309) 7.939 5.134 ( 3.087 -2.951 2.596) 4.998 5.295 ( -3.604 -0.291 -1.201) 3.810 5.414 ( 3.448 -4.322 4.349) 7.034 5.522 ( 2.652 -2.153 -2.625) 4.308 5.612 ( -0.280 -7.624 1.424) 7.761 5.811 ( 5.714 -2.299 -0.195) 6.162 6.060 ( -4.696 -2.742 0.037) 5.437 6.251 ( 4.429 -4.910 -3.095) 7.301 6.662 ( -14.473 24.514 8.342) 29.665 6.705 ( -14.606 26.096 -4.496) 30.241 7.842 ( -6.128 6.678 -2.022) 9.287 8.038 ( 0.731 1.362 3.290) 3.635 8.150 ( -6.150 9.272 1.425) 11.218 8.322 ( -3.627 6.773 -0.284) 7.688 8.324 ( -5.851 7.149 -0.088) 9.238 8.462 ( -2.023 4.597 -2.893) 5.796 9.251 ( -0.003 -2.199 3.120) 3.818 9.361 ( 2.753 -4.546 -2.166) 5.739 9.493 ( 3.862 -5.310 3.520) 7.450 9.531 ( 3.557 -5.379 -3.510) 7.342 10.058 ( 2.811 -3.228 6.443) 7.735 10.111 ( 5.342 -3.261 -7.591) 9.838 10.392 ( 2.747 -2.991 -2.856) 4.965 10.442 ( -1.151 -6.115 2.226) 6.609 10.487 ( 2.983 -6.504 0.498) 7.172 10.682 ( 5.473 -7.586 0.297) 9.359 12.129 ( 1.474 -4.217 0.822) 4.542 12.247 ( 4.279 -2.553 -0.594) 5.018 12.691 ( 4.951 -12.860 -6.558) 15.261 12.741 ( 6.556 -9.310 5.083) 12.470 13.090 ( -3.128 5.324 0.367) 6.186 13.104 ( -2.846 5.879 -0.142) 6.533 13.706 ( -2.075 -0.677 -3.353) 4.001 13.795 ( 1.203 -0.395 1.351) 1.852 14.136 ( -4.432 6.640 0.168) 7.985 14.219 ( -0.762 4.555 1.602) 4.888 15.330 ( -3.100 4.606 -0.341) 5.563 15.358 ( -1.830 4.848 -0.334) 5.192 15.805 ( -3.093 0.748 1.894) 3.702 15.917 ( 2.075 -1.480 -0.480) 2.593 16.531 ( 1.510 -3.215 0.453) 3.581 16.542 ( 1.975 -3.453 -0.276) 3.988 20.351 ( -0.860 -0.683 2.288) 2.538 20.482 ( 3.148 -1.573 -1.740) 3.926 20.554 ( -0.302 -3.663 -3.197) 4.871 20.669 ( 3.813 -2.442 1.904) 4.912 26.667 ( -0.075 -0.091 0.202) 0.233 26.668 ( -0.041 0.123 -0.144) 0.194 26.724 ( -1.440 2.602 3.451) 4.555 26.803 ( 0.724 -0.418 2.758) 2.881 26.923 ( -3.190 -0.201 -7.613) 8.256 27.058 ( 4.292 0.224 0.798) 4.371 28.323 ( 1.052 0.516 -0.465) 1.261 28.443 ( 1.256 -2.581 -0.611) 2.935 28.461 ( 1.034 -0.778 0.086) 1.297 28.669 ( 0.634 -9.050 1.767) 9.243 28.820 ( 4.943 -11.894 -5.927) 14.178 28.829 ( 6.044 -5.664 3.758) 9.096 30.981 ( -0.905 1.035 4.010) 4.239 31.088 ( 3.565 -0.337 -1.676) 3.954 31.196 ( -3.282 -2.957 -0.323) 4.429 31.416 ( 6.303 -7.250 -1.341) 9.700 32.698 ( -14.813 26.264 19.532) 35.927 32.747 ( -15.000 24.838 -17.419) 33.843 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.585 -16.461 -7.374) 18.610 2.173 ( 9.681 -7.547 -14.114) 18.705 2.272 ( 10.343 -13.228 8.078) 18.634 2.422 ( 6.355 -10.604 11.779) 17.076 2.673 ( -9.388 12.086 4.476) 15.945 2.923 ( -1.763 9.099 3.626) 9.952 3.062 ( -5.891 7.033 -2.633) 9.544 3.139 ( -5.124 8.237 -0.985) 9.751 3.363 ( 1.168 6.087 -3.414) 7.076 3.431 ( -1.700 4.715 -3.623) 6.184 3.519 ( -0.905 3.181 -2.856) 4.370 3.616 ( -2.433 2.992 0.496) 3.888 3.728 ( -0.499 0.876 -0.877) 1.336 3.883 ( 2.278 1.652 5.462) 6.145 3.948 ( 1.129 -2.311 -0.314) 2.592 4.002 ( 2.299 1.376 3.109) 4.104 4.163 ( -7.333 -7.511 0.962) 10.541 4.184 ( 4.796 -6.272 -6.107) 9.982 4.270 ( 2.376 -3.836 7.238) 8.530 4.463 ( 3.899 -6.857 -4.799) 9.233 4.514 ( -0.464 0.176 -6.994) 7.011 4.849 ( -5.589 2.015 -1.304) 6.082 4.873 ( -2.386 -1.037 -6.359) 6.870 4.905 ( 3.139 1.726 -4.052) 5.409 4.994 ( -1.075 9.047 -0.737) 9.141 5.076 ( -0.281 -2.592 2.375) 3.526 5.145 ( 9.905 -1.809 8.374) 13.096 5.397 ( 0.019 -7.719 4.642) 9.007 5.481 ( 2.243 0.636 -0.532) 2.392 5.605 ( 2.145 -2.603 6.812) 7.601 5.726 ( -0.147 -4.465 -0.788) 4.537 5.873 ( -1.699 3.064 1.218) 3.709 5.957 ( -4.046 5.846 -0.617) 7.136 6.215 ( -3.755 8.999 -3.995) 10.537 6.300 ( -7.734 1.538 -2.899) 8.401 6.404 ( 1.340 1.032 4.343) 4.661 7.680 ( -3.505 4.744 -0.691) 5.938 7.924 ( -3.539 6.472 0.573) 7.399 8.073 ( -0.935 1.442 4.233) 4.569 8.115 ( -5.427 5.042 -0.589) 7.431 8.208 ( -1.089 4.986 0.784) 5.164 8.371 ( -0.473 2.612 -4.357) 5.102 9.308 ( -0.327 -3.147 1.391) 3.456 9.442 ( 1.525 -2.163 -0.110) 2.649 9.591 ( 1.483 -2.951 -5.154) 6.121 9.667 ( 3.655 -4.155 10.087) 11.505 10.156 ( 3.097 -3.269 -6.546) 7.945 10.179 ( 2.589 -1.233 2.074) 3.539 10.443 ( 2.325 -1.597 -6.470) 7.058 10.537 ( -1.428 -4.417 5.956) 7.551 10.624 ( 3.474 -4.306 0.996) 5.621 10.814 ( 1.643 -3.652 -3.387) 5.244 12.218 ( 1.564 -3.327 0.701) 3.742 12.335 ( 3.037 -2.988 -0.674) 4.313 12.803 ( -1.787 3.636 1.928) 4.487 12.809 ( -0.421 -0.926 -3.426) 3.573 13.015 ( -0.159 1.148 -0.992) 1.525 13.053 ( 0.262 -0.757 2.314) 2.448 13.710 ( -0.245 -1.832 -0.396) 1.891 13.806 ( 0.164 -0.354 -0.894) 0.975 13.979 ( -3.570 6.145 0.539) 7.127 14.145 ( -0.431 3.418 1.166) 3.637 15.247 ( -1.242 1.955 -0.411) 2.352 15.278 ( -0.671 2.337 -0.746) 2.544 15.772 ( -3.181 0.448 2.399) 4.010 15.963 ( 2.297 -1.184 -1.068) 2.797 16.605 ( 1.377 -2.775 -0.037) 3.099 16.629 ( 1.944 -3.305 0.414) 3.856 20.351 ( -1.402 0.264 2.304) 2.710 20.515 ( 1.531 -0.470 -2.664) 3.108 20.604 ( 1.369 -2.845 -2.222) 3.860 20.726 ( 1.122 -0.312 2.779) 3.013 26.658 ( -0.507 0.962 1.559) 1.901 26.670 ( -0.029 -0.168 0.225) 0.282 26.690 ( -0.195 1.589 3.715) 4.045 26.833 ( -0.228 -0.590 3.243) 3.304 26.873 ( -1.651 -0.875 -6.758) 7.011 27.104 ( 3.975 -0.767 -1.901) 4.472 28.317 ( 0.725 0.869 -0.310) 1.174 28.446 ( -2.375 -0.981 -0.009) 2.570 28.536 ( 3.946 -2.189 -1.261) 4.685 28.814 ( -1.187 -6.162 1.559) 6.466 28.954 ( 3.117 -1.123 4.804) 5.836 29.033 ( 4.796 -9.284 -6.090) 12.095 30.999 ( 0.209 -0.921 9.710) 9.755 31.117 ( 2.917 0.223 -1.333) 3.215 31.210 ( -2.361 -1.998 -0.229) 3.101 31.621 ( 6.005 -8.173 -5.626) 11.598 32.141 ( -10.262 17.010 -19.263) 27.671 32.225 ( -11.982 20.617 17.904) 29.819 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -4.078 12.840 2.697) 13.739 2.294 ( -1.336 -0.352 -5.181) 5.362 2.419 ( 3.262 -6.502 -6.653) 9.858 2.668 ( 7.694 -3.717 7.127) 11.127 2.705 ( 6.689 -7.928 4.740) 11.405 2.883 ( -3.238 1.335 -0.882) 3.612 2.907 ( 3.083 -5.594 5.546) 8.459 2.952 ( -8.197 4.994 -0.029) 9.599 3.218 ( 2.737 5.084 -10.797) 12.244 3.395 ( -1.080 -2.641 0.688) 2.935 3.477 ( 1.157 0.518 -5.243) 5.394 3.551 ( -0.689 2.231 2.408) 3.354 3.709 ( -1.637 -0.227 0.205) 1.665 3.872 ( -1.417 0.950 1.792) 2.474 3.991 ( 0.804 -1.085 -2.148) 2.537 3.994 ( -0.247 1.589 4.828) 5.089 4.203 ( -4.820 -0.796 5.954) 7.701 4.285 ( 4.365 1.101 -0.836) 4.579 4.365 ( -3.280 -1.460 0.707) 3.659 4.447 ( -8.618 1.225 -3.309) 9.313 4.493 ( 6.329 0.429 -1.397) 6.495 4.739 ( 2.018 2.408 -3.615) 4.790 4.814 ( -1.905 -0.441 -8.724) 8.940 4.857 ( 0.872 0.801 -6.679) 6.783 4.934 ( 1.920 -3.526 -5.726) 6.993 5.235 ( 2.514 -3.971 5.042) 6.893 5.316 ( 5.797 -4.126 7.058) 10.023 5.449 ( -1.575 2.049 2.610) 3.673 5.504 ( -0.558 -2.648 -0.184) 2.712 5.638 ( -2.812 1.758 7.158) 7.889 5.713 ( -1.535 4.945 0.975) 5.269 5.786 ( 4.304 -1.502 2.092) 5.016 5.881 ( -3.040 1.843 -1.890) 4.026 6.122 ( 0.856 2.526 -0.348) 2.690 6.242 ( -5.463 -1.743 -1.600) 5.953 6.432 ( 0.936 0.291 3.092) 3.244 7.620 ( 0.615 -0.013 -0.639) 0.887 7.846 ( -0.230 0.056 0.677) 0.717 8.008 ( -1.354 -0.249 0.733) 1.559 8.092 ( 0.798 -0.640 -0.158) 1.035 8.174 ( 1.264 0.010 3.288) 3.523 8.322 ( 0.152 0.801 -4.653) 4.723 9.349 ( -0.557 -1.426 -0.485) 1.606 9.467 ( 0.637 0.344 0.611) 0.947 9.610 ( -0.107 -0.872 -5.459) 5.529 9.791 ( 1.190 -1.201 13.646) 13.750 10.132 ( -0.810 1.451 -16.650) 16.733 10.240 ( 1.141 0.453 10.532) 10.603 10.435 ( 0.159 0.600 -8.108) 8.131 10.609 ( -0.937 -1.679 6.937) 7.199 10.697 ( 1.559 -0.280 1.324) 2.065 10.813 ( -1.616 1.701 -4.803) 5.346 12.264 ( 0.204 -0.167 0.336) 0.427 12.376 ( -0.371 0.399 -0.208) 0.583 12.749 ( 0.221 -0.138 0.084) 0.274 12.784 ( -0.303 0.441 -0.229) 0.582 13.008 ( -0.902 0.521 0.065) 1.043 13.076 ( 1.213 -1.155 -0.176) 1.684 13.736 ( 0.265 0.412 1.458) 1.538 13.816 ( 0.356 -0.853 -2.971) 3.111 13.889 ( -0.434 0.120 0.840) 0.953 14.112 ( 0.335 0.457 1.114) 1.250 15.227 ( 0.188 -0.224 -0.533) 0.608 15.255 ( 0.317 -0.105 -1.085) 1.135 15.744 ( -2.751 0.624 3.950) 4.854 15.989 ( 1.542 -0.046 -1.718) 2.309 16.636 ( -0.195 0.227 0.236) 0.381 16.677 ( 0.236 -0.362 -0.023) 0.433 20.344 ( -0.543 0.044 2.080) 2.150 20.512 ( -0.038 0.498 -2.005) 2.066 20.641 ( -0.053 -0.323 -1.289) 1.330 20.750 ( 1.332 -1.327 0.282) 1.901 26.649 ( 0.160 0.604 2.502) 2.578 26.673 ( 0.014 -0.093 0.042) 0.103 26.690 ( 1.196 0.624 3.148) 3.425 26.824 ( -1.459 -1.035 -5.182) 5.482 26.879 ( -1.343 -1.106 2.503) 3.048 27.143 ( 3.075 -1.115 -5.422) 6.332 28.310 ( 0.249 0.312 -0.021) 0.399 28.441 ( -0.911 -0.476 -0.116) 1.034 28.576 ( 0.414 0.052 -1.347) 1.410 28.865 ( -0.522 -0.393 1.003) 1.197 28.964 ( -2.352 3.078 6.748) 7.781 29.181 ( 4.007 -5.486 -10.698) 12.673 31.120 ( 2.388 -5.366 18.138) 19.065 31.125 ( 0.477 0.525 -0.446) 0.838 31.214 ( 0.086 0.138 0.095) 0.189 31.521 ( -5.940 10.307 -16.485) 20.329 31.860 ( -8.725 14.096 14.335) 21.917 32.103 ( 8.638 -13.889 -8.112) 18.257 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -8.692 17.099 13.517) 23.465 2.005 ( -9.690 21.190 -1.550) 23.352 2.465 ( -4.265 2.564 -10.988) 12.062 2.629 ( -1.963 6.951 -7.493) 10.407 2.823 ( 8.423 -4.679 -8.906) 13.121 2.850 ( -0.132 -0.188 10.384) 10.386 3.022 ( 6.050 -11.777 1.357) 13.309 3.220 ( 0.834 -6.321 -0.827) 6.430 3.231 ( 6.352 -9.582 -0.788) 11.523 3.463 ( -0.662 -1.633 -3.835) 4.221 3.489 ( 2.010 -5.387 1.249) 5.884 3.573 ( 1.218 -2.925 4.490) 5.496 3.704 ( -1.957 -0.873 0.850) 2.305 3.838 ( -3.674 1.042 4.620) 5.994 3.967 ( -3.379 2.165 1.943) 4.458 4.011 ( 0.856 0.220 2.302) 2.466 4.041 ( -4.653 7.658 2.918) 9.424 4.246 ( 5.158 6.680 -0.676) 8.466 4.309 ( -5.280 -2.206 1.697) 5.968 4.483 ( -1.466 -4.834 -3.966) 6.422 4.558 ( 4.975 0.278 -10.338) 11.476 4.726 ( 2.728 -0.734 1.338) 3.126 4.811 ( -2.810 -3.348 -0.413) 4.391 4.917 ( 6.070 -5.102 -3.919) 8.845 5.017 ( 1.738 -4.938 -2.771) 5.923 5.187 ( -3.703 6.611 -4.593) 8.861 5.326 ( -6.414 1.212 -6.943) 9.530 5.416 ( -1.945 1.475 3.765) 4.487 5.525 ( -0.545 2.234 -6.555) 6.947 5.589 ( -4.023 4.314 7.771) 9.756 5.707 ( 3.047 0.412 2.295) 3.836 5.856 ( 1.203 -2.128 1.137) 2.696 5.934 ( 9.289 -3.650 10.902) 14.780 6.030 ( -3.960 4.068 0.768) 5.729 6.286 ( 1.684 -8.252 1.522) 8.558 6.434 ( 0.412 0.762 2.290) 2.448 7.681 ( 3.806 -4.270 -1.097) 5.824 7.925 ( 3.615 -6.480 0.639) 7.447 8.093 ( 4.040 -6.872 1.172) 8.057 8.138 ( 1.843 -2.642 -1.054) 3.389 8.237 ( 3.157 -3.351 0.578) 4.640 8.313 ( 0.365 -1.569 -1.871) 2.469 9.335 ( -0.904 1.414 -2.255) 2.811 9.457 ( 0.170 1.650 1.105) 1.993 9.575 ( -1.690 1.329 -5.409) 5.820 9.837 ( -1.614 1.741 12.526) 12.749 9.961 ( -5.500 6.896 -14.060) 16.598 10.263 ( 0.382 2.413 9.758) 10.059 10.362 ( -1.879 2.967 -7.269) 8.073 10.607 ( -1.672 2.799 1.214) 3.479 10.672 ( -3.940 3.539 -2.537) 5.872 10.714 ( -0.370 5.003 3.897) 6.352 12.229 ( -1.365 3.045 -0.253) 3.347 12.317 ( -3.295 3.374 0.817) 4.786 12.753 ( -1.440 3.585 2.100) 4.397 12.838 ( 3.140 -5.810 -1.690) 6.817 13.000 ( 0.193 -1.965 0.487) 2.034 13.107 ( 1.234 -0.542 -2.802) 3.110 13.700 ( 0.518 3.292 -0.310) 3.347 13.836 ( 0.993 -2.406 -2.266) 3.451 13.963 ( 2.094 -4.988 1.227) 5.547 14.148 ( 1.269 -3.028 1.093) 3.460 15.251 ( 1.236 -2.087 -0.968) 2.612 15.278 ( 1.307 -2.258 -0.682) 2.697 15.731 ( -1.621 0.439 5.642) 5.887 15.980 ( 0.381 1.267 -2.039) 2.430 16.597 ( -1.657 2.955 0.524) 3.428 16.645 ( -1.586 2.778 -0.800) 3.297 20.361 ( 1.256 -0.429 1.814) 2.248 20.482 ( -1.824 1.273 -0.497) 2.280 20.604 ( -2.239 1.900 -0.961) 3.089 20.795 ( 1.662 -1.811 -4.192) 4.859 26.657 ( 0.359 -0.194 0.791) 0.891 26.673 ( -0.045 0.101 -0.046) 0.119 26.724 ( 3.586 -0.241 3.815) 5.241 26.815 ( -1.052 -1.667 -4.745) 5.138 26.880 ( -3.575 -0.747 1.843) 4.091 27.157 ( 1.684 -0.852 -8.652) 8.856 28.313 ( -0.119 -0.551 0.053) 0.566 28.444 ( 0.871 0.215 0.128) 0.906 28.532 ( -3.102 2.404 -0.882) 4.022 28.829 ( 0.760 5.310 0.203) 5.368 28.865 ( -6.128 5.562 6.333) 10.421 29.187 ( -0.103 1.796 -15.209) 15.315 31.102 ( -2.488 0.571 0.164) 2.558 31.196 ( 1.112 3.288 -2.491) 4.273 31.234 ( -1.963 3.776 -7.165) 8.334 31.403 ( 1.301 -3.285 17.486) 17.840 31.702 ( 0.309 -1.038 20.647) 20.676 32.495 ( 12.357 -20.578 -9.291) 25.739 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -8.669 20.601 13.512) 26.118 1.591 ( -6.896 14.024 23.017) 27.822 2.295 ( -3.109 2.553 -19.943) 20.345 2.441 ( -1.133 6.896 -14.812) 16.378 2.777 ( -9.140 12.358 26.431) 30.576 3.059 ( 13.100 -7.741 -0.307) 15.219 3.268 ( -0.335 -10.349 -3.684) 10.990 3.353 ( 3.738 -8.555 -2.447) 9.651 3.401 ( 6.059 -4.890 2.831) 8.285 3.489 ( -0.331 -3.408 -1.699) 3.823 3.616 ( 4.841 -4.029 3.141) 7.038 3.670 ( -2.431 -4.653 0.353) 5.261 3.719 ( -0.098 -2.951 0.969) 3.108 3.841 ( -1.642 -4.265 0.006) 4.570 3.896 ( -0.989 1.501 3.042) 3.534 3.977 ( -4.004 -1.278 -0.192) 4.207 4.024 ( -1.266 -0.692 -0.349) 1.485 4.185 ( 5.396 5.647 -0.830) 7.855 4.286 ( -3.267 0.634 -0.451) 3.358 4.425 ( -2.072 3.597 -21.227) 21.629 4.587 ( 1.817 -4.993 -7.541) 9.225 4.755 ( 2.037 1.675 1.892) 3.246 4.873 ( -2.225 -2.493 3.116) 4.569 4.980 ( -4.742 4.198 -6.943) 9.398 5.032 ( 2.540 0.710 -3.168) 4.122 5.099 ( 0.309 -1.199 4.083) 4.267 5.207 ( -6.390 -0.101 -5.288) 8.295 5.358 ( -1.078 5.300 -10.305) 11.638 5.391 ( -5.731 2.704 2.370) 6.766 5.491 ( -1.004 4.723 3.710) 6.089 5.655 ( 1.662 6.971 -3.081) 7.801 5.772 ( -3.012 9.503 3.861) 10.691 5.997 ( -0.146 1.032 3.767) 3.909 6.150 ( 4.312 -0.987 8.874) 9.915 6.547 ( 6.057 -14.955 10.026) 18.996 6.699 ( 15.013 -26.382 5.008) 30.765 7.810 ( 4.093 -5.349 -0.283) 6.741 8.125 ( 4.988 -9.362 -1.396) 10.700 8.188 ( 3.914 -2.126 -3.463) 5.642 8.300 ( 4.892 -6.413 1.982) 8.306 8.332 ( 2.229 -7.184 -1.346) 7.642 8.403 ( 3.732 -5.621 2.132) 7.076 9.279 ( -1.275 2.310 -1.672) 3.124 9.414 ( -0.796 3.165 -1.414) 3.556 9.491 ( -2.831 2.882 -4.952) 6.391 9.674 ( -7.466 9.672 -12.446) 17.442 9.830 ( -2.947 3.172 14.262) 14.905 10.230 ( -1.400 4.540 -1.146) 4.887 10.261 ( -1.705 3.570 4.192) 5.764 10.493 ( -1.831 9.520 -1.462) 9.804 10.511 ( -5.000 4.307 -0.763) 6.644 10.652 ( -2.775 3.982 3.167) 5.796 12.146 ( -1.593 4.045 -0.694) 4.403 12.227 ( -3.986 2.700 1.189) 4.959 12.580 ( -5.688 12.677 3.607) 14.355 12.899 ( -3.169 4.245 -9.227) 10.639 13.101 ( 2.972 -6.133 0.178) 6.817 13.107 ( 2.142 -2.888 -1.715) 3.983 13.659 ( 2.012 2.290 -0.110) 3.050 13.880 ( 0.460 -2.777 -5.394) 6.084 14.082 ( 2.361 -4.405 4.150) 6.496 14.241 ( 1.634 -5.064 0.406) 5.336 15.327 ( 3.152 -4.677 -0.165) 5.642 15.357 ( 2.181 -4.558 -0.129) 5.054 15.747 ( 0.199 -0.649 6.308) 6.344 15.941 ( -0.641 1.960 -1.606) 2.614 16.526 ( -1.572 2.843 0.442) 3.279 16.559 ( -2.062 3.724 -1.279) 4.444 20.385 ( 2.475 0.810 -0.140) 2.608 20.433 ( -3.140 1.336 1.519) 3.735 20.540 ( -2.813 1.799 -0.843) 3.444 20.771 ( -1.465 2.791 -8.362) 8.936 26.664 ( 0.110 -0.169 0.157) 0.255 26.670 ( -0.035 0.097 -0.096) 0.141 26.790 ( 4.580 -0.429 -0.295) 4.610 26.827 ( -0.929 -2.507 -0.177) 2.680 26.850 ( -4.038 -0.496 -0.348) 4.083 27.136 ( 0.022 0.165 -9.232) 9.234 28.322 ( -0.398 -0.635 -0.431) 0.864 28.441 ( -2.520 2.164 -0.604) 3.376 28.455 ( 0.240 0.943 0.820) 1.272 28.682 ( -4.918 7.879 1.564) 9.419 28.726 ( -1.782 8.310 2.035) 8.739 28.987 ( -5.777 10.414 -13.442) 17.959 31.061 ( -2.841 0.971 0.509) 3.045 31.094 ( -1.509 2.098 -5.983) 6.517 31.193 ( 3.233 3.045 -0.294) 4.451 31.360 ( -5.074 4.409 4.393) 8.030 32.230 ( 16.900 -27.636 36.560) 48.847 32.963 ( 12.589 -21.526 -8.495) 26.344 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.316 3.010 33.303) 33.440 1.459 ( -3.298 7.430 31.965) 32.983 2.173 ( 0.127 -0.114 -23.582) 23.583 2.259 ( -0.159 4.246 -22.273) 22.675 2.542 ( -8.589 16.454 50.064) 53.394 3.301 ( 8.137 -6.622 -1.078) 10.546 3.379 ( -0.935 -1.567 -2.917) 3.440 3.425 ( 2.810 -2.325 0.959) 3.771 3.519 ( 0.447 -1.101 -3.133) 3.351 3.646 ( 5.960 -8.579 -0.799) 10.476 3.721 ( -4.772 -6.955 -1.134) 8.511 3.748 ( 1.376 -4.845 -0.261) 5.043 3.786 ( 4.300 -1.549 3.580) 5.806 3.882 ( 0.164 -1.029 -6.569) 6.651 3.914 ( 1.292 -1.396 0.378) 1.939 3.948 ( -3.701 -1.257 -0.295) 3.920 4.020 ( -6.270 -2.743 -0.554) 6.866 4.155 ( -0.790 3.121 -18.276) 18.558 4.195 ( -0.588 5.170 -15.772) 16.608 4.220 ( -2.318 2.359 -0.814) 3.406 4.658 ( 2.295 -1.557 -5.055) 5.766 4.725 ( -2.697 3.274 -1.618) 4.540 4.790 ( 0.534 2.365 -0.803) 2.554 4.920 ( -4.322 -0.525 -6.782) 8.060 4.996 ( -2.104 -1.789 1.266) 3.038 5.112 ( -1.438 2.302 4.743) 5.465 5.132 ( -1.576 3.000 -2.761) 4.371 5.207 ( 1.270 2.514 -5.667) 6.328 5.336 ( -5.386 1.716 3.572) 6.687 5.399 ( 0.635 8.046 -1.536) 8.216 5.517 ( -2.677 6.846 7.310) 10.367 5.672 ( 5.432 1.867 -3.541) 6.748 5.984 ( -1.390 1.505 6.764) 7.068 6.120 ( -1.201 4.029 0.549) 4.240 7.093 ( 10.417 -22.216 24.357) 34.573 7.472 ( 21.385 -35.928 -2.051) 41.861 7.921 ( 1.628 -3.083 2.207) 4.127 8.185 ( 1.851 -0.860 -10.609) 10.803 8.356 ( 3.337 -4.328 2.566) 6.038 8.397 ( 2.880 -4.624 0.172) 5.451 8.537 ( 5.228 -6.848 -0.275) 8.620 8.542 ( 3.159 -4.408 1.235) 5.562 9.219 ( -2.978 2.254 0.140) 3.737 9.320 ( -1.280 3.482 -6.599) 7.570 9.406 ( -2.327 1.214 -2.514) 3.635 9.428 ( -3.479 4.785 -4.762) 7.595 9.822 ( -1.704 1.054 13.075) 13.227 10.106 ( -3.466 4.222 -4.194) 6.886 10.218 ( 0.578 3.860 7.444) 8.405 10.300 ( -2.000 9.507 3.294) 10.258 10.395 ( -2.353 3.603 -3.428) 5.501 10.522 ( -6.487 5.705 -3.193) 9.210 12.066 ( -0.401 3.190 -0.760) 3.303 12.156 ( -7.069 0.320 0.517) 7.095 12.279 ( -3.147 14.612 1.984) 15.078 12.506 ( -13.069 20.945 -10.035) 26.650 13.222 ( 2.675 -4.613 0.060) 5.333 13.229 ( 2.265 -4.423 -0.045) 4.970 13.662 ( 3.180 0.940 1.463) 3.624 13.883 ( -1.520 -1.267 -8.680) 8.902 14.193 ( 2.492 -2.778 6.831) 7.784 14.339 ( 0.583 -4.053 -0.680) 4.151 15.453 ( 2.782 -4.383 -0.327) 5.201 15.455 ( 1.659 -3.710 0.071) 4.065 15.819 ( 2.789 -3.212 3.885) 5.761 15.897 ( -1.004 1.252 -0.309) 1.634 16.484 ( -0.493 0.769 0.227) 0.941 16.491 ( -0.580 1.420 -0.540) 1.626 20.365 ( -0.717 1.724 -0.990) 2.113 20.391 ( -0.724 2.235 -0.667) 2.442 20.486 ( -1.968 1.213 0.285) 2.329 20.603 ( -4.775 7.359 -4.775) 9.988 26.667 ( -0.004 -0.055 0.035) 0.065 26.668 ( -0.032 0.048 -0.065) 0.087 26.794 ( -4.083 -0.217 -1.016) 4.213 26.812 ( 0.589 -0.093 -2.357) 2.432 26.910 ( 4.192 -1.957 2.282) 5.159 27.078 ( -2.299 1.544 -4.790) 5.533 28.317 ( 0.317 0.607 -0.787) 1.044 28.380 ( -4.803 -0.465 -0.313) 4.836 28.458 ( 1.529 1.259 0.772) 2.125 28.512 ( -2.672 6.438 0.141) 6.972 28.562 ( -0.087 8.408 0.193) 8.411 28.669 ( -8.330 10.558 -3.179) 13.819 31.026 ( -1.473 0.460 0.476) 1.615 31.050 ( -0.766 0.251 -2.274) 2.412 31.177 ( 3.633 2.465 0.083) 4.391 31.262 ( -4.480 2.127 0.897) 5.040 33.108 ( 19.374 -31.399 19.540) 41.750 33.389 ( 8.874 -15.689 -4.106) 18.486 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.821 0.000 27.985) 27.997 1.805 ( 5.506 0.000 21.313) 22.013 1.917 ( 5.722 0.000 -24.180) 24.847 1.920 ( -2.090 -0.000 -27.902) 27.980 3.207 ( -6.576 -0.000 -10.796) 12.641 3.264 ( 6.362 0.000 34.499) 35.081 3.390 ( 4.508 0.000 -28.379) 28.734 3.402 ( -2.709 -0.000 -0.995) 2.885 3.432 ( 2.000 0.000 8.352) 8.588 3.502 ( -2.150 -0.000 1.957) 2.907 3.714 ( -2.252 -0.000 2.141) 3.107 3.748 ( 0.244 0.000 -4.699) 4.705 3.786 ( -1.838 -0.000 -0.250) 1.855 3.843 ( -0.176 -0.000 1.609) 1.619 3.927 ( -1.063 -0.000 -1.693) 1.999 3.957 ( 4.922 0.000 0.083) 4.923 3.977 ( -4.044 -0.000 -1.862) 4.452 4.071 ( 1.299 0.000 0.719) 1.485 4.114 ( -2.169 -0.000 2.267) 3.138 4.200 ( 2.876 0.000 3.850) 4.806 4.587 ( 0.823 0.000 1.873) 2.045 4.754 ( 5.031 0.000 -3.265) 5.998 4.818 ( -4.296 -0.000 -1.212) 4.463 4.876 ( 3.765 0.000 1.793) 4.170 4.982 ( 3.237 0.000 2.543) 4.116 5.005 ( -7.534 -0.000 8.519) 11.373 5.105 ( 2.765 0.000 -5.123) 5.822 5.229 ( 4.712 0.000 4.781) 6.713 5.334 ( 6.553 0.000 -9.113) 11.224 5.473 ( -5.151 -0.000 8.138) 9.632 5.491 ( 9.589 0.000 -5.040) 10.833 5.712 ( 3.026 0.000 -10.849) 11.263 6.074 ( 2.761 0.000 -0.959) 2.923 6.076 ( 4.311 0.000 1.345) 4.516 7.297 ( -32.141 -0.000 18.261) 36.966 7.427 ( -33.285 -0.000 -13.520) 35.926 7.993 ( -5.006 -0.000 6.076) 7.872 8.012 ( -3.532 -0.000 -6.951) 7.797 8.339 ( -7.693 -0.000 0.349) 7.701 8.434 ( -2.052 -0.000 -0.762) 2.189 8.516 ( -8.072 -0.000 0.559) 8.091 8.559 ( -6.058 -0.000 -1.820) 6.325 9.232 ( 5.207 0.000 4.052) 6.598 9.250 ( 3.084 0.000 -3.953) 5.014 9.382 ( 3.336 0.000 1.619) 3.709 9.421 ( 2.562 0.000 -0.861) 2.703 10.002 ( 3.265 0.000 9.768) 10.299 10.055 ( 5.011 0.000 -10.027) 11.210 10.260 ( 2.991 0.000 -0.637) 3.058 10.314 ( 6.052 0.000 -1.446) 6.222 10.371 ( 6.356 0.000 -2.472) 6.820 10.472 ( 11.063 0.000 5.589) 12.395 12.122 ( 6.225 0.000 -1.757) 6.468 12.137 ( 3.768 0.000 0.794) 3.850 12.308 ( 15.472 0.000 -3.879) 15.951 12.393 ( 19.378 0.000 4.592) 19.915 13.223 ( -5.288 -0.000 0.114) 5.289 13.231 ( -4.989 -0.000 0.004) 4.989 13.692 ( -3.144 -0.000 -7.594) 8.219 13.787 ( 1.485 0.000 5.884) 6.069 14.273 ( -4.499 -0.000 -4.139) 6.114 14.313 ( -2.756 -0.000 5.162) 5.852 15.440 ( -4.924 -0.000 0.532) 4.952 15.469 ( -3.507 -0.000 -0.475) 3.539 15.848 ( -1.605 -0.000 -1.318) 2.077 15.875 ( -1.527 -0.000 2.033) 2.542 16.479 ( 0.779 0.000 0.359) 0.858 16.488 ( 0.861 0.000 -0.257) 0.898 20.335 ( 1.699 0.000 0.344) 1.733 20.400 ( 3.524 0.000 -0.419) 3.549 20.506 ( 3.117 0.000 1.168) 3.329 20.575 ( 5.656 0.000 -1.461) 5.842 26.666 ( -0.031 -0.000 0.097) 0.102 26.669 ( 0.070 0.000 -0.054) 0.088 26.780 ( 0.244 0.000 -0.104) 0.265 26.793 ( -0.929 -0.000 1.286) 1.586 26.916 ( -3.792 -0.000 -2.067) 4.319 27.083 ( 4.127 0.000 1.368) 4.348 28.317 ( 1.937 0.000 -0.181) 1.946 28.444 ( 0.030 0.000 -0.214) 0.216 28.451 ( 2.237 0.000 0.429) 2.278 28.461 ( 1.246 0.000 1.299) 1.800 28.521 ( 11.929 0.000 -2.263) 12.142 28.667 ( 8.955 0.000 0.574) 8.973 31.038 ( 0.948 0.000 -0.753) 1.211 31.045 ( 1.760 0.000 1.254) 2.161 31.130 ( -2.668 -0.000 -1.258) 2.949 31.297 ( 5.874 0.000 0.587) 5.904 33.296 ( -25.231 -0.000 8.804) 26.723 33.300 ( -24.044 -0.000 -8.250) 25.420 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.910 -0.809 -23.766) 23.797 1.912 ( 3.922 -7.967 -24.049) 25.636 1.963 ( 10.131 -2.999 22.260) 24.640 2.079 ( 8.524 -6.752 16.387) 19.667 3.043 ( -15.742 7.596 0.918) 17.503 3.154 ( 0.559 5.778 -12.545) 13.823 3.298 ( -3.685 2.526 3.093) 5.434 3.473 ( -3.309 0.618 0.820) 3.465 3.488 ( 2.824 -4.033 -11.833) 12.816 3.561 ( 1.766 9.563 -1.454) 9.833 3.656 ( -3.650 3.753 4.708) 7.041 3.725 ( 2.357 -0.129 -0.317) 2.382 3.757 ( 1.592 -1.837 5.184) 5.726 3.827 ( 0.997 4.162 -0.272) 4.288 3.837 ( -1.458 -2.555 3.801) 4.806 4.004 ( -4.069 -4.554 -1.490) 6.286 4.056 ( -0.668 -0.078 1.470) 1.617 4.066 ( 1.296 1.767 2.616) 3.413 4.139 ( 6.095 -1.976 5.564) 8.486 4.253 ( 3.094 -1.934 2.307) 4.316 4.644 ( 4.523 1.278 2.452) 5.301 4.725 ( -3.686 0.914 4.782) 6.106 4.804 ( 4.544 -1.003 -2.878) 5.471 4.920 ( -1.494 -1.167 4.195) 4.603 5.030 ( 2.305 -3.708 6.842) 8.116 5.086 ( 0.820 -2.042 -3.614) 4.231 5.119 ( 6.495 -2.275 4.546) 8.248 5.333 ( 3.153 3.916 -7.232) 8.808 5.386 ( 2.477 -7.321 5.041) 9.227 5.465 ( -1.331 -3.531 1.815) 4.188 5.543 ( 5.385 -0.403 -5.744) 7.884 5.767 ( 3.925 -5.971 -9.667) 12.022 6.038 ( 1.669 3.269 0.620) 3.722 6.191 ( 2.527 -4.179 -3.301) 5.895 6.841 ( -28.776 16.921 -0.309) 33.383 6.886 ( -25.475 15.801 -0.409) 29.980 7.890 ( -5.323 5.008 -0.802) 7.352 8.001 ( -5.599 -3.291 3.087) 7.191 8.234 ( -8.107 4.687 -1.295) 9.454 8.338 ( -4.366 3.979 1.241) 6.036 8.366 ( -9.997 6.021 0.547) 11.683 8.461 ( -6.692 2.484 -2.622) 7.605 9.274 ( 2.761 0.516 0.319) 2.827 9.333 ( 5.704 -3.085 3.105) 7.190 9.471 ( 4.769 -2.644 -0.425) 5.469 9.493 ( 6.536 -4.309 2.563) 8.238 10.043 ( 4.225 -0.772 -5.749) 7.176 10.112 ( 2.980 -2.810 2.579) 4.840 10.338 ( 3.668 -3.674 -1.501) 5.405 10.386 ( 6.561 -2.001 -3.029) 7.498 10.476 ( 7.073 -3.778 1.571) 8.171 10.640 ( 7.644 -4.104 1.822) 8.866 12.131 ( 5.810 -0.039 0.544) 5.836 12.253 ( 3.424 -2.814 -0.735) 4.493 12.536 ( 13.334 -9.288 -6.400) 17.465 12.703 ( 13.281 -7.803 7.624) 17.187 13.122 ( -6.695 3.887 0.095) 7.742 13.139 ( -6.357 3.403 -0.009) 7.211 13.648 ( -1.807 -1.150 -5.594) 5.991 13.817 ( 0.123 0.310 5.125) 5.136 14.176 ( -4.757 3.632 -2.846) 6.627 14.267 ( -4.156 2.613 2.783) 5.643 15.356 ( -5.231 2.939 -0.097) 6.001 15.398 ( -3.928 2.948 -0.407) 4.929 15.803 ( -1.637 1.667 -0.632) 2.421 15.899 ( 0.169 -2.214 0.879) 2.388 16.512 ( 2.580 -1.554 0.418) 3.041 16.519 ( 2.738 -1.923 0.008) 3.346 20.356 ( 1.717 0.121 0.937) 1.960 20.461 ( 2.414 -2.633 -1.382) 3.830 20.544 ( 3.791 0.388 2.074) 4.339 20.655 ( 3.363 -3.303 -0.167) 4.716 26.666 ( -0.010 0.009 0.143) 0.144 26.669 ( 0.078 0.029 -0.050) 0.097 26.763 ( -0.797 1.318 0.580) 1.646 26.797 ( -2.067 -1.093 2.787) 3.638 26.876 ( -1.266 0.825 -1.574) 2.182 27.113 ( 3.685 1.227 0.637) 3.936 28.359 ( 3.585 -1.144 -0.838) 3.855 28.431 ( 2.003 1.648 1.345) 2.921 28.498 ( 0.734 -4.500 1.585) 4.827 28.544 ( 5.141 -1.752 -1.279) 5.580 28.674 ( 7.641 -7.290 -1.633) 10.686 28.824 ( 8.680 -5.123 1.678) 10.218 31.017 ( 0.396 1.713 2.359) 2.942 31.080 ( -0.493 -1.051 -1.787) 2.131 31.144 ( 1.875 -3.033 -0.124) 3.568 31.386 ( 6.874 -2.646 -0.216) 7.369 32.825 ( -27.161 15.132 -18.837) 36.353 32.930 ( -25.103 14.527 14.345) 32.357 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 10.341 -14.385 -9.136) 19.933 2.048 ( 8.461 -10.555 -19.498) 23.731 2.252 ( 11.296 -7.339 12.884) 18.640 2.367 ( 9.624 -8.445 13.459) 18.577 2.738 ( -14.714 7.855 1.891) 16.786 3.006 ( -3.927 6.108 -3.096) 7.894 3.188 ( -4.112 7.663 5.383) 10.228 3.263 ( -4.122 12.714 -4.828) 14.211 3.425 ( -2.756 2.783 -1.011) 4.045 3.522 ( 1.041 3.892 -9.282) 10.119 3.538 ( -2.904 4.110 -0.871) 5.107 3.669 ( -1.540 4.384 -0.902) 4.733 3.763 ( 1.815 3.586 2.035) 4.505 3.896 ( -2.911 -8.518 1.901) 9.200 3.917 ( 2.130 -4.048 -3.657) 5.856 3.997 ( -3.625 2.061 1.228) 4.347 4.038 ( 1.023 0.458 0.028) 1.121 4.082 ( 1.849 -5.484 -4.314) 7.218 4.269 ( 1.413 -1.929 7.093) 7.485 4.369 ( 6.121 -2.859 6.102) 9.103 4.605 ( 4.251 4.267 -0.142) 6.025 4.794 ( 0.455 -3.372 -2.605) 4.285 4.844 ( 0.166 0.958 4.738) 4.837 4.946 ( 0.847 -1.476 3.729) 4.100 5.050 ( -0.637 0.805 -2.227) 2.452 5.111 ( -0.277 4.039 -2.216) 4.615 5.249 ( 5.010 1.339 4.031) 6.568 5.312 ( 6.009 -6.681 6.070) 10.844 5.518 ( 1.936 -1.304 2.006) 3.078 5.558 ( -0.700 -5.022 1.308) 5.236 5.622 ( 4.748 -6.260 -4.252) 8.934 5.865 ( -1.515 -3.997 -4.595) 6.276 5.986 ( -1.794 4.179 2.621) 5.249 6.116 ( -13.093 3.842 -12.387) 18.429 6.369 ( -12.544 9.122 1.935) 15.630 6.522 ( -1.108 6.795 1.416) 7.029 7.746 ( -2.650 5.734 -0.477) 6.335 8.013 ( -5.170 -1.168 2.629) 5.916 8.039 ( -5.135 6.057 0.126) 7.942 8.149 ( -8.760 6.760 0.831) 11.096 8.238 ( -6.131 2.151 0.632) 6.528 8.337 ( -6.412 1.885 -3.762) 7.670 9.306 ( 3.229 -0.324 1.777) 3.700 9.446 ( 4.892 -1.600 2.302) 5.638 9.547 ( 2.696 -2.604 -3.400) 5.061 9.679 ( 6.230 -5.007 10.634) 13.303 10.080 ( 2.999 -2.838 -13.057) 13.694 10.204 ( 1.553 -2.437 7.776) 8.296 10.420 ( 5.700 -1.818 -8.367) 10.286 10.489 ( 3.904 -3.178 4.592) 6.814 10.629 ( 6.916 -3.907 2.332) 8.279 10.752 ( 2.590 -3.121 -3.803) 5.560 12.220 ( 6.493 -1.890 0.565) 6.786 12.341 ( 5.788 -2.260 -0.706) 6.253 12.740 ( 3.476 -5.646 -4.633) 8.089 12.865 ( 0.450 2.594 4.286) 5.030 13.008 ( -5.858 -0.340 1.481) 6.051 13.011 ( -5.916 2.340 -0.289) 6.369 13.658 ( 0.369 -2.897 -3.273) 4.386 13.815 ( -1.057 1.108 2.906) 3.285 14.042 ( -4.136 5.246 -0.639) 6.711 14.181 ( -3.964 2.777 0.622) 4.880 15.267 ( -2.317 2.223 -0.078) 3.212 15.309 ( -2.116 2.877 -0.673) 3.634 15.766 ( -1.432 0.890 1.222) 2.082 15.947 ( 0.983 -2.223 -0.766) 2.548 16.580 ( 3.139 -2.520 -0.282) 4.035 16.602 ( 3.354 -3.042 0.835) 4.604 20.365 ( 0.991 0.863 1.167) 1.758 20.505 ( 1.031 -1.159 -2.131) 2.636 20.591 ( 3.286 -0.890 1.240) 3.623 20.724 ( 0.088 -1.703 1.761) 2.451 26.666 ( -0.010 0.086 -0.144) 0.168 26.669 ( 0.070 0.050 0.240) 0.255 26.735 ( -0.447 1.045 0.592) 1.282 26.795 ( -3.636 -0.909 0.546) 3.787 26.859 ( 0.438 0.923 3.137) 3.299 27.128 ( 2.834 0.743 -1.083) 3.124 28.389 ( 5.339 2.807 -0.637) 6.065 28.444 ( 1.597 -0.280 0.945) 1.877 28.573 ( 7.842 0.904 -0.805) 7.935 28.666 ( -1.486 -9.028 1.148) 9.221 28.878 ( 3.220 -9.804 -2.260) 10.564 28.975 ( 3.928 -2.490 4.087) 6.191 31.023 ( 0.052 -0.515 5.937) 5.960 31.079 ( -2.349 -1.528 -0.704) 2.890 31.233 ( 6.398 -1.524 -0.337) 6.586 31.524 ( 6.212 -5.852 -3.381) 9.179 32.198 ( -19.608 15.791 -24.546) 35.161 32.472 ( -20.301 17.192 15.974) 31.029 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 10.556 -11.968 -0.136) 15.958 2.266 ( 9.822 -9.456 -13.378) 19.101 2.411 ( -3.104 5.724 4.405) 7.862 2.609 ( 1.974 -7.740 5.993) 9.986 2.668 ( 8.467 -7.099 7.551) 13.383 2.864 ( -3.413 2.774 1.629) 4.690 2.976 ( -2.268 9.839 -4.934) 11.238 3.027 ( -6.100 9.660 4.864) 12.417 3.316 ( 0.055 6.044 -9.145) 10.962 3.391 ( -3.005 3.675 -2.062) 5.176 3.465 ( -1.930 0.124 -0.191) 1.943 3.577 ( -1.425 3.323 -2.212) 4.238 3.726 ( 0.231 2.863 2.790) 4.004 3.919 ( -4.189 2.274 4.488) 6.547 3.949 ( -1.853 -1.477 -5.734) 6.204 4.029 ( -0.554 0.982 0.149) 1.137 4.044 ( -1.378 -8.000 6.490) 10.393 4.231 ( 0.152 -8.783 -7.479) 11.537 4.305 ( -2.106 -1.433 1.648) 3.034 4.444 ( 3.418 1.198 3.629) 5.127 4.609 ( 8.414 3.267 -0.737) 9.056 4.766 ( -0.868 2.485 -4.163) 4.926 4.824 ( 3.847 2.147 -0.321) 4.418 4.941 ( 3.796 4.908 -6.654) 9.098 4.953 ( -0.043 4.967 1.265) 5.126 5.166 ( 0.545 -6.306 7.970) 10.178 5.353 ( 3.920 -2.049 4.960) 6.646 5.443 ( -0.459 -0.571 -0.765) 1.059 5.511 ( 0.839 3.053 -0.237) 3.175 5.609 ( -4.644 -4.278 4.582) 7.802 5.751 ( -2.861 2.336 -2.820) 4.647 5.768 ( 0.534 -3.487 -2.936) 4.589 5.830 ( -8.603 1.940 -0.530) 8.835 6.052 ( -4.616 -4.301 -3.388) 7.162 6.244 ( 0.417 1.590 4.922) 5.189 6.503 ( 4.665 1.994 0.345) 5.085 7.657 ( 1.632 2.928 -0.863) 3.461 7.886 ( -0.735 4.700 0.869) 4.836 8.001 ( -4.359 2.125 1.561) 5.094 8.032 ( -5.709 -3.758 0.706) 6.871 8.167 ( -3.412 -0.194 0.453) 3.447 8.245 ( -7.360 -1.199 -4.092) 8.506 9.355 ( 3.033 -0.259 1.875) 3.575 9.501 ( 3.560 0.588 0.219) 3.615 9.587 ( 1.240 -0.751 -2.236) 2.665 9.843 ( 3.514 -1.828 13.437) 14.008 10.070 ( -0.595 -0.521 -14.889) 14.910 10.287 ( 0.848 -1.450 9.461) 9.609 10.436 ( 4.632 1.483 -11.156) 12.171 10.602 ( 2.681 -2.637 7.300) 8.212 10.732 ( 2.890 0.542 0.084) 2.942 10.787 ( 1.169 -2.087 -4.371) 4.982 12.307 ( 6.677 0.573 0.111) 6.703 12.422 ( 5.948 0.830 -0.208) 6.009 12.768 ( -1.661 0.541 -1.353) 2.209 12.773 ( -2.218 2.779 0.841) 3.654 12.957 ( -5.290 -2.048 0.223) 5.678 13.002 ( -6.194 -3.808 0.443) 7.284 13.721 ( 1.952 -3.491 -1.523) 4.280 13.793 ( -1.170 0.332 0.857) 1.488 13.922 ( -2.353 4.080 0.352) 4.723 14.110 ( -3.280 0.844 -0.276) 3.398 15.231 ( -0.109 0.710 0.007) 0.718 15.259 ( -0.385 1.066 -0.896) 1.445 15.750 ( -1.232 0.588 3.900) 4.132 15.981 ( 0.751 -1.254 -2.400) 2.810 16.641 ( 2.041 -0.892 -0.043) 2.228 16.674 ( 1.843 -1.277 0.334) 2.267 20.363 ( 1.186 0.833 1.554) 2.125 20.510 ( -0.175 0.176 -1.534) 1.554 20.639 ( 1.873 -0.514 0.048) 1.943 20.738 ( -0.896 -0.629 0.565) 1.232 26.662 ( 0.146 0.294 0.023) 0.329 26.671 ( -0.027 -0.113 0.173) 0.208 26.731 ( 1.354 -0.347 -1.264) 1.884 26.773 ( -2.208 -0.030 1.291) 2.558 26.859 ( -2.277 0.127 4.279) 4.849 27.134 ( 1.582 0.068 -3.830) 4.145 28.379 ( 5.331 3.873 -0.558) 6.612 28.472 ( 3.352 0.526 1.336) 3.646 28.608 ( 4.536 2.414 -1.282) 5.296 28.803 ( -0.356 -6.471 1.908) 6.756 29.007 ( -2.354 1.924 5.286) 6.098 29.047 ( 0.729 -8.409 -5.336) 9.985 31.052 ( -4.000 -2.271 -0.539) 4.631 31.132 ( 1.612 -4.083 13.399) 14.100 31.307 ( 8.499 1.778 -0.104) 8.684 31.538 ( -6.088 6.711 -17.035) 19.294 31.894 ( 0.779 -7.504 -11.087) 13.410 32.072 ( -14.577 13.842 13.040) 23.961 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -3.128 15.219 8.614) 17.766 2.262 ( 1.092 12.838 -2.945) 13.217 2.467 ( 1.542 1.786 -2.622) 3.527 2.665 ( -1.582 -5.828 -9.228) 11.028 2.696 ( -4.311 6.638 -10.698) 13.308 2.861 ( -2.188 0.595 1.443) 2.688 2.923 ( 5.132 -7.830 3.734) 10.079 3.095 ( 4.368 -12.534 7.938) 15.466 3.225 ( 6.771 1.372 -8.616) 11.044 3.382 ( -0.825 -5.180 -0.368) 5.258 3.451 ( 1.152 2.510 -0.672) 2.842 3.549 ( -0.794 -3.152 2.205) 3.928 3.700 ( -0.766 0.987 2.969) 3.221 3.878 ( 0.094 2.543 4.514) 5.182 3.909 ( -6.996 -2.650 -3.403) 8.219 4.002 ( -3.060 -0.174 -1.078) 3.249 4.169 ( -2.505 3.715 3.031) 5.410 4.182 ( -4.295 -2.719 5.164) 7.246 4.379 ( 3.043 0.832 0.794) 3.253 4.437 ( 1.199 1.895 2.492) 3.352 4.641 ( 6.245 2.775 -0.719) 6.872 4.746 ( 1.479 -1.073 -4.599) 4.949 4.793 ( 2.616 4.487 3.233) 6.118 4.920 ( 8.973 -1.905 -2.468) 9.499 4.971 ( 6.350 -1.513 -3.991) 7.651 5.199 ( -6.235 1.047 -5.127) 8.140 5.289 ( -5.915 6.251 -7.922) 11.697 5.459 ( -2.827 -4.677 3.751) 6.629 5.471 ( -1.071 2.545 2.713) 3.871 5.634 ( -4.007 2.294 3.639) 5.879 5.724 ( -2.085 -2.614 2.508) 4.180 5.766 ( 1.112 -5.275 -0.652) 5.430 5.904 ( 3.322 -5.962 -1.023) 6.901 6.025 ( -7.153 -1.471 0.411) 7.314 6.270 ( 2.695 1.781 7.840) 8.479 6.505 ( 3.935 2.909 -0.303) 4.903 7.676 ( 5.441 -1.315 -1.281) 5.742 7.876 ( 1.827 -2.502 0.598) 3.155 8.017 ( 0.703 -5.105 2.504) 5.730 8.056 ( -3.232 -4.687 -1.411) 5.866 8.177 ( -1.810 -3.192 -3.397) 5.000 8.207 ( -6.816 -4.943 0.438) 8.431 9.375 ( 2.356 2.002 0.959) 3.237 9.508 ( 2.801 1.980 -0.972) 3.565 9.575 ( -0.646 1.593 -1.289) 2.148 9.900 ( -0.201 2.599 1.258) 2.895 9.973 ( -2.955 3.358 -2.130) 4.954 10.340 ( 0.822 0.658 8.609) 8.673 10.378 ( 1.726 3.490 -10.556) 11.251 10.663 ( -0.680 3.296 3.178) 4.629 10.682 ( 0.107 1.121 -2.474) 2.718 10.805 ( 1.988 2.731 1.569) 3.725 12.313 ( 4.219 4.946 -0.246) 6.506 12.394 ( 1.272 6.142 0.528) 6.295 12.771 ( 0.131 -1.499 1.318) 2.001 12.779 ( 2.023 -3.500 -1.033) 4.172 12.937 ( -5.462 -2.518 0.832) 6.072 13.029 ( -4.710 -5.029 -1.652) 7.085 13.750 ( -0.102 1.780 0.901) 1.998 13.806 ( 0.793 -1.596 -3.053) 3.535 13.901 ( 1.079 -3.327 1.885) 3.973 14.093 ( -2.357 -2.583 -0.575) 3.544 15.233 ( 0.790 -0.675 -0.556) 1.178 15.254 ( 0.280 -0.904 -0.793) 1.235 15.752 ( -0.709 0.471 6.515) 6.570 15.984 ( 0.123 0.118 -3.653) 3.657 16.640 ( 0.246 2.353 0.484) 2.414 16.677 ( -0.029 1.926 -0.519) 1.994 20.383 ( 2.279 -0.310 2.042) 3.076 20.484 ( -1.280 1.338 -0.890) 2.054 20.626 ( -0.572 2.266 -0.162) 2.343 20.755 ( -0.009 -1.855 -2.593) 3.189 26.661 ( 0.293 0.088 0.152) 0.341 26.672 ( -0.111 -0.030 0.001) 0.115 26.750 ( -0.580 -1.931 -4.338) 4.783 26.782 ( 2.797 -0.152 4.116) 4.979 26.837 ( -4.297 0.266 3.192) 5.359 27.123 ( 0.252 -0.175 -6.699) 6.706 28.364 ( 4.963 3.362 -0.672) 6.032 28.499 ( 2.519 1.083 1.341) 3.053 28.571 ( 2.576 4.619 -0.426) 5.306 28.884 ( 1.170 -0.881 2.006) 2.484 28.911 ( -7.522 5.228 5.255) 10.561 29.123 ( -0.680 -3.119 -10.096) 10.589 31.037 ( -4.692 -1.665 -0.502) 5.004 31.232 ( -3.833 3.881 -9.996) 11.388 31.339 ( 9.095 4.933 0.131) 10.348 31.392 ( 0.947 -6.851 15.723) 17.177 31.781 ( -8.600 6.898 13.032) 17.070 32.183 ( 5.896 -19.749 -10.974) 23.350 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.987 20.356 11.324) 23.378 1.921 ( -0.797 19.503 10.901) 22.357 2.276 ( -2.108 7.093 -15.219) 16.923 2.468 ( -5.630 6.733 -16.701) 18.866 2.821 ( 0.906 -7.247 3.259) 7.998 2.952 ( -1.040 -10.461 -2.520) 10.810 3.164 ( 6.966 -11.215 -0.436) 13.209 3.245 ( 1.776 -5.066 -0.279) 5.375 3.366 ( 6.250 -6.170 0.547) 8.799 3.421 ( -0.189 0.980 3.403) 3.547 3.515 ( -0.974 -7.606 0.136) 7.669 3.634 ( 1.435 -2.921 3.060) 4.467 3.708 ( 1.595 -1.011 3.464) 3.945 3.817 ( -4.490 2.741 2.371) 5.770 3.917 ( -2.486 -0.923 1.189) 2.906 3.949 ( -1.916 2.157 0.081) 2.886 4.023 ( -1.254 4.907 2.829) 5.801 4.230 ( -2.860 -1.475 1.981) 3.779 4.294 ( -2.509 4.696 1.482) 5.527 4.448 ( 1.560 5.422 -11.291) 12.622 4.593 ( 8.584 2.351 -4.911) 10.165 4.792 ( 0.243 -3.725 3.663) 5.230 4.844 ( 3.747 0.565 5.572) 6.739 5.023 ( -2.897 2.641 -5.407) 6.678 5.044 ( -3.780 0.793 -9.781) 10.516 5.057 ( 0.632 0.415 -5.228) 5.282 5.150 ( 6.061 -2.000 1.060) 6.470 5.392 ( -7.312 3.851 -1.546) 8.408 5.418 ( -0.676 4.736 1.733) 5.088 5.562 ( -3.010 2.688 1.943) 4.479 5.731 ( 0.479 2.240 0.180) 2.297 5.861 ( -5.117 5.335 -0.989) 7.459 5.986 ( 3.653 -10.114 6.811) 12.729 6.164 ( 1.080 -9.248 4.493) 10.338 6.339 ( 1.530 -8.802 7.187) 11.466 6.512 ( 3.806 -3.713 -0.368) 5.330 7.787 ( 6.797 -3.906 -0.147) 7.841 7.983 ( -1.375 -7.715 -2.422) 8.202 8.121 ( 1.198 -6.114 -2.321) 6.649 8.181 ( -2.615 -8.488 0.874) 8.924 8.215 ( 1.876 -7.204 0.159) 7.446 8.298 ( -1.170 -7.985 1.117) 8.147 9.339 ( 1.052 4.363 0.708) 4.544 9.472 ( 1.616 3.797 -5.274) 6.697 9.515 ( -1.846 3.475 1.584) 4.242 9.730 ( -3.579 8.002 -12.141) 14.975 9.934 ( -0.920 4.003 13.406) 14.021 10.268 ( 0.128 4.927 -10.525) 11.621 10.355 ( 0.961 2.539 8.324) 8.756 10.540 ( -4.316 5.116 -1.752) 6.919 10.654 ( 3.937 6.407 0.473) 7.535 10.734 ( -1.859 6.287 2.627) 7.063 12.239 ( 1.753 6.220 0.065) 6.463 12.279 ( -1.617 6.085 0.236) 6.301 12.745 ( -0.820 6.559 4.375) 7.927 12.883 ( 3.015 -2.807 -4.159) 5.854 12.992 ( -0.710 -7.155 0.266) 7.195 13.040 ( -3.763 -3.122 -3.036) 5.756 13.716 ( 0.712 1.977 1.265) 2.452 13.825 ( 0.253 -1.495 -4.425) 4.678 14.022 ( 1.839 -6.046 3.598) 7.272 14.145 ( -1.404 -5.629 -1.197) 5.923 15.274 ( 1.355 -3.318 -0.422) 3.609 15.293 ( 0.392 -3.557 -0.657) 3.638 15.772 ( -0.098 0.072 7.788) 7.789 15.953 ( -0.395 1.299 -4.082) 4.302 16.580 ( -0.508 4.092 0.756) 4.192 16.611 ( -0.784 4.198 -1.157) 4.424 20.417 ( -1.932 -0.175 2.913) 3.499 20.443 ( 2.629 1.951 -2.010) 3.842 20.574 ( 0.190 3.039 1.279) 3.302 20.749 ( -1.766 0.197 -6.344) 6.588 26.665 ( 0.223 -0.037 0.135) 0.263 26.671 ( -0.073 0.054 -0.094) 0.130 26.763 ( -1.387 -2.170 -1.723) 3.098 26.791 ( -4.601 -0.250 -0.019) 4.608 26.856 ( 5.697 -0.515 4.000) 6.980 27.093 ( -0.812 -0.228 -8.722) 8.763 28.358 ( 4.440 2.527 -0.764) 5.165 28.446 ( -4.275 2.997 -0.643) 5.260 28.557 ( 7.982 4.084 1.729) 9.131 28.736 ( -9.319 6.303 3.589) 11.809 28.863 ( 0.591 5.394 2.292) 5.891 29.046 ( -1.625 5.508 -11.671) 13.007 31.016 ( -4.224 -1.102 0.608) 4.408 31.098 ( -0.883 2.471 -8.397) 8.797 31.330 ( 7.610 5.913 0.139) 9.638 31.418 ( -6.285 5.630 5.958) 10.329 32.008 ( 4.296 -22.993 29.574) 37.706 32.588 ( 4.723 -24.974 -12.608) 28.372 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.262 12.883 23.234) 26.597 1.740 ( 2.372 11.926 23.801) 26.727 2.109 ( 1.228 3.230 -22.566) 22.829 2.235 ( -2.693 5.048 -22.662) 23.373 2.902 ( 0.976 3.801 21.618) 21.971 3.132 ( -2.209 -12.867 -7.469) 15.041 3.363 ( 5.127 0.159 12.577) 13.582 3.384 ( -0.327 -7.252 1.013) 7.330 3.434 ( -0.781 -4.570 -2.125) 5.100 3.524 ( -2.491 -6.606 1.021) 7.133 3.606 ( 1.158 -5.638 -0.303) 5.764 3.682 ( 0.237 -2.403 -2.817) 3.710 3.754 ( -3.684 -2.469 -0.182) 4.439 3.813 ( 4.929 -2.886 1.694) 5.958 3.876 ( -4.952 -1.155 2.848) 5.828 3.932 ( 1.545 0.116 -2.735) 3.143 3.996 ( 2.845 2.004 -0.647) 3.540 4.156 ( -2.630 7.721 -16.922) 18.786 4.210 ( -3.364 0.515 1.744) 3.824 4.271 ( 2.126 5.842 -8.070) 10.187 4.684 ( 8.008 -0.251 0.321) 8.019 4.762 ( -3.013 4.109 -2.903) 5.864 4.859 ( -3.226 1.303 -3.838) 5.180 4.885 ( -0.319 6.263 -3.101) 6.996 4.949 ( 1.056 -2.398 4.110) 4.875 5.105 ( -0.525 -2.215 -6.067) 6.480 5.192 ( -5.182 6.292 2.868) 8.641 5.267 ( 4.314 1.881 -0.964) 4.804 5.365 ( -0.047 3.321 5.058) 6.051 5.501 ( 0.507 2.783 -3.789) 4.729 5.644 ( -3.297 8.183 3.389) 9.451 5.726 ( 1.738 2.515 -2.800) 4.145 6.078 ( 1.156 3.929 7.970) 8.960 6.197 ( 0.775 4.623 -2.493) 5.310 6.736 ( -1.004 -28.263 14.712) 31.879 6.905 ( 0.280 -33.735 -0.931) 33.749 7.920 ( 4.224 -3.272 3.121) 6.188 8.044 ( -5.452 -6.447 -8.101) 11.701 8.256 ( -4.648 -8.009 2.692) 9.644 8.298 ( 4.235 -8.274 -1.840) 9.475 8.422 ( -0.627 -9.170 2.080) 9.424 8.450 ( 2.609 -8.796 -0.583) 9.193 9.256 ( -2.020 4.693 2.225) 5.572 9.368 ( 0.913 5.160 -8.312) 9.826 9.437 ( -0.750 4.546 1.966) 5.009 9.523 ( 0.303 8.391 -6.431) 10.576 9.920 ( 1.501 3.288 12.125) 12.652 10.135 ( -0.403 5.040 -9.018) 10.338 10.343 ( 2.560 4.138 6.581) 8.184 10.406 ( -2.758 5.177 -0.287) 5.873 10.548 ( 3.590 10.518 1.165) 11.175 10.581 ( -3.210 7.429 -1.527) 8.235 12.144 ( -2.166 5.019 1.510) 5.671 12.174 ( 2.003 4.752 -1.357) 5.332 12.574 ( 2.329 15.063 5.758) 16.293 12.735 ( -1.860 15.220 -10.958) 18.847 13.126 ( -0.363 -7.487 0.148) 7.498 13.130 ( 0.244 -7.396 -0.318) 7.407 13.715 ( 1.798 0.765 2.779) 3.397 13.816 ( -1.246 -0.592 -6.968) 7.103 14.158 ( 0.608 -5.693 5.552) 7.975 14.235 ( -1.176 -6.228 -1.999) 6.645 15.371 ( 0.337 -5.865 -0.016) 5.874 15.375 ( -0.096 -5.609 -0.363) 5.622 15.812 ( -0.139 -1.342 6.709) 6.843 15.907 ( -0.201 1.523 -3.205) 3.555 16.513 ( -0.108 3.010 0.565) 3.064 16.528 ( -0.022 3.612 -0.982) 3.744 20.372 ( -3.365 1.551 2.428) 4.430 20.439 ( 3.144 2.107 -3.616) 5.235 20.549 ( 3.009 3.096 3.654) 5.656 20.651 ( -2.852 4.675 -7.458) 9.252 26.667 ( 0.037 0.000 0.101) 0.107 26.669 ( 0.011 0.064 -0.115) 0.133 26.757 ( -3.559 -0.833 1.453) 3.933 26.783 ( -0.149 -1.386 -1.216) 1.850 26.942 ( 5.445 -1.007 2.790) 6.201 27.045 ( -2.057 0.205 -8.386) 8.637 28.355 ( -2.440 1.783 -0.477) 3.059 28.359 ( 3.137 2.019 -0.937) 3.846 28.550 ( -3.519 5.013 2.581) 6.647 28.573 ( 3.235 4.667 0.602) 5.711 28.739 ( 0.766 9.418 1.991) 9.656 28.824 ( -0.853 12.701 -7.836) 14.948 31.000 ( -2.890 -0.884 1.368) 3.318 31.053 ( 1.463 0.673 -3.796) 4.124 31.280 ( -4.651 4.365 1.575) 6.570 31.296 ( 5.650 5.612 -0.012) 7.964 32.681 ( 0.733 -34.039 25.596) 42.595 33.021 ( -0.398 -26.063 -10.848) 28.233 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 5.505 0.000 -28.010) 28.546 1.792 ( 8.711 0.000 -18.623) 20.560 2.130 ( 7.559 0.000 18.453) 19.941 2.181 ( 13.492 0.000 18.645) 23.015 2.965 ( -16.812 -0.000 1.138) 16.851 3.172 ( -8.730 -0.000 -5.635) 10.391 3.291 ( 8.409 0.000 -25.208) 26.573 3.305 ( -5.735 -0.000 2.430) 6.228 3.517 ( 1.750 0.000 -1.649) 2.405 3.661 ( -7.062 -0.000 3.428) 7.850 3.695 ( -2.250 -0.000 2.324) 3.234 3.711 ( -2.290 -0.000 -9.031) 9.316 3.739 ( -0.582 -0.000 1.084) 1.230 3.779 ( -1.950 -0.000 4.436) 4.845 3.890 ( -2.835 -0.000 1.075) 3.032 3.896 ( 0.940 0.000 3.164) 3.301 4.053 ( -1.325 -0.000 -0.798) 1.547 4.073 ( -3.341 -0.000 1.580) 3.695 4.275 ( 2.275 0.000 -0.212) 2.284 4.326 ( 17.947 0.000 19.577) 26.559 4.735 ( 6.740 0.000 7.448) 10.045 4.757 ( -3.969 -0.000 9.364) 10.170 4.832 ( 5.629 0.000 -2.127) 6.018 4.894 ( -2.581 -0.000 6.175) 6.692 5.059 ( 4.653 0.000 7.414) 8.753 5.110 ( 4.834 0.000 2.067) 5.258 5.163 ( 1.675 0.000 1.152) 2.033 5.304 ( -1.092 -0.000 1.402) 1.777 5.374 ( 2.883 0.000 -5.626) 6.322 5.436 ( 0.757 0.000 0.701) 1.032 5.553 ( 2.581 0.000 -9.450) 9.797 5.731 ( 8.860 0.000 -11.700) 14.676 6.107 ( -2.161 -0.000 -5.088) 5.528 6.157 ( 5.139 0.000 -0.595) 5.173 6.686 ( -26.027 -0.000 -9.016) 27.544 6.710 ( -30.377 -0.000 4.291) 30.678 7.872 ( -6.870 -0.000 -2.204) 7.215 7.895 ( -8.978 -0.000 5.552) 10.556 8.185 ( -5.423 -0.000 0.641) 5.461 8.323 ( -10.523 -0.000 0.913) 10.562 8.343 ( -7.775 -0.000 1.017) 7.841 8.410 ( -3.857 -0.000 -3.677) 5.329 9.309 ( 4.773 0.000 -1.809) 5.104 9.398 ( 6.100 0.000 8.137) 10.170 9.485 ( 4.086 0.000 -3.518) 5.392 9.544 ( 7.771 0.000 6.665) 10.238 10.049 ( 4.176 0.000 -12.905) 13.564 10.126 ( 1.767 0.000 8.828) 9.003 10.363 ( 6.494 0.000 0.625) 6.524 10.418 ( 8.568 0.000 -8.705) 12.214 10.516 ( 6.023 0.000 2.804) 6.644 10.703 ( 7.638 0.000 0.993) 7.703 12.220 ( 3.957 0.000 0.845) 4.046 12.223 ( 5.415 0.000 -1.046) 5.516 12.583 ( 13.217 0.000 -6.162) 14.583 12.809 ( 10.792 0.000 8.194) 13.550 13.089 ( -6.835 -0.000 0.504) 6.854 13.096 ( -7.449 -0.000 -0.020) 7.449 13.601 ( -0.667 -0.000 -4.706) 4.753 13.839 ( -1.118 -0.000 5.667) 5.776 14.147 ( -3.956 -0.000 -4.027) 5.645 14.245 ( -6.579 -0.000 2.645) 7.091 15.325 ( -5.146 -0.000 -0.191) 5.150 15.379 ( -4.227 -0.000 -0.460) 4.251 15.814 ( 0.622 0.000 -3.442) 3.498 15.867 ( -1.519 -0.000 2.938) 3.307 16.529 ( 3.358 0.000 -0.539) 3.401 16.536 ( 3.875 0.000 1.232) 4.066 20.389 ( 2.849 0.000 1.192) 3.088 20.461 ( 2.375 0.000 0.050) 2.375 20.612 ( 3.125 0.000 5.292) 6.146 20.639 ( 2.621 0.000 -3.199) 4.135 26.668 ( 0.047 0.000 0.203) 0.208 26.670 ( 0.051 0.000 -0.088) 0.102 26.747 ( -5.400 -0.000 2.105) 5.796 26.764 ( -0.349 -0.000 -3.047) 3.067 26.909 ( 2.080 0.000 6.104) 6.448 27.168 ( 3.885 0.000 0.039) 3.885 28.353 ( 1.068 0.000 0.168) 1.081 28.431 ( -0.813 -0.000 -0.050) 0.814 28.536 ( 4.188 0.000 2.175) 4.719 28.557 ( 7.007 0.000 1.161) 7.102 28.753 ( 12.434 0.000 -3.543) 12.929 28.858 ( 7.292 0.000 3.706) 8.180 31.026 ( -1.581 -0.000 -2.942) 3.340 31.102 ( 2.428 0.000 1.465) 2.836 31.102 ( 0.686 0.000 1.079) 1.279 31.455 ( 9.802 0.000 0.247) 9.805 32.560 ( -31.738 -0.000 -24.415) 40.043 32.829 ( -28.282 -0.000 13.387) 31.290 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 17.026 -8.570 -9.680) 21.378 1.897 ( 11.273 -7.098 -15.868) 20.718 2.314 ( 8.924 -3.781 13.740) 16.814 2.435 ( 13.941 -4.188 14.678) 20.672 2.711 ( -16.105 6.493 0.799) 17.382 3.055 ( -5.317 2.931 -4.728) 7.695 3.196 ( -5.898 0.991 -0.775) 6.030 3.322 ( -7.277 -0.339 -6.355) 9.667 3.475 ( 0.380 4.201 -6.317) 7.595 3.514 ( -4.652 5.472 -4.998) 8.750 3.577 ( -1.602 5.279 -4.243) 6.959 3.659 ( -5.344 -1.082 -3.542) 6.502 3.754 ( -2.117 -0.706 1.383) 2.626 3.833 ( -1.374 -1.747 -1.371) 2.612 3.901 ( 2.419 -1.763 4.498) 5.403 3.955 ( 0.581 -1.322 5.507) 5.693 4.029 ( -3.932 0.091 -1.885) 4.361 4.061 ( 4.100 -1.434 -1.644) 4.644 4.275 ( -0.194 1.083 0.024) 1.100 4.554 ( 15.314 1.931 11.897) 19.488 4.719 ( 0.459 3.808 9.313) 10.072 4.795 ( 3.313 2.226 4.547) 6.050 4.903 ( 2.008 1.137 6.127) 6.548 4.921 ( 1.240 -2.652 2.794) 4.047 5.055 ( -3.121 1.507 -0.536) 3.507 5.144 ( 0.219 -0.083 0.216) 0.318 5.257 ( -3.900 -4.829 5.836) 8.520 5.326 ( 8.137 -1.982 3.883) 9.232 5.429 ( 2.906 -3.668 -1.976) 5.080 5.507 ( 3.845 -4.793 -1.079) 6.238 5.573 ( -0.251 -4.040 -6.582) 7.727 5.780 ( 6.837 -0.642 -10.105) 12.218 5.996 ( -12.254 2.222 -6.997) 14.285 6.116 ( -1.163 9.296 -2.499) 9.696 6.349 ( -14.950 4.405 0.745) 15.603 6.524 ( -7.913 -1.791 -2.405) 8.463 7.777 ( -5.342 1.747 -0.184) 5.624 7.865 ( -8.912 -4.114 2.333) 10.089 8.115 ( -2.803 4.046 0.715) 4.973 8.169 ( -9.356 5.337 2.133) 10.980 8.232 ( -7.364 3.465 0.882) 8.186 8.318 ( -3.287 4.464 -3.689) 6.659 9.347 ( 3.822 0.183 0.313) 3.839 9.501 ( 6.329 -0.290 4.206) 7.605 9.522 ( 2.167 -2.130 -1.056) 3.217 9.704 ( 7.226 -4.735 10.936) 13.936 10.033 ( 3.209 0.049 -12.955) 13.346 10.203 ( 1.301 -2.487 7.847) 8.334 10.433 ( 7.691 -0.867 -6.777) 10.287 10.510 ( 6.270 -2.689 0.363) 6.832 10.616 ( 4.695 -4.157 0.670) 6.306 10.759 ( 4.221 0.443 -2.635) 4.996 12.264 ( 6.409 -1.341 0.485) 6.566 12.330 ( 4.628 -4.435 -0.880) 6.470 12.695 ( 6.219 -2.601 -4.253) 7.971 12.896 ( -2.766 -1.377 4.207) 5.220 12.990 ( -4.932 4.404 1.207) 6.721 13.001 ( -5.028 3.844 0.417) 6.343 13.606 ( 1.297 -2.089 -3.092) 3.950 13.833 ( -2.168 0.909 3.926) 4.576 14.071 ( -3.165 3.032 -2.164) 4.887 14.168 ( -6.425 1.556 0.913) 6.673 15.272 ( -2.379 1.141 0.241) 2.650 15.324 ( -2.482 1.682 -0.724) 3.085 15.786 ( 0.219 1.748 -0.211) 1.774 15.899 ( -0.585 -3.010 -0.161) 3.070 16.578 ( 3.889 -1.531 -0.475) 4.206 16.599 ( 3.786 -1.859 1.162) 4.375 20.410 ( 2.417 1.341 1.562) 3.175 20.490 ( 1.068 -0.902 -0.462) 1.472 20.629 ( 2.669 0.609 0.763) 2.842 20.691 ( -0.122 -2.322 1.631) 2.840 26.667 ( -0.065 0.113 -0.002) 0.130 26.671 ( 0.099 -0.046 -0.022) 0.111 26.705 ( -4.194 -0.550 0.217) 4.236 26.754 ( -0.970 -0.792 -2.565) 2.854 26.938 ( 1.871 2.773 9.361) 9.941 27.184 ( 3.366 2.188 -0.816) 4.096 28.399 ( 1.590 -3.341 -0.963) 3.823 28.495 ( -1.369 -7.658 1.155) 7.865 28.541 ( 5.684 3.738 2.884) 7.389 28.674 ( 7.291 -2.028 -1.882) 7.798 28.824 ( 7.577 1.034 0.421) 7.658 28.983 ( 4.051 -3.047 4.417) 6.724 30.998 ( -2.507 -0.658 -2.429) 3.553 31.082 ( 0.833 1.087 4.459) 4.665 31.209 ( 3.199 -5.581 -1.014) 6.512 31.564 ( 11.430 0.325 -0.889) 11.469 32.075 ( -24.338 7.747 -27.902) 37.827 32.524 ( -25.317 8.476 13.406) 29.875 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 13.247 -11.027 -9.791) 19.823 2.140 ( 16.369 -12.908 3.378) 21.118 2.456 ( -3.744 1.661 4.394) 6.007 2.560 ( 0.948 -3.623 7.833) 8.682 2.702 ( 11.560 -4.606 9.758) 15.813 2.923 ( -3.439 5.382 -1.087) 6.479 3.107 ( -8.658 3.577 2.770) 9.768 3.117 ( -4.518 9.809 -7.063) 12.904 3.332 ( -3.694 5.756 -1.502) 7.002 3.409 ( -5.218 -1.855 -6.561) 8.586 3.441 ( -1.670 6.784 -6.205) 9.345 3.607 ( -4.214 0.607 -1.373) 4.473 3.744 ( -3.368 -1.038 -2.036) 4.070 3.827 ( -2.369 0.472 2.233) 3.289 3.928 ( -3.485 -1.597 -3.267) 5.037 3.974 ( -1.642 0.877 -1.016) 2.120 4.059 ( 3.512 -5.601 -0.542) 6.633 4.128 ( 7.574 0.798 1.112) 7.697 4.251 ( -2.771 -0.817 1.306) 3.171 4.612 ( 5.269 6.722 5.295) 10.050 4.741 ( 5.889 2.329 1.088) 6.426 4.801 ( 3.527 2.215 2.818) 5.029 4.901 ( 4.816 0.556 0.158) 4.851 4.950 ( -1.748 -1.754 0.348) 2.501 5.052 ( 0.749 2.006 4.442) 4.932 5.140 ( 0.913 -1.607 3.923) 4.337 5.336 ( -1.441 -2.981 3.960) 5.162 5.460 ( -3.270 -2.467 2.090) 4.599 5.468 ( -1.263 1.338 -3.578) 4.023 5.566 ( 0.772 -2.251 -0.079) 2.381 5.638 ( 0.971 -4.796 -6.939) 8.491 5.747 ( -8.093 4.219 0.288) 9.131 5.817 ( 2.742 0.501 -7.415) 7.922 5.958 ( -5.318 1.111 0.196) 5.437 6.275 ( -0.256 -0.718 5.231) 5.286 6.534 ( 1.135 -2.236 -3.337) 4.175 7.717 ( 0.349 1.718 -0.908) 1.974 7.867 ( -8.116 -5.204 0.306) 9.646 7.993 ( -2.494 7.286 3.043) 8.280 8.017 ( -3.547 3.517 0.934) 5.081 8.114 ( -5.942 1.795 0.869) 6.267 8.186 ( -4.470 3.506 -4.479) 7.234 9.391 ( 3.170 -0.497 1.918) 3.739 9.539 ( 3.113 -0.321 -4.614) 5.575 9.596 ( 2.216 -0.366 5.981) 6.389 9.899 ( 4.715 -3.292 14.374) 15.481 10.001 ( 0.321 -0.147 -12.885) 12.889 10.289 ( 0.086 -2.572 9.057) 9.416 10.474 ( 7.046 0.985 -12.969) 14.792 10.616 ( 3.169 -2.583 5.389) 6.764 10.721 ( 0.542 -2.813 -5.282) 6.008 10.779 ( 4.560 -1.013 -0.026) 4.671 12.384 ( 8.999 -2.455 0.179) 9.330 12.468 ( 6.886 -4.559 -0.702) 8.288 12.736 ( -1.434 -0.106 -1.703) 2.229 12.851 ( -3.352 7.264 1.838) 8.208 12.862 ( -8.531 -1.798 0.273) 8.723 12.883 ( -5.648 1.729 0.244) 5.912 13.668 ( 2.864 -3.560 -2.279) 5.106 13.801 ( -2.487 1.135 2.112) 3.455 13.971 ( -2.133 4.141 -0.133) 4.660 14.082 ( -5.001 1.404 -0.667) 5.237 15.245 ( -0.351 0.823 0.666) 1.115 15.275 ( -0.443 1.606 -1.052) 1.970 15.770 ( -0.253 0.756 3.570) 3.658 15.940 ( -0.183 -2.518 -2.888) 3.836 16.644 ( 3.082 -1.598 -0.228) 3.479 16.670 ( 2.178 -1.803 0.576) 2.885 20.409 ( 1.794 1.724 1.822) 3.085 20.503 ( 0.029 -0.231 -1.007) 1.034 20.657 ( 2.024 -0.193 0.682) 2.144 20.713 ( -1.480 -0.969 0.423) 1.819 26.665 ( -0.054 -0.037 -0.223) 0.232 26.672 ( 0.074 0.057 -0.046) 0.104 26.688 ( -2.727 -1.441 -0.254) 3.094 26.751 ( -0.607 -1.170 -2.790) 3.086 26.925 ( 0.544 4.209 9.663) 10.554 27.161 ( 2.005 2.551 -2.873) 4.334 28.470 ( 3.075 -1.746 -0.839) 3.635 28.539 ( 4.781 3.933 2.424) 6.649 28.636 ( -1.196 -7.794 0.423) 7.896 28.769 ( 11.265 0.633 -1.230) 11.350 28.891 ( -0.747 -4.923 -0.395) 4.995 29.033 ( -1.919 1.137 5.360) 5.806 30.979 ( -3.301 -1.306 -1.123) 3.723 31.131 ( 0.869 -2.701 9.658) 10.066 31.333 ( 2.324 -4.947 -5.177) 7.528 31.564 ( -1.820 7.326 -15.228) 16.997 31.758 ( 1.916 -2.077 -10.138) 10.525 32.168 ( -20.097 10.753 11.822) 25.676 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.648 -1.287 2.151) 2.589 2.396 ( 5.100 -2.334 -3.481) 6.601 2.476 ( 6.692 -1.027 4.034) 7.881 2.627 ( -4.617 6.297 3.671) 8.628 2.814 ( 2.231 8.122 -7.609) 11.351 2.875 ( 4.278 -3.492 2.678) 6.137 2.891 ( -7.341 5.434 1.421) 9.243 2.987 ( 1.069 -2.253 3.565) 4.351 3.238 ( -0.990 -0.093 -4.756) 4.859 3.312 ( -1.780 0.961 -4.453) 4.891 3.450 ( 1.408 -5.933 -0.024) 6.098 3.560 ( 0.848 2.156 -0.070) 2.318 3.697 ( -7.297 -2.903 -2.204) 8.157 3.759 ( -2.541 3.565 -1.191) 4.537 3.902 ( -3.093 -0.751 -1.602) 3.564 3.952 ( -2.174 -1.333 0.071) 2.551 4.168 ( 3.088 -1.404 5.514) 6.474 4.201 ( 2.839 0.391 0.951) 3.020 4.328 ( 3.409 -7.906 0.164) 8.611 4.556 ( 2.406 3.382 -3.162) 5.218 4.742 ( 4.898 3.983 2.980) 6.981 4.786 ( 3.104 4.345 4.454) 6.954 4.930 ( -0.652 4.358 -4.069) 5.998 4.980 ( 3.466 0.962 0.210) 3.603 5.066 ( 12.355 0.674 6.065) 13.780 5.129 ( -7.080 3.046 -4.473) 8.911 5.295 ( -5.784 1.989 -6.683) 9.060 5.358 ( -5.130 0.470 5.232) 7.343 5.450 ( -6.802 -4.133 -2.496) 8.341 5.629 ( -1.715 3.169 -0.388) 3.624 5.643 ( 1.058 -3.313 1.484) 3.781 5.731 ( 1.926 -5.267 2.868) 6.299 5.843 ( 2.566 -1.141 -3.638) 4.596 5.925 ( -5.772 -1.948 -0.980) 6.170 6.345 ( 2.156 -1.057 9.043) 9.356 6.560 ( 1.465 -0.216 -3.093) 3.429 7.723 ( 5.502 0.332 -1.305) 5.665 7.856 ( -6.320 -1.123 -0.579) 6.445 7.923 ( -0.343 -1.482 2.063) 2.563 7.991 ( 1.142 -1.497 2.058) 2.790 8.055 ( -7.482 -1.910 -0.046) 7.722 8.105 ( -1.607 -1.212 -4.272) 4.722 9.432 ( 2.298 0.441 2.388) 3.344 9.547 ( 2.161 0.343 -5.416) 5.841 9.614 ( 0.016 2.123 6.132) 6.489 9.906 ( -1.715 2.621 -12.213) 12.608 10.026 ( 0.790 0.462 14.380) 14.409 10.362 ( -1.145 -1.837 8.774) 9.037 10.432 ( 4.510 3.900 -12.734) 14.061 10.658 ( -1.101 0.287 -8.381) 8.457 10.739 ( 2.486 -0.114 6.959) 7.391 10.850 ( 2.612 -0.732 -0.164) 2.718 12.476 ( 9.377 5.189 -0.605) 10.734 12.546 ( 3.988 7.043 0.586) 8.115 12.701 ( -3.413 -4.552 0.363) 5.701 12.755 ( -0.580 -1.710 -0.395) 1.848 12.825 ( -5.722 -2.678 0.374) 6.328 12.859 ( -6.126 -4.914 -0.344) 7.861 13.757 ( 2.645 -3.554 -2.708) 5.192 13.768 ( -1.845 0.695 1.144) 2.279 13.909 ( 0.571 1.589 1.890) 2.535 14.022 ( -4.020 -0.628 -1.471) 4.326 15.236 ( 0.298 0.309 0.124) 0.446 15.251 ( 0.348 0.686 -1.087) 1.332 15.780 ( -0.677 0.179 7.059) 7.093 15.957 ( 0.076 -1.253 -5.012) 5.167 16.678 ( 1.235 0.633 0.365) 1.435 16.699 ( 0.441 0.254 -0.267) 0.575 20.411 ( 0.899 0.655 2.716) 2.935 20.493 ( 0.343 0.661 -2.031) 2.163 20.659 ( -0.381 1.358 1.307) 1.923 20.720 ( 0.007 -0.952 -1.977) 2.194 26.665 ( 0.010 -0.066 0.026) 0.072 26.671 ( -0.086 0.034 -0.026) 0.096 26.690 ( -3.415 -1.797 1.623) 4.187 26.762 ( 1.048 -1.439 -5.433) 5.717 26.899 ( 1.249 3.285 8.928) 9.595 27.116 ( 0.487 2.023 -5.616) 5.989 28.492 ( 5.634 3.580 -1.776) 6.907 28.523 ( -0.883 1.669 1.962) 2.723 28.706 ( 4.997 1.503 1.244) 5.364 28.869 ( 2.721 -1.625 5.238) 6.122 28.933 ( -4.871 1.909 -3.314) 6.193 29.000 ( -0.912 -4.208 -1.346) 4.511 30.967 ( -3.572 -1.390 0.845) 3.925 31.201 ( -4.051 1.637 -8.981) 9.988 31.327 ( -0.540 -6.067 9.402) 11.203 31.513 ( 9.660 1.549 -3.278) 10.318 31.845 ( -9.542 5.277 6.476) 12.682 31.906 ( 0.580 -7.342 -5.782) 9.363 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 2.488 13.455 10.639) 17.333 2.282 ( 2.428 14.277 0.699) 14.499 2.369 ( -4.885 10.380 -4.822) 12.444 2.491 ( -2.589 10.943 -10.825) 15.608 2.721 ( 3.934 -4.831 1.301) 6.365 2.774 ( -5.327 -4.901 -4.773) 8.671 3.024 ( 2.340 -7.356 3.331) 8.407 3.112 ( -1.881 -6.984 -3.811) 8.175 3.319 ( 4.556 -5.412 -0.344) 7.083 3.330 ( -3.924 -6.041 -1.802) 7.426 3.560 ( 6.179 1.439 4.613) 7.844 3.588 ( 0.675 -4.444 2.393) 5.092 3.698 ( -3.691 -3.663 -4.455) 6.848 3.722 ( -1.000 -4.257 -3.017) 5.313 3.882 ( -0.434 1.142 4.499) 4.661 3.957 ( -0.911 -0.309 -0.207) 0.984 4.188 ( 1.442 3.809 3.946) 5.671 4.226 ( 2.572 0.254 1.235) 2.865 4.396 ( -2.490 8.667 5.713) 10.675 4.522 ( 3.922 2.222 -4.354) 6.267 4.702 ( 0.340 1.332 5.098) 5.280 4.798 ( 6.300 3.255 -3.073) 7.728 4.853 ( 1.692 -2.749 -0.126) 3.230 4.948 ( -8.580 2.424 -9.997) 13.395 5.010 ( 3.799 1.515 -2.957) 5.047 5.112 ( -1.821 5.419 -7.493) 9.425 5.243 ( 11.992 -0.460 4.901) 12.963 5.316 ( -13.155 -1.150 0.093) 13.206 5.478 ( -1.609 -2.686 4.555) 5.527 5.541 ( -3.168 3.404 2.548) 5.302 5.766 ( 1.895 -2.888 4.236) 5.466 5.863 ( 0.853 -3.140 1.529) 3.595 5.881 ( 0.447 -1.498 -0.641) 1.690 5.904 ( -1.898 -11.458 -4.936) 12.620 6.385 ( -0.301 2.203 10.748) 10.975 6.537 ( -0.074 2.100 -3.632) 4.196 7.795 ( 1.588 -2.669 0.352) 3.126 7.833 ( -1.111 -3.250 -2.891) 4.489 8.015 ( -4.014 -4.779 1.671) 6.461 8.016 ( -0.709 -6.187 1.461) 6.396 8.128 ( 5.707 -6.645 -0.612) 8.780 8.147 ( -1.458 -6.276 -2.359) 6.862 9.424 ( -0.035 3.227 2.546) 4.110 9.518 ( 1.345 2.320 -6.754) 7.267 9.585 ( -0.582 3.525 7.113) 7.960 9.767 ( -2.282 4.956 -11.007) 12.285 10.047 ( -0.416 3.193 13.498) 13.876 10.321 ( 1.825 4.458 -12.797) 13.673 10.420 ( 0.578 0.609 8.316) 8.358 10.574 ( -1.391 3.456 -6.313) 7.330 10.769 ( 0.656 2.568 5.060) 5.712 10.834 ( 1.272 4.151 -1.544) 4.608 12.380 ( -2.120 8.468 1.132) 8.802 12.402 ( 1.958 8.297 -0.970) 8.580 12.790 ( -1.016 -2.534 2.594) 3.765 12.840 ( 3.312 -5.000 -2.140) 6.368 12.878 ( 2.940 -5.139 0.579) 5.949 12.899 ( -4.887 -5.909 -1.600) 7.833 13.740 ( -1.783 0.536 1.925) 2.678 13.804 ( 2.296 -0.348 -4.271) 4.862 13.959 ( 0.532 -4.072 4.164) 5.849 14.026 ( -1.556 -4.337 -2.295) 5.148 15.244 ( 0.252 -1.099 -0.317) 1.171 15.251 ( 0.402 -0.902 -1.065) 1.453 15.801 ( -1.556 -0.016 8.685) 8.823 15.947 ( 0.814 0.220 -5.955) 6.015 16.650 ( -0.031 3.247 0.898) 3.369 16.668 ( -0.093 2.936 -0.897) 3.072 20.406 ( -2.976 0.588 3.701) 4.785 20.489 ( 3.603 0.581 -3.830) 5.290 20.636 ( 0.897 1.808 2.834) 3.479 20.710 ( -1.261 0.233 -4.211) 4.402 26.667 ( -0.112 -0.191 0.182) 0.287 26.669 ( -0.190 0.020 0.004) 0.191 26.690 ( -4.691 -1.868 3.258) 6.009 26.769 ( 1.497 -0.141 -3.293) 3.620 26.928 ( 4.787 0.276 4.590) 6.638 27.057 ( -0.681 1.414 -7.850) 8.005 28.453 ( -4.738 3.104 0.232) 5.669 28.472 ( 5.691 4.179 -1.603) 7.240 28.733 ( 7.506 4.129 3.134) 9.122 28.753 ( -9.534 5.565 1.808) 11.186 28.927 ( -0.814 0.337 3.418) 3.530 29.049 ( 3.457 -0.204 -8.976) 9.620 30.962 ( -3.194 -1.116 2.840) 4.418 31.091 ( -0.596 1.540 -8.942) 9.093 31.448 ( -6.961 1.454 8.130) 10.801 31.537 ( 10.357 6.368 -1.684) 12.274 31.801 ( -2.769 -11.967 19.992) 23.464 32.149 ( 0.801 -19.703 -14.075) 24.227 