----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:53:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.938539781992665 0.000000000000000 0.000000000000000 b 0.000000000000000 5.002161469999999 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): *1 B 0.18461529935338 0.14545650518117 0.45069610959746 10.811 2 B 0.81538470064662 0.14545650518117 0.04930389040254 10.811 3 B 0.81538470064662 0.85454349481883 0.54930389040254 10.811 4 B 0.18461529935338 0.85454349481883 0.95069610959746 10.811 *5 B 0.50000000000000 0.65095715887581 0.75000000000000 10.811 6 B 0.50000000000000 0.34904284112419 0.25000000000000 10.811 *7 O 0.25925545084839 0.88775811472393 0.43269181239234 15.999 8 O 0.74074454915161 0.88775811472393 0.06730818760766 15.999 *9 O 0.96765723917885 0.76128996119826 0.61008463553738 15.999 10 O 0.03234276082115 0.76128996119826 0.88991536446262 15.999 *11 O 0.40948610053971 0.21143055306764 0.16618756448590 15.999 12 O 0.59051389946029 0.21143055306764 0.33381243551410 15.999 13 O 0.59051389946029 0.78856944693236 0.83381243551410 15.999 14 O 0.40948610053971 0.78856944693236 0.66618756448590 15.999 *15 O 0.50000000000000 0.62596830221878 0.25000000000000 15.999 16 O 0.50000000000000 0.37403169778121 0.75000000000000 15.999 *17 O 0.27352624742928 0.70823593855506 0.03432817288930 15.999 18 O 0.72647375257072 0.70823593855506 0.46567182711070 15.999 19 O 0.72647375257072 0.29176406144494 0.96567182711070 15.999 20 O 0.27352624742928 0.29176406144494 0.53432817288930 15.999 21 O 0.25925545084839 0.11224188527607 0.93269181239234 15.999 22 O 0.74074454915161 0.11224188527607 0.56730818760766 15.999 23 O 0.96765723917885 0.23871003880174 0.11008463553738 15.999 24 O 0.03234276082115 0.23871003880174 0.38991536446262 15.999 *25 K 0.00000000000000 0.20224699156835 0.75000000000000 39.098 26 K 0.00000000000000 0.79775300843165 0.25000000000000 39.098 *27 Zn 0.48698064274978 0.14750591958127 0.62291584743236 65.380 28 Zn 0.51301935725022 0.14750591958127 0.87708415256764 65.380 29 Zn 0.51301935725022 0.85249408041873 0.37708415256764 65.380 30 Zn 0.48698064274978 0.85249408041873 0.12291584743236 65.380 *31 Zn 0.20971408711467 0.66045112242943 0.55867827292064 65.380 32 Zn 0.79028591288533 0.66045112242943 0.94132172707936 65.380 33 Zn 0.79028591288533 0.33954887757057 0.44132172707936 65.380 34 Zn 0.20971408711467 0.33954887757057 0.05867827292064 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.938539781992665 0.000000000000000 0.000000000000000 b 0.000000000000000 5.002161469999999 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): *1 B 0.18461529935338 0.14545650518117 0.45069610959746 10.811 > 1 2 B 0.81538470064662 0.14545650518117 0.04930389040254 10.811 > 2 3 B 0.81538470064662 0.85454349481883 0.54930389040254 10.811 > 3 4 B 0.18461529935338 0.85454349481883 0.95069610959746 10.811 > 4 *5 B 0.50000000000000 0.65095715887581 0.75000000000000 10.811 > 5 6 B 0.50000000000000 0.34904284112419 0.25000000000000 10.811 > 6 *7 O 0.25925545084839 0.88775811472393 0.43269181239234 15.999 > 7 8 O 0.74074454915161 0.88775811472393 0.06730818760766 15.999 > 8 *9 O 0.96765723917885 0.76128996119826 0.61008463553738 15.999 > 9 10 O 0.03234276082115 0.76128996119826 0.88991536446262 15.999 > 10 *11 O 0.40948610053971 0.21143055306764 0.16618756448590 15.999 > 11 12 O 0.59051389946029 0.21143055306764 0.33381243551410 15.999 > 12 13 O 0.59051389946029 0.78856944693236 0.83381243551410 15.999 > 13 14 O 0.40948610053971 0.78856944693236 0.66618756448590 15.999 > 14 *15 O 0.50000000000000 0.62596830221878 0.25000000000000 15.999 > 15 16 O 0.50000000000000 0.37403169778121 0.75000000000000 15.999 > 16 *17 O 0.27352624742928 0.70823593855506 0.03432817288930 15.999 > 17 18 O 0.72647375257072 0.70823593855506 0.46567182711070 15.999 > 18 19 O 0.72647375257072 0.29176406144494 0.96567182711070 15.999 > 19 20 O 0.27352624742928 0.29176406144494 0.53432817288930 15.999 > 20 21 O 0.25925545084839 0.11224188527607 0.93269181239234 15.999 > 21 22 O 0.74074454915161 0.11224188527607 0.56730818760766 15.999 > 22 23 O 0.96765723917885 0.23871003880174 0.11008463553738 15.999 > 23 24 O 0.03234276082115 0.23871003880174 0.38991536446262 15.999 > 24 *25 K 0.00000000000000 0.20224699156835 0.75000000000000 39.098 > 25 26 K 0.00000000000000 0.79775300843165 0.25000000000000 39.098 > 26 *27 Zn 0.48698064274978 0.14750591958127 0.62291584743236 65.380 > 27 28 Zn 0.51301935725022 0.14750591958127 0.87708415256764 65.380 > 28 29 Zn 0.51301935725022 0.85249408041873 0.37708415256764 65.380 > 29 30 Zn 0.48698064274978 0.85249408041873 0.12291584743236 65.380 > 30 *31 Zn 0.20971408711467 0.66045112242943 0.55867827292064 65.380 > 31 32 Zn 0.79028591288533 0.66045112242943 0.94132172707936 65.380 > 32 33 Zn 0.79028591288533 0.33954887757057 0.44132172707936 65.380 > 33 34 Zn 0.20971408711467 0.33954887757057 0.05867827292064 65.380 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.877079563985330 0.000000000000000 0.000000000000000 b 0.000000000000000 10.004322939999998 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): *1 B 0.09230764967669 0.07272825259059 0.45069610959746 10.811 > 1 2 B 0.59230764967669 0.07272825259059 0.45069610959746 10.811 > 1 3 B 0.09230764967669 0.57272825259059 0.45069610959746 10.811 > 1 4 B 0.59230764967669 0.57272825259059 0.45069610959746 10.811 > 1 5 B 0.40769235032331 0.07272825259059 0.04930389040254 10.811 > 2 6 B 0.90769235032331 0.07272825259059 0.04930389040254 10.811 > 2 7 B 0.40769235032331 0.57272825259059 0.04930389040254 10.811 > 2 8 B 0.90769235032331 0.57272825259059 0.04930389040254 10.811 > 2 9 B 0.40769235032331 0.42727174740941 0.54930389040254 10.811 > 3 10 B 0.90769235032331 0.42727174740941 0.54930389040254 10.811 > 3 11 B 0.40769235032331 0.92727174740941 0.54930389040254 10.811 > 3 12 B 0.90769235032331 0.92727174740941 0.54930389040254 10.811 > 3 13 B 0.09230764967669 0.42727174740941 0.95069610959746 10.811 > 4 14 B 0.59230764967669 0.42727174740941 0.95069610959746 10.811 > 4 15 B 0.09230764967669 0.92727174740941 0.95069610959746 10.811 > 4 16 B 0.59230764967669 0.92727174740941 0.95069610959746 10.811 > 4 *17 B 0.25000000000000 0.32547857943791 0.75000000000000 10.811 > 5 18 B 0.75000000000000 0.32547857943791 0.75000000000000 10.811 > 5 19 B 0.25000000000000 0.82547857943791 0.75000000000000 10.811 > 5 20 B 0.75000000000000 0.82547857943791 0.75000000000000 10.811 > 5 21 B 0.25000000000000 0.17452142056209 0.25000000000000 10.811 > 6 22 B 0.75000000000000 0.17452142056209 0.25000000000000 10.811 > 6 23 B 0.25000000000000 0.67452142056209 0.25000000000000 10.811 > 6 24 B 0.75000000000000 0.67452142056209 0.25000000000000 10.811 > 6 *25 O 0.12962772542419 0.44387905736197 0.43269181239234 15.999 > 7 26 O 0.62962772542419 0.44387905736197 0.43269181239234 15.999 > 7 27 O 0.12962772542419 0.94387905736197 0.43269181239234 15.999 > 7 28 O 0.62962772542419 0.94387905736197 0.43269181239234 15.999 > 7 29 O 0.37037227457581 0.44387905736197 0.06730818760766 15.999 > 8 30 O 0.87037227457581 0.44387905736197 0.06730818760766 15.999 > 8 31 O 0.37037227457581 0.94387905736197 0.06730818760766 15.999 > 8 32 O 0.87037227457581 0.94387905736197 0.06730818760766 15.999 > 8 *33 O 0.48382861958943 0.38064498059913 0.61008463553738 15.999 > 9 34 O 0.98382861958943 0.38064498059913 0.61008463553738 15.999 > 9 35 O 0.48382861958943 0.88064498059913 0.61008463553738 15.999 > 9 36 O 0.98382861958943 0.88064498059913 0.61008463553738 15.999 > 9 37 O 0.01617138041057 0.38064498059913 0.88991536446262 15.999 > 10 38 O 0.51617138041057 0.38064498059913 0.88991536446262 15.999 > 10 39 O 0.01617138041057 0.88064498059913 0.88991536446262 15.999 > 10 40 O 0.51617138041057 0.88064498059913 0.88991536446262 15.999 > 10 *41 O 0.20474305026985 0.10571527653382 0.16618756448590 15.999 > 11 42 O 0.70474305026985 0.10571527653382 0.16618756448590 15.999 > 11 43 O 0.20474305026985 0.60571527653382 0.16618756448590 15.999 > 11 44 O 0.70474305026985 0.60571527653382 0.16618756448590 15.999 > 11 45 O 0.29525694973015 0.10571527653382 0.33381243551410 15.999 > 12 46 O 0.79525694973015 0.10571527653382 0.33381243551410 15.999 > 12 47 O 0.29525694973015 0.60571527653382 0.33381243551410 15.999 > 12 48 O 0.79525694973015 0.60571527653382 0.33381243551410 15.999 > 12 49 O 0.29525694973015 0.39428472346618 0.83381243551410 15.999 > 13 50 O 0.79525694973015 0.39428472346618 0.83381243551410 15.999 > 13 51 O 0.29525694973015 0.89428472346618 0.83381243551410 15.999 > 13 52 O 0.79525694973015 0.89428472346618 0.83381243551410 15.999 > 13 53 O 0.20474305026985 0.39428472346618 0.66618756448590 15.999 > 14 54 O 0.70474305026985 0.39428472346618 0.66618756448590 15.999 > 14 55 O 0.20474305026985 0.89428472346618 0.66618756448590 15.999 > 14 56 O 0.70474305026985 0.89428472346618 0.66618756448590 15.999 > 14 *57 O 0.25000000000000 0.31298415110939 0.25000000000000 15.999 > 15 58 O 0.75000000000000 0.31298415110939 0.25000000000000 15.999 > 15 59 O 0.25000000000000 0.81298415110939 0.25000000000000 15.999 > 15 60 O 0.75000000000000 0.81298415110939 0.25000000000000 15.999 > 15 61 O 0.25000000000000 0.18701584889061 0.75000000000000 15.999 > 16 62 O 0.75000000000000 0.18701584889061 0.75000000000000 15.999 > 16 63 O 0.25000000000000 0.68701584889061 0.75000000000000 15.999 > 16 64 O 0.75000000000000 0.68701584889061 0.75000000000000 15.999 > 16 *65 O 0.13676312371464 0.35411796927753 0.03432817288930 15.999 > 17 66 O 0.63676312371464 0.35411796927753 0.03432817288930 15.999 > 17 67 O 0.13676312371464 0.85411796927753 0.03432817288930 15.999 > 17 68 O 0.63676312371464 0.85411796927753 0.03432817288930 15.999 > 17 69 O 0.36323687628536 0.35411796927753 0.46567182711070 15.999 > 18 70 O 0.86323687628536 0.35411796927753 0.46567182711070 15.999 > 18 71 O 0.36323687628536 0.85411796927753 0.46567182711070 15.999 > 18 72 O 0.86323687628536 0.85411796927753 0.46567182711070 15.999 > 18 73 O 0.36323687628536 0.14588203072247 0.96567182711070 15.999 > 19 74 O 0.86323687628536 0.14588203072247 0.96567182711070 15.999 > 19 75 O 0.36323687628536 0.64588203072247 0.96567182711070 15.999 > 19 76 O 0.86323687628536 0.64588203072247 0.96567182711070 15.999 > 19 77 O 0.13676312371464 0.14588203072247 0.53432817288930 15.999 > 20 78 O 0.63676312371464 0.14588203072247 0.53432817288930 15.999 > 20 79 O 0.13676312371464 0.64588203072247 0.53432817288930 15.999 > 20 80 O 0.63676312371464 0.64588203072247 0.53432817288930 15.999 > 20 81 O 0.12962772542419 0.05612094263803 0.93269181239234 15.999 > 21 82 O 0.62962772542419 0.05612094263803 0.93269181239234 15.999 > 21 83 O 0.12962772542419 0.55612094263803 0.93269181239234 15.999 > 21 84 O 0.62962772542419 0.55612094263803 0.93269181239234 15.999 > 21 85 O 0.37037227457581 0.05612094263803 0.56730818760766 15.999 > 22 86 O 0.87037227457581 0.05612094263803 0.56730818760766 15.999 > 22 87 O 0.37037227457581 0.55612094263803 0.56730818760766 15.999 > 22 88 O 0.87037227457581 0.55612094263803 0.56730818760766 15.999 > 22 89 O 0.48382861958943 0.11935501940087 0.11008463553738 15.999 > 23 90 O 0.98382861958943 0.11935501940087 0.11008463553738 15.999 > 23 91 O 0.48382861958943 0.61935501940087 0.11008463553738 15.999 > 23 92 O 0.98382861958943 0.61935501940087 0.11008463553738 15.999 > 23 93 O 0.01617138041057 0.11935501940087 0.38991536446262 15.999 > 24 94 O 0.51617138041057 0.11935501940087 