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 6.311 18.513 10.838) 22.361 2.076 ( 3.656 13.528 11.378) 18.051 2.146 ( -0.709 10.015 -14.178) 17.373 2.261 ( 3.197 7.467 -12.202) 14.658 2.840 ( -6.502 -9.776 -1.326) 11.815 2.898 ( 0.909 -10.284 3.209) 10.811 3.179 ( -3.071 -9.564 -1.276) 10.125 3.234 ( -1.611 -9.869 -1.556) 10.120 3.372 ( -3.797 -3.831 1.380) 5.567 3.477 ( 2.254 -8.545 -0.670) 8.863 3.584 ( -2.880 -0.619 -4.649) 5.503 3.645 ( 6.445 -0.293 5.366) 8.392 3.707 ( -5.550 -0.796 -1.781) 5.883 3.826 ( 3.926 -2.902 0.273) 4.889 3.876 ( -0.032 1.681 6.713) 6.920 3.940 ( 1.043 0.832 -0.460) 1.412 4.130 ( 3.387 7.754 10.405) 13.411 4.206 ( 0.870 5.671 -9.637) 11.216 4.228 ( -2.392 2.815 5.172) 6.356 4.408 ( 5.173 9.727 -9.975) 14.862 4.675 ( -8.855 1.484 -6.760) 11.239 4.836 ( 7.552 0.930 2.298) 7.948 4.880 ( 3.984 -0.643 5.228) 6.604 4.940 ( -1.350 2.670 -1.231) 3.235 4.973 ( 2.539 -2.692 -4.781) 6.046 5.009 ( -1.056 0.755 -7.091) 7.209 5.188 ( -9.286 -0.524 -0.512) 9.315 5.362 ( 3.899 4.057 2.692) 6.238 5.470 ( 0.236 4.022 4.636) 6.142 5.487 ( 0.888 -1.217 -0.222) 1.522 5.757 ( -3.098 6.180 -0.611) 6.940 5.797 ( 3.421 2.644 4.067) 5.936 6.075 ( -3.510 -9.816 1.123) 10.485 6.172 ( 4.309 -13.724 -0.370) 14.390 6.406 ( -3.528 -6.018 9.220) 11.562 6.489 ( -4.549 -4.804 -4.183) 7.827 7.812 ( -7.771 -5.760 -2.099) 9.898 7.940 ( 5.015 -4.126 0.527) 6.515 8.061 ( -5.718 -6.865 2.743) 9.346 8.184 ( 1.929 -8.632 0.800) 8.881 8.238 ( -3.563 -7.997 -1.523) 8.886 8.331 ( 5.699 -8.252 -1.779) 10.185 9.337 ( -3.015 5.466 2.595) 6.760 9.443 ( 1.431 4.588 -6.126) 7.786 9.539 ( 0.755 4.780 6.482) 8.089 9.626 ( 0.722 5.476 -7.328) 9.176 10.041 ( 1.316 3.103 11.788) 12.260 10.203 ( 2.908 5.525 -12.734) 14.182 10.430 ( -0.008 2.147 5.156) 5.586 10.486 ( 1.644 4.070 -1.152) 4.539 10.665 ( -4.326 7.593 -0.661) 8.763 10.761 ( 4.452 6.821 0.109) 8.146 12.226 ( -2.471 6.301 0.961) 6.836 12.292 ( 2.293 5.999 -0.710) 6.461 12.793 ( 0.546 3.017 4.420) 5.379 12.858 ( -0.338 3.491 -6.756) 7.613 12.998 ( 1.273 -6.499 -0.021) 6.623 13.002 ( 1.538 -5.442 0.670) 5.694 13.729 ( -1.410 -0.008 1.906) 2.371 13.800 ( 1.647 0.818 -4.093) 4.488 14.050 ( -3.553 -6.639 2.486) 7.930 14.119 ( 1.494 -5.635 -0.204) 5.833 15.278 ( -1.085 -3.451 -0.591) 3.665 15.289 ( 0.212 -3.483 -0.519) 3.528 15.812 ( -2.959 -0.282 6.513) 7.159 15.926 ( 2.196 1.243 -4.094) 4.809 16.586 ( 0.318 4.165 0.845) 4.261 16.601 ( 0.750 4.263 -0.848) 4.411 20.373 ( -3.095 0.837 3.553) 4.786 20.491 ( 3.136 1.554 -3.750) 5.129 20.642 ( 0.913 2.721 1.145) 3.090 20.654 ( 0.315 0.983 -2.957) 3.132 26.667 ( -0.433 -0.207 0.093) 0.489 26.669 ( 0.067 0.079 -0.005) 0.104 26.693 ( -3.671 -2.104 3.477) 5.477 26.783 ( 1.693 -0.064 1.083) 2.011 26.985 ( -0.933 -0.459 -6.915) 6.992 27.005 ( 4.716 0.783 -0.785) 4.845 28.354 ( -3.689 2.198 -0.395) 4.312 28.454 ( 5.229 3.470 -1.366) 6.423 28.563 ( -8.625 4.533 1.226) 9.820 28.750 ( 7.549 5.598 2.254) 9.664 28.881 ( -0.847 4.689 3.324) 5.810 28.987 ( 4.010 7.666 -8.004) 11.787 30.965 ( -2.244 -0.855 4.011) 4.675 31.065 ( 2.528 0.016 -4.032) 4.759 31.313 ( -6.482 4.834 1.834) 8.291 31.492 ( 8.446 8.523 -1.664) 12.114 32.229 ( -4.736 -25.871 24.439) 35.903 32.466 ( -5.050 -25.131 -16.892) 30.699 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 24.418 0.000 -0.393) 24.422 1.928 ( 16.645 0.000 -12.124) 20.593 2.424 ( 8.644 0.000 13.041) 15.646 2.605 ( 14.518 0.000 13.456) 19.795 2.606 ( -16.756 -0.000 0.149) 16.757 2.936 ( -10.778 -0.000 -4.744) 11.776 3.173 ( -8.863 -0.000 1.175) 8.941 3.174 ( -6.048 -0.000 -10.022) 11.705 3.451 ( -10.397 -0.000 -4.289) 11.246 3.482 ( -0.830 -0.000 -12.664) 12.691 3.627 ( -1.133 -0.000 0.138) 1.142 3.636 ( -1.307 -0.000 -2.635) 2.941 3.744 ( -0.245 -0.000 1.045) 1.073 3.767 ( -1.677 -0.000 -3.935) 4.277 3.902 ( -0.422 -0.000 7.802) 7.813 3.969 ( -5.244 -0.000 -0.884) 5.318 4.030 ( 4.302 0.000 7.370) 8.534 4.073 ( 4.485 0.000 0.628) 4.529 4.304 ( 5.573 0.000 -6.088) 8.254 4.712 ( 7.847 0.000 -2.033) 8.106 4.794 ( -2.579 -0.000 14.677) 14.902 4.888 ( -2.397 -0.000 11.049) 11.306 4.927 ( -15.429 -0.000 -3.985) 15.936 4.942 ( 6.517 0.000 0.662) 6.550 5.029 ( 7.440 0.000 13.195) 15.148 5.079 ( -1.774 -0.000 -5.685) 5.955 5.264 ( 2.707 0.000 13.622) 13.888 5.421 ( 10.501 0.000 0.225) 10.503 5.429 ( 0.574 0.000 5.015) 5.048 5.475 ( -1.575 -0.000 -11.560) 11.666 5.489 ( 4.124 0.000 -2.630) 4.891 5.828 ( 6.649 0.000 -12.793) 14.418 5.867 ( -10.684 -0.000 -2.934) 11.080 6.201 ( -10.810 -0.000 -6.010) 12.368 6.259 ( -4.065 -0.000 2.622) 4.837 6.370 ( -3.381 -0.000 -4.729) 5.813 7.726 ( -4.870 -0.000 -1.094) 4.991 7.752 ( -7.438 -0.000 2.823) 7.955 8.120 ( -5.293 -0.000 -0.041) 5.294 8.169 ( -7.930 -0.000 0.136) 7.931 8.178 ( -2.135 -0.000 5.296) 5.710 8.352 ( -0.435 -0.000 -3.116) 3.146 9.387 ( 3.295 0.000 -0.359) 3.315 9.508 ( 1.045 0.000 -3.282) 3.444 9.588 ( 4.806 0.000 9.196) 10.376 9.770 ( 6.823 0.000 11.093) 13.024 10.025 ( 3.509 0.000 -12.876) 13.346 10.211 ( 0.845 0.000 4.641) 4.717 10.506 ( 6.174 0.000 1.394) 6.329 10.513 ( 6.774 0.000 -6.995) 9.737 10.622 ( 1.934 0.000 2.093) 2.850 10.782 ( 1.822 0.000 -4.847) 5.179 12.302 ( 3.027 0.000 0.872) 3.150 12.320 ( 4.700 0.000 -1.459) 4.921 12.715 ( 3.284 0.000 -2.558) 4.162 12.840 ( -6.869 -0.000 1.270) 6.986 12.980 ( -2.213 -0.000 -0.336) 2.238 13.043 ( -1.513 -0.000 2.909) 3.279 13.600 ( 3.292 0.000 -1.789) 3.746 13.825 ( -3.675 -0.000 2.271) 4.320 14.068 ( -1.027 -0.000 -2.483) 2.687 14.117 ( -6.877 -0.000 1.839) 7.119 15.265 ( -1.150 -0.000 0.729) 1.362 15.314 ( -1.363 -0.000 -0.977) 1.677 15.819 ( 2.447 0.000 -3.470) 4.246 15.846 ( -3.038 -0.000 2.885) 4.190 16.602 ( 3.736 0.000 -0.450) 3.763 16.622 ( 2.862 0.000 1.049) 3.048 20.456 ( 2.019 0.000 1.927) 2.792 20.492 ( 0.372 0.000 0.850) 0.928 20.653 ( 2.006 0.000 -2.897) 3.524 20.677 ( -0.400 -0.000 3.575) 3.598 26.654 ( -4.095 -0.000 2.192) 4.645 26.670 ( 0.060 0.000 -0.224) 0.232 26.673 ( -0.411 -0.000 0.269) 0.491 26.728 ( 0.438 0.000 -5.181) 5.200 27.030 ( 1.542 0.000 11.649) 11.751 27.242 ( 3.847 0.000 -1.586) 4.161 28.368 ( 0.536 0.000 0.057) 0.539 28.409 ( -1.189 -0.000 -0.197) 1.205 28.637 ( 2.785 0.000 3.251) 4.281 28.700 ( 6.054 0.000 -1.233) 6.178 28.971 ( 12.160 0.000 -3.228) 12.581 28.993 ( 0.287 0.000 9.152) 9.157 30.957 ( -2.664 -0.000 -1.744) 3.184 31.141 ( 1.285 0.000 2.084) 2.448 31.148 ( 0.814 0.000 0.553) 0.984 31.698 ( 9.595 0.000 -6.007) 11.320 31.798 ( -14.606 -0.000 -23.365) 27.554 32.383 ( -25.454 -0.000 11.644) 27.991 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 16.475 -3.808 -6.935) 18.276 2.176 ( 19.285 -7.237 7.573) 21.946 2.424 ( -7.310 0.489 1.177) 7.420 2.594 ( 7.198 -0.793 11.484) 13.576 2.806 ( 7.134 -1.297 13.664) 15.469 2.844 ( -7.590 -4.124 -6.953) 11.089 3.045 ( -8.489 1.525 -1.799) 8.810 3.116 ( -6.382 -0.908 -6.341) 9.042 3.293 ( -9.163 1.784 -6.997) 11.667 3.393 ( -4.500 2.305 -6.701) 8.394 3.546 ( 1.328 7.777 -1.244) 7.987 3.582 ( -1.399 3.298 -0.475) 3.614 3.742 ( -1.540 -1.010 1.444) 2.340 3.757 ( -0.703 -1.033 -2.162) 2.497 3.887 ( -4.179 0.805 -1.120) 4.401 3.940 ( -1.350 -1.292 -5.324) 5.643 4.082 ( 4.666 1.571 5.818) 7.621 4.160 ( 1.012 -3.003 4.716) 5.682 4.332 ( 10.189 4.095 -3.138) 11.421 4.633 ( -14.890 0.708 -4.671) 15.622 4.829 ( -1.212 -2.060 8.238) 8.577 4.850 ( 4.259 0.178 -1.739) 4.603 4.886 ( -2.281 -0.631 4.459) 5.048 5.033 ( 5.984 2.114 1.498) 6.521 5.054 ( 3.316 -3.256 1.156) 4.789 5.161 ( 5.515 1.788 11.414) 12.802 5.317 ( -0.843 1.083 4.764) 4.958 5.418 ( -6.069 0.064 -4.170) 7.364 5.444 ( 1.090 -0.374 -1.758) 2.102 5.521 ( 4.453 -2.620 1.700) 5.439 5.586 ( 2.448 -3.752 -3.013) 5.399 5.739 ( -4.607 0.392 0.901) 4.711 5.836 ( 4.826 2.284 -10.409) 11.698 5.968 ( -8.270 6.163 -2.464) 10.604 6.268 ( 0.027 -1.343 3.992) 4.212 6.423 ( -1.349 -6.730 -5.790) 8.980 7.703 ( -0.758 -1.411 -0.754) 1.771 7.726 ( -4.856 -2.928 0.614) 5.704 8.037 ( -3.805 3.259 2.004) 5.396 8.094 ( -3.972 1.664 -0.483) 4.333 8.134 ( 0.027 5.942 3.925) 7.121 8.258 ( -0.584 7.768 -3.519) 8.548 9.416 ( 2.151 -0.360 1.099) 2.442 9.515 ( 0.314 -1.470 -4.355) 4.607 9.658 ( 2.249 0.596 9.266) 9.554 9.928 ( 4.245 -4.684 13.667) 15.058 9.980 ( 1.382 2.087 -11.712) 11.976 10.266 ( -0.264 -3.477 2.951) 4.568 10.511 ( 5.688 1.421 -7.434) 9.467 10.620 ( 0.779 -0.687 2.236) 2.465 10.654 ( 1.401 -4.162 -1.072) 4.521 10.779 ( 0.600 -1.625 -4.128) 4.476 12.375 ( 3.272 -4.929 0.606) 5.947 12.407 ( 3.010 -5.703 -1.323) 6.583 12.725 ( 0.169 0.117 -0.817) 0.843 12.775 ( -5.974 0.268 0.469) 5.998 12.929 ( 0.539 5.243 -0.107) 5.271 12.967 ( -2.851 6.567 1.266) 7.270 13.655 ( 5.113 -1.673 -0.953) 5.464 13.783 ( -4.349 0.251 -0.182) 4.360 14.021 ( -1.685 3.180 0.871) 3.702 14.059 ( -3.320 1.078 -0.270) 3.501 15.257 ( -0.171 0.549 1.055) 1.202 15.293 ( 0.181 1.059 -1.432) 1.790 15.796 ( -0.958 1.184 3.046) 3.406 15.876 ( -0.006 -2.877 -2.778) 4.000 16.646 ( 2.596 -1.288 -0.204) 2.905 16.659 ( 0.969 -1.405 0.536) 1.788 20.463 ( 0.891 1.548 2.131) 2.781 20.498 ( 0.030 -0.140 0.283) 0.317 20.672 ( 1.573 -0.229 -0.404) 1.640 20.684 ( -0.632 -0.881 0.094) 1.088 26.634 ( -3.266 -0.905 2.658) 4.307 26.668 ( -0.001 0.063 -0.014) 0.065 26.673 ( 0.058 -0.021 -0.097) 0.115 26.720 ( 1.243 -0.651 -5.608) 5.781 27.050 ( 0.372 3.855 10.964) 11.628 27.234 ( 3.043 3.661 -3.293) 5.789 28.426 ( 1.619 -4.744 -0.073) 5.013 28.465 ( -1.990 -7.214 0.369) 7.493 28.657 ( 2.657 1.579 2.743) 4.132 28.757 ( 2.653 -2.176 -3.423) 4.847 28.980 ( 0.940 3.548 7.916) 8.725 29.072 ( 6.535 1.416 -0.987) 6.759 30.932 ( -2.680 -0.500 1.211) 2.983 31.135 ( -0.106 -0.553 4.557) 4.592 31.224 ( -0.380 -4.785 -3.725) 6.076 31.477 ( -10.341 1.390 -22.290) 24.611 31.870 ( 17.475 2.356 -1.639) 17.709 32.133 ( -22.117 5.019 9.823) 24.715 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -7.595 -4.679 3.674) 9.648 2.340 ( 8.316 -4.801 -5.545) 11.088 2.595 ( 12.372 0.011 8.618) 15.078 2.681 ( -1.034 -2.113 6.380) 6.800 2.791 ( -9.454 -2.022 5.895) 11.324 2.884 ( -6.270 4.011 -5.649) 9.344 2.932 ( 4.914 -0.182 1.256) 5.075 3.039 ( 3.514 3.137 -7.464) 8.826 3.216 ( -11.172 -3.904 2.448) 12.085 3.306 ( 2.213 5.898 -1.509) 6.478 3.431 ( 2.460 4.292 -0.720) 4.999 3.499 ( -0.691 0.089 -4.913) 4.962 3.739 ( 4.262 3.599 -0.536) 5.604 3.791 ( -4.081 1.903 -5.686) 7.253 3.827 ( 0.781 -2.721 3.213) 4.282 3.897 ( -2.323 -1.323 -3.105) 4.098 4.173 ( 4.339 -2.932 3.270) 6.174 4.223 ( -0.923 -3.302 -0.040) 3.429 4.340 ( 6.966 3.091 3.937) 8.578 4.477 ( -9.411 -1.262 -8.340) 12.638 4.848 ( -0.698 0.604 3.056) 3.192 4.909 ( 1.164 -2.193 3.242) 4.083 4.959 ( 7.832 0.523 0.707) 7.881 5.040 ( 0.878 2.897 3.831) 4.883 5.095 ( -3.647 1.777 -2.379) 4.703 5.221 ( 5.440 1.570 0.260) 5.668 5.233 ( -3.801 2.971 3.669) 6.061 5.358 ( -0.483 0.788 -1.486) 1.750 5.400 ( -0.549 4.369 -0.779) 4.472 5.568 ( -2.420 -2.277 -7.094) 7.834 5.622 ( -0.421 -3.640 5.756) 6.824 5.755 ( 1.957 3.072 3.095) 4.780 5.821 ( -4.180 -2.857 -4.079) 6.502 5.862 ( 3.235 0.056 -2.865) 4.322 6.346 ( 0.387 -3.872 8.077) 8.966 6.488 ( -2.012 -4.978 -5.770) 7.882 7.730 ( -2.864 -2.424 0.739) 3.824 7.769 ( 4.550 -2.995 -3.134) 6.285 7.973 ( -0.675 2.953 5.308) 6.111 8.025 ( -1.105 3.085 0.409) 3.303 8.037 ( 0.075 5.237 1.110) 5.353 8.105 ( 0.984 5.045 -5.309) 7.389 9.453 ( 1.123 -0.856 2.131) 2.556 9.523 ( -0.268 -1.434 -4.963) 5.173 9.681 ( -0.462 1.901 9.090) 9.298 9.889 ( -1.285 2.670 -11.309) 11.690 10.085 ( 0.637 -2.230 16.029) 16.196 10.326 ( -1.973 -3.108 1.365) 3.926 10.492 ( 3.149 2.899 -6.012) 7.380 10.598 ( -1.605 -1.443 -8.616) 8.882 10.752 ( 0.908 -2.996 4.772) 5.707 10.824 ( 0.053 -3.454 -2.117) 4.052 12.532 ( -0.375 -8.851 0.770) 8.892 12.553 ( -0.146 -8.753 -1.253) 8.843 12.695 ( 0.219 4.451 0.661) 4.506 12.707 ( 0.085 4.227 -0.481) 4.255 12.819 ( -0.645 4.889 0.838) 5.002 12.834 ( 0.841 4.833 -0.543) 4.936 13.729 ( -0.516 -1.026 -0.209) 1.168 13.751 ( 2.558 -1.563 -2.281) 3.767 13.956 ( -1.896 2.651 3.177) 4.552 14.005 ( -0.217 2.312 -1.463) 2.744 15.249 ( 0.034 0.794 0.681) 1.047 15.272 ( 1.004 1.304 -1.727) 2.386 15.792 ( -2.613 -0.316 6.667) 7.168 15.910 ( 1.347 -2.081 -5.050) 5.626 16.682 ( -0.600 -1.067 0.522) 1.331 16.691 ( 0.590 -1.221 -0.376) 1.407 20.445 ( -0.767 1.680 2.845) 3.392 20.498 ( 0.922 0.231 -1.838) 2.070 20.665 ( -2.050 -0.080 1.736) 2.688 20.712 ( 2.704 -0.352 -2.287) 3.558 26.633 ( -3.388 -1.040 3.603) 5.054 26.668 ( 0.010 -0.022 0.174) 0.176 26.673 ( 0.026 0.076 -0.106) 0.133 26.737 ( 3.258 -1.402 -6.259) 7.194 27.011 ( -0.361 4.422 9.143) 10.163 27.165 ( 2.252 4.583 -5.856) 7.770 28.509 ( -1.262 -1.595 2.342) 3.102 28.561 ( 0.791 -3.170 -2.791) 4.297 28.697 ( 2.699 -2.937 4.178) 5.776 28.800 ( -2.989 -4.854 -5.629) 8.011 28.928 ( -6.523 3.563 8.591) 11.360 29.083 ( 11.422 4.711 -4.724) 13.227 30.931 ( -2.208 -0.589 5.442) 5.903 31.139 ( -3.786 0.201 -9.452) 10.184 31.256 ( -0.810 -4.554 6.143) 7.689 31.440 ( 0.164 -8.309 -9.606) 12.702 31.866 ( -16.988 6.121 7.814) 19.676 31.972 ( 17.118 5.291 -2.989) 18.164 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -11.337 -7.948 1.938) 13.981 2.419 ( 3.538 2.006 -2.528) 4.788 2.547 ( 0.545 11.923 7.541) 14.118 2.627 ( -10.217 -2.609 -5.361) 11.829 2.703 ( 2.844 9.766 3.046) 10.618 2.834 ( 2.566 7.087 0.700) 7.570 2.980 ( -1.418 -0.945 -2.109) 2.712 3.025 ( 7.251 -0.074 1.232) 7.355 3.182 ( -7.396 -1.742 -3.901) 8.541 3.294 ( 5.983 -3.475 2.133) 7.240 3.422 ( -3.942 -7.752 1.926) 8.907 3.600 ( 2.606 -1.540 -3.563) 4.675 3.657 ( 1.264 2.222 -0.241) 2.568 3.750 ( 7.856 1.692 -2.742) 8.491 3.899 ( -1.061 -1.370 2.010) 2.654 3.932 ( 1.669 -2.937 2.191) 4.026 4.216 ( -0.969 0.240 0.788) 1.272 4.255 ( 0.805 -2.033 -3.052) 3.755 4.409 ( -6.020 -7.057 -5.557) 10.813 4.473 ( 6.943 -1.071 0.349) 7.034 4.816 ( -3.793 8.407 -0.503) 9.237 4.856 ( -5.139 -0.186 -2.420) 5.683 4.905 ( -3.582 5.053 -5.434) 8.239 4.987 ( 8.914 6.590 3.463) 11.614 5.075 ( 2.511 2.777 6.926) 7.873 5.121 ( -4.033 0.109 -4.618) 6.132 5.194 ( -4.478 5.002 -3.282) 7.473 5.379 ( 8.430 0.813 3.020) 8.992 5.418 ( -1.149 -3.393 11.800) 12.332 5.574 ( 0.035 -0.738 -9.706) 9.734 5.684 ( -1.745 -4.384 6.920) 8.376 5.757 ( 0.293 -2.090 -0.776) 2.248 5.802 ( -4.136 -3.085 -1.899) 5.498 5.929 ( 6.687 -0.366 -0.828) 6.748 6.427 ( -2.163 -1.056 9.514) 9.814 6.501 ( -3.511 -2.029 -5.487) 6.822 7.712 ( -4.716 -0.041 -0.625) 4.757 7.867 ( 8.471 -0.906 -1.946) 8.738 