0.38991536446262 15.999 > 24 95 O 0.01617138041057 0.61935501940087 0.38991536446262 15.999 > 24 96 O 0.51617138041057 0.61935501940087 0.38991536446262 15.999 > 24 *97 K 0.00000000000000 0.10112349578417 0.75000000000000 39.098 > 25 98 K 0.50000000000000 0.10112349578417 0.75000000000000 39.098 > 25 99 K 0.00000000000000 0.60112349578417 0.75000000000000 39.098 > 25 100 K 0.50000000000000 0.60112349578417 0.75000000000000 39.098 > 25 101 K 0.00000000000000 0.39887650421583 0.25000000000000 39.098 > 26 102 K 0.50000000000000 0.39887650421583 0.25000000000000 39.098 > 26 103 K 0.00000000000000 0.89887650421583 0.25000000000000 39.098 > 26 104 K 0.50000000000000 0.89887650421583 0.25000000000000 39.098 > 26 *105 Zn 0.24349032137489 0.07375295979063 0.62291584743236 65.380 > 27 106 Zn 0.74349032137489 0.07375295979063 0.62291584743236 65.380 > 27 107 Zn 0.24349032137489 0.57375295979063 0.62291584743236 65.380 > 27 108 Zn 0.74349032137489 0.57375295979063 0.62291584743236 65.380 > 27 109 Zn 0.25650967862511 0.07375295979063 0.87708415256764 65.380 > 28 110 Zn 0.75650967862511 0.07375295979063 0.87708415256764 65.380 > 28 111 Zn 0.25650967862511 0.57375295979063 0.87708415256764 65.380 > 28 112 Zn 0.75650967862511 0.57375295979063 0.87708415256764 65.380 > 28 113 Zn 0.25650967862511 0.42624704020937 0.37708415256764 65.380 > 29 114 Zn 0.75650967862511 0.42624704020937 0.37708415256764 65.380 > 29 115 Zn 0.25650967862511 0.92624704020937 0.37708415256764 65.380 > 29 116 Zn 0.75650967862511 0.92624704020937 0.37708415256764 65.380 > 29 117 Zn 0.24349032137489 0.42624704020937 0.12291584743236 65.380 > 30 118 Zn 0.74349032137489 0.42624704020937 0.12291584743236 65.380 > 30 119 Zn 0.24349032137489 0.92624704020937 0.12291584743236 65.380 > 30 120 Zn 0.74349032137489 0.92624704020937 0.12291584743236 65.380 > 30 *121 Zn 0.10485704355733 0.33022556121472 0.55867827292064 65.380 > 31 122 Zn 0.60485704355733 0.33022556121472 0.55867827292064 65.380 > 31 123 Zn 0.10485704355733 0.83022556121472 0.55867827292064 65.380 > 31 124 Zn 0.60485704355733 0.83022556121472 0.55867827292064 65.380 > 31 125 Zn 0.39514295644267 0.33022556121472 0.94132172707936 65.380 > 32 126 Zn 0.89514295644267 0.33022556121472 0.94132172707936 65.380 > 32 127 Zn 0.39514295644267 0.83022556121472 0.94132172707936 65.380 > 32 128 Zn 0.89514295644267 0.83022556121472 0.94132172707936 65.380 > 32 129 Zn 0.39514295644267 0.16977443878528 0.44132172707936 65.380 > 33 130 Zn 0.89514295644267 0.16977443878528 0.44132172707936 65.380 > 33 131 Zn 0.39514295644267 0.66977443878528 0.44132172707936 65.380 > 33 132 Zn 0.89514295644267 0.66977443878528 0.44132172707936 65.380 > 33 133 Zn 0.10485704355733 0.16977443878528 0.05867827292064 65.380 > 34 134 Zn 0.60485704355733 0.16977443878528 0.05867827292064 65.380 > 34 135 Zn 0.10485704355733 0.66977443878528 0.05867827292064 65.380 > 34 136 Zn 0.60485704355733 0.66977443878528 0.05867827292064 65.380 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8812107 0.0000000 0.1590635 0.0000000 3.0300070 0.0000000 0.1590635 0.0000000 2.8152634 -------------------------- Born effective charges -------------------------- 1 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 2 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 3 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 4 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 5 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 6 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 7 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 8 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 9 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 10 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 11 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 12 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 13 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 14 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 15 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 16 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 17 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 18 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 19 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 20 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 21 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 22 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 23 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 24 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 25 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 26 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 27 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 28 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 29 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 30 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 31 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 32 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 33 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 34 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5416 Number of blocks in projector: 5416 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: 1176 Use submatrix version of eigh solver. (1) Block: 500 / 1176 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1176 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1176 / 1176 (1) 166 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1136 / 1136 (1) 127 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1136 / 1136 (1) 127 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5416, 5339), data: False |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1136, 1122), data: False |-- (1136, 23), data: (1136, 37) @ (37, 23) |-- (136, 127), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 237), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1136, 1122), data: False |-- (1136, 23), data: (1136, 37) @ (37, 23) |-- (136, 127), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 237), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1176, 1157), data: False |-- (1176, 25), data: (1176, 44) @ (44, 25) |-- (176, 166), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1040 - Time: 1.550 Solver_block: 200 / 1040 - Time: 1.438 Solver_block: 300 / 1040 - Time: 1.467 Solver_block: 400 / 1040 - Time: 1.466 Solver_block: 500 / 1040 - Time: 1.466 Solver_block: 600 / 1040 - Time: 1.462 Solver_block: 700 / 1040 - Time: 1.482 Solver_block: 800 / 1040 - Time: 1.447 Solver_block: 900 / 1040 - Time: 1.461 Solver_block: 1000 / 1040 - Time: 1.465 Solver_block: 1040 / 1040 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.819 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5416 Number of blocks in projector: 5416 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: 1176 Use submatrix version of eigh solver. (1) Block: 500 / 1176 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1176 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1176 / 1176 (1) 166 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1136 / 1136 (1) 127 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1136 / 1136 (1) 127 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 146 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5416, 5339), data: False |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 10), data: (656, 20) @ (20, 10) |-- (156, 146), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1136, 1122), data: False |-- (1136, 23), data: (1136, 37) @ (37, 23) |-- (136, 127), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 237), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1136, 1122), data: False |-- (1136, 23), data: (1136, 37) @ (37, 23) |-- (136, 127), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 237), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1176, 1157), data: False |-- (1176, 25), data: (1176, 44) @ (44, 25) |-- (176, 166), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:54:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:54:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.938539781992665 0.000000000000000 0.000000000000000 b 0.000000000000000 5.002161469999999 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): 1 B 0.18461529935338 0.14545650518117 0.45069610959746 10.811 2 B 0.81538470064662 0.14545650518117 0.04930389040254 10.811 3 B 0.81538470064662 0.85454349481883 0.54930389040254 10.811 4 B 0.18461529935338 0.85454349481883 0.95069610959746 10.811 5 B 0.50000000000000 0.65095715887581 0.75000000000000 10.811 6 B 0.50000000000000 0.34904284112419 0.25000000000000 10.811 7 O 0.25925545084839 0.88775811472393 0.43269181239234 15.999 8 O 0.74074454915161 0.88775811472393 0.06730818760766 15.999 9 O 0.96765723917885 0.76128996119826 0.61008463553738 15.999 10 O 0.03234276082115 0.76128996119826 0.88991536446262 15.999 11 O 0.40948610053971 0.21143055306764 0.16618756448590 15.999 12 O 0.59051389946029 0.21143055306764 0.33381243551410 15.999 13 O 0.59051389946029 0.78856944693236 0.83381243551410 15.999 14 O 0.40948610053971 0.78856944693236 0.66618756448590 15.999 15 O 0.50000000000000 0.62596830221878 0.25000000000000 15.999 16 O 0.50000000000000 0.37403169778121 0.75000000000000 15.999 17 O 0.27352624742928 0.70823593855506 0.03432817288930 15.999 18 O 0.72647375257072 0.70823593855506 0.46567182711070 15.999 19 O 0.72647375257072 0.29176406144494 0.96567182711070 15.999 20 O 0.27352624742928 0.29176406144494 0.53432817288930 15.999 21 O 0.25925545084839 0.11224188527607 0.93269181239234 15.999 22 O 0.74074454915161 0.11224188527607 0.56730818760766 15.999 23 O 0.96765723917885 0.23871003880174 0.11008463553738 15.999 24 O 0.03234276082115 0.23871003880174 0.38991536446262 15.999 25 K 0.00000000000000 0.20224699156835 0.75000000000000 39.098 26 K 0.00000000000000 0.79775300843165 0.25000000000000 39.098 27 Zn 0.48698064274978 0.14750591958127 0.62291584743236 65.380 28 Zn 0.51301935725022 0.14750591958127 0.87708415256764 65.380 29 Zn 0.51301935725022 0.85249408041873 0.37708415256764 65.380 30 Zn 0.48698064274978 0.85249408041873 0.12291584743236 65.380 31 Zn 0.20971408711467 0.66045112242943 0.55867827292064 65.380 32 Zn 0.79028591288533 0.66045112242943 0.94132172707936 65.380 33 Zn 0.79028591288533 0.33954887757057 0.44132172707936 65.380 34 Zn 0.20971408711467 0.33954887757057 0.05867827292064 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.877079563985330 0.000000000000000 0.000000000000000 b 0.000000000000000 10.004322939999998 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): 1 B 0.09230764967669 0.07272825259059 0.45069610959746 10.811 > 1 2 B 0.59230764967669 0.07272825259059 0.45069610959746 10.811 > 1 3 B 0.09230764967669 0.57272825259059 0.45069610959746 10.811 > 1 4 B 0.59230764967669 0.57272825259059 0.45069610959746 10.811 > 1 5 B 0.40769235032331 0.07272825259059 0.04930389040254 10.811 > 5 6 B 0.90769235032331 0.07272825259059 0.04930389040254 10.811 > 5 7 B 0.40769235032331 0.57272825259059 0.04930389040254 10.811 > 5 8 B 0.90769235032331 0.57272825259059 0.04930389040254 10.811 > 5 9 B 0.40769235032331 0.42727174740941 0.54930389040254 10.811 > 9 10 B 0.90769235032331 0.42727174740941 0.54930389040254 10.811 > 9 11 B 0.40769235032331 0.92727174740941 0.54930389040254 10.811 > 9 12 B 0.90769235032331 0.92727174740941 0.54930389040254 10.811 > 9 13 B 0.09230764967669 0.42727174740941 0.95069610959746 10.811 > 13 14 B 0.59230764967669 0.42727174740941 0.95069610959746 10.811 > 13 15 B 0.09230764967669 0.92727174740941 0.95069610959746 10.811 > 13 16 B 0.59230764967669 0.92727174740941 0.95069610959746 10.811 > 13 17 B 0.25000000000000 0.32547857943791 0.75000000000000 10.811 > 17 18 B 0.75000000000000 0.32547857943791 0.75000000000000 10.811 > 17 19 B 0.25000000000000 0.82547857943791 0.75000000000000 10.811 > 17 20 B 0.75000000000000 0.82547857943791 0.75000000000000 10.811 > 17 21 B 0.25000000000000 0.17452142056209 0.25000000000000 10.811 > 21 22 B 0.75000000000000 0.17452142056209 0.25000000000000 10.811 > 21 23 B 0.25000000000000 0.67452142056209 0.25000000000000 10.811 > 21 24 B 0.75000000000000 0.67452142056209 0.25000000000000 10.811 > 21 25 O 0.12962772542419 0.44387905736197 0.43269181239234 15.999 > 25 26 O 0.62962772542419 0.44387905736197 0.43269181239234 15.999 > 25 27 O 0.12962772542419 0.94387905736197 0.43269181239234 15.999 > 25 28 O 0.62962772542419 0.94387905736197 0.43269181239234 15.999 > 25 29 O 0.37037227457581 0.44387905736197 0.06730818760766 15.999 > 29 30 O 0.87037227457581 0.44387905736197 0.06730818760766 15.999 > 29 31 O 0.37037227457581 0.94387905736197 0.06730818760766 15.999 > 29 32 O 0.87037227457581 0.94387905736197 0.06730818760766 15.999 > 29 33 O 0.48382861958943 0.38064498059913 0.61008463553738 15.999 > 33 34 O 0.98382861958943 0.38064498059913 0.61008463553738 15.999 > 33 35 O 0.48382861958943 0.88064498059913 0.61008463553738 15.999 > 33 36 O 0.98382861958943 0.88064498059913 0.61008463553738 15.999 > 33 37 O 0.01617138041057 0.38064498059913 0.88991536446262 15.999 > 37 38 O 0.51617138041057 0.38064498059913 0.88991536446262 15.999 > 37 39 O 0.01617138041057 0.88064498059913 0.88991536446262 15.999 > 37 40 O 0.51617138041057 0.88064498059913 0.88991536446262 15.999 > 37 41 O 0.20474305026985 0.10571527653382 0.16618756448590 15.999 > 41 42 O 0.70474305026985 0.10571527653382 0.16618756448590 15.999 > 41 43 O 0.20474305026985 0.60571527653382 0.16618756448590 15.999 > 41 44 O 0.70474305026985 0.60571527653382 0.16618756448590 15.999 > 41 45 O 0.29525694973015 0.10571527653382 0.33381243551410 15.999 > 45 46 O 0.79525694973015 0.10571527653382 0.33381243551410 15.999 > 45 47 O 0.29525694973015 0.60571527653382 0.33381243551410 15.999 > 45 48 O 0.79525694973015 0.60571527653382 0.33381243551410 15.999 > 45 49 O 0.29525694973015 0.39428472346618 0.83381243551410 15.999 > 49 50 O 0.79525694973015 0.39428472346618 0.83381243551410 15.999 > 49 51 O 0.29525694973015 0.89428472346618 0.83381243551410 15.999 > 49 52 O 0.79525694973015 0.89428472346618 0.83381243551410 15.999 > 49 53 O 0.20474305026985 0.39428472346618 0.66618756448590 15.999 > 53 54 O 0.70474305026985 0.39428472346618 0.66618756448590 15.999 > 53 55 O 0.20474305026985 0.89428472346618 0.66618756448590 15.999 > 53 56 O 0.70474305026985 0.89428472346618 0.66618756448590 15.999 > 53 57 O 0.25000000000000 0.31298415110939 0.25000000000000 15.999 > 57 58 O 0.75000000000000 0.31298415110939 0.25000000000000 15.999 > 57 59 O 0.25000000000000 0.81298415110939 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.81298415110939 0.25000000000000 15.999 > 57 61 O 0.25000000000000 0.18701584889061 0.75000000000000 15.999 > 61 62 O 0.75000000000000 0.18701584889061 0.75000000000000 15.999 > 61 63 O 0.25000000000000 0.68701584889061 0.75000000000000 15.999 > 61 64 O 0.75000000000000 0.68701584889061 0.75000000000000 15.999 > 61 65 O 0.13676312371464 0.35411796927753 0.03432817288930 15.999 > 65 66 O 0.63676312371464 0.35411796927753 0.03432817288930 15.999 > 65 67 O 0.13676312371464 0.85411796927753 0.03432817288930 15.999 > 65 68 O 0.63676312371464 0.85411796927753 0.03432817288930 15.999 > 65 69 O 0.36323687628536 0.35411796927753 0.46567182711070 15.999 > 69 70 O 0.86323687628536 0.35411796927753 0.46567182711070 15.999 > 69 71 O 0.36323687628536 0.85411796927753 0.46567182711070 15.999 > 69 72 O 0.86323687628536 0.85411796927753 0.46567182711070 15.999 > 69 73 O 0.36323687628536 0.14588203072247 0.96567182711070 15.999 > 73 74 O 0.86323687628536 0.14588203072247 0.96567182711070 15.999 > 73 75 O 0.36323687628536 0.64588203072247 0.96567182711070 15.999 > 73 76 O 0.86323687628536 0.64588203072247 0.96567182711070 15.999 > 73 77 O 0.13676312371464 0.14588203072247 0.53432817288930 15.999 > 77 78 O 0.63676312371464 0.14588203072247 0.53432817288930 15.999 > 77 79 O 0.13676312371464 0.64588203072247 0.53432817288930 15.999 > 77 80 O 0.63676312371464 0.64588203072247 0.53432817288930 15.999 > 77 81 O 0.12962772542419 0.05612094263803 0.93269181239234 15.999 > 81 82 O 0.62962772542419 0.05612094263803 0.93269181239234 15.999 > 81 83 O 0.12962772542419 0.55612094263803 0.93269181239234 15.999 > 81 84 O 0.62962772542419 0.55612094263803 0.93269181239234 15.999 > 81 85 O 0.37037227457581 0.05612094263803 0.56730818760766 15.999 > 85 86 O 0.87037227457581 0.05612094263803 0.56730818760766 15.999 > 85 87 O 0.37037227457581 0.55612094263803 0.56730818760766 15.999 > 85 88 O 0.87037227457581 0.55612094263803 0.56730818760766 15.999 > 85 89 O 0.48382861958943 0.11935501940087 0.11008463553738 15.999 > 89 90 O 0.98382861958943 0.11935501940087 0.11008463553738 15.999 > 89 91 O 0.48382861958943 0.61935501940087 0.11008463553738 15.999 > 89 92 O 0.98382861958943 0.61935501940087 0.11008463553738 15.999 > 89 93 O 0.01617138041057 0.11935501940087 0.38991536446262 15.999 > 93 94 O 0.51617138041057 0.11935501940087 0.38991536446262 15.999 > 93 95 O 0.01617138041057 0.61935501940087 0.38991536446262 15.999 > 93 96 O 0.51617138041057 0.61935501940087 0.38991536446262 15.999 > 93 97 K 0.00000000000000 0.10112349578417 0.75000000000000 39.098 > 97 98 K 0.50000000000000 0.10112349578417 0.75000000000000 39.098 > 97 99 K 0.00000000000000 0.60112349578417 0.75000000000000 39.098 > 97 100 K 0.50000000000000 0.60112349578417 0.75000000000000 39.098 > 97 101 K 0.00000000000000 0.39887650421583 0.25000000000000 39.098 > 101 102 K 0.50000000000000 0.39887650421583 0.25000000000000 39.098 > 101 103 K 0.00000000000000 0.89887650421583 0.25000000000000 39.098 > 101 104 K 0.50000000000000 0.89887650421583 0.25000000000000 39.098 > 101 105 Zn 0.24349032137489 0.07375295979063 0.62291584743236 65.380 > 105 106 Zn 0.74349032137489 0.07375295979063 0.62291584743236 65.380 > 105 107 Zn 0.24349032137489 0.57375295979063 0.62291584743236 65.380 > 105 108 Zn 0.74349032137489 0.57375295979063 0.62291584743236 65.380 > 105 109 Zn 0.25650967862511 0.07375295979063 0.87708415256764 65.380 > 109 110 Zn 0.75650967862511 0.07375295979063 0.87708415256764 65.380 > 109 111 Zn 0.25650967862511 0.57375295979063 0.87708415256764 65.380 > 109 112 Zn 0.75650967862511 0.57375295979063 0.87708415256764 65.380 > 109 113 Zn 0.25650967862511 0.42624704020937 0.37708415256764 65.380 > 113 114 Zn 0.75650967862511 0.42624704020937 0.37708415256764 65.380 > 113 115 Zn 0.25650967862511 0.92624704020937 0.37708415256764 65.380 > 113 116 Zn 0.75650967862511 0.92624704020937 0.37708415256764 65.380 > 113 117 Zn 0.24349032137489 0.42624704020937 0.12291584743236 65.380 > 117 118 Zn 0.74349032137489 0.42624704020937 0.12291584743236 65.380 > 117 119 Zn 0.24349032137489 0.92624704020937 0.12291584743236 65.380 > 117 120 Zn 0.74349032137489 0.92624704020937 0.12291584743236 65.380 > 117 121 Zn 0.10485704355733 0.33022556121472 0.55867827292064 65.380 > 121 122 Zn 0.60485704355733 0.33022556121472 0.55867827292064 65.380 > 121 123 Zn 0.10485704355733 0.83022556121472 0.55867827292064 65.380 > 121 124 Zn 0.60485704355733 0.83022556121472 0.55867827292064 65.380 > 121 125 Zn 0.39514295644267 0.33022556121472 0.94132172707936 65.380 > 125 126 Zn 0.89514295644267 0.33022556121472 0.94132172707936 65.380 > 125 127 Zn 0.39514295644267 0.83022556121472 0.94132172707936 65.380 > 125 128 Zn 0.89514295644267 0.83022556121472 0.94132172707936 65.380 > 125 129 Zn 0.39514295644267 0.16977443878528 0.44132172707936 65.380 > 129 130 Zn 0.89514295644267 0.16977443878528 0.44132172707936 65.380 > 129 131 Zn 0.39514295644267 0.66977443878528 0.44132172707936 65.380 > 129 132 Zn 0.89514295644267 0.66977443878528 0.44132172707936 65.380 > 129 133 Zn 0.10485704355733 0.16977443878528 0.05867827292064 65.380 > 133 134 Zn 0.60485704355733 0.16977443878528 0.05867827292064 65.380 > 133 135 Zn 0.10485704355733 0.66977443878528 0.05867827292064 65.380 > 133 136 Zn 0.60485704355733 0.66977443878528 0.05867827292064 65.380 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8812107 0.0000000 0.1590635 0.0000000 3.0300070 0.0000000 0.1590635 0.0000000 2.8152634 -------------------------- Born effective charges -------------------------- 1 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 2 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 3 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 4 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 5 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 6 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 7 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 8 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 9 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 10 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 11 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 12 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 13 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 14 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 15 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 16 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 17 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 18 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 19 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 20 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 21 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 22 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 23 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 24 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 25 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 26 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 27 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 28 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 29 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 30 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 31 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 32 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 33 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 34 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000048 (yyy) -0.00000048 (yyy) -0.00000048 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:55:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:55:22]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.938539781992665 0.000000000000000 0.000000000000000 b 0.000000000000000 5.002161469999999 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): 1 B 0.18461529935338 0.14545650518117 0.45069610959746 10.811 2 B 0.81538470064662 0.14545650518117 0.04930389040254 10.811 3 B 0.81538470064662 0.85454349481883 0.54930389040254 10.811 4 B 0.18461529935338 0.85454349481883 0.95069610959746 10.811 5 B 0.50000000000000 0.65095715887581 0.75000000000000 10.811 6 B 0.50000000000000 0.34904284112419 0.25000000000000 10.811 7 O 0.25925545084839 0.88775811472393 0.43269181239234 15.999 8 O 0.74074454915161 0.88775811472393 0.06730818760766 