7.927 ( -4.671 1.220 1.685) 5.114 7.981 ( 1.980 -1.213 5.251) 5.742 8.059 ( 1.782 -2.116 -3.072) 4.134 8.099 ( 7.124 -2.996 -2.757) 8.205 9.462 ( -1.641 1.148 1.884) 2.749 9.517 ( -0.175 -0.434 -5.334) 5.355 9.670 ( -0.992 2.611 10.560) 10.923 9.776 ( -2.001 3.288 -9.554) 10.300 10.138 ( -1.813 1.833 14.254) 14.486 10.321 ( -1.214 -0.080 -10.189) 10.261 10.472 ( 1.070 1.083 5.329) 5.542 10.568 ( -0.015 0.036 -8.980) 8.980 10.800 ( -1.863 -0.152 3.476) 3.946 10.855 ( -0.533 -1.681 -2.769) 3.283 12.463 ( -8.912 5.386 0.553) 10.428 12.555 ( -4.750 6.484 -0.220) 8.041 12.713 ( 1.389 -5.246 -0.787) 5.484 12.745 ( 2.916 -1.353 0.557) 3.263 12.828 ( 6.368 -3.766 0.132) 7.400 12.858 ( 5.472 -3.196 -0.247) 6.342 13.721 ( -2.063 -1.203 0.552) 2.451 13.814 ( 4.346 -0.508 -3.365) 5.519 13.914 ( -3.447 0.176 2.127) 4.054 13.994 ( 3.292 -0.194 0.653) 3.361 15.238 ( -0.080 0.490 -0.035) 0.498 15.256 ( 1.081 0.813 -1.577) 2.078 15.797 ( -4.102 -0.762 7.001) 8.150 15.936 ( 2.616 -0.861 -4.668) 5.420 16.677 ( -1.699 0.351 0.394) 1.779 16.698 ( -0.087 0.632 -0.247) 0.684 20.408 ( -3.128 1.527 3.004) 4.598 20.504 ( 2.219 -0.331 -3.519) 4.174 20.662 ( -0.729 -0.254 2.311) 2.436 20.716 ( 1.894 1.534 -2.478) 3.476 26.629 ( -3.578 -0.943 4.208) 5.604 26.670 ( -0.100 -0.071 0.267) 0.294 26.671 ( 0.095 0.043 -0.041) 0.112 26.776 ( 3.906 -0.858 -3.823) 5.533 26.982 ( -0.450 1.526 3.727) 4.052 27.089 ( 3.366 3.885 -6.140) 8.007 28.459 ( -5.288 2.966 1.425) 6.228 28.572 ( 3.065 2.231 -2.987) 4.826 28.739 ( -9.688 3.684 -0.178) 10.366 28.820 ( 2.303 -3.333 4.219) 5.849 28.870 ( -3.965 -3.157 2.620) 5.705 29.120 ( 12.183 2.872 -7.791) 14.744 30.949 ( -1.326 -0.036 9.015) 9.112 31.068 ( -0.003 0.201 -8.070) 8.073 31.386 ( -4.877 -5.003 10.009) 12.206 31.577 ( 0.956 -9.584 -9.636) 13.624 31.694 ( -8.893 -1.671 9.354) 13.014 32.010 ( 12.988 5.309 -5.616) 15.113 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -2.784 1.994 -1.765) 3.852 2.320 ( 2.887 10.961 -4.808) 12.313 2.444 ( 7.460 9.033 8.453) 14.446 2.463 ( 4.253 15.479 -0.108) 16.053 2.576 ( -7.723 -4.995 -1.134) 9.267 2.798 ( 1.265 -1.072 5.365) 5.616 3.019 ( -2.962 -6.100 -4.828) 8.324 3.080 ( -4.147 -2.910 5.075) 7.171 3.230 ( -0.046 -9.350 -5.523) 10.859 3.394 ( 2.388 -2.468 0.279) 3.445 3.522 ( -2.234 1.053 -7.313) 7.719 3.565 ( -2.982 -7.450 0.751) 8.060 3.710 ( 3.311 -0.014 1.577) 3.667 3.825 ( 3.962 -1.364 1.519) 4.457 3.924 ( 1.615 -0.775 4.834) 5.155 3.980 ( 2.593 1.030 0.297) 2.806 4.212 ( -0.312 -0.925 -0.135) 0.986 4.275 ( 2.111 1.478 -3.504) 4.350 4.377 ( -3.898 9.819 4.220) 11.376 4.462 ( -0.717 -1.876 -6.332) 6.643 4.683 ( -4.309 3.931 -4.779) 7.541 4.776 ( -1.076 -5.530 -7.444) 9.335 4.885 ( 0.423 -0.779 -1.920) 2.115 4.961 ( -3.357 1.016 -2.413) 4.257 4.990 ( -1.948 4.807 -5.274) 7.397 5.066 ( 6.007 4.931 4.335) 8.899 5.114 ( 2.201 3.009 3.948) 5.430 5.449 ( 1.205 -0.970 4.021) 4.308 5.507 ( -1.497 4.840 1.451) 5.270 5.543 ( 2.940 -2.515 10.272) 10.976 5.768 ( -3.469 -2.767 1.793) 4.786 5.795 ( -2.699 -6.759 -3.499) 8.075 5.875 ( 2.928 -4.501 -1.238) 5.510 6.022 ( 6.586 -4.666 1.611) 8.230 6.407 ( -5.550 1.809 5.606) 8.094 6.441 ( -3.946 2.008 -3.694) 5.766 7.669 ( -4.917 -1.758 -0.798) 5.282 7.880 ( -2.914 -2.041 0.290) 3.569 7.994 ( 4.263 -3.163 2.583) 5.903 8.065 ( -0.836 -4.356 2.036) 4.881 8.112 ( 1.924 -4.026 -1.124) 4.601 8.265 ( 7.577 -6.021 -3.509) 10.295 9.394 ( -3.211 3.775 0.877) 5.033 9.484 ( -0.636 1.644 -3.524) 3.940 9.655 ( 0.494 3.643 4.553) 5.852 9.676 ( -0.067 2.871 -0.646) 2.943 10.140 ( -0.171 1.848 11.686) 11.833 10.248 ( 1.574 2.327 -14.661) 14.928 10.476 ( -0.054 1.380 0.089) 1.384 10.547 ( 1.623 1.006 2.303) 2.991 10.731 ( -3.835 4.495 -0.929) 5.981 10.856 ( 0.750 1.038 -2.169) 2.519 12.302 ( -4.082 5.037 0.697) 6.521 12.407 ( -1.394 5.830 -0.532) 6.018 12.760 ( -1.548 -2.513 0.811) 3.061 12.801 ( -1.446 -3.741 -1.558) 4.303 12.961 ( 5.822 -2.616 -1.553) 6.569 12.993 ( 5.362 -3.273 1.823) 6.541 13.726 ( -0.880 -0.062 2.004) 2.190 13.823 ( 2.169 1.202 -3.740) 4.488 13.916 ( -3.418 -3.985 0.931) 5.332 14.067 ( 2.738 -3.093 1.603) 4.430 15.234 ( -0.413 -0.603 -0.517) 0.895 15.256 ( 0.547 -0.546 -1.088) 1.335 15.789 ( -4.329 -0.566 4.560) 6.313 15.955 ( 2.938 0.299 -2.481) 3.857 16.644 ( -0.701 1.967 0.235) 2.101 16.670 ( 0.398 2.507 0.012) 2.538 20.366 ( -3.190 0.590 3.074) 4.469 20.516 ( 2.047 -0.003 -3.935) 4.436 20.655 ( -0.365 1.606 -2.187) 2.738 20.703 ( 2.062 0.848 2.216) 3.144 26.635 ( -2.485 -1.408 4.474) 5.307 26.671 ( -0.066 -0.020 0.333) 0.341 26.673 ( 0.049 -0.100 0.337) 0.355 26.811 ( 2.530 -0.055 1.370) 2.877 26.942 ( -2.020 1.108 -6.628) 7.017 27.078 ( 5.776 1.393 -1.863) 6.227 28.354 ( -4.307 2.572 0.250) 5.023 28.538 ( -2.200 2.642 -2.357) 4.168 28.566 ( -3.269 4.351 0.184) 5.445 28.879 ( 0.106 1.338 2.107) 2.498 28.909 ( 0.926 -1.730 4.618) 5.017 29.126 ( 8.317 5.226 -8.525) 13.006 30.974 ( -0.425 0.678 10.424) 10.455 31.071 ( 3.192 -0.972 -3.419) 4.777 31.323 ( -7.841 3.471 1.971) 8.798 31.674 ( 4.216 -0.844 -8.531) 9.554 31.883 ( -5.819 -17.485 17.744) 25.582 32.043 ( 2.392 -5.490 -11.880) 13.304 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -13.967 -0.000 0.132) 13.968 2.226 ( 17.940 0.000 -5.955) 18.903 2.493 ( 17.884 0.000 7.876) 19.541 2.619 ( -18.698 -0.000 -2.829) 18.911 2.765 ( 14.821 0.000 13.217) 19.858 2.947 ( 1.907 0.000 8.575) 8.784 2.984 ( -6.885 -0.000 -1.273) 7.002 2.987 ( 0.891 0.000 -6.891) 6.948 3.180 ( -12.066 -0.000 -5.926) 13.442 3.334 ( -1.919 -0.000 -10.154) 10.334 3.599 ( -1.844 -0.000 0.562) 1.927 3.628 ( 1.688 0.000 -1.685) 2.385 3.722 ( -2.626 -0.000 0.739) 2.728 3.746 ( 1.863 0.000 -0.637) 1.969 3.891 ( -0.927 -0.000 -3.921) 4.029 3.894 ( 1.886 0.000 -1.217) 2.245 4.162 ( 2.113 0.000 4.829) 5.271 4.165 ( 0.933 0.000 5.665) 5.742 4.409 ( -22.124 -0.000 3.111) 22.342 4.491 ( 14.200 0.000 -3.606) 14.651 4.811 ( 0.105 0.000 2.177) 2.179 4.829 ( -3.440 -0.000 -4.006) 5.281 4.912 ( 2.950 0.000 5.478) 6.222 5.061 ( 3.775 0.000 -0.893) 3.879 5.096 ( 2.384 0.000 6.417) 6.846 5.299 ( -3.252 -0.000 -6.618) 7.374 5.358 ( 12.332 0.000 2.872) 12.662 5.398 ( 0.094 0.000 2.063) 2.065 5.432 ( -2.261 -0.000 12.165) 12.373 5.525 ( -0.081 -0.000 -0.733) 0.737 5.541 ( -2.394 -0.000 -5.771) 6.248 5.723 ( 4.156 0.000 -2.971) 5.108 5.862 ( 1.136 0.000 -5.620) 5.734 5.920 ( -9.201 -0.000 -3.241) 9.755 6.278 ( 0.139 0.000 0.911) 0.921 6.310 ( -0.732 -0.000 -2.895) 2.986 7.673 ( -1.131 -0.000 0.622) 1.291 7.692 ( 2.686 0.000 -1.299) 2.983 8.059 ( 0.546 0.000 0.744) 0.923 8.069 ( -1.260 -0.000 -0.037) 1.260 8.226 ( 0.910 0.000 5.369) 5.445 8.322 ( 0.217 0.000 -4.185) 4.190 9.431 ( 0.943 0.000 0.952) 1.340 9.480 ( -0.864 -0.000 -3.531) 3.635 9.717 ( -0.376 -0.000 10.941) 10.948 9.960 ( 2.385 0.000 -6.920) 7.319 9.979 ( 0.819 0.000 7.601) 7.645 10.200 ( -2.759 -0.000 -4.826) 5.559 10.584 ( 2.388 0.000 1.141) 2.646 10.612 ( 2.520 0.000 1.421) 2.894 10.622 ( -2.594 -0.000 0.961) 2.767 10.712 ( -3.236 -0.000 -7.342) 8.023 12.338 ( -0.639 -0.000 1.044) 1.224 12.366 ( 0.639 0.000 -1.717) 1.832 12.735 ( -2.922 -0.000 0.226) 2.931 12.738 ( 2.540 0.000 -0.069) 2.541 12.998 ( -3.479 -0.000 0.778) 3.565 13.009 ( 4.022 0.000 -0.270) 4.031 13.704 ( 7.451 0.000 -0.118) 7.452 13.729 ( -4.895 -0.000 -2.503) 5.498 14.025 ( -3.998 -0.000 3.039) 5.021 14.065 ( 1.899 0.000 -0.873) 2.090 15.268 ( 0.319 0.000 1.160) 1.203 15.301 ( 0.914 0.000 -2.132) 2.319 15.792 ( -4.515 -0.000 3.390) 5.646 15.852 ( 2.955 0.000 -2.492) 3.866 16.647 ( -1.092 -0.000 0.404) 1.164 16.653 ( 1.165 0.000 -0.185) 1.180 20.488 ( -0.208 -0.000 1.626) 1.639 20.498 ( -0.379 -0.000 1.157) 1.217 20.660 ( -2.567 -0.000 0.660) 2.650 20.696 ( 4.356 0.000 -2.352) 4.951 26.613 ( -1.698 -0.000 3.248) 3.665 26.669 ( 0.205 0.000 -0.390) 0.441 26.673 ( 0.003 0.000 0.102) 0.102 26.708 ( 1.986 0.000 -5.506) 5.853 27.129 ( -0.672 -0.000 10.122) 10.144 27.289 ( 2.966 0.000 -4.863) 5.696 28.381 ( 0.668 0.000 0.191) 0.694 28.385 ( -0.910 -0.000 -0.157) 0.923 28.680 ( -1.303 -0.000 3.554) 3.785 28.762 ( 2.070 0.000 -4.242) 4.720 28.999 ( -7.371 -0.000 10.052) 12.465 29.190 ( 12.356 0.000 -6.587) 14.002 30.922 ( -1.540 -0.000 6.966) 7.135 31.119 ( -2.894 -0.000 -4.791) 5.597 31.177 ( 0.282 0.000 2.527) 2.543 31.317 ( -5.679 -0.000 -16.008) 16.986 31.990 ( -20.896 -0.000 7.871) 22.329 32.090 ( 21.509 0.000 -2.304) 21.632 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -19.460 -3.971 1.206) 19.897 2.364 ( -3.979 -6.218 -8.845) 11.520 2.459 ( -5.584 -0.646 -1.010) 5.711 2.708 ( 8.566 -2.994 6.593) 11.216 2.823 ( -5.727 2.347 -7.082) 9.405 2.910 ( 0.439 1.081 0.198) 1.183 2.978 ( 6.341 1.164 4.982) 8.148 3.071 ( -0.064 2.358 5.925) 6.378 3.076 ( 1.382 -3.359 1.373) 3.883 3.355 ( 7.081 -4.305 -4.676) 9.515 3.550 ( -1.512 4.837 -0.143) 5.070 3.577 ( 0.884 7.178 0.993) 7.300 3.723 ( -0.371 -2.537 0.863) 2.706 3.787 ( 3.389 -2.079 -0.943) 4.086 3.844 ( -0.095 2.571 -0.749) 2.679 3.923 ( 6.167 2.580 -1.129) 6.779 4.161 ( -4.662 0.009 -1.923) 5.043 4.182 ( 0.390 -0.999 2.264) 2.505 4.258 ( -12.708 -1.344 5.349) 13.853 4.568 ( 9.509 3.894 1.802) 10.432 4.806 ( -0.192 -1.110 -3.927) 4.085 4.873 ( -0.134 -3.391 4.369) 5.533 4.972 ( 1.939 -2.190 0.247) 2.935 5.060 ( -0.954 2.435 -1.746) 3.144 5.168 ( 5.240 -1.188 5.113) 7.417 5.208 ( -3.743 1.650 -5.238) 6.647 5.356 ( -1.783 2.097 -5.636) 6.273 5.404 ( 4.746 4.522 -1.625) 6.754 5.460 ( -0.267 1.684 0.986) 1.969 5.513 ( 0.589 -1.114 6.269) 6.395 5.572 ( 0.531 -3.214 3.178) 4.551 5.730 ( -1.991 0.095 -11.021) 11.200 5.814 ( -3.407 2.688 -1.257) 4.519 5.875 ( 3.608 -1.612 3.703) 5.415 6.303 ( -0.743 -3.191 5.101) 6.063 6.351 ( -1.258 -4.842 -3.633) 6.183 7.692 ( 1.923 -1.010 -0.005) 2.172 7.761 ( 7.023 -3.061 -2.156) 7.959 8.049 ( 2.562 2.677 2.159) 4.288 8.074 ( 3.328 1.903 -0.195) 3.839 8.182 ( 0.868 7.556 3.045) 8.193 8.229 ( 1.255 7.476 -4.133) 8.634 9.449 ( -0.147 -0.861 1.810) 2.009 9.467 ( -1.563 -1.410 -3.805) 4.348 9.734 ( -2.669 1.160 11.140) 11.514 9.875 ( -2.192 2.720 -11.535) 12.053 10.084 ( -1.049 -4.048 14.344) 14.941 10.203 ( -3.764 -6.045 -8.242) 10.892 10.529 ( -5.431 2.323 -4.130) 7.208 10.564 ( 1.769 2.534 1.741) 3.547 10.698 ( -2.313 -4.725 1.265) 5.411 10.719 ( -1.988 -4.764 -1.759) 5.454 12.376 ( -3.734 -5.381 0.843) 6.604 12.400 ( -2.586 -5.122 -1.059) 5.835 12.715 ( -1.139 0.043 0.199) 1.157 12.779 ( 6.066 0.173 0.020) 6.069 12.924 ( -0.452 4.924 0.318) 4.955 12.986 ( 4.310 7.088 -0.518) 8.312 13.677 ( -3.642 -0.704 -3.111) 4.841 13.789 ( 8.001 -0.410 -0.857) 8.057 13.986 ( -2.479 2.015 3.418) 4.679 14.066 ( 2.974 2.370 -0.078) 3.804 15.271 ( 0.788 0.856 0.863) 1.448 15.295 ( 1.235 0.847 -2.665) 3.057 15.767 ( -4.517 -0.662 4.748) 6.586 15.885 ( 2.607 -1.373 -2.550) 3.897 16.641 ( -2.772 -1.323 0.304) 3.087 16.668 ( -0.601 -1.295 -0.229) 1.446 20.471 ( -1.456 1.519 1.785) 2.759 20.502 ( 0.022 -0.096 -0.421) 0.432 20.637 ( -2.897 -0.506 1.073) 3.130 20.738 ( 4.930 -0.208 -2.962) 5.755 26.617 ( -0.795 0.061 3.418) 3.509 26.670 ( 0.104 0.035 0.031) 0.114 26.673 ( -0.007 0.038 -0.013) 0.040 26.724 ( 3.564 -1.347 -5.289) 6.518 27.111 ( -2.051 4.295 7.718) 9.067 27.250 ( 2.619 4.057 -6.957) 8.469 28.422 ( -2.073 -4.942 0.270) 5.366 28.467 ( 1.988 -6.926 0.240) 7.210 28.670 ( -3.620 -0.337 2.758) 4.564 28.745 ( -0.660 0.640 -4.150) 4.250 28.930 ( -9.030 2.061 7.554) 11.952 29.244 ( 10.843 2.821 -10.840) 15.590 30.959 ( 0.815 0.425 14.638) 14.666 31.066 ( -2.470 -0.456 -8.508) 8.871 31.208 ( -0.688 -2.391 4.788) 5.396 31.277 ( -1.414 -4.635 -7.505) 8.934 31.795 ( -17.308 2.709 6.065) 18.539 32.263 ( 22.521 4.939 -3.490) 23.319 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -19.421 -9.839 5.163) 22.375 2.294 ( -22.860 -11.693 -8.081) 26.918 2.500 ( 7.636 2.624 -2.044) 8.329 2.732 ( -6.395 -0.277 0.910) 6.465 2.762 ( 1.642 1.506 0.345) 2.254 2.894 ( -4.078 -3.542 -6.712) 8.616 2.989 ( 7.484 8.022 5.017) 12.064 3.142 ( 0.831 -5.863 8.340) 10.228 3.186 ( 11.597 4.763 0.526) 12.548 3.379 ( 2.951 7.554 1.547) 8.256 3.407 ( 1.380 5.896 -1.841) 6.329 3.596 ( 5.763 -3.541 0.058) 6.764 3.704 ( 1.055 3.189 -0.879) 3.472 3.846 ( 1.053 -3.611 0.797) 3.844 3.877 ( 3.004 2.245 2.640) 4.586 3.916 ( 4.083 -0.325 2.365) 4.729 4.097 ( -8.338 -2.699 -4.688) 9.939 4.211 ( -3.956 -2.655 -3.001) 5.631 4.249 ( 1.025 -3.408 2.148) 4.157 4.608 ( 8.314 2.990 1.483) 8.959 4.767 ( -6.186 2.114 -2.580) 7.028 4.891 ( 0.407 2.802 -0.457) 2.868 4.936 ( -6.399 6.656 -6.555) 11.324 4.988 ( -1.804 -0.947 -4.868) 5.278 5.136 ( -0.049 -0.292 2.030) 2.051 5.240 ( -0.966 5.162 -6.653) 8.476 5.301 ( 9.104 0.970 9.587) 13.257 5.392 ( -0.608 -1.643 6.006) 6.257 5.492 ( 4.866 -2.955 -6.588) 8.707 5.506 ( 0.543 5.271 1.935) 5.641 5.647 ( -2.875 -3.389 7.087) 8.365 5.673 ( -4.312 -3.456 -6.565) 8.581 5.756 ( 1.558 1.008 0.123) 1.860 5.969 ( 5.549 -1.781 -0.142) 5.830 6.360 ( -4.345 -3.465 -0.662) 5.597 6.419 ( -0.894 -3.369 5.176) 6.240 7.713 ( 1.734 1.883 -0.875) 2.705 7.904 ( 9.407 -3.395 -2.591) 10.331 7.995 ( -0.446 6.737 0.820) 6.802 8.052 ( 3.154 4.337 3.459) 6.381 8.094 ( 5.690 2.485 -0.472) 6.227 8.156 ( 6.114 2.758 -2.307) 7.093 9.447 ( -2.637 -0.676 -2.294) 3.560 9.474 ( -1.305 -1.235 -0.290) 1.820 9.729 ( -2.936 0.894 11.065) 11.482 9.761 ( -3.250 2.189 -7.745) 8.680 10.172 ( -4.473 -2.696 11.451) 12.586 10.213 ( -3.955 -2.829 -8.530) 9.818 10.459 ( -3.155 -2.064 -6.246) 7.296 10.560 ( 1.413 0.929 3.589) 3.967 10.747 ( -4.697 -5.469 -3.728) 8.116 10.760 ( -3.327 -2.539 2.169) 4.714 12.387 ( -8.656 -1.907 -0.123) 8.864 12.452 ( -7.275 -5.031 0.663) 8.870 12.716 ( 0.081 -0.837 0.324) 0.901 12.852 ( 4.928 2.495 0.436) 5.541 12.890 ( 9.795 3.347 -1.001) 10.399 12.892 ( 5.087 2.499 -0.620) 5.702 13.664 ( -1.701 -2.196 -1.916) 3.375 13.854 ( 5.472 0.700 -2.999) 6.279 13.937 ( -0.646 2.976 3.239) 4.446 14.059 ( 4.013 2.325 1.628) 4.916 15.260 ( 0.935 1.558 0.158) 1.824 15.279 ( 1.224 1.135 -2.396) 2.920 15.757 ( -4.520 -1.063 5.047) 6.858 15.928 ( 2.461 -1.599 -2.062) 3.587 16.638 ( -3.342 -1.706 0.329) 3.767 16.680 ( -1.713 -1.463 -0.320) 2.275 20.420 ( -2.888 2.325 1.377) 3.955 20.499 ( 0.129 -0.380 -1.656) 1.703 20.639 ( -1.846 -1.517 1.895) 3.050 20.766 ( 4.493 1.263 -3.437) 5.797 26.618 ( -0.658 0.399 3.675) 3.755 26.671 ( 0.071 0.037 0.227) 0.241 26.672 ( 0.007 0.010 -0.097) 0.098 26.780 ( 4.543 -1.863 -3.882) 6.259 27.025 ( -3.199 4.220 3.032) 6.102 