15.999 9 O 0.96765723917885 0.76128996119826 0.61008463553738 15.999 10 O 0.03234276082115 0.76128996119826 0.88991536446262 15.999 11 O 0.40948610053971 0.21143055306764 0.16618756448590 15.999 12 O 0.59051389946029 0.21143055306764 0.33381243551410 15.999 13 O 0.59051389946029 0.78856944693236 0.83381243551410 15.999 14 O 0.40948610053971 0.78856944693236 0.66618756448590 15.999 15 O 0.50000000000000 0.62596830221878 0.25000000000000 15.999 16 O 0.50000000000000 0.37403169778121 0.75000000000000 15.999 17 O 0.27352624742928 0.70823593855506 0.03432817288930 15.999 18 O 0.72647375257072 0.70823593855506 0.46567182711070 15.999 19 O 0.72647375257072 0.29176406144494 0.96567182711070 15.999 20 O 0.27352624742928 0.29176406144494 0.53432817288930 15.999 21 O 0.25925545084839 0.11224188527607 0.93269181239234 15.999 22 O 0.74074454915161 0.11224188527607 0.56730818760766 15.999 23 O 0.96765723917885 0.23871003880174 0.11008463553738 15.999 24 O 0.03234276082115 0.23871003880174 0.38991536446262 15.999 25 K 0.00000000000000 0.20224699156835 0.75000000000000 39.098 26 K 0.00000000000000 0.79775300843165 0.25000000000000 39.098 27 Zn 0.48698064274978 0.14750591958127 0.62291584743236 65.380 28 Zn 0.51301935725022 0.14750591958127 0.87708415256764 65.380 29 Zn 0.51301935725022 0.85249408041873 0.37708415256764 65.380 30 Zn 0.48698064274978 0.85249408041873 0.12291584743236 65.380 31 Zn 0.20971408711467 0.66045112242943 0.55867827292064 65.380 32 Zn 0.79028591288533 0.66045112242943 0.94132172707936 65.380 33 Zn 0.79028591288533 0.33954887757057 0.44132172707936 65.380 34 Zn 0.20971408711467 0.33954887757057 0.05867827292064 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.877079563985330 0.000000000000000 0.000000000000000 b 0.000000000000000 10.004322939999998 0.000000000000000 c -0.727569707439727 0.000000000000000 12.529460220634119 Atomic positions (fractional): 1 B 0.09230764967669 0.07272825259059 0.45069610959746 10.811 > 1 2 B 0.59230764967669 0.07272825259059 0.45069610959746 10.811 > 1 3 B 0.09230764967669 0.57272825259059 0.45069610959746 10.811 > 1 4 B 0.59230764967669 0.57272825259059 0.45069610959746 10.811 > 1 5 B 0.40769235032331 0.07272825259059 0.04930389040254 10.811 > 5 6 B 0.90769235032331 0.07272825259059 0.04930389040254 10.811 > 5 7 B 0.40769235032331 0.57272825259059 0.04930389040254 10.811 > 5 8 B 0.90769235032331 0.57272825259059 0.04930389040254 10.811 > 5 9 B 0.40769235032331 0.42727174740941 0.54930389040254 10.811 > 9 10 B 0.90769235032331 0.42727174740941 0.54930389040254 10.811 > 9 11 B 0.40769235032331 0.92727174740941 0.54930389040254 10.811 > 9 12 B 0.90769235032331 0.92727174740941 0.54930389040254 10.811 > 9 13 B 0.09230764967669 0.42727174740941 0.95069610959746 10.811 > 13 14 B 0.59230764967669 0.42727174740941 0.95069610959746 10.811 > 13 15 B 0.09230764967669 0.92727174740941 0.95069610959746 10.811 > 13 16 B 0.59230764967669 0.92727174740941 0.95069610959746 10.811 > 13 17 B 0.25000000000000 0.32547857943791 0.75000000000000 10.811 > 17 18 B 0.75000000000000 0.32547857943791 0.75000000000000 10.811 > 17 19 B 0.25000000000000 0.82547857943791 0.75000000000000 10.811 > 17 20 B 0.75000000000000 0.82547857943791 0.75000000000000 10.811 > 17 21 B 0.25000000000000 0.17452142056209 0.25000000000000 10.811 > 21 22 B 0.75000000000000 0.17452142056209 0.25000000000000 10.811 > 21 23 B 0.25000000000000 0.67452142056209 0.25000000000000 10.811 > 21 24 B 0.75000000000000 0.67452142056209 0.25000000000000 10.811 > 21 25 O 0.12962772542419 0.44387905736197 0.43269181239234 15.999 > 25 26 O 0.62962772542419 0.44387905736197 0.43269181239234 15.999 > 25 27 O 0.12962772542419 0.94387905736197 0.43269181239234 15.999 > 25 28 O 0.62962772542419 0.94387905736197 0.43269181239234 15.999 > 25 29 O 0.37037227457581 0.44387905736197 0.06730818760766 15.999 > 29 30 O 0.87037227457581 0.44387905736197 0.06730818760766 15.999 > 29 31 O 0.37037227457581 0.94387905736197 0.06730818760766 15.999 > 29 32 O 0.87037227457581 0.94387905736197 0.06730818760766 15.999 > 29 33 O 0.48382861958943 0.38064498059913 0.61008463553738 15.999 > 33 34 O 0.98382861958943 0.38064498059913 0.61008463553738 15.999 > 33 35 O 0.48382861958943 0.88064498059913 0.61008463553738 15.999 > 33 36 O 0.98382861958943 0.88064498059913 0.61008463553738 15.999 > 33 37 O 0.01617138041057 0.38064498059913 0.88991536446262 15.999 > 37 38 O 0.51617138041057 0.38064498059913 0.88991536446262 15.999 > 37 39 O 0.01617138041057 0.88064498059913 0.88991536446262 15.999 > 37 40 O 0.51617138041057 0.88064498059913 0.88991536446262 15.999 > 37 41 O 0.20474305026985 0.10571527653382 0.16618756448590 15.999 > 41 42 O 0.70474305026985 0.10571527653382 0.16618756448590 15.999 > 41 43 O 0.20474305026985 0.60571527653382 0.16618756448590 15.999 > 41 44 O 0.70474305026985 0.60571527653382 0.16618756448590 15.999 > 41 45 O 0.29525694973015 0.10571527653382 0.33381243551410 15.999 > 45 46 O 0.79525694973015 0.10571527653382 0.33381243551410 15.999 > 45 47 O 0.29525694973015 0.60571527653382 0.33381243551410 15.999 > 45 48 O 0.79525694973015 0.60571527653382 0.33381243551410 15.999 > 45 49 O 0.29525694973015 0.39428472346618 0.83381243551410 15.999 > 49 50 O 0.79525694973015 0.39428472346618 0.83381243551410 15.999 > 49 51 O 0.29525694973015 0.89428472346618 0.83381243551410 15.999 > 49 52 O 0.79525694973015 0.89428472346618 0.83381243551410 15.999 > 49 53 O 0.20474305026985 0.39428472346618 0.66618756448590 15.999 > 53 54 O 0.70474305026985 0.39428472346618 0.66618756448590 15.999 > 53 55 O 0.20474305026985 0.89428472346618 0.66618756448590 15.999 > 53 56 O 0.70474305026985 0.89428472346618 0.66618756448590 15.999 > 53 57 O 0.25000000000000 0.31298415110939 0.25000000000000 15.999 > 57 58 O 0.75000000000000 0.31298415110939 0.25000000000000 15.999 > 57 59 O 0.25000000000000 0.81298415110939 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.81298415110939 0.25000000000000 15.999 > 57 61 O 0.25000000000000 0.18701584889061 0.75000000000000 15.999 > 61 62 O 0.75000000000000 0.18701584889061 0.75000000000000 15.999 > 61 63 O 0.25000000000000 0.68701584889061 0.75000000000000 15.999 > 61 64 O 0.75000000000000 0.68701584889061 0.75000000000000 15.999 > 61 65 O 0.13676312371464 0.35411796927753 0.03432817288930 15.999 > 65 66 O 0.63676312371464 0.35411796927753 0.03432817288930 15.999 > 65 67 O 0.13676312371464 0.85411796927753 0.03432817288930 15.999 > 65 68 O 0.63676312371464 0.85411796927753 0.03432817288930 15.999 > 65 69 O 0.36323687628536 0.35411796927753 0.46567182711070 15.999 > 69 70 O 0.86323687628536 0.35411796927753 0.46567182711070 15.999 > 69 71 O 0.36323687628536 0.85411796927753 0.46567182711070 15.999 > 69 72 O 0.86323687628536 0.85411796927753 0.46567182711070 15.999 > 69 73 O 0.36323687628536 0.14588203072247 0.96567182711070 15.999 > 73 74 O 0.86323687628536 0.14588203072247 0.96567182711070 15.999 > 73 75 O 0.36323687628536 0.64588203072247 0.96567182711070 15.999 > 73 76 O 0.86323687628536 0.64588203072247 0.96567182711070 15.999 > 73 77 O 0.13676312371464 0.14588203072247 0.53432817288930 15.999 > 77 78 O 0.63676312371464 0.14588203072247 0.53432817288930 15.999 > 77 79 O 0.13676312371464 0.64588203072247 0.53432817288930 15.999 > 77 80 O 0.63676312371464 0.64588203072247 0.53432817288930 15.999 > 77 81 O 0.12962772542419 0.05612094263803 0.93269181239234 15.999 > 81 82 O 0.62962772542419 0.05612094263803 0.93269181239234 15.999 > 81 83 O 0.12962772542419 0.55612094263803 0.93269181239234 15.999 > 81 84 O 0.62962772542419 0.55612094263803 0.93269181239234 15.999 > 81 85 O 0.37037227457581 0.05612094263803 0.56730818760766 15.999 > 85 86 O 0.87037227457581 0.05612094263803 0.56730818760766 15.999 > 85 87 O 0.37037227457581 0.55612094263803 0.56730818760766 15.999 > 85 88 O 0.87037227457581 0.55612094263803 0.56730818760766 15.999 > 85 89 O 0.48382861958943 0.11935501940087 0.11008463553738 15.999 > 89 90 O 0.98382861958943 0.11935501940087 0.11008463553738 15.999 > 89 91 O 0.48382861958943 0.61935501940087 0.11008463553738 15.999 > 89 92 O 0.98382861958943 0.61935501940087 0.11008463553738 15.999 > 89 93 O 0.01617138041057 0.11935501940087 0.38991536446262 15.999 > 93 94 O 0.51617138041057 0.11935501940087 0.38991536446262 15.999 > 93 95 O 0.01617138041057 0.61935501940087 0.38991536446262 15.999 > 93 96 O 0.51617138041057 0.61935501940087 0.38991536446262 15.999 > 93 97 K 0.00000000000000 0.10112349578417 0.75000000000000 39.098 > 97 98 K 0.50000000000000 0.10112349578417 0.75000000000000 39.098 > 97 99 K 0.00000000000000 0.60112349578417 0.75000000000000 39.098 > 97 100 K 0.50000000000000 0.60112349578417 0.75000000000000 39.098 > 97 101 K 0.00000000000000 0.39887650421583 0.25000000000000 39.098 > 101 102 K 0.50000000000000 0.39887650421583 0.25000000000000 39.098 > 101 103 K 0.00000000000000 0.89887650421583 0.25000000000000 39.098 > 101 104 K 0.50000000000000 0.89887650421583 0.25000000000000 39.098 > 101 105 Zn 0.24349032137489 0.07375295979063 0.62291584743236 65.380 > 105 106 Zn 0.74349032137489 0.07375295979063 0.62291584743236 65.380 > 105 107 Zn 0.24349032137489 0.57375295979063 0.62291584743236 65.380 > 105 108 Zn 0.74349032137489 0.57375295979063 0.62291584743236 65.380 > 105 109 Zn 0.25650967862511 0.07375295979063 0.87708415256764 65.380 > 109 110 Zn 0.75650967862511 0.07375295979063 0.87708415256764 65.380 > 109 111 Zn 0.25650967862511 0.57375295979063 0.87708415256764 65.380 > 109 112 Zn 0.75650967862511 0.57375295979063 0.87708415256764 65.380 > 109 113 Zn 0.25650967862511 0.42624704020937 0.37708415256764 65.380 > 113 114 Zn 0.75650967862511 0.42624704020937 0.37708415256764 65.380 > 113 115 Zn 0.25650967862511 0.92624704020937 0.37708415256764 65.380 > 113 116 Zn 0.75650967862511 0.92624704020937 0.37708415256764 65.380 > 113 117 Zn 0.24349032137489 0.42624704020937 0.12291584743236 65.380 > 117 118 Zn 0.74349032137489 0.42624704020937 0.12291584743236 65.380 > 117 119 Zn 0.24349032137489 0.92624704020937 0.12291584743236 65.380 > 117 120 Zn 0.74349032137489 0.92624704020937 0.12291584743236 65.380 > 117 121 Zn 0.10485704355733 0.33022556121472 0.55867827292064 65.380 > 121 122 Zn 0.60485704355733 0.33022556121472 0.55867827292064 65.380 > 121 123 Zn 0.10485704355733 0.83022556121472 0.55867827292064 65.380 > 121 124 Zn 0.60485704355733 0.83022556121472 0.55867827292064 65.380 > 121 125 Zn 0.39514295644267 0.33022556121472 0.94132172707936 65.380 > 125 126 Zn 0.89514295644267 0.33022556121472 0.94132172707936 65.380 > 125 127 Zn 0.39514295644267 0.83022556121472 0.94132172707936 65.380 > 125 128 Zn 0.89514295644267 0.83022556121472 0.94132172707936 65.380 > 125 129 Zn 0.39514295644267 0.16977443878528 0.44132172707936 65.380 > 129 130 Zn 0.89514295644267 0.16977443878528 0.44132172707936 65.380 > 129 131 Zn 0.39514295644267 0.66977443878528 0.44132172707936 65.380 > 129 132 Zn 0.89514295644267 0.66977443878528 0.44132172707936 65.380 > 129 133 Zn 0.10485704355733 0.16977443878528 0.05867827292064 65.380 > 133 134 Zn 0.60485704355733 0.16977443878528 0.05867827292064 65.380 > 133 135 Zn 0.10485704355733 0.66977443878528 0.05867827292064 65.380 > 133 136 Zn 0.60485704355733 0.66977443878528 0.05867827292064 65.380 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8812107 0.0000000 0.1590635 0.0000000 3.0300070 0.0000000 0.1590635 0.0000000 2.8152634 -------------------------- Born effective charges -------------------------- 1 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 2 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 3 B 2.0111721 -0.7250519 1.1574283 -0.4667963 2.2416806 0.5138803 0.7842696 0.5061490 1.5628333 4 B 2.0111721 0.7250519 1.1574283 0.4667963 2.2416806 -0.5138803 0.7842696 -0.5061490 1.5628333 5 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 6 B 0.8691823 0.0000000 0.8437520 0.0000000 2.9701089 0.0000000 1.0283701 0.0000000 2.4609445 7 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 8 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 9 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 10 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 11 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 12 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 13 O -1.3139674 -0.0235860 -0.6179094 -0.0764893 -1.8430960 -0.5306055 -0.6949205 -0.5446693 -2.1144902 14 O -1.3139674 0.0235860 -0.6179094 0.0764893 -1.8430960 0.5306055 -0.6949205 0.5446693 -2.1144902 15 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 16 O -0.8349217 0.0000000 -0.1435990 0.0000000 -2.7722858 0.0000000 -0.0862731 0.0000000 -1.6912838 17 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 18 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 19 O -1.4730092 -0.0094220 -0.6779914 -0.0609725 -1.8898928 0.4987803 -0.5739018 0.4595799 -1.6255276 20 O -1.4730092 0.0094220 -0.6779914 0.0609725 -1.8898928 -0.4987803 -0.5739018 -0.4595799 -1.6255276 21 O -1.6865687 -0.5289952 0.2304205 -0.3589314 -2.1091413 0.0136403 0.2619282 0.0548316 -1.3573893 22 O -1.6865687 0.5289952 0.2304205 0.3589314 -2.1091413 -0.0136403 0.2619282 -0.0548316 -1.3573893 23 O -2.2736767 -0.5253402 -0.5365362 -0.4067387 -1.3137841 -0.1030832 -0.4227897 -0.0400881 -1.3164404 24 O -2.2736767 0.5253402 -0.5365362 0.4067387 -1.3137841 0.1030832 -0.4227897 0.0400881 -1.3164404 25 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 26 K 1.1487008 0.0000000 0.0782890 0.0000000 1.1911597 0.0000000 0.0947036 0.0000000 1.4133526 27 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 28 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 29 Zn 2.0154549 -0.1114168 0.0350895 -0.1467718 2.0446524 0.0802065 -0.1261337 0.0759804 2.0408101 30 Zn 2.0154549 0.1114168 0.0350895 0.1467718 2.0446524 -0.0802065 -0.1261337 -0.0759804 2.0408101 31 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 32 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 33 Zn 2.1291142 -0.0546009 0.0202777 -0.0744580 2.1750896 -0.0505767 0.2531475 0.0129338 1.7186975 34 Zn 2.1291142 0.0546009 0.0202777 0.0744580 2.1750896 0.0505767 0.2531475 -0.0129338 1.7186975 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000048 (yyy) -0.00000048 (yyy) -0.00000048 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 0.000) 0.000 11.727 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 14.003 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.466 ( 0.000 0.000 0.000) 0.000 17.608 ( 0.000 0.000 0.000) 0.000 17.802 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 17.943 ( 0.000 0.000 0.000) 0.000 19.659 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 0.000) 0.000 19.823 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 20.101 ( 0.000 0.000 0.000) 0.000 20.172 ( 0.000 0.000 0.000) 0.000 20.374 ( 0.000 0.000 0.000) 0.000 21.036 ( 0.000 0.000 0.000) 0.000 21.139 ( 0.000 0.000 0.000) 0.000 21.296 ( 0.000 0.000 0.000) 0.000 21.340 ( 0.000 0.000 0.000) 0.000 27.424 ( 0.000 0.000 0.000) 0.000 27.442 ( 0.000 0.000 0.000) 0.000 27.500 ( 0.000 0.000 0.000) 0.000 27.524 ( 0.000 0.000 0.000) 0.000 28.470 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 34.430 ( 0.000 0.000 0.000) 0.000 34.434 ( 0.000 0.000 0.000) 0.000 35.121 ( 0.000 0.000 0.000) 0.000 35.467 ( 0.000 0.000 0.000) 0.000 37.494 ( 0.000 0.000 0.000) 0.000 37.726 ( 0.000 0.000 0.000) 0.000 38.269 ( 0.000 0.000 0.000) 0.000 39.210 ( 0.000 0.000 0.000) 0.000 40.092 ( 0.000 0.000 0.000) 0.000 40.130 ( 0.000 0.000 0.000) 0.000 40.914 ( 0.000 0.000 0.000) 0.000 41.420 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 20.412 0.000 7.869) 21.876 0.494 ( 22.299 0.000 5.479) 22.962 0.920 ( 41.631 0.000 16.947) 44.949 1.220 ( -3.705 0.000 -4.008) 5.458 1.473 ( 8.340 0.000 7.460) 11.189 1.618 ( -4.712 0.000 -19.465) 20.027 1.851 ( -4.105 0.000 3.015) 5.093 2.004 ( 5.693 0.000 18.570) 19.423 2.114 ( 2.423 0.000 7.358) 7.746 2.137 ( 8.311 0.000 -1.206) 8.398 2.177 ( 3.935 0.000 -26.141) 26.435 2.529 ( 1.135 0.000 -1.824) 2.148 2.629 ( -9.419 0.000 -1.790) 9.588 2.786 ( -3.340 0.000 -3.310) 4.702 2.928 ( 4.571 0.000 -0.303) 4.581 3.182 ( 1.941 0.000 -5.289) 5.634 3.192 ( -0.308 0.000 -2.131) 2.153 3.202 ( -1.451 0.000 -11.421) 11.513 3.410 ( 5.463 0.000 1.612) 5.696 3.468 ( -3.245 0.000 -0.109) 3.247 3.541 ( -5.374 0.000 -4.446) 6.975 3.833 ( -3.957 0.000 -1.376) 4.190 4.048 ( -2.884 0.000 -3.669) 4.667 4.071 ( 0.409 0.000 4.936) 4.953 4.181 ( 0.499 0.000 -1.811) 1.878 4.200 ( -0.878 0.000 -5.196) 5.269 4.487 ( -0.776 0.000 -1.140) 1.379 4.578 ( 5.333 0.000 -5.622) 7.749 4.593 ( 0.352 0.000 3.649) 3.666 4.774 ( -6.447 0.000 16.763) 17.960 4.785 ( -0.088 0.000 -1.731) 1.733 4.859 ( 10.145 0.000 12.817) 16.346 5.118 ( 0.924 0.000 -0.442) 1.024 5.425 ( 2.079 0.000 -3.550) 4.114 5.535 ( -3.913 0.000 -31.185) 31.429 5.674 ( -0.606 0.000 1.970) 2.061 5.923 ( 2.982 0.000 0.189) 2.988 5.932 ( 0.750 0.000 2.848) 2.945 6.399 ( 1.255 0.000 1.819) 2.210 6.565 ( -2.393 0.000 3.889) 4.566 6.617 ( -5.314 0.000 -2.076) 5.705 6.804 ( -1.694 0.000 -2.071) 2.676 6.894 ( 3.741 0.000 7.922) 8.760 7.181 ( 0.449 0.000 -4.250) 4.273 7.826 ( -1.067 0.000 1.123) 1.549 8.135 ( 2.129 0.000 -0.860) 2.296 8.871 ( -3.860 0.000 35.225) 35.436 8.977 ( -5.153 0.000 -4.738) 7.000 9.917 ( 1.458 0.000 -4.155) 4.404 10.128 ( 0.351 0.000 -0.168) 0.389 10.267 ( -3.843 0.000 0.214) 3.849 10.280 ( 0.238 0.000 0.387) 0.454 11.593 ( -1.493 0.000 22.851) 22.900 11.649 ( -6.670 0.000 -3.244) 7.417 11.778 ( 0.464 0.000 0.838) 0.958 11.872 ( -3.802 0.000 -2.710) 4.669 12.409 ( -2.509 0.000 0.833) 2.644 12.523 ( 2.007 0.000 0.234) 2.021 12.952 ( 0.045 0.000 -0.279) 0.282 13.310 ( 4.085 0.000 5.628) 6.954 13.469 ( 4.611 0.000 4.094) 6.166 13.975 ( -2.374 0.000 -0.560) 2.439 14.018 ( -0.818 0.000 -8.468) 8.507 14.189 ( 2.544 0.000 -0.447) 2.583 14.374 ( 1.257 0.000 -12.220) 12.284 14.472 ( 0.384 0.000 -0.002) 0.384 17.626 ( 1.646 0.000 0.885) 1.868 17.790 ( -0.946 0.000 -1.915) 2.136 17.881 ( -0.150 0.000 1.424) 1.432 17.928 ( -1.367 0.000 -1.102) 1.756 19.652 ( -0.568 0.000 0.089) 0.575 19.705 ( 0.187 0.000 1.440) 1.452 19.808 ( -1.174 0.000 -1.091) 1.603 19.855 ( 1.691 0.000 -1.863) 2.516 19.869 ( 1.248 0.000 0.595) 1.383 19.994 ( 0.745 0.000 5.914) 5.961 20.099 ( -0.185 0.000 -0.229) 0.294 20.107 ( 0.895 0.000 0.171) 0.911 20.343 ( -2.894 0.000 2.093) 3.571 20.506 ( 1.411 0.000 -21.252) 21.299 21.101 ( -0.248 0.000 -14.551) 14.553 21.141 ( 0.158 0.000 1.315) 1.324 21.309 ( 1.191 0.000 -0.525) 1.302 21.376 ( 2.911 0.000 0.497) 2.953 27.445 ( 0.253 0.000 -0.827) 0.865 27.470 ( -0.554 0.000 1.916) 1.995 27.504 ( 0.289 0.000 0.587) 0.654 27.533 ( 0.681 0.000 0.595) 0.905 28.469 ( -0.132 0.000 -0.086) 0.157 28.479 ( -0.030 0.000 -0.367) 0.368 34.453 ( 2.179 0.000 -0.199) 2.189 34.471 ( 3.483 0.000 -0.005) 3.483 35.094 ( -2.497 0.000 -2.868) 3.803 35.444 ( -2.440 0.000 3.390) 4.177 37.496 ( 0.221 0.000 0.297) 0.370 37.709 ( -1.485 0.000 -0.328) 1.520 38.805 ( -5.927 0.000 46.640) 47.015 39.019 ( -19.834 0.000 -4.995) 20.453 39.813 ( -16.855 0.000 -4.051) 17.335 40.107 ( 1.180 0.000 1.903) 2.239 41.800 ( 26.558 0.000 -8.748) 27.961 42.428 ( -3.602 0.000 65.467) 65.566 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 14.093 0.000 6.739) 15.621 0.893 ( 14.790 0.000 1.658) 14.883 1.144 ( -2.920 0.000 -3.600) 4.635 1.543 ( 2.883 0.000 -12.309) 12.642 1.655 ( 8.038 0.000 9.249) 12.254 1.666 ( 20.847 0.000 0.047) 20.847 1.810 ( 0.864 0.000 9.109) 9.150 2.097 ( -5.922 0.000 -1.265) 6.056 2.162 ( 5.399 0.000 1.532) 5.612 2.192 ( 8.301 0.000 14.181) 16.432 2.420 ( 14.130 0.000 9.575) 17.069 2.504 ( -2.355 0.000 -2.535) 3.460 2.563 ( 1.295 0.000 5.456) 5.607 2.667 ( -5.251 0.000 -7.709) 9.327 2.936 ( -13.210 0.000 -16.530) 21.161 3.069 ( 6.456 0.000 -2.843) 7.054 3.148 ( -2.693 0.000 -9.405) 9.783 3.282 ( 3.471 0.000 -1.834) 3.926 3.413 ( -3.959 0.000 -4.272) 5.824 3.533 ( 5.098 0.000 2.783) 5.808 3.538 ( 6.257 0.000 4.323) 7.605 3.762 ( -1.152 0.000 0.633) 1.314 4.001 ( -3.354 0.000 -3.674) 4.975 4.091 ( 0.808 0.000 6.699) 6.747 4.172 ( -1.297 0.000 -2.064) 2.438 4.185 ( -0.059 0.000 -4.514) 4.514 4.478 ( -0.080 0.000 -4.201) 4.201 4.526 ( -9.698 0.000 4.299) 10.609 4.659 ( 2.889 0.000 -4.450) 5.306 4.686 ( 0.994 0.000 9.954) 10.003 4.828 ( 2.515 0.000 -5.376) 5.935 5.018 ( 3.016 0.000 6.035) 6.746 5.120 ( -0.471 0.000 -1.078) 1.176 5.378 ( -8.218 0.000 -14.677) 16.822 5.494 ( 4.858 0.000 -0.367) 4.871 5.659 ( -0.551 0.000 2.187) 2.256 5.991 ( 3.054 0.000 0.770) 3.149 5.994 ( 4.923 0.000 3.409) 5.988 6.401 ( -1.311 0.000 1.889) 2.300 6.464 ( -7.098 0.000 -2.264) 7.451 6.522 ( -2.887 0.000 -0.894) 3.022 6.746 ( -2.804 0.000 1.380) 3.125 6.995 ( 2.354 0.000 5.011) 5.536 7.172 ( -0.912 0.000 -3.518) 3.634 7.865 ( 6.411 0.000 5.423) 8.397 8.218 ( 6.091 0.000 -3.016) 6.797 8.794 ( -11.947 0.000 -8.804) 14.840 8.808 ( -5.310 0.000 16.540) 17.372 9.950 ( 1.768 0.000 -0.738) 1.916 10.135 ( 0.327 0.000 -0.298) 0.442 10.185 ( -3.467 0.000 -0.140) 3.470 10.283 ( -0.048 0.000 0.421) 0.424 11.481 ( -8.102 0.000 -4.387) 9.214 11.590 ( -0.665 0.000 9.385) 9.409 11.782 ( -3.851 0.000 -2.185) 4.428 11.792 ( 0.625 0.000 1.117) 1.280 12.353 ( -2.602 0.000 0.822) 2.729 12.596 ( 4.510 0.000 -0.917) 4.602 12.940 ( -1.250 0.000 1.395) 1.873 13.418 ( 5.370 0.000 1.771) 5.654 13.561 ( 3.246 0.000 3.178) 4.542 13.920 ( -2.617 0.000 0.493) 2.663 13.981 ( -1.981 0.000 -3.468) 3.994 14.261 ( 4.114 0.000 0.498) 4.144 14.384 ( 0.695 0.000 -5.896) 5.937 14.475 ( -0.239 0.000 -0.301) 0.384 17.675 ( 2.869 0.000 1.615) 3.293 17.764 ( -1.158 0.000 -1.813) 2.151 17.884 ( 0.304 0.000 1.345) 1.379 17.885 ( -2.539 0.000 -1.900) 3.171 19.643 ( -0.227 0.000 0.202) 0.304 19.712 ( 0.295 0.000 1.285) 1.318 19.780 ( -1.243 0.000 -1.588) 2.017 19.892 ( 1.847 0.000 -2.606) 3.194 19.899 ( 1.390 0.000 1.035) 1.733 20.021 ( 1.233 0.000 2.860) 3.115 20.092 ( -0.489 0.000 -0.625) 0.793 20.127 ( 0.926 0.000 -0.442) 1.026 20.276 ( -3.556 0.000 2.945) 4.617 20.510 ( 0.626 0.000 -7.522) 7.548 21.077 ( -0.763 0.000 -4.862) 4.921 21.149 ( 0.445 0.000 1.280) 1.355 21.335 ( 1.173 0.000 -0.321) 1.216 21.436 ( 2.365 0.000 1.011) 2.572 27.450 ( 0.330 0.000 -0.973) 1.027 27.462 ( -0.393 0.000 0.783) 0.876 27.510 ( 0.168 0.000 0.663) 0.684 27.548 ( 0.658 0.000 0.578) 0.876 28.466 ( -0.164 0.000 -0.110) 0.198 28.479 ( 0.122 0.000 -0.309) 0.332 34.514 ( 3.491 0.000 -0.180) 3.496 34.567 ( 5.405 0.000 -0.138) 5.407 35.021 ( -3.991 0.000 -1.681) 4.331 35.375 ( -4.490 0.000 4.254) 6.185 37.503 ( 0.299 0.000 0.353) 0.462 37.675 ( -1.428 0.000 -0.536) 1.525 38.495 ( -24.500 0.000 -9.213) 26.175 38.726 ( -4.916 0.000 17.794) 18.461 39.620 ( -3.752 0.000 -3.063) 4.843 40.137 ( 1.324 0.000 2.249) 2.610 42.261 ( 17.676 0.000 -7.975) 19.392 42.433 ( -1.130 0.000 23.559) 23.586 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.426 0.000 -4.764) 4.973 1.036 ( 5.155 0.000 2.802) 5.867 1.200 ( 5.519 0.000 4.104) 6.877 1.566 ( 1.069 0.000 -4.843) 4.960 1.817 ( 5.074 0.000 3.162) 5.979 1.889 ( 4.778 0.000 -3.344) 5.832 1.914 ( 5.193 0.000 7.090) 8.788 1.967 ( -0.065 0.000 4.833) 4.833 2.103 ( -3.940 0.000 -0.521) 3.974 2.270 ( -17.255 0.000 -15.534) 23.217 2.562 ( -0.566 0.000 0.753) 0.942 2.586 ( -0.342 0.000 4.806) 4.818 2.613 ( 15.714 0.000 17.936) 23.846 2.744 ( 11.650 0.000 7.000) 13.591 2.865 ( 4.415 0.000 -4.042) 5.985 3.017 ( -8.926 0.000 -16.924) 19.133 3.177 ( 2.817 0.000 0.072) 2.818 3.249 ( -1.663 0.000 -1.439) 2.200 3.413 ( -0.147 0.000 -1.964) 1.970 3.619 ( 3.616 0.000 1.269) 3.832 3.712 ( 12.020 0.000 1.019) 12.063 3.780 ( -0.149 0.000 2.460) 2.464 3.891 ( -4.131 0.000 -3.786) 5.603 4.016 ( -11.983 0.000 4.169) 12.688 4.168 ( 1.470 0.000 0.991) 1.773 4.183 ( 0.008 0.000 -2.625) 2.625 4.343 ( -4.497 0.000 -0.258) 4.504 4.473 ( 0.067 0.000 -2.084) 2.085 4.687 ( 0.470 0.000 -1.688) 1.752 4.773 ( 4.745 0.000 10.191) 11.242 4.850 ( -0.223 0.000 -7.533) 7.536 5.032 ( -0.517 0.000 1.118) 1.232 5.109 ( -0.136 0.000 0.078) 0.157 5.198 ( -6.375 0.000 -6.815) 9.332 5.559 ( 0.734 0.000 -0.022) 0.734 5.684 ( 1.980 0.000 1.790) 2.670 6.037 ( 1.170 0.000 0.383) 1.231 6.119 ( 5.300 0.000 1.441) 5.492 6.346 ( -3.274 0.000 -1.178) 3.480 6.363 ( -2.075 0.000 1.258) 2.427 6.476 ( -1.268 0.000 -0.931) 1.573 6.711 ( -0.687 0.000 0.886) 1.121 6.974 ( -2.710 0.000 0.682) 2.794 7.147 ( -0.774 0.000 -0.933) 1.212 8.116 ( 15.490 0.000 10.127) 18.506 8.349 ( 5.443 0.000 -3.335) 6.384 8.482 ( -16.276 0.000 -10.847) 19.560 8.708 ( -4.662 0.000 7.099) 8.493 9.979 ( 0.846 0.000 0.016) 0.846 10.136 ( -1.004 0.000 -1.372) 1.700 10.139 ( -0.035 0.000 1.048) 1.049 10.280 ( -0.146 0.000 0.162) 0.218 11.349 ( -3.531 0.000 -1.974) 4.045 11.589 ( -0.193 0.000 2.812) 2.819 11.726 ( -1.343 0.000 -0.702) 1.515 11.803 ( 0.300 0.000 0.528) 0.607 12.315 ( -1.027 0.000 0.307) 1.072 12.676 ( 2.562 0.000 -1.165) 2.814 12.913 ( -1.141 0.000 1.461) 1.854 13.509 ( 2.627 0.000 0.461) 2.667 13.605 ( 0.881 0.000 0.917) 1.272 13.880 ( -1.078 0.000 0.566) 1.218 13.940 ( -1.252 0.000 -1.352) 1.843 14.339 ( 2.681 0.000 0.805) 2.800 14.388 ( 0.185 0.000 -1.932) 1.941 14.459 ( -0.956 0.000 -0.492) 1.075 17.742 ( 3.207 0.000 1.957) 3.757 17.745 ( -0.466 0.000 -0.666) 0.813 17.823 ( -3.066 0.000 -2.086) 3.708 17.892 ( 0.237 0.000 0.508) 0.561 19.642 ( 0.007 0.000 0.120) 0.120 19.718 ( 0.171 0.000 0.759) 0.778 19.759 ( -0.539 0.000 -0.941) 1.085 19.916 ( 0.647 0.000 -0.874) 1.087 19.925 ( 0.805 0.000 0.143) 0.817 20.048 ( 1.003 0.000 1.587) 1.878 20.078 ( -0.702 0.000 -0.936) 1.170 20.141 ( 0.413 0.000 -0.781) 0.884 20.220 ( -1.738 0.000 1.837) 2.528 20.512 ( 0.190 0.000 -2.012) 2.020 21.062 ( -0.320 0.000 -1.265) 1.305 21.158 ( 0.254 0.000 0.508) 0.568 21.352 ( 0.455 0.000 -0.077) 0.462 21.468 ( 0.694 0.000 0.489) 0.849 27.454 ( 0.151 0.000 -0.428) 0.454 27.457 ( -0.134 0.000 0.250) 0.284 27.512 ( 0.010 0.000 0.281) 0.281 27.558 ( 0.260 0.000 0.232) 0.348 28.463 ( -0.073 0.000 -0.050) 0.089 28.482 ( 0.101 0.000 -0.086) 0.133 34.579 ( 2.184 0.000 -0.022) 2.184 34.665 ( 3.173 0.000 -0.175) 3.178 34.946 ( -2.411 0.000 -0.665) 2.501 35.293 ( -2.915 0.000 1.939) 3.501 37.508 ( 0.143 0.000 0.150) 0.208 37.658 ( -0.238 0.000 -0.252) 0.347 38.124 ( -9.401 0.000 -4.282) 10.330 38.665 ( -1.989 0.000 5.087) 5.462 39.580 ( -0.636 0.000 -1.133) 1.299 40.160 ( 0.547 0.000 0.965) 1.109 42.436 ( -0.268 0.000 6.388) 6.393 42.494 ( 5.704 0.000 -2.952) 6.423 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 20.507 0.000) 20.507 0.470 ( 0.000 23.213 0.000) 23.213 1.107 ( 0.000 45.331 0.000) 45.331 1.378 ( 0.000 5.658 0.000) 5.658 1.387 ( 0.000 7.991 0.000) 7.991 1.527 ( 0.000 -0.875 0.000) 0.875 1.800 ( 0.000 3.821 0.000) 3.821 1.896 ( 0.000 7.290 0.000) 7.290 2.067 ( 0.000 10.469 0.000) 10.469 2.227 ( 0.000 16.397 0.000) 16.397 2.396 ( 0.000 12.571 0.000) 12.571 2.514 ( 0.000 1.509 0.000) 1.509 2.795 ( 0.000 2.167 0.000) 2.167 2.848 ( 0.000 4.134 0.000) 4.134 2.916 ( 0.000 1.254 0.000) 1.254 3.190 ( 0.000 4.211 0.000) 4.211 3.199 ( 0.000 1.339 0.000) 1.339 3.300 ( 0.000 6.619 0.000) 6.619 3.300 ( 0.000 1.796 0.000) 1.796 3.525 ( 0.000 -2.878 0.000) 2.878 3.634 ( 0.000 2.790 0.000) 2.790 3.800 ( 0.000 -5.470 0.000) 5.470 3.995 ( 0.000 -6.645 0.000) 6.645 4.012 ( 0.000 -3.549 0.000) 3.549 4.255 ( 0.000 1.780 0.000) 1.780 4.301 ( 0.000 1.950 0.000) 1.950 4.410 ( 0.000 -0.254 0.000) 0.254 4.507 ( 0.000 0.673 0.000) 0.673 4.560 ( 0.000 1.949 0.000) 1.949 4.696 ( 0.000 1.459 0.000) 1.459 4.808 ( 0.000 3.820 0.000) 3.820 5.054 ( 0.000 2.028 0.000) 2.028 5.174 ( 0.000 8.527 0.000) 8.527 5.314 ( 0.000 -9.441 0.000) 9.441 5.527 ( 0.000 5.227 0.000) 5.227 5.577 ( 0.000 -7.917 0.000) 7.917 5.851 ( 0.000 -1.514 0.000) 1.514 5.937 ( 0.000 -3.194 0.000) 3.194 6.374 ( 0.000 -0.380 0.000) 0.380 6.591 ( 0.000 0.595 0.000) 0.595 6.614 ( 0.000 -5.901 0.000) 5.901 6.810 ( 0.000 3.176 0.000) 3.176 7.111 ( 0.000 -6.719 0.000) 6.719 7.292 ( 0.000 -3.547 0.000) 3.547 7.814 ( 0.000 -1.391 0.000) 1.391 8.179 ( 0.000 5.622 0.000) 5.622 8.593 ( 0.000 5.505 0.000) 5.505 9.149 ( 0.000 -3.844 0.000) 3.844 9.897 ( 0.000 1.424 0.000) 1.424 10.122 ( 0.000 -0.207 0.000) 0.207 10.278 ( 0.000 0.100 0.000) 0.100 10.359 ( 0.000 -1.522 0.000) 1.522 11.434 ( 0.000 1.193 0.000) 1.193 11.695 ( 0.000 -2.797 0.000) 2.797 11.843 ( 0.000 6.171 0.000) 6.171 12.289 ( 0.000 -5.261 0.000) 5.261 12.479 ( 0.000 -1.653 0.000) 1.653 12.537 ( 0.000 5.781 0.000) 5.781 12.996 ( 0.000 5.629 0.000) 5.629 13.365 ( 0.000 -3.818 0.000) 3.818 13.489 ( 0.000 -0.949 0.000) 0.949 13.524 ( 0.000 -6.771 0.000) 6.771 13.977 ( 0.000 -2.530 0.000) 2.530 14.181 ( 0.000 -4.883 0.000) 4.883 14.212 ( 0.000 1.052 0.000) 1.052 14.445 ( 0.000 -2.329 0.000) 2.329 17.611 ( 0.000 0.260 0.000) 0.260 17.794 ( 0.000 -1.517 0.000) 1.517 17.875 ( 0.000 -0.640 0.000) 0.640 17.955 ( 0.000 1.070 0.000) 1.070 19.655 ( 0.000 -0.440 0.000) 0.440 19.729 ( 0.000 3.084 0.000) 3.084 19.788 ( 0.000 -3.196 0.000) 3.196 19.803 ( 0.000 -3.345 0.000) 3.345 19.858 ( 0.000 0.365 0.000) 0.365 20.008 ( 0.000 -2.748 0.000) 2.748 20.064 ( 0.000 -3.059 0.000) 3.059 20.093 ( 0.000 -0.700 0.000) 0.700 20.182 ( 0.000 0.817 0.000) 0.817 20.350 ( 0.000 -2.043 0.000) 2.043 21.045 ( 0.000 0.750 0.000) 0.750 21.247 ( 0.000 -3.246 0.000) 3.246 21.327 ( 0.000 0.493 0.000) 0.493 21.350 ( 0.000 0.876 0.000) 0.876 27.426 ( 0.000 0.205 0.000) 0.205 27.461 ( 0.000 -0.399 0.000) 0.399 27.509 ( 0.000 0.771 0.000) 0.771 27.541 ( 0.000 1.346 0.000) 1.346 28.479 ( 0.000 0.794 0.000) 0.794 28.493 ( 0.000 1.195 0.000) 1.195 34.489 ( 0.000 5.485 0.000) 5.485 34.493 ( 0.000 6.102 0.000) 6.102 35.270 ( 0.000 13.940 0.000) 13.940 36.762 ( 0.000 -10.376 0.000) 10.376 37.786 ( 0.000 22.837 0.000) 22.837 38.284 ( 0.000 1.531 0.000) 1.531 39.214 ( 0.000 0.129 0.000) 0.129 39.285 ( 0.000 0.940 0.000) 0.940 40.054 ( 0.000 -6.797 0.000) 6.797 40.103 ( 0.000 1.104 0.000) 1.104 40.878 ( 0.000 -3.611 0.000) 3.611 41.419 ( 0.000 -7.230 0.000) 7.230 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 15.823 14.697 7.323) 22.804 0.900 ( 27.171 13.810 19.660) 36.270 1.230 ( 7.796 22.703 1.648) 24.061 1.397 ( 7.733 21.574 -0.309) 22.920 1.496 ( 7.275 2.814 6.139) 9.926 1.686 ( 3.767 -1.218 -11.464) 12.129 1.868 ( 8.039 -4.541 -1.026) 9.290 1.915 ( -0.828 6.685 -0.486) 6.753 2.019 ( 1.142 0.325 4.884) 5.027 2.271 ( -1.042 18.986 -2.654) 19.199 2.341 ( -0.291 11.663 -0.404) 11.673 2.543 ( 1.964 1.380 0.084) 2.401 2.723 ( -4.968 5.930 -0.432) 7.748 2.769 ( -4.696 -0.058 -1.657) 4.980 2.953 ( 1.617 1.652 -0.323) 2.334 3.164 ( -5.841 0.249 -11.891) 13.251 3.196 ( 0.316 2.688 -6.921) 7.431 3.261 ( 2.825 7.065 1.524) 7.760 3.383 ( 4.551 -1.889 1.062) 5.041 3.465 ( -4.162 -1.356 -0.018) 4.378 3.611 ( -0.782 5.232 -1.268) 5.440 3.837 ( 0.912 -0.089 0.987) 1.347 3.973 ( -1.229 -4.937 0.406) 5.104 4.036 ( 0.755 -4.603 1.943) 5.053 4.174 ( -3.226 0.432 1.183) 3.463 4.266 ( -4.055 4.573 -4.335) 7.493 4.482 ( 0.100 -1.598 0.600) 1.709 4.512 ( 1.897 -3.849 2.761) 5.103 4.556 ( 2.796 -2.188 -3.334) 4.870 4.733 ( 2.516 3.647 6.616) 7.963 4.826 ( 1.394 3.350 -1.428) 3.899 5.057 ( -0.656 5.307 5.078) 7.375 5.144 ( 0.565 5.434 -3.641) 6.565 5.369 ( 1.530 -7.500 -4.617) 8.939 5.490 ( -0.977 -0.584 -1.362) 1.775 5.616 ( 2.001 -2.832 -4.546) 5.718 5.917 ( 2.359 -1.535 -0.103) 2.816 5.940 ( 2.771 0.044 1.849) 3.332 6.373 ( -1.175 -2.571 1.940) 3.429 6.552 ( -4.948 -5.830 -1.680) 7.829 6.601 ( -0.609 0.570 2.173) 2.328 6.822 ( -0.280 -1.770 3.304) 3.758 6.994 ( -11.490 5.485 -4.733) 13.583 7.140 ( -0.468 -3.088 -0.883) 3.246 7.832 ( 1.432 1.266 1.830) 2.646 8.169 ( 2.115 4.365 -2.403) 5.413 8.737 ( 3.948 -2.224 13.775) 14.501 9.066 ( -6.613 0.331 -1.093) 6.711 9.917 ( 1.626 0.705 -1.395) 2.256 10.128 ( 0.538 -0.108 0.050) 0.552 10.252 ( -2.194 0.160 -0.256) 2.215 10.325 ( -1.892 1.030 0.162) 2.160 11.497 ( 1.954 -2.382 5.578) 6.372 11.641 ( -3.957 -0.888 0.620) 4.103 11.844 ( 0.037 5.701 0.049) 5.701 12.178 ( -10.695 11.169 2.655) 15.690 12.431 ( -4.676 4.165 0.452) 6.278 12.528 ( 3.266 -0.101 0.282) 3.280 12.931 ( -0.453 0.041 -0.268) 0.527 13.282 ( 0.628 -1.587 3.210) 3.635 13.442 ( 3.256 -2.733 2.068) 4.727 13.882 ( 8.648 -11.426 -9.149) 17.002 13.962 ( -1.825 -1.795 4.391) 5.082 14.177 ( 0.063 -1.816 -2.475) 3.070 14.231 ( 2.433 -6.942 -2.341) 7.720 14.452 ( 0.516 -2.510 -0.710) 2.659 17.622 ( 0.884 -0.474 0.587) 1.162 17.797 ( 0.706 0.317 -1.642) 1.816 17.840 ( -2.793 -2.572 0.638) 3.850 17.980 ( 1.141 3.163 0.103) 3.364 19.663 ( -0.213 0.445 1.197) 1.295 19.724 ( -0.224 1.136 1.066) 1.573 19.777 ( -0.793 -2.782 -0.700) 2.976 19.829 ( 1.893 -2.167 -1.219) 3.125 19.858 ( 0.623 -0.741 0.123) 0.975 19.991 ( -0.103 -0.726 2.900) 2.991 20.067 ( 0.044 -3.146 0.048) 3.147 20.082 ( 0.313 -2.099 0.270) 2.139 20.294 ( 0.972 -4.710 -3.730) 6.086 20.361 ( 4.120 -4.624 -6.295) 8.831 21.038 ( -0.412 -0.801 -0.778) 1.190 21.200 ( -2.596 -0.549 -1.633) 3.116 21.322 ( 0.993 0.964 -1.038) 1.730 21.404 ( 2.872 1.018 -0.587) 3.103 27.440 ( 0.687 0.048 0.128) 0.700 27.467 ( 0.283 -0.536 0.880) 1.068 27.514 ( 0.329 0.709 0.099) 0.788 27.542 ( 0.299 1.164 -0.135) 1.209 28.475 ( -0.259 0.804 0.293) 0.894 28.491 ( -0.104 1.079 -0.349) 1.139 34.517 ( 2.470 6.157 -0.077) 6.635 34.535 ( 4.039 5.849 -0.437) 7.122 35.236 ( -3.328 13.586 1.135) 14.034 36.107 ( -37.647 26.486 -14.504) 48.262 37.695 ( -5.143 21.433 -0.999) 22.064 37.966 ( -9.060 18.274 -6.346) 21.361 38.833 ( -11.792 2.745 34.246) 36.323 39.020 ( -20.375 -0.168 -3.120) 20.613 39.805 ( -13.433 -0.431 -3.554) 13.901 40.106 ( 1.074 0.215 2.322) 2.567 41.588 ( 27.840 -20.642 3.743) 34.860 41.992 ( 26.658 -23.554 23.511) 42.640 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 13.864 11.107 7.052) 19.113 1.194 ( -1.358 14.782 -3.235) 15.193 1.410 ( 12.614 19.930 5.331) 24.181 1.639 ( 6.573 3.230 5.922) 9.419 1.714 ( 2.553 4.382 -0.063) 5.072 1.777 ( 17.064 11.745 3.529) 21.014 1.872 ( 3.073 5.371 4.476) 7.637 2.046 ( 4.240 -3.295 -4.452) 6.975 2.090 ( 1.980 -3.676 0.730) 4.239 2.265 ( 1.524 11.073 6.816) 13.092 2.316 ( 3.007 1.608 2.121) 4.016 2.559 ( -1.574 3.078 -3.645) 5.024 2.640 ( -5.380 3.766 -4.175) 7.782 2.756 ( 5.449 5.367 4.620) 8.935 2.921 ( -10.309 -0.009 -13.383) 16.893 3.025 ( 3.481 -3.001 -1.552) 4.851 3.199 ( 0.548 6.557 -8.223) 10.531 3.317 ( 0.431 2.964 2.092) 3.654 3.389 ( -0.430 -1.544 -0.216) 1.617 3.517 ( 5.304 -2.412 3.451) 6.771 3.623 ( 1.321 6.649 -1.307) 6.904 3.793 ( -3.305 3.123 -1.856) 4.911 3.924 ( -4.780 -6.724 -1.008) 8.311 4.069 ( 1.901 -6.463 1.096) 6.825 4.122 ( -1.989 -1.427 0.578) 2.516 4.205 ( -1.552 3.839 0.356) 4.156 4.452 ( -6.402 -2.288 1.227) 6.909 4.491 ( 1.567 0.963 0.078) 1.841 4.665 ( 5.508 -2.494 -0.276) 6.053 4.787 ( 2.344 8.079 4.470) 9.525 4.852 ( 1.327 1.222 -1.955) 2.660 5.047 ( -0.983 2.374 -0.338) 2.592 5.162 ( 0.920 3.368 -3.733) 5.111 5.335 ( -3.891 -1.868 -6.608) 7.893 5.494 ( 0.604 -4.212 0.610) 4.299 5.664 ( 3.754 3.726 -0.758) 5.343 5.977 ( 4.775 -0.941 3.567) 6.035 6.008 ( 2.132 0.493 0.005) 2.188 6.312 ( -4.507 -6.016 1.962) 7.769 6.430 ( -5.726 -4.008 -3.154) 7.667 6.537 ( -5.143 0.444 0.338) 5.173 6.746 ( -7.237 -5.310 1.687) 9.133 6.900 ( 2.427 -2.044 0.385) 3.196 7.181 ( 1.700 -0.839 -0.039) 1.896 7.906 ( 6.487 3.825 5.076) 9.081 8.259 ( 6.190 3.839 -2.060) 7.570 8.716 ( -6.620 -1.973 1.516) 7.072 8.914 ( -7.254 4.935 1.707) 8.938 9.952 ( 1.715 0.427 -0.318) 1.796 10.142 ( 0.645 0.258 0.900) 1.137 10.195 ( -2.785 1.045 -1.165) 3.195 10.300 ( -0.709 1.194 0.043) 1.389 11.452 ( -5.162 -1.680 -2.908) 6.158 11.608 ( 0.206 2.166 5.354) 5.779 11.843 ( -0.233 4.710 0.261) 4.723 11.961 ( -8.518 13.144 0.348) 15.667 12.374 ( -2.059 1.966 0.934) 2.996 12.609 ( 4.455 1.223 -0.779) 4.685 12.941 ( 0.059 0.129 1.194) 1.202 13.356 ( 4.992 -5.142 1.848) 7.401 13.515 ( 2.938 -4.186 1.306) 5.278 13.900 ( -2.835 -2.645 -4.537) 5.968 13.940 ( -1.035 -3.787 2.820) 4.834 14.202 ( 2.121 -5.773 -0.750) 6.196 14.285 ( 2.973 -7.091 -2.354) 8.042 14.453 ( -0.583 -2.930 -0.998) 3.150 17.645 ( 1.200 -2.290 0.595) 2.653 17.776 ( -2.824 -2.162 0.184) 3.561 17.828 ( 2.000 1.379 -1.458) 2.833 17.985 ( -0.559 5.036 0.127) 5.068 19.657 ( -0.205 1.062 0.766) 1.325 19.721 ( -0.118 0.301 1.214) 1.256 19.757 ( -0.971 -1.972 -1.813) 2.849 19.860 ( 1.225 -3.204 -1.016) 3.577 19.888 ( 1.832 -0.779 -0.116) 1.994 20.006 ( 0.992 -1.384 1.989) 2.618 20.064 ( -0.349 -2.864 -0.380) 2.910 20.093 ( 0.436 -3.099 0.036) 3.129 20.253 ( -2.775 -1.763 2.262) 3.991 20.430 ( 2.438 -5.561 -6.439) 8.850 21.031 ( -0.243 -2.457 -0.879) 2.621 21.163 ( -0.942 -0.166 -0.229) 0.983 21.348 ( 1.310 1.005 -0.551) 1.740 21.454 ( 1.827 0.940 0.482) 2.110 27.451 ( 0.432 0.281 -0.490) 0.711 27.470 ( -0.075 0.309 0.795) 0.856 27.518 ( 0.138 0.697 0.284) 0.765 27.552 ( 0.566 0.581 0.110) 0.819 28.471 ( -0.144 0.707 0.174) 0.743 28.490 ( 0.028 0.929 -0.356) 0.995 34.586 ( 3.932 7.027 -0.126) 8.053 34.642 ( 5.924 6.618 -0.568) 8.900 35.146 ( -5.036 12.252 0.636) 13.262 35.584 ( -15.557 15.651 -1.619) 22.127 37.641 ( -0.883 14.275 1.254) 14.357 37.858 ( -3.250 15.620 -1.081) 15.991 38.493 ( -23.311 -0.265 -8.605) 24.850 38.715 ( -5.879 -0.984 15.511) 16.616 39.649 ( -3.147 2.932 -2.820) 5.143 40.137 ( 1.418 0.220 2.369) 2.769 42.053 ( 16.730 -18.316 1.817) 24.873 42.310 ( 6.936 -11.807 9.175) 16.483 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -2.591 10.102 -2.464) 10.716 1.147 ( 6.149 10.777 3.518) 12.897 1.587 ( 3.504 24.340 0.161) 24.592 1.773 ( 5.603 8.923 3.416) 11.076 1.804 ( 5.138 -1.303 2.628) 5.917 1.890 ( -2.392 2.694 -0.192) 3.608 1.954 ( 3.562 6.925 -1.342) 7.903 2.026 ( -2.293 4.830 -1.400) 5.527 2.100 ( 0.215 4.569 3.126) 5.540 2.301 ( -10.245 4.954 -10.075) 15.199 2.441 ( 6.882 -6.598 10.443) 14.140 2.556 ( -0.012 3.260 -3.804) 5.010 2.616 ( 9.898 0.361 5.446) 11.303 2.792 ( -3.983 -1.537 -2.917) 5.171 2.920 ( 10.324 8.192 4.723) 14.000 3.091 ( 1.960 -4.804 -0.067) 5.189 3.171 ( -3.921 8.001 -9.762) 13.217 3.298 ( -0.560 1.463 0.473) 1.637 3.388 ( -1.105 -2.652 -0.242) 2.883 3.592 ( 2.578 -7.905 2.029) 8.558 3.637 ( 0.351 3.317 -0.467) 3.368 3.753 ( -9.266 -9.799 -1.159) 13.536 3.825 ( 5.817 1.675 -1.306) 6.193 4.057 ( -2.847 0.651 -0.957) 3.073 4.098 ( -0.289 -6.231 -1.336) 6.379 4.206 ( -0.754 4.812 6.564) 8.174 4.321 ( -3.583 -1.380 -1.841) 4.259 4.520 ( 0.727 3.884 -0.705) 4.014 4.767 ( 4.032 2.953 1.076) 5.112 4.837 ( 1.333 6.500 4.513) 8.024 4.865 ( -0.341 -0.909 -4.627) 4.727 5.043 ( 1.768 5.924 1.739) 6.422 5.166 ( -0.544 2.345 -2.812) 3.702 5.218 ( -5.107 2.518 -4.805) 7.450 5.496 ( -0.220 -5.377 0.293) 5.389 5.744 ( 2.574 5.203 0.533) 5.829 6.028 ( 0.236 -3.496 0.301) 3.517 6.103 ( 5.438 -0.787 2.423) 6.005 6.232 ( -2.380 -7.827 0.323) 8.187 6.333 ( -2.707 -1.341 -2.055) 3.654 6.436 ( -4.124 -2.882 0.088) 5.032 6.624 ( -3.375 -7.909 1.130) 8.673 6.987 ( 4.543 0.923 0.130) 4.638 7.153 ( -3.534 -0.637 -0.365) 3.610 8.121 ( 12.633 0.493 7.043) 14.472 8.340 ( -2.880 -1.380 -1.462) 3.512 8.545 ( -4.689 6.649 -7.272) 10.912 8.790 ( -4.628 7.355 3.841) 9.501 9.980 ( 0.802 0.234 0.064) 0.837 10.143 ( -0.915 0.522 1.784) 2.072 10.162 ( 0.127 1.719 -2.061) 2.686 10.289 ( -0.363 0.720 0.055) 0.808 11.358 ( -2.664 0.881 -1.705) 3.283 11.623 ( 0.470 3.322 2.238) 4.033 11.814 ( -2.160 6.111 -0.455) 6.497 11.870 ( -0.814 7.674 0.526) 7.735 12.343 ( -0.885 2.507 0.388) 2.687 12.686 ( 2.449 1.127 -1.041) 2.890 12.932 ( -0.717 1.801 1.335) 2.354 13.452 ( 3.199 -5.635 0.422) 6.493 13.552 ( 0.532 -5.028 0.680) 5.102 13.845 ( -1.512 -3.046 -1.725) 3.813 13.915 ( -1.081 -2.584 1.024) 2.982 14.235 ( 0.806 -8.373 -0.387) 8.420 14.353 ( 3.561 -4.514 -0.003) 5.750 14.420 ( -2.475 -3.802 -0.923) 4.629 17.670 ( 1.121 -3.698 0.157) 3.867 17.727 ( -1.749 -3.476 0.165) 3.894 17.870 ( 1.700 4.587 -0.752) 4.949 17.965 ( -1.084 5.125 0.197) 5.242 19.657 ( 0.039 1.323 0.291) 1.355 19.725 ( 0.273 -0.478 1.955) 2.031 19.737 ( -0.657 -1.252 -2.329) 2.725 19.877 ( 0.457 -3.955 -0.417) 4.003 19.918 ( 0.905 -0.521 -0.155) 1.056 20.028 ( 0.808 -2.041 1.278) 2.540 20.052 ( -0.606 -2.674 -0.695) 2.828 20.096 ( -0.016 -3.626 -0.137) 3.628 20.212 ( -1.179 -0.660 1.236) 1.831 20.454 ( 0.613 -4.493 -2.021) 4.965 21.026 ( -0.131 -2.841 -0.356) 2.866 21.154 ( -0.152 -0.648 0.126) 0.678 21.368 ( 0.557 1.221 -0.169) 1.353 21.478 ( 0.487 0.516 0.352) 0.792 27.456 ( 0.142 0.163 -0.282) 0.355 27.469 ( -0.052 0.931 0.303) 0.981 27.521 ( 0.050 0.757 0.144) 0.773 27.561 ( 0.217 0.301 0.084) 0.381 28.469 ( -0.048 0.717 0.048) 0.720 28.491 ( 0.058 0.815 -0.121) 0.826 34.659 ( 2.464 7.869 -0.036) 8.246 34.751 ( 3.684 7.922 -0.382) 8.745 35.057 ( -2.888 10.646 0.066) 11.031 35.368 ( -5.724 6.765 0.606) 8.882 37.639 ( 0.205 12.452 0.828) 12.481 37.812 ( -1.065 14.233 -0.386) 14.278 38.136 ( -9.126 1.165 -4.257) 10.137 38.645 ( -2.071 -1.908 4.619) 5.410 39.615 ( -0.546 3.475 -1.077) 3.679 40.161 ( 0.593 0.375 0.986) 1.211 42.279 ( 5.096 -14.080 3.716) 15.428 42.397 ( 1.860 -10.356 -1.065) 10.575 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 26.051 0.000) 26.051 0.919 ( 0.000 21.900 0.000) 21.900 1.462 ( 0.000 7.678 0.000) 7.678 1.505 ( 0.000 -0.408 0.000) 0.408 1.556 ( 0.000 5.892 0.000) 5.892 1.739 ( 0.000 14.269 0.000) 14.269 2.000 ( 0.000 16.264 0.000) 16.264 2.021 ( 0.000 4.989 0.000) 4.989 2.246 ( 0.000 8.719 0.000) 8.719 2.588 ( 0.000 3.651 0.000) 3.651 2.672 ( 0.000 15.230 0.000) 15.230 2.714 ( 0.000 22.094 0.000) 22.094 2.803 ( 0.000 0.050 0.000) 0.050 2.954 ( 0.000 0.939 0.000) 0.939 2.980 ( 0.000 11.457 0.000) 11.457 3.202 ( 0.000 -0.032 0.000) 0.032 3.352 ( 0.000 10.994 0.000) 10.994 3.390 ( 0.000 -1.795 0.000) 1.795 3.469 ( 0.000 5.016 0.000) 5.016 3.550 ( 0.000 18.379 0.000) 18.379 3.705 ( 0.000 4.128 0.000) 4.128 3.721 ( 0.000 -1.580 0.000) 1.580 3.918 ( 0.000 0.025 0.000) 0.025 3.959 ( 0.000 -1.362 0.000) 1.362 4.271 ( 0.000 1.011 0.000) 1.011 4.278 ( 0.000 -3.038 0.000) 3.038 4.445 ( 0.000 2.661 0.000) 2.661 4.492 ( 0.000 -1.535 0.000) 1.535 4.555 ( 0.000 -1.730 0.000) 1.730 4.733 ( 0.000 -0.298 0.000) 0.298 4.864 ( 0.000 0.539 0.000) 0.539 5.069 ( 0.000 -12.999 0.000) 12.999 5.122 ( 0.000 5.072 0.000) 5.072 5.398 ( 0.000 10.165 0.000) 10.165 5.402 ( 0.000 -9.149 0.000) 9.149 5.658 ( 0.000 7.476 0.000) 7.476 5.800 ( 0.000 -3.399 0.000) 3.399 5.889 ( 0.000 0.875 0.000) 0.875 6.304 ( 0.000 -7.170 0.000) 7.170 6.470 ( 0.000 -7.472 0.000) 7.472 6.564 ( 0.000 -0.826 0.000) 0.826 6.876 ( 0.000 0.348 0.000) 0.348 6.926 ( 0.000 -10.253 0.000) 10.253 7.221 ( 0.000 -3.453 0.000) 3.453 7.856 ( 0.000 6.308 0.000) 6.308 8.314 ( 0.000 7.162 0.000) 7.162 8.702 ( 0.000 4.731 0.000) 4.731 9.069 ( 0.000 -3.767 0.000) 3.767 9.931 ( 0.000 1.771 0.000) 1.771 10.111 ( 0.000 -0.974 0.000) 0.974 10.277 ( 0.000 -0.232 0.000) 0.232 10.324 ( 0.000 -1.991 0.000) 1.991 11.464 ( 0.000 1.532 0.000) 1.532 11.643 ( 0.000 -1.673 0.000) 1.673 11.977 ( 0.000 6.403 0.000) 6.403 12.201 ( 0.000 -3.305 0.000) 3.305 12.482 ( 0.000 2.035 0.000) 2.035 12.643 ( 0.000 4.734 0.000) 4.734 13.070 ( 0.000 -0.175 0.000) 0.175 13.306 ( 0.000 -0.210 0.000) 0.210 13.349 ( 0.000 -10.081 0.000) 10.081 13.466 ( 0.000 -1.137 0.000) 1.137 13.907 ( 0.000 -4.211 0.000) 4.211 14.055 ( 0.000 -7.345 0.000) 7.345 14.225 ( 0.000 -0.016 0.000) 0.016 14.369 ( 0.000 -5.192 0.000) 5.192 17.612 ( 0.000 -0.336 0.000) 0.336 17.756 ( 0.000 -2.225 0.000) 2.225 17.868 ( 0.000 0.154 0.000) 0.154 17.977 ( 0.000 0.988 0.000) 0.988 19.640 ( 0.000 -1.091 0.000) 1.091 19.707 ( 0.000 -4.557 0.000) 4.557 19.715 ( 0.000 -4.917 0.000) 4.917 19.787 ( 0.000 1.961 0.000) 1.961 19.871 ( 0.000 0.519 0.000) 0.519 19.940 ( 0.000 -3.682 0.000) 3.682 19.993 ( 0.000 -3.025 0.000) 3.025 20.075 ( 0.000 -1.109 0.000) 1.109 20.199 ( 0.000 0.865 0.000) 0.865 20.311 ( 0.000 -1.623 0.000) 1.623 21.056 ( 0.000 0.263 0.000) 0.263 21.180 ( 0.000 -3.237 0.000) 3.237 21.328 ( 0.000 -0.263 0.000) 0.263 21.370 ( 0.000 0.915 0.000) 0.915 27.432 ( 0.000 0.331 0.000) 0.331 27.455 ( 0.000 -0.227 0.000) 0.227 27.527 ( 0.000 0.926 0.000) 0.926 27.566 ( 0.000 1.019 0.000) 1.019 28.500 ( 0.000 1.199 0.000) 1.199 28.522 ( 0.000 1.490 0.000) 1.490 34.645 ( 0.000 9.603 0.000) 9.603 34.659 ( 0.000 9.915 0.000) 9.915 35.617 ( 0.000 19.165 0.000) 19.165 36.598 ( 0.000 -5.881 0.000) 5.881 38.265 ( 0.000 23.339 0.000) 23.339 38.328 ( 0.000 2.809 0.000) 2.809 39.191 ( 0.000 -3.206 0.000) 3.206 39.309 ( 0.000 1.362 0.000) 1.362 39.916 ( 0.000 -5.287 0.000) 5.287 40.140 ( 0.000 2.733 0.000) 2.733 40.769 ( 0.000 -7.187 0.000) 7.187 41.225 ( 0.000 -11.633 0.000) 11.633 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 10.059 20.528 1.568) 22.914 1.175 ( 20.566 15.666 19.207) 32.207 1.457 ( 2.531 3.121 -2.827) 4.913 1.586 ( 1.751 6.580 4.193) 7.997 1.610 ( 6.365 1.322 -3.409) 7.340 1.785 ( 3.962 9.324 1.900) 10.307 1.875 ( -5.457 1.538 -0.866) 5.736 2.129 ( 4.679 15.252 6.529) 17.238 2.193 ( -3.116 10.548 -1.219) 11.066 2.565 ( -3.766 4.337 -4.789) 7.478 2.634 ( -0.983 11.181 -3.300) 11.699 2.686 ( -4.018 12.189 -4.689) 13.664 2.751 ( -3.819 2.297 5.161) 6.819 2.884 ( -0.919 8.785 -0.770) 8.866 2.996 ( -1.147 6.354 -1.569) 6.644 3.280 ( 2.850 3.670 -5.727) 7.375 3.332 ( -6.005 5.170 -7.424) 10.859 3.375 ( -0.470 9.509 -0.786) 9.553 3.448 ( -1.511 7.571 -2.872) 8.237 3.460 ( 1.105 9.746 2.456) 10.111 3.697 ( 0.195 2.721 -1.309) 3.026 3.772 ( 0.005 -5.687 2.950) 6.407 3.951 ( 0.911 -0.701 8.668) 8.744 3.968 ( 0.824 2.862 -1.204) 3.212 4.172 ( -5.042 0.317 2.355) 5.574 4.357 ( -1.011 1.523 -2.922) 3.447 4.434 ( 3.289 -0.282 -3.778) 5.016 4.450 ( -1.134 -2.581 0.245) 2.830 4.548 ( -0.477 0.651 4.561) 4.632 4.758 ( 1.431 -3.399 -1.005) 3.822 4.895 ( 3.216 2.495 1.603) 4.375 5.046 ( -1.054 -8.015 -3.375) 8.760 5.184 ( 3.631 3.653 1.341) 5.322 5.379 ( -0.612 3.699 -2.606) 4.566 5.391 ( -1.804 -5.848 -0.408) 6.133 5.662 ( 2.470 4.881 0.468) 5.490 5.895 ( 3.106 1.006 -2.167) 3.918 5.941 ( 7.320 1.030 2.017) 7.662 6.271 ( -3.375 -7.484 2.011) 8.453 6.414 ( -4.151 -6.686 -2.113) 8.149 6.584 ( 1.152 -0.535 1.594) 