27.178 ( 3.882 4.056 -6.641) 8.696 28.449 ( -4.496 0.246 1.211) 4.663 28.577 ( -0.317 -1.502 -0.837) 1.748 28.671 ( -4.765 -3.012 -3.763) 6.778 28.713 ( -4.866 -3.583 3.142) 6.811 28.845 ( -3.654 0.190 4.221) 5.586 29.249 ( 9.359 2.228 -13.601) 16.660 31.021 ( 1.623 0.908 9.286) 9.471 31.045 ( 2.217 0.368 4.629) 5.146 31.289 ( -3.223 -4.751 8.325) 10.113 31.347 ( -1.806 -8.245 -8.745) 12.154 31.625 ( -11.416 1.207 6.100) 13.000 32.330 ( 20.434 10.597 -4.855) 23.525 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -14.282 -14.539 9.097) 22.318 2.287 ( -13.605 -11.264 -6.861) 18.948 2.491 ( 5.982 4.443 -2.563) 7.880 2.670 ( -1.281 2.746 1.868) 3.559 2.767 ( 6.144 6.721 0.188) 9.108 2.872 ( -3.876 -2.546 -5.389) 7.110 2.934 ( -0.653 0.512 -0.218) 0.858 3.070 ( 2.638 12.917 6.046) 14.504 3.183 ( 6.227 3.856 -0.695) 7.357 3.419 ( 5.258 -0.181 -2.114) 5.670 3.446 ( 2.857 -5.571 2.270) 6.659 3.544 ( -0.840 5.293 -1.727) 5.630 3.742 ( -0.025 1.235 1.500) 1.943 3.859 ( 2.067 -0.193 1.398) 2.503 3.931 ( 1.392 -2.058 5.953) 6.450 4.007 ( 2.245 -0.514 -0.321) 2.325 4.088 ( -6.277 -9.008 2.700) 11.307 4.236 ( 0.222 -4.690 -8.654) 9.845 4.331 ( 0.607 -4.070 1.022) 4.240 4.550 ( 0.022 7.189 -5.371) 8.974 4.636 ( -9.403 7.011 -2.180) 11.930 4.716 ( -0.114 0.833 -4.312) 4.393 4.857 ( -0.833 2.154 -0.849) 2.461 4.936 ( -2.093 1.873 -7.837) 8.325 5.074 ( -2.304 6.055 -8.341) 10.561 5.201 ( 3.869 0.079 2.900) 4.836 5.341 ( 8.379 8.426 8.688) 14.721 5.438 ( -4.066 -0.313 4.118) 5.796 5.497 ( 2.309 -4.264 1.232) 5.003 5.574 ( 2.816 -2.467 4.088) 5.543 5.654 ( -2.307 -0.287 3.393) 4.113 5.725 ( 0.070 -4.846 -0.068) 4.847 5.824 ( 3.496 -3.583 -0.027) 5.006 6.048 ( 4.493 -1.911 -0.776) 4.944 6.332 ( -6.390 -0.672 -3.120) 7.142 6.444 ( -3.298 0.547 5.840) 6.729 7.655 ( -0.342 3.438 -1.025) 3.604 7.882 ( -0.497 4.204 1.346) 4.442 8.013 ( 4.739 0.938 -0.468) 4.854 8.060 ( 4.664 -0.004 0.303) 4.673 8.128 ( 5.015 0.825 2.319) 5.586 8.243 ( 7.944 -3.734 -3.406) 9.416 9.404 ( -3.179 1.061 -2.154) 3.984 9.469 ( -1.757 -0.422 -0.307) 1.833 9.666 ( -2.095 1.353 -7.383) 7.792 9.751 ( -1.122 0.754 14.099) 14.164 10.177 ( -2.802 -2.940 -15.641) 16.160 10.194 ( -2.415 0.272 12.267) 12.506 10.453 ( -1.457 -1.810 -6.335) 6.748 10.588 ( 0.833 -0.039 7.501) 7.547 10.725 ( -4.044 0.004 -2.407) 4.706 10.797 ( -3.534 -4.535 -2.272) 6.182 12.306 ( -6.098 1.005 0.165) 6.183 12.416 ( -6.749 -0.089 0.312) 6.757 12.746 ( 0.926 -0.923 0.801) 1.534 12.789 ( 2.662 3.803 -0.733) 4.699 12.959 ( 3.841 -2.545 -0.063) 4.608 13.016 ( 8.635 -2.002 -0.738) 8.895 13.699 ( -0.390 -2.944 0.009) 2.970 13.842 ( 0.350 1.608 -2.554) 3.038 13.908 ( 2.207 2.746 1.027) 3.670 14.083 ( 3.449 0.483 2.244) 4.143 15.240 ( 0.578 1.349 -0.564) 1.572 15.263 ( 0.975 0.927 -1.590) 2.083 15.750 ( -3.981 -0.844 4.347) 5.955 15.968 ( 2.082 -0.968 -1.506) 2.746 16.636 ( -2.379 -1.205 0.359) 2.691 16.681 ( -1.377 -0.672 -0.266) 1.555 20.362 ( -2.518 1.332 1.789) 3.363 20.507 ( 0.275 -0.877 -1.990) 2.192 20.650 ( -1.611 -0.900 0.251) 1.863 20.761 ( 3.555 2.365 -2.003) 4.716 26.626 ( -0.163 -0.048 4.329) 4.332 26.673 ( 0.145 -0.090 0.352) 0.391 26.673 ( 0.208 -0.003 0.189) 0.281 26.831 ( 2.557 -0.730 -1.367) 2.990 26.935 ( -2.712 2.705 -2.051) 4.345 27.148 ( 4.825 1.891 -5.551) 7.594 28.360 ( -4.609 3.005 1.001) 5.593 28.520 ( -5.960 2.560 -2.939) 7.122 28.593 ( -2.791 0.740 -0.140) 2.891 28.818 ( -0.591 -5.766 0.535) 5.821 28.893 ( -1.355 -3.890 6.000) 7.278 29.241 ( 7.134 2.497 -13.697) 15.644 31.060 ( 3.245 -1.280 0.839) 3.588 31.099 ( 3.778 3.622 17.785) 18.539 31.289 ( -7.752 0.951 2.588) 8.227 31.442 ( -3.682 -10.470 -13.013) 17.103 31.653 ( -5.276 -9.374 13.043) 16.906 32.267 ( 15.569 14.581 -6.491) 22.296 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -21.855 -0.000 2.926) 22.050 1.992 ( -31.154 -0.000 -12.845) 33.698 2.582 ( 11.231 0.000 -0.931) 11.270 2.717 ( -3.662 -0.000 -0.546) 3.702 2.733 ( -1.596 -0.000 -13.336) 13.431 2.903 ( -18.416 -0.000 14.715) 23.573 2.925 ( 6.313 0.000 -0.549) 6.337 3.196 ( 13.682 0.000 3.339) 14.084 3.237 ( 9.908 0.000 6.118) 11.645 3.355 ( 9.083 0.000 1.715) 9.244 3.581 ( -0.940 -0.000 1.977) 2.189 3.652 ( -0.159 -0.000 -1.210) 1.221 3.715 ( 3.081 0.000 1.352) 3.365 3.795 ( 2.276 0.000 -3.524) 4.195 3.903 ( 4.982 0.000 3.630) 6.164 4.004 ( 5.279 0.000 -0.058) 5.280 4.097 ( -8.274 -0.000 2.729) 8.712 4.169 ( -2.429 -0.000 -2.931) 3.806 4.191 ( -1.333 -0.000 2.022) 2.422 4.649 ( -0.554 -0.000 0.395) 0.681 4.857 ( 11.582 0.000 -0.377) 11.588 4.863 ( 0.015 0.000 8.758) 8.758 4.971 ( 1.336 0.000 -2.242) 2.610 5.073 ( 0.496 0.000 -5.322) 5.345 5.149 ( -4.141 -0.000 -8.072) 9.072 5.205 ( 1.005 0.000 5.108) 5.206 5.303 ( -3.312 -0.000 -7.663) 8.348 5.395 ( -3.564 -0.000 -2.889) 4.588 5.456 ( -5.925 -0.000 0.518) 5.948 5.533 ( -3.779 -0.000 12.842) 13.387 5.624 ( 9.008 0.000 -9.369) 12.997 5.658 ( -2.539 -0.000 -19.282) 19.448 5.807 ( 1.302 0.000 2.960) 3.233 5.952 ( 4.673 0.000 16.993) 17.624 6.291 ( 2.042 0.000 -0.954) 2.254 6.295 ( 0.961 0.000 3.300) 3.437 7.727 ( 6.391 0.000 -0.659) 6.425 7.805 ( 9.299 0.000 -2.236) 9.564 8.119 ( 5.164 0.000 0.241) 5.170 8.155 ( 7.416 0.000 1.271) 7.524 8.285 ( 1.323 0.000 3.626) 3.860 8.293 ( 1.302 0.000 -5.724) 5.870 9.418 ( -2.591 -0.000 -3.237) 4.147 9.442 ( -1.087 -0.000 2.129) 2.390 9.755 ( -4.617 -0.000 12.283) 13.121 9.828 ( -3.580 -0.000 -13.076) 13.558 10.018 ( -8.194 -0.000 -10.694) 13.472 10.091 ( -1.416 -0.000 12.673) 12.752 10.512 ( -7.148 -0.000 0.504) 7.166 10.529 ( -7.675 -0.000 -5.015) 9.168 10.645 ( -1.508 -0.000 -0.334) 1.545 10.654 ( -0.272 -0.000 6.444) 6.450 12.293 ( -4.280 -0.000 1.172) 4.438 12.323 ( -3.214 -0.000 -1.200) 3.431 12.684 ( -4.926 -0.000 0.495) 4.951 12.852 ( 8.020 0.000 -0.084) 8.021 12.975 ( 2.454 0.000 0.295) 2.472 13.094 ( 4.105 0.000 -1.788) 4.478 13.624 ( -2.182 -0.000 -4.108) 4.651 13.869 ( 8.350 0.000 -1.860) 8.555 14.001 ( -1.224 -0.000 4.111) 4.290 14.127 ( 4.281 0.000 0.803) 4.356 15.298 ( 2.101 0.000 0.783) 2.242 15.303 ( 1.306 0.000 -3.234) 3.487 15.735 ( -3.991 -0.000 4.912) 6.329 15.888 ( 1.893 0.000 -1.419) 2.366 16.595 ( -3.831 -0.000 0.290) 3.842 16.638 ( -2.318 -0.000 -0.468) 2.365 20.480 ( -1.773 -0.000 1.570) 2.368 20.489 ( -1.281 -0.000 -0.792) 1.506 20.607 ( -2.665 -0.000 1.355) 2.990 20.774 ( 5.321 0.000 -4.909) 7.240 26.638 ( 1.411 0.000 2.888) 3.214 26.671 ( 0.055 0.000 -0.066) 0.086 26.675 ( 0.226 0.000 0.348) 0.415 26.726 ( 3.807 0.000 -4.554) 5.936 27.162 ( -2.408 -0.000 6.159) 6.613 27.268 ( 0.622 0.000 -10.181) 10.200 28.373 ( -0.117 -0.000 -0.336) 0.356 28.400 ( 0.822 0.000 0.621) 1.030 28.648 ( -4.358 -0.000 3.173) 5.391 28.715 ( -3.144 -0.000 -4.414) 5.419 28.875 ( -10.468 -0.000 6.136) 12.133 29.289 ( 5.100 0.000 -18.605) 19.291 31.015 ( -0.660 -0.000 -5.860) 5.897 31.075 ( 5.028 0.000 18.818) 19.478 31.199 ( -1.394 -0.000 -4.433) 4.647 31.214 ( 1.560 0.000 12.529) 12.625 31.671 ( -15.151 -0.000 4.592) 15.832 32.538 ( 24.914 0.000 -4.481) 25.314 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -22.289 -6.243 8.419) 24.631 1.751 ( -28.645 -13.381 -8.156) 32.651 2.567 ( -3.423 -0.401 -8.423) 9.100 2.646 ( -8.905 -0.779 -4.855) 10.172 2.744 ( 6.833 3.089 -1.701) 7.689 2.819 ( -10.496 -2.769 13.832) 17.583 3.063 ( 8.084 -5.420 3.686) 10.408 3.271 ( 10.485 6.597 3.646) 12.913 3.337 ( 9.825 0.223 1.287) 9.911 3.500 ( 3.301 1.249 1.549) 3.854 3.538 ( 2.536 5.771 -1.350) 6.447 3.609 ( 3.492 -0.354 2.920) 4.566 3.761 ( 2.254 0.678 0.014) 2.354 3.816 ( 2.540 -1.655 -1.225) 3.269 3.943 ( 4.332 2.130 5.404) 7.246 3.978 ( -6.651 3.707 2.107) 7.900 4.059 ( 3.567 1.763 -3.065) 5.023 4.120 ( -1.739 -0.676 -6.571) 6.830 4.235 ( 1.929 -2.679 3.766) 5.008 4.629 ( -0.867 -0.220 -2.693) 2.838 4.847 ( -3.127 4.875 -2.069) 6.150 4.957 ( -5.418 6.931 -7.999) 11.890 4.959 ( 3.651 1.583 3.015) 4.993 4.980 ( 5.554 0.410 -0.027) 5.569 5.096 ( -1.440 -1.205 -3.881) 4.311 5.213 ( -4.271 0.179 -11.345) 12.124 5.324 ( -1.862 -7.145 7.271) 10.363 5.347 ( 1.269 -1.070 1.491) 2.231 5.439 ( -5.610 -2.273 0.565) 6.079 5.552 ( -4.019 -1.926 -0.805) 4.529 5.554 ( -4.554 -2.716 -6.957) 8.748 5.642 ( 4.819 -0.891 -10.895) 11.947 5.845 ( 6.586 4.322 8.896) 11.882 6.019 ( 2.506 2.043 7.529) 8.194 6.324 ( 4.152 0.284 3.073) 5.173 6.408 ( 6.771 -2.299 7.538) 10.390 7.790 ( 7.475 1.738 -1.590) 7.838 7.933 ( 11.360 -3.521 -3.393) 12.368 8.119 ( 2.032 5.615 0.105) 5.972 8.206 ( 5.595 5.535 2.858) 8.373 8.229 ( 7.356 4.490 -1.427) 8.735 8.273 ( 4.439 4.135 -0.826) 6.123 9.385 ( -3.317 -0.983 -3.568) 4.970 9.445 ( -2.176 -0.891 2.192) 3.215 9.697 ( -5.286 1.404 -8.313) 9.951 9.763 ( -4.532 0.414 11.136) 12.030 9.961 ( -8.761 -7.371 -12.115) 16.669 10.165 ( -3.148 -3.630 11.375) 12.348 10.368 ( -6.670 0.898 -3.917) 7.787 10.548 ( -7.565 -7.016 0.046) 10.317 10.607 ( -2.024 0.648 1.123) 2.404 10.688 ( -3.672 -1.768 3.044) 5.087 12.271 ( -6.143 -2.031 -0.002) 6.470 12.315 ( -4.871 -3.469 0.350) 5.990 12.642 ( -7.238 -3.069 1.078) 7.936 12.941 ( 8.834 -0.567 -0.687) 8.879 12.995 ( 6.541 2.687 0.147) 7.073 13.053 ( 2.591 6.322 -3.589) 7.718 13.609 ( -0.334 -1.529 -3.321) 3.671 13.918 ( 5.344 1.668 -4.018) 6.891 14.001 ( 1.167 1.544 4.399) 4.806 14.158 ( 5.124 2.479 2.023) 6.041 15.297 ( 1.745 0.999 -2.571) 3.264 15.313 ( 2.955 1.565 0.392) 3.367 15.724 ( -3.165 -0.404 5.308) 6.193 15.912 ( 1.193 -1.513 -0.998) 2.170 16.570 ( -3.904 -1.518 0.347) 4.203 16.621 ( -3.295 -1.645 -0.819) 3.773 20.436 ( -2.788 2.155 0.065) 3.525 20.478 ( -1.798 -0.640 -0.496) 1.972 20.601 ( -1.963 -1.068 2.140) 3.094 20.803 ( 4.379 -0.338 -6.864) 8.149 26.652 ( 1.442 0.985 1.835) 2.533 26.671 ( -0.018 -0.027 -0.028) 0.043 26.679 ( 0.989 0.524 0.757) 1.351 26.775 ( 4.474 -2.076 -3.239) 5.901 27.085 ( -4.095 5.659 1.243) 7.095 27.224 ( 1.102 0.940 -9.204) 9.317 28.387 ( -1.583 -2.507 0.203) 2.972 28.507 ( 1.611 -8.206 0.102) 8.364 28.580 ( -5.825 2.409 0.444) 6.320 28.647 ( -6.604 0.955 -1.155) 6.772 28.797 ( -7.867 -0.943 2.928) 8.447 29.235 ( -0.026 -1.567 -21.059) 21.117 31.008 ( 1.187 -0.969 -2.973) 3.345 31.152 ( 0.185 -1.703 4.389) 4.712 31.196 ( -1.752 -3.096 -4.084) 5.416 31.362 ( 8.892 4.039 31.820) 33.285 31.555 ( -7.878 0.487 7.595) 10.954 32.704 ( 23.916 7.755 -5.467) 25.729 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -15.710 -14.432 15.857) 26.581 1.786 ( -20.492 -20.606 -2.477) 29.166 2.517 ( -3.995 -2.246 -11.377) 12.266 2.582 ( -5.476 -4.327 -6.425) 9.486 2.757 ( 2.795 -0.336 3.009) 4.120 2.854 ( 0.989 -0.187 4.207) 4.326 3.176 ( 7.753 12.174 4.343) 15.073 3.255 ( 2.848 -0.999 4.308) 5.260 3.351 ( 4.537 8.362 -3.114) 10.010 3.457 ( 4.304 -0.395 -0.580) 4.361 3.479 ( 4.351 3.927 3.422) 6.787 3.657 ( 1.893 5.503 0.296) 5.827 3.776 ( -0.006 2.616 1.500) 3.016 3.833 ( -2.469 -0.840 1.667) 3.096 3.902 ( -1.415 -2.624 3.265) 4.421 3.994 ( 2.037 -0.549 6.348) 6.690 4.030 ( -0.437 1.721 -0.893) 1.987 4.117 ( 1.519 -3.710 -7.851) 8.816 4.313 ( 1.616 -1.848 1.104) 2.692 4.611 ( -2.147 0.424 -9.684) 9.929 4.665 ( -1.257 9.045 -8.309) 12.346 4.739 ( -3.896 3.720 -3.186) 6.258 4.914 ( -1.443 4.495 1.011) 4.828 4.985 ( 3.090 4.771 -2.467) 6.196 5.083 ( -2.108 0.868 -2.436) 3.336 5.145 ( -3.837 -3.835 -7.036) 8.884 5.392 ( -4.708 -0.588 -0.379) 4.760 5.425 ( -1.308 -2.605 4.489) 5.353 5.454 ( -2.950 -3.442 -3.587) 5.781 5.521 ( -1.562 -5.938 0.517) 6.162 5.631 ( 2.100 -4.831 -3.093) 6.109 5.744 ( 4.407 -6.614 4.627) 9.196 5.859 ( 8.845 6.300 9.921) 14.709 6.033 ( -0.411 -0.691 -0.766) 1.111 6.355 ( 6.580 4.627 3.293) 8.692 6.466 ( 0.974 4.229 7.094) 8.316 7.756 ( 3.007 6.507 -2.208) 7.500 8.015 ( 3.248 7.717 2.017) 8.612 8.091 ( 9.117 -1.482 -3.781) 9.981 8.160 ( 5.821 5.716 1.241) 8.252 8.241 ( 6.878 3.814 1.314) 7.973 8.283 ( 6.989 1.073 -0.847) 7.122 9.353 ( -3.402 -1.059 -3.729) 5.157 9.442 ( -2.278 -0.826 1.702) 2.961 9.611 ( -3.800 -0.646 -7.853) 8.748 9.781 ( -3.473 -1.059 14.839) 15.277 9.959 ( -7.980 -7.975 -15.094) 18.845 10.204 ( -3.707 -1.033 11.293) 11.931 10.348 ( -2.775 -4.390 -5.573) 7.618 10.589 ( -4.179 -3.275 -2.802) 6.004 10.617 ( -4.251 -5.918 4.627) 8.632 10.676 ( -4.290 -1.408 0.932) 4.611 12.232 ( -6.052 -1.585 -0.576) 6.282 12.318 ( -6.252 -2.644 1.309) 6.913 12.676 ( -4.661 -6.608 1.771) 8.278 12.933 ( 3.379 7.713 -2.209) 8.706 13.007 ( 5.758 2.715 0.080) 6.366 13.055 ( 6.422 -2.374 -3.194) 7.555 13.641 ( 0.642 -2.891 -1.748) 3.439 13.888 ( 1.731 3.340 -3.268) 4.983 14.001 ( 3.140 3.097 2.412) 5.027 14.166 ( 4.280 3.105 2.317) 5.773 15.280 ( 1.812 2.132 -1.626) 3.236 15.305 ( 2.574 2.613 -0.158) 3.671 15.724 ( -2.473 -0.367 5.163) 5.737 15.951 ( 0.721 -1.952 -0.962) 2.293 16.571 ( -3.183 -2.512 0.440) 4.079 16.623 ( -3.014 -2.658 -0.947) 4.129 20.374 ( -1.708 1.656 0.717) 2.485 20.476 ( -1.540 -1.295 -0.338) 2.040 20.606 ( -2.686 -1.328 0.450) 3.030 20.813 ( 3.238 0.627 -6.388) 7.189 26.655 ( 0.807 0.722 1.432) 1.795 26.671 ( -0.020 -0.078 -0.058) 0.100 26.690 ( 2.307 0.565 1.963) 3.081 26.832 ( 2.513 -0.940 -2.614) 3.746 26.952 ( -4.402 3.675 -0.771) 5.786 27.186 ( 2.509 1.186 -8.874) 9.298 28.369 ( -3.859 2.150 0.898) 4.508 28.489 ( -4.256 1.248 -3.178) 5.456 28.544 ( -6.184 -0.266 1.648) 6.405 28.690 ( 1.042 -8.995 -0.636) 9.077 28.801 ( -5.039 -4.981 3.942) 8.108 29.202 ( -0.625 -3.978 -18.743) 19.171 31.049 ( 2.650 -2.341 -0.757) 3.616 31.190 ( -2.975 -3.156 -1.537) 4.601 31.223 ( -3.291 -3.639 -3.588) 6.078 31.383 ( -0.962 3.953 15.090) 15.629 31.621 ( 7.823 4.626 27.214) 28.691 32.693 ( 19.251 15.800 -7.031) 25.878 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -27.569 -0.000 3.396) 27.777 1.411 ( -19.347 -0.000 16.117) 25.180 2.458 ( -4.917 -0.000 -12.408) 13.347 2.531 ( -5.742 -0.000 -13.895) 15.034 2.609 ( -29.191 -0.000 33.899) 44.735 2.997 ( 19.145 0.000 -1.210) 19.184 3.103 ( 9.318 0.000 0.999) 9.372 3.373 ( 5.485 0.000 -3.584) 6.552 3.479 ( 8.890 0.000 3.270) 9.472 3.579 ( 5.758 0.000 5.871) 8.224 3.625 ( -0.440 -0.000 0.282) 0.523 3.636 ( 4.570 0.000 5.761) 7.353 3.804 ( 3.185 0.000 -3.432) 4.682 3.812 ( 4.252 0.000 0.161) 4.255 3.962 ( -1.655 -0.000 -0.960) 1.913 4.033 ( -3.306 -0.000 -4.822) 5.847 4.063 ( 3.626 0.000 -0.326) 3.640 4.104 ( 3.571 0.000 -6.976) 7.837 4.239 ( 0.606 0.000 4.451) 4.492 4.608 ( -0.605 -0.000 -5.802) 5.833 4.830 ( -4.679 -0.000 -3.952) 6.125 4.937 ( -3.180 -0.000 -7.582) 8.222 4.995 ( -0.869 -0.000 -2.275) 2.435 5.008 ( -8.368 -0.000 -17.387) 19.296 5.049 ( 0.374 0.000 6.164) 6.176 5.177 ( 1.488 0.000 -3.188) 3.519 5.270 ( 1.121 0.000 12.541) 12.591 5.336 ( -4.106 -0.000 1.854) 4.505 5.346 ( -5.491 -0.000 -3.155) 6.333 5.414 ( -2.202 -0.000 -20.002) 20.123 5.499 ( -6.611 -0.000 7.897) 10.299 5.558 ( -1.665 -0.000 -12.608) 12.717 5.995 ( 6.699 0.000 7.923) 10.376 6.071 ( -5.411 -0.000 8.132) 9.768 6.460 ( 13.011 0.000 12.263) 17.879 6.622 ( 27.704 0.000 11.991) 30.188 7.893 ( 9.772 0.000 -2.996) 10.221 7.999 ( 11.336 0.000 -4.289) 12.121 8.196 ( 2.359 0.000 -0.562) 2.425 8.331 ( 3.786 0.000 4.028) 5.528 8.354 ( 7.454 0.000 -0.137) 7.455 8.359 ( 9.357 0.000 -2.778) 9.760 9.323 ( -4.071 -0.000 -3.030) 5.075 9.417 ( -3.115 -0.000 1.826) 3.611 9.630 ( -4.893 -0.000 -12.956) 13.849 9.694 ( -10.048 -0.000 -3.608) 10.676 9.796 ( -5.785 -0.000 7.676) 9.612 10.134 ( -2.865 -0.000 9.851) 10.259 10.321 ( -9.461 -0.000 -1.845) 9.640 10.355 ( -8.227 -0.000 0.993) 8.286 10.567 ( -5.212 -0.000 -1.641) 5.464 10.663 ( -3.699 -0.000 4.667) 5.955 12.202 ( -5.130 -0.000 0.924) 5.213 12.237 ( -4.100 -0.000 -0.783) 4.175 12.507 ( -12.548 -0.000 1.744) 12.668 12.973 ( -0.372 -0.000 -6.956) 6.966 13.094 ( 7.442 0.000 0.242) 7.446 13.116 ( 3.045 0.000 -3.231) 4.440 13.585 ( 1.240 0.000 -3.226) 3.456 13.967 ( 4.281 0.000 -6.674) 7.929 14.045 ( 1.645 0.000 5.976) 6.199 14.248 ( 5.714 0.000 2.304) 6.161 15.330 ( 4.218 0.000 -0.998) 4.334 15.371 ( 4.412 0.000 0.472) 4.437 15.723 ( -1.245 -0.000 5.954) 6.083 15.900 ( 0.119 0.000 -0.667) 0.678 16.521 ( -3.166 -0.000 0.315) 3.182 16.563 ( -3.899 -0.000 -1.308) 4.112 20.426 ( -2.957 -0.000 -2.322) 3.760 20.445 ( -2.722 -0.000 1.387) 3.055 20.585 ( -1.759 -0.000 2.511) 3.066 20.782 ( 0.199 0.000 -11.042) 11.044 26.667 ( 0.111 0.000 0.182) 0.213 26.670 ( -0.041 -0.000 -0.055) 0.068 26.725 ( 3.611 0.000 1.283) 3.832 26.787 ( 4.778 0.000 -2.434) 5.363 27.135 ( -3.979 -0.000 -15.036) 15.554 27.141 ( -3.016 -0.000 2.808) 4.121 28.369 ( 0.112 0.000 -1.321) 1.326 28.421 ( 0.558 0.000 0.858) 1.023 28.561 ( -5.654 -0.000 1.005) 5.743 28.587 ( -5.667 -0.000 -2.453) 6.175 28.694 ( -10.613 -0.000 2.390) 10.879 29.062 ( -10.361 -0.000 -20.647) 23.101 31.004 ( 1.406 0.000 -0.692) 1.567 31.123 ( -1.967 -0.000 -0.353) 1.998 31.143 ( -1.070 -0.000 -2.934) 3.123 31.428 ( -9.227 -0.000 3.425) 9.842 31.858 ( 30.086 0.000 47.106) 55.894 33.005 ( 24.293 0.000 -5.311) 24.867 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -14.528 -14.539 15.780) 25.913 1.398 ( -14.548 -8.746 24.518) 29.821 2.377 ( -3.258 -1.307 -17.642) 17.988 2.428 ( -5.235 -2.470 -10.283) 11.800 2.572 ( -22.383 -11.401 31.666) 40.419 3.059 ( 14.954 7.654 -0.889) 16.822 3.280 ( 9.682 -2.625 2.061) 10.241 3.412 ( 1.383 -1.014 -4.464) 4.782 3.492 ( 7.318 7.366 1.982) 10.571 3.523 ( 0.957 8.121 -0.542) 8.195 3.631 ( 5.116 3.919 4.883) 8.086 3.724 ( 2.291 -0.282 0.142) 2.313 3.830 ( -2.344 4.939 0.156) 5.469 3.837 ( 2.891 -1.388 2.791) 4.251 3.907 ( 2.630 0.827 -2.326) 3.607 4.010 ( -1.646 -2.106 -2.875) 3.926 4.064 ( 1.879 3.267 2.448) 4.494 4.096 ( 2.466 1.560 -4.459) 5.329 4.275 ( -1.814 -2.956 0.245) 3.477 4.541 ( -2.826 1.141 -20.543) 20.768 4.715 ( -3.701 3.798 -6.141) 8.114 4.786 ( -2.709 6.424 -6.386) 9.454 4.897 ( -6.439 -4.487 -9.073) 11.996 4.990 ( 0.085 0.513 0.651) 0.833 5.078 ( -0.113 -0.150 6.019) 6.022 5.108 ( -4.296 3.895 -6.721) 8.876 5.267 ( -9.190 -5.138 -8.525) 13.548 5.322 ( -0.092 -3.029 -6.253) 6.949 5.379 ( -3.971 -3.546 8.345) 9.898 5.426 ( -1.942 -3.767 1.415) 4.468 5.504 ( -0.051 -6.821 -3.415) 7.628 5.601 ( 0.951 -7.807 -0.156) 7.866 6.012 ( -4.597 1.452 3.832) 6.159 6.080 ( 3.541 -0.189 8.451) 9.164 6.603 ( 16.415 9.649 15.676) 24.663 6.853 ( 27.706 15.572 10.251) 33.395 7.895 ( 3.419 6.249 -3.326) 7.862 8.124 ( 9.826 -2.748 -6.203) 11.940 8.196 ( 6.560 4.818 2.493) 8.513 8.323 ( 3.993 4.403 2.649) 6.508 8.396 ( 8.453 5.331 -2.017) 10.195 8.412 ( 8.002 3.448 1.601) 8.859 9.285 ( -3.433 -1.223 -2.539) 4.442 9.399 ( -3.289 -1.373 0.328) 3.579 9.519 ( -4.558 -0.565 -8.163) 9.366 9.657 ( -10.024 -8.128 -11.290) 17.147 9.785 ( -4.531 0.100 13.847) 14.570 10.179 ( -3.905 -1.999 10.236) 11.137 10.219 ( -4.353 -3.425 -3.532) 6.569 10.385 ( -7.405 -8.256 0.685) 11.111 10.517 ( -5.893 -1.921 -1.949) 6.497 10.636 ( -4.340 -0.816 2.384) 5.018 12.146 ( -5.491 -0.638 -0.832) 5.591 12.230 ( -3.871 -2.157 1.413) 4.652 12.457 ( -11.451 -8.362 1.893) 14.305 12.907 ( -10.087 -5.985 -12.914) 17.445 13.124 ( 6.631 3.902 -0.097) 7.695 13.137 ( 6.340 3.423 0.183) 7.207 13.607 ( 2.102 -1.522 -1.816) 3.167 13.944 ( 1.790 2.556 -6.734) 7.422 14.085 ( 2.845 1.290 5.424) 6.259 14.280 ( 4.444 3.248 1.820) 5.797 15.355 ( 5.262 2.950 -0.093) 6.033 15.392 ( 4.025 2.815 0.296) 4.921 15.736 ( 0.230 0.832 5.741) 5.806 15.914 ( -0.347 -1.820 -0.396) 1.895 16.507 ( -2.242 -1.363 0.318) 2.643 16.539 ( -3.290 -2.128 -1.370) 4.151 20.380 ( -1.550 0.695 -1.030) 1.987 20.433 ( -2.618 -1.124 0.752) 2.946 20.565 ( -3.367 0.158 0.632) 3.429 20.760 ( -2.175 -4.140 -10.798) 11.767 26.666 ( 0.049 0.169 0.102) 0.204 26.670 ( -0.052 -0.030 -0.067) 0.090 26.754 ( 4.347 1.073 0.882) 4.564 26.836 ( 3.281 -0.630 -1.678) 3.739 26.958 ( -6.641 4.344 -5.254) 9.517 27.156 ( -0.999 -1.888 -6.825) 7.151 28.355 ( -1.846 -0.151 -0.414) 1.898 28.463 ( -4.135 2.092 -1.564) 4.891 28.506 ( -6.053 2.218 1.368) 6.590 28.532 ( 0.583 -8.925 -0.893) 8.988 28.652 ( -7.677 -5.543 0.901) 9.511 28.951 ( -11.032 -8.462 -14.391) 20.010 31.031 ( 1.124 -1.627 0.328) 2.005 31.106 ( -2.202 -1.146 -2.878) 3.801 31.148 ( -0.831 -2.079 -1.063) 2.478 31.358 ( -6.677 -0.750 2.643) 7.220 32.239 ( 32.712 17.822 43.322) 57.136 33.117 ( 20.306 11.369 -5.689) 23.957 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.826 0.000 36.968) 36.978 1.307 ( -9.219 -0.000 31.163) 32.498 2.273 ( -1.775 -0.000 -17.750) 17.839 2.308 ( -1.022 -0.000 -22.706) 22.729 2.349 ( -25.402 -0.000 49.980) 56.065 3.308 ( 8.758 0.000 2.546) 9.121 3.321 ( 11.606 0.000 -2.394) 11.851 3.387 ( -0.532 -0.000 -1.879) 1.953 3.556 ( 0.838 0.000 -2.880) 3.000 3.709 ( 2.292 0.000 2.031) 3.062 3.717 ( 6.003 0.000 2.118) 6.366 3.745 ( 3.937 0.000 4.228) 5.778 3.877 ( 1.042 0.000 2.711) 2.904 3.892 ( 2.055 0.000 -5.893) 6.241 3.916 ( 1.003 0.000 1.539) 1.837 3.925 ( -2.011 -0.000 -5.495) 5.851 4.105 ( -0.411 -0.000 -2.709) 2.740 4.139 ( 2.313 0.000 0.294) 2.332 4.210 ( -3.208 -0.000 1.759) 3.658 4.377 ( -8.432 -0.000 -41.033) 41.891 4.713 ( -2.347 -0.000 -7.479) 7.839 4.730 ( -4.489 -0.000 -1.662) 4.787 4.810 ( -4.078 -0.000 -2.580) 4.826 4.993 ( 0.732 0.000 -6.957) 6.995 5.040 ( -6.111 -0.000 -4.486) 7.581 5.098 ( -1.641 -0.000 -4.940) 5.205 5.118 ( -3.647 -0.000 9.556) 10.228 5.228 ( -3.837 -0.000 -10.446) 11.128 5.293 ( -3.711 -0.000 3.741) 5.270 5.385 ( -4.942 -0.000 3.677) 6.159 5.432 ( -2.152 -0.000 10.333) 10.555 5.590 ( 8.322 0.000 -3.877) 9.181 5.998 ( -6.181 -0.000 7.201) 9.490 6.084 ( -0.196 -0.000 1.582) 1.594 7.016 ( 21.085 0.000 26.249) 33.669 7.453 ( 42.629 0.000 4.619) 42.878 7.989 ( 3.298 0.000 -5.183) 6.144 8.142 ( 6.175 0.000 -7.267) 9.536 8.318 ( 7.499 0.000 2.633) 7.947 8.406 ( 2.499 0.000 1.998) 3.200 8.525 ( 6.445 0.000 1.357) 6.587 8.537 ( 8.229 0.000 -1.432) 8.353 9.229 ( -2.748 -0.000 -1.669) 3.215 9.340 ( -3.621 -0.000 -3.944) 5.354 9.442 ( -7.559 -0.000 -4.512) 8.803 9.458 ( -2.990 -0.000 -7.020) 7.630 9.808 ( -3.869 -0.000 13.789) 14.322 10.122 ( -5.722 -0.000 -2.380) 6.197 10.162 ( -3.845 -0.000 9.261) 10.028 10.224 ( -5.283 -0.000 2.465) 5.830 10.429 ( -5.667 -0.000 -3.478) 6.649 10.561 ( -7.712 -0.000 -2.388) 8.073 12.101 ( -5.543 -0.000 0.252) 5.549 12.155 ( -3.287 -0.000 -0.883) 3.404 12.266 ( -10.056 -0.000 1.235) 10.131 12.542 ( -28.041 -0.000 -12.562) 30.726 13.224 ( 5.177 0.000 -0.044) 5.177 13.229 ( 4.950 0.000 0.131) 4.952 13.617 ( 3.153 0.000 -0.401) 3.179 13.943 ( -0.054 -0.000 -9.222) 9.222 14.155 ( 3.281 0.000 7.547) 8.230 14.357 ( 3.037 0.000 0.750) 3.128 15.451 ( 5.913 0.000 -0.437) 5.929 15.461 ( 3.382 0.000 0.388) 3.404 15.800 ( 4.667 0.000 4.228) 6.297 15.890 ( -0.674 -0.000 0.146) 0.690 16.483 ( -0.793 -0.000 0.271) 0.838 16.490 ( -1.591 -0.000 -0.786) 1.775 20.360 ( -1.331 -0.000 -2.044) 2.440 20.397 ( -2.845 -0.000 0.324) 2.864 20.552 ( -3.108 -0.000 1.240) 3.346 20.579 ( -9.816 -0.000 -8.096) 12.723 26.668 ( -0.026 -0.000 0.046) 0.053 26.669 ( -0.061 -0.000 -0.117) 0.132 26.796 ( 2.838 0.000 -1.288) 3.117 26.860 ( 0.371 0.000 -3.963) 3.980 26.906 ( -3.952 -0.000 -4.166) 5.742 27.092 ( -3.113 -0.000 0.477) 3.149 28.336 ( -2.122 -0.000 -2.516) 3.291 28.434 ( -0.090 -0.000 0.786) 0.791 28.460 ( -3.086 -0.000 -0.464) 3.121 28.485 ( -4.579 -0.000 0.647) 4.625 28.495 ( -7.089 -0.000 -1.107) 7.174 28.687 ( -13.268 -0.000 -2.955) 13.593 31.024 ( -0.174 -0.000 0.657) 0.680 31.071 ( -2.006 -0.000 -1.240) 2.359 31.130 ( 1.954 0.000 -1.147) 2.265 31.293 ( -5.634 -0.000 0.921) 5.709 33.001 ( 42.549 0.000 26.059) 49.895 33.403 ( 17.119 0.000 -3.132) 17.403 =================== 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 3/28800 10.0 2134.658 2639.640 2113.712 -0.000 -41.289 -0.000 3/28800 20.0 351.928 360.275 464.100 -0.000 22.754 -0.000 3/28800 30.0 86.636 86.594 117.109 -0.000 7.631 -0.000 3/28800 40.0 36.944 36.642 50.634 0.000 3.586 -0.000 3/28800 50.0 21.243 20.984 29.478 0.000 2.159 -0.000 3/28800 60.0 14.412 14.196 20.201 0.000 1.503 -0.000 3/28800 70.0 10.789 10.604 15.236 0.000 1.142 -0.000 3/28800 80.0 8.601 8.439 12.211 0.000 0.919 -0.000 3/28800 90.0 7.156 7.012 10.196 0.000 0.768 -0.000 3/28800 100.0 6.138 6.008 8.766 0.000 0.660 -0.000 3/28800 110.0 5.384 5.266 7.700 0.000 0.579 -0.000 3/28800 120.0 4.805 4.696 6.876 0.000 0.516 -0.000 3/28800 130.0 4.345 4.245 6.220 0.000 0.465 -0.000 3/28800 140.0 3.972 3.878 5.685 0.000 0.424 -0.000 3/28800 150.0 3.662 3.574 5.240 0.000 0.389 -0.000 3/28800 160.0 3.401 3.318 4.865 0.000 0.360 -0.000 3/28800 170.0 3.178 3.099 4.544 0.000 0.335 -0.000 3/28800 180.0 2.984 2.910 4.265 0.000 0.313 -0.000 3/28800 190.0 2.815 2.744 4.022 0.000 0.294 -0.000 3/28800 200.0 2.666 2.597 3.808 0.000 0.277 -0.000 3/28800 210.0 2.533 2.467 3.618 0.000 0.262 -0.000 3/28800 220.0 2.414 2.350 3.448 0.000 0.248 -0.000 3/28800 230.0 2.307 2.245 3.295 0.000 0.236 -0.000 3/28800 240.0 2.209 2.150 3.157 0.000 0.225 -0.000 3/28800 250.0 2.121 2.063 3.031 0.000 0.215 -0.000 3/28800 260.0 2.040 1.984 2.917 0.000 0.205 -0.000 3/28800 270.0 1.966 1.911 2.812 0.000 0.196 -0.000 3/28800 280.0 1.897 1.844 2.716 0.000 0.188 -0.000 3/28800 290.0 1.834 1.781 2.627 0.000 0.181 -0.000 3/28800 300.0 1.775 1.724 2.544 0.000 0.174 -0.000 3/28800 310.0 1.720 1.670 2.467 0.000 0.168 -0.000 3/28800 320.0 1.669 1.620 2.396 0.000 0.162 -0.000 3/28800 330.0 1.621 1.573 2.329 0.000 0.156 -0.000 3/28800 340.0 1.576 1.528 2.266 0.000 0.151 -0.000 3/28800 350.0 1.534 1.487 2.207 0.000 0.146 -0.000 3/28800 360.0 1.494 1.448 2.151 0.000 0.141 -0.000 3/28800 370.0 1.457 1.411 2.099 0.000 0.137 -0.000 3/28800 380.0 1.421 1.376 2.049 -0.000 0.132 -0.000 3/28800 390.0 1.387 1.343 2.002 -0.000 0.128 -0.000 3/28800 400.0 1.355 1.311 1.957 -0.000 0.125 -0.000 3/28800 410.0 1.325 1.281 1.915 -0.000 0.121 -0.000 3/28800 420.0 1.295 1.253 1.874 -0.000 0.118 -0.000 3/28800 430.0 1.268 1.226 1.835 -0.000 0.115 -0.000 3/28800 440.0 1.241 1.200 1.798 -0.000 0.112 -0.000 3/28800 450.0 1.216 1.175 1.763 -0.000 0.109 -0.000 3/28800 460.0 1.191 1.151 1.729 -0.000 0.106 -0.000 3/28800 470.0 1.168 1.128 1.696 -0.000 0.103 -0.000 3/28800 480.0 1.146 1.106 1.665 -0.000 0.101 -0.000 3/28800 490.0 1.124 1.085 1.634 -0.000 0.099 -0.000 3/28800 500.0 1.104 1.065 1.605 -0.000 0.096 -0.000 3/28800 510.0 1.084 1.046 1.577 -0.000 0.094 -0.000 3/28800 520.0 1.065 1.027 1.550 -0.000 0.092 -0.000 3/28800 530.0 1.046 1.009 1.524 -0.000 0.090 -0.000 3/28800 540.0 1.028 0.991 1.499 -0.000 0.088 -0.000 3/28800 550.0 1.011 0.975 1.475 -0.000 0.086 -0.000 3/28800 560.0 0.994 0.958 1.451 -0.000 0.085 -0.000 3/28800 570.0 0.978 0.943 1.429 -0.000 0.083 -0.000 3/28800 580.0 0.963 0.927 1.406 -0.000 0.081 -0.000 3/28800 590.0 0.948 0.913 1.385 -0.000 0.080 -0.000 3/28800 600.0 0.933 0.899 1.364 -0.000 0.078 -0.000 3/28800 610.0 0.919 0.885 1.344 -0.000 0.077 -0.000 3/28800 620.0 0.905 0.871 1.325 -0.000 0.075 -0.000 3/28800 630.0 0.892 0.858 1.306 -0.000 0.074 -0.000 3/28800 640.0 0.879 0.846 1.287 -0.000 0.073 -0.000 3/28800 650.0 0.866 0.834 1.269 -0.000 0.071 -0.000 3/28800 660.0 0.854 0.822 1.252 -0.000 0.070 -0.000 3/28800 670.0 0.842 0.810 1.235 -0.000 0.069 -0.000 3/28800 680.0 0.831 0.799 1.219 -0.000 0.068 -0.000 3/28800 690.0 0.819 0.788 1.203 -0.000 0.067 -0.000 3/28800 700.0 0.809 0.777 1.187 -0.000 0.066 -0.000 3/28800 710.0 0.798 0.767 1.172 -0.000 0.065 -0.000 3/28800 720.0 0.788 0.757 1.157 -0.000 0.064 -0.000 3/28800 730.0 0.777 0.747 1.142 -0.000 0.063 -0.000 3/28800 740.0 0.768 0.738 1.128 -0.000 0.062 -0.000 3/28800 750.0 0.758 0.728 1.114 -0.000 0.061 -0.000 3/28800 760.0 0.749 0.719 1.101 -0.000 0.060 -0.000 3/28800 770.0 0.740 0.711 1.088 -0.000 0.059 -0.000 3/28800 780.0 0.731 0.702 1.075 -0.000 0.058 -0.000 3/28800 790.0 0.722 0.693 1.062 -0.000 0.057 -0.000 3/28800 800.0 0.713 0.685 1.050 -0.000 0.057 -0.000 3/28800 810.0 0.705 0.677 1.038 -0.000 0.056 -0.000 3/28800 820.0 0.697 0.669 1.026 -0.000 0.055 -0.000 3/28800 830.0 0.689 0.662 1.015 -0.000 0.054 -0.000 3/28800 840.0 0.681 0.654 1.004 -0.000 0.054 -0.000 3/28800 850.0 0.674 0.647 0.993 -0.000 0.053 -0.000 3/28800 860.0 0.666 0.640 0.982 -0.000 0.052 -0.000 3/28800 870.0 0.659 0.633 0.972 -0.000 0.052 -0.000 3/28800 880.0 0.652 0.626 0.961 -0.000 0.051 -0.000 3/28800 890.0 0.645 0.619 0.951 -0.000 0.050 -0.000 3/28800 900.0 0.638 0.612 0.941 -0.000 0.050 -0.000 3/28800 910.0 0.631 0.606 0.932 -0.000 0.049 -0.000 3/28800 920.0 0.625 0.600 0.922 -0.000 0.049 -0.000 3/28800 930.0 0.619 0.594 0.913 -0.000 0.048 -0.000 3/28800 940.0 0.612 0.587 0.904 -0.000 0.047 -0.000 3/28800 950.0 0.606 0.582 0.895 -0.000 0.047 -0.000 3/28800 960.0 0.600 0.576 0.886 -0.000 0.046 -0.000 3/28800 970.0 0.594 0.570 0.878 -0.000 0.046 -0.000 3/28800 980.0 0.588 0.564 0.869 -0.000 0.045 -0.000 3/28800 990.0 0.583 0.559 0.861 -0.000 0.045 -0.000 3/28800 1000.0 0.577 0.554 0.853 -0.000 0.044 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:04:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|