2.038 6.722 ( -9.654 -8.265 1.270) 12.772 7.013 ( 1.721 -2.165 -2.781) 3.922 7.119 ( -5.731 0.093 0.482) 5.752 7.909 ( 4.050 6.680 2.655) 8.250 8.289 ( 0.290 6.507 -3.222) 7.267 8.754 ( 1.493 2.165 5.144) 5.777 9.045 ( -1.584 -0.950 -2.031) 2.745 9.943 ( 1.010 1.483 -0.188) 1.804 10.118 ( 0.595 -1.005 0.790) 1.410 10.258 ( -1.676 0.161 -0.495) 1.755 10.321 ( -0.234 -1.144 -0.346) 1.218 11.477 ( -0.268 -0.321 0.395) 0.575 11.639 ( 0.323 0.983 2.232) 2.460 11.967 ( -0.912 5.824 0.302) 5.903 12.220 ( 0.519 -2.406 0.019) 2.461 12.532 ( 2.563 2.575 -1.068) 3.787 12.571 ( -5.030 5.986 1.600) 7.981 12.953 ( -4.958 0.479 0.058) 4.981 13.276 ( -0.911 1.008 1.040) 1.711 13.353 ( 1.780 -6.376 0.767) 6.664 13.655 ( 9.626 -9.608 -3.567) 14.060 13.907 ( -0.500 -3.511 2.396) 4.280 14.061 ( 0.757 -7.556 -0.675) 7.624 14.180 ( -3.256 -1.158 -0.998) 3.597 14.371 ( -0.018 -5.416 -0.436) 5.434 17.604 ( -0.568 -1.236 0.085) 1.362 17.755 ( -1.200 -3.474 0.221) 3.682 17.846 ( 0.237 2.157 -0.672) 2.272 18.029 ( 3.131 1.673 0.135) 3.553 19.653 ( 0.572 -1.541 1.486) 2.216 19.695 ( -0.477 -3.761 -0.701) 3.855 19.708 ( -0.312 -4.106 0.261) 4.126 19.813 ( 1.243 0.054 -0.407) 1.309 19.849 ( -1.118 -0.216 -0.034) 1.140 19.956 ( 1.083 -2.707 -0.295) 2.930 19.992 ( -0.134 -3.053 0.444) 3.088 20.048 ( -1.339 -1.103 0.658) 1.855 20.234 ( 1.352 -1.327 -2.414) 3.069 20.313 ( 0.973 -1.361 -0.719) 1.821 21.033 ( -1.910 -0.082 1.054) 2.184 21.165 ( -1.076 -2.256 -0.966) 2.680 21.336 ( 1.053 0.310 -0.840) 1.383 21.408 ( 2.655 -0.292 0.299) 2.688 27.445 ( 1.001 0.331 0.304) 1.097 27.457 ( 0.214 -0.395 -0.014) 0.449 27.529 ( 0.204 0.791 0.046) 0.818 27.567 ( 0.126 1.111 -0.076) 1.121 28.497 ( -0.224 1.270 0.237) 1.311 28.518 ( -0.260 1.471 -0.250) 1.514 34.678 ( 3.291 9.508 -0.043) 10.061 34.702 ( 3.990 10.248 -0.198) 10.999 35.575 ( -4.167 18.725 2.060) 19.293 36.332 ( -22.039 3.235 -8.423) 23.814 38.156 ( -8.823 18.914 -4.423) 21.334 38.286 ( -3.193 15.246 -0.082) 15.577 38.896 ( -20.134 2.148 8.294) 21.881 39.006 ( -20.122 -0.461 2.655) 20.302 39.816 ( -5.921 2.023 -2.533) 6.751 40.129 ( 0.351 2.345 3.030) 3.848 41.163 ( 25.854 -19.060 4.794) 32.476 41.610 ( 25.025 -17.681 2.047) 30.710 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 11.030 14.755 1.372) 18.473 1.484 ( -4.149 13.189 -4.557) 14.558 1.596 ( 9.266 4.238 6.927) 12.320 1.616 ( 7.519 -3.274 4.891) 9.549 1.739 ( 5.995 -7.476 -1.011) 9.636 1.833 ( 4.577 3.462 3.364) 6.652 1.932 ( 9.056 3.997 12.253) 15.752 2.189 ( 2.837 11.085 -3.153) 11.869 2.230 ( 4.500 8.950 2.070) 10.229 2.425 ( -7.777 6.580 2.493) 10.488 2.534 ( -5.610 10.238 -4.552) 12.530 2.650 ( 1.592 6.464 -4.482) 8.025 2.768 ( 3.178 -0.761 0.962) 3.407 2.863 ( -1.842 11.371 -4.037) 12.207 2.952 ( -2.209 4.360 -0.800) 4.952 3.143 ( -5.780 19.097 -8.009) 21.499 3.306 ( -2.572 -1.545 1.832) 3.516 3.369 ( 0.453 4.836 -2.760) 5.587 3.432 ( -1.735 2.687 -1.591) 3.573 3.507 ( 0.479 7.000 4.194) 8.174 3.680 ( -3.835 -8.485 -1.794) 9.483 3.744 ( -0.371 1.735 -1.450) 2.292 3.919 ( -2.317 1.592 -1.164) 3.043 3.980 ( -1.880 2.790 0.925) 3.489 4.073 ( -2.886 -2.503 0.610) 3.869 4.298 ( -1.983 2.367 0.940) 3.228 4.420 ( -4.220 -1.893 2.419) 5.220 4.519 ( 4.758 0.484 -0.553) 4.814 4.640 ( 7.801 2.011 3.311) 8.710 4.787 ( 2.115 -3.544 -0.824) 4.209 4.983 ( 2.999 6.091 -0.054) 6.789 5.014 ( -0.512 -7.871 -0.528) 7.905 5.240 ( 2.171 7.956 -3.571) 8.986 5.333 ( -2.508 -1.302 -3.039) 4.150 5.391 ( 0.916 -3.802 0.991) 4.035 5.741 ( 3.878 2.069 0.544) 4.429 5.946 ( 0.866 -3.227 -1.775) 3.783 6.061 ( 3.531 6.526 4.038) 8.448 6.191 ( -3.024 -4.743 0.747) 5.674 6.347 ( -1.746 -3.168 -1.285) 3.838 6.501 ( -8.519 -6.215 -2.164) 10.765 6.606 ( -3.333 -2.252 2.128) 4.551 6.920 ( -2.189 1.119 -2.320) 3.380 7.138 ( 1.604 -2.734 1.522) 3.516 8.003 ( 4.894 5.427 3.761) 8.219 8.337 ( 2.650 2.767 0.607) 3.879 8.725 ( -2.856 3.065 -1.762) 4.544 9.014 ( -1.660 5.486 0.011) 5.732 9.967 ( 1.262 0.954 0.070) 1.584 10.136 ( 0.884 -0.894 2.102) 2.449 10.216 ( -2.027 0.710 -1.942) 2.895 10.313 ( -0.537 -0.199 -0.392) 0.694 11.435 ( -2.873 -0.028 -2.267) 3.659 11.670 ( 1.779 3.660 3.757) 5.538 11.944 ( -1.291 4.669 -0.082) 4.844 12.163 ( -5.693 5.242 -0.035) 7.739 12.437 ( -3.390 4.687 1.743) 6.041 12.647 ( 4.970 2.700 -1.165) 5.775 12.941 ( 2.055 -0.427 0.752) 2.229 13.273 ( 0.584 -2.333 0.923) 2.576 13.397 ( 1.805 -7.794 1.068) 8.071 13.771 ( 2.635 -8.582 -7.877) 11.943 13.880 ( -2.548 -2.471 7.160) 7.991 14.070 ( -0.348 -6.535 -1.536) 6.722 14.153 ( 1.858 -6.017 -0.280) 6.303 14.358 ( -1.367 -6.282 -0.788) 6.477 17.596 ( -0.176 -2.528 0.049) 2.535 17.704 ( -2.902 -3.877 0.114) 4.844 17.894 ( 3.580 3.843 -0.666) 5.294 18.071 ( 0.728 3.267 0.161) 3.351 19.655 ( -0.019 -2.409 0.602) 2.483 19.691 ( -0.446 -1.853 0.623) 2.005 19.713 ( 0.914 -3.802 -0.570) 3.951 19.797 ( -1.466 -2.205 -0.920) 2.803 19.868 ( 1.847 -1.116 0.197) 2.167 19.974 ( 0.668 -2.155 -0.107) 2.258 19.986 ( -0.595 -3.319 0.466) 3.404 20.036 ( -0.111 -2.069 0.431) 2.116 20.223 ( -1.441 -1.052 0.996) 2.043 20.352 ( 2.250 -2.233 -3.422) 4.665 20.996 ( -1.601 -1.102 1.108) 2.237 21.144 ( -0.736 -1.376 -0.733) 1.724 21.363 ( 1.454 0.395 -0.596) 1.620 21.455 ( 1.614 -0.833 0.415) 1.863 27.457 ( 0.166 0.145 -0.331) 0.398 27.471 ( 0.879 -0.047 0.617) 1.075 27.534 ( 0.238 0.762 0.103) 0.805 27.570 ( 0.149 1.013 -0.103) 1.029 28.493 ( -0.170 1.329 0.260) 1.365 28.513 ( -0.137 1.349 -0.301) 1.389 34.772 ( 5.357 10.694 -0.341) 11.966 34.813 ( 6.575 10.243 0.033) 12.172 35.460 ( -6.795 17.543 2.351) 18.960 35.854 ( -20.536 10.648 -5.197) 23.709 37.998 ( -5.199 18.173 0.131) 18.903 38.214 ( -3.392 18.523 0.172) 18.832 38.488 ( -19.850 0.152 -6.519) 20.894 38.696 ( -8.787 -0.686 9.827) 13.200 39.738 ( -1.784 5.932 -2.400) 6.644 40.159 ( 1.619 2.243 2.738) 3.892 41.637 ( 18.779 -21.440 2.876) 28.646 41.991 ( 10.986 -19.158 1.484) 22.134 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -1.470 11.847 -1.895) 12.088 1.391 ( 3.087 11.278 0.375) 11.698 1.717 ( 4.138 -4.270 -1.827) 6.220 1.728 ( 1.044 -2.004 0.807) 2.399 1.791 ( -0.129 -3.864 3.972) 5.543 1.941 ( 5.134 1.752 3.400) 6.402 2.085 ( -1.260 -0.493 -4.001) 4.223 2.240 ( -0.819 9.905 -0.130) 9.939 2.289 ( 1.066 11.238 -0.725) 11.311 2.415 ( 9.457 4.813 10.008) 14.587 2.507 ( 1.291 8.826 0.950) 8.971 2.696 ( 2.476 8.397 -1.508) 8.884 2.756 ( -6.551 7.315 -1.301) 9.906 2.879 ( 7.310 11.426 -2.608) 13.812 2.964 ( 2.537 -2.686 -1.258) 3.903 3.070 ( -1.326 12.077 0.589) 12.164 3.219 ( -5.983 -6.577 0.163) 8.893 3.313 ( -5.345 1.340 -5.447) 7.748 3.417 ( 0.287 7.433 0.019) 7.439 3.457 ( -2.069 -3.415 3.165) 5.095 3.556 ( -5.321 -8.821 -0.511) 10.314 3.761 ( 0.449 5.217 2.540) 5.820 3.833 ( -3.202 1.744 -6.168) 7.165 4.021 ( 3.156 0.999 -2.995) 4.464 4.050 ( 1.331 -0.964 2.427) 2.931 4.286 ( -0.540 -0.650 4.642) 4.718 4.313 ( -4.622 0.910 -1.451) 4.929 4.603 ( 2.443 4.527 0.525) 5.171 4.760 ( 2.507 -5.259 0.774) 5.878 4.851 ( 3.466 4.164 0.396) 5.432 4.946 ( -2.243 -1.181 -1.477) 2.934 5.087 ( 3.217 -2.239 1.642) 4.250 5.263 ( -1.057 2.384 -0.061) 2.609 5.299 ( 0.987 9.587 -5.060) 10.885 5.403 ( -0.028 -3.347 1.803) 3.802 5.794 ( 1.240 -1.598 -0.304) 2.046 5.889 ( -3.631 -5.579 -0.656) 6.689 6.157 ( 4.366 2.915 5.186) 7.379 6.184 ( 1.730 3.834 -0.857) 4.293 6.300 ( -3.334 -2.184 -2.058) 4.485 6.360 ( -4.225 -3.300 -1.777) 5.648 6.515 ( -3.109 -0.060 1.057) 3.284 6.985 ( 6.244 -1.120 -0.577) 6.370 7.111 ( -4.255 -2.833 0.416) 5.129 8.134 ( 7.382 0.677 3.098) 8.034 8.301 ( -6.322 -2.219 0.012) 6.700 8.721 ( 2.334 10.016 -2.825) 10.665 8.967 ( -2.383 9.738 0.814) 10.058 9.988 ( 0.601 0.526 0.108) 0.806 10.151 ( 0.055 0.031 2.687) 2.688 10.184 ( -0.424 0.298 -2.784) 2.832 10.300 ( -0.496 0.108 -0.082) 0.514 11.384 ( -1.380 1.689 -1.246) 2.512 11.706 ( 1.146 4.496 1.657) 4.927 11.913 ( -1.380 4.026 -0.384) 4.273 12.066 ( -2.512 9.310 0.276) 9.646 12.402 ( -0.758 3.222 0.746) 3.393 12.725 ( 2.308 2.858 -0.969) 3.799 12.978 ( 0.811 2.388 1.046) 2.730 13.302 ( 1.616 -8.617 -0.198) 8.769 13.414 ( -0.132 -8.345 1.051) 8.412 13.781 ( 0.158 -3.178 -6.898) 7.597 13.840 ( -1.624 -4.451 6.262) 7.852 14.062 ( -0.138 -7.797 -0.516) 7.815 14.222 ( 3.662 -7.881 0.261) 8.694 14.312 ( -2.769 -6.780 -0.698) 7.357 17.599 ( 0.373 -3.474 0.004) 3.494 17.654 ( -1.582 -3.488 0.014) 3.830 17.964 ( 2.659 4.442 -0.281) 5.185 18.063 ( -1.033 4.364 0.112) 4.486 19.660 ( 0.296 -3.606 0.049) 3.618 19.682 ( -0.359 -0.103 0.601) 0.708 19.732 ( 0.899 -1.747 -1.011) 2.209 19.769 ( -1.107 -5.418 0.066) 5.530 19.903 ( 1.248 -1.396 0.175) 1.881 19.970 ( -0.785 -3.705 0.174) 3.791 19.983 ( 0.171 -2.445 -0.023) 2.451 20.037 ( 0.082 -2.162 0.165) 2.169 20.200 ( -0.685 -0.437 0.625) 1.025 20.382 ( 0.832 -2.405 -1.487) 2.947 20.974 ( -0.592 -1.991 0.481) 2.132 21.134 ( -0.219 -1.144 -0.240) 1.189 21.387 ( 0.679 0.447 -0.223) 0.843 21.474 ( 0.366 -0.952 0.239) 1.048 27.458 ( 0.041 0.054 -0.130) 0.147 27.483 ( 0.247 0.312 0.230) 0.460 27.540 ( 0.288 1.102 0.088) 1.142 27.571 ( -0.056 0.632 -0.068) 0.638 28.491 ( -0.049 1.332 0.101) 1.336 28.512 ( -0.014 1.232 -0.120) 1.237 34.871 ( 3.386 12.380 -0.254) 12.837 34.948 ( 5.156 11.067 0.087) 12.210 35.335 ( -4.244 15.976 0.971) 16.559 35.531 ( -9.328 9.034 -1.310) 13.051 37.941 ( -0.769 15.794 0.988) 15.843 38.155 ( -3.466 10.409 -0.045) 10.971 38.185 ( -6.223 11.928 -3.644) 13.939 38.594 ( -2.510 -3.076 3.317) 5.174 39.718 ( -0.318 6.713 -0.973) 6.791 40.187 ( 0.730 2.566 1.086) 2.880 41.927 ( 8.562 -19.981 1.807) 21.814 42.097 ( 0.534 -18.683 -0.561) 18.699 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 17.348 0.000) 17.348 1.391 ( 0.000 18.555 0.000) 18.555 1.532 ( 0.000 8.977 0.000) 8.977 1.621 ( 0.000 1.562 0.000) 1.562 1.638 ( 0.000 9.758 0.000) 9.758 1.909 ( 0.000 5.438 0.000) 5.438 2.088 ( 0.000 1.844 0.000) 1.844 2.366 ( 0.000 15.862 0.000) 15.862 2.473 ( 0.000 15.064 0.000) 15.064 2.572 ( 0.000 -3.610 0.000) 3.610 2.836 ( 0.000 -0.125 0.000) 0.125 2.838 ( 0.000 2.343 0.000) 2.343 2.961 ( 0.000 2.811 0.000) 2.811 3.003 ( 0.000 11.730 0.000) 11.730 3.207 ( 0.000 -0.865 0.000) 0.865 3.260 ( 0.000 -5.460 0.000) 5.460 3.296 ( 0.000 13.222 0.000) 13.222 3.590 ( 0.000 0.364 0.000) 0.364 3.633 ( 0.000 11.517 0.000) 11.517 3.741 ( 0.000 3.819 0.000) 3.819 3.768 ( 0.000 6.373 0.000) 6.373 3.815 ( 0.000 6.482 0.000) 6.482 3.962 ( 0.000 1.299 0.000) 1.299 4.114 ( 0.000 14.888 0.000) 14.888 4.214 ( 0.000 -3.224 0.000) 3.224 4.333 ( 0.000 4.943 0.000) 4.943 4.454 ( 0.000 -7.301 0.000) 7.301 4.481 ( 0.000 1.916 0.000) 1.916 4.504 ( 0.000 -1.215 0.000) 1.215 4.654 ( 0.000 -2.074 0.000) 2.074 4.830 ( 0.000 -3.262 0.000) 3.262 4.865 ( 0.000 -8.457 0.000) 8.457 5.212 ( 0.000 0.914 0.000) 0.914 5.249 ( 0.000 -5.231 0.000) 5.231 5.462 ( 0.000 -0.806 0.000) 0.806 5.727 ( 0.000 -3.422 0.000) 3.422 5.811 ( 0.000 7.254 0.000) 7.254 6.040 ( 0.000 10.247 0.000) 10.247 6.130 ( 0.000 -9.074 0.000) 9.074 6.393 ( 0.000 3.282 0.000) 3.282 6.562 ( 0.000 0.211 0.000) 0.211 6.766 ( 0.000 -4.665 0.000) 4.665 6.811 ( 0.000 -5.649 0.000) 5.649 7.148 ( 0.000 -3.995 0.000) 3.995 8.038 ( 0.000 10.481 0.000) 10.481 8.444 ( 0.000 5.581 0.000) 5.581 8.770 ( 0.000 1.996 0.000) 1.996 8.998 ( 0.000 -3.543 0.000) 3.543 9.955 ( 0.000 0.225 0.000) 0.225 10.086 ( 0.000 -1.275 0.000) 1.275 10.260 ( 0.000 -1.968 0.000) 1.968 10.287 ( 0.000 -1.153 0.000) 1.153 11.487 ( 0.000 0.846 0.000) 0.846 11.644 ( 0.000 1.504 0.000) 1.504 12.076 ( 0.000 3.145 0.000) 3.145 12.165 ( 0.000 -0.172 0.000) 0.172 12.552 ( 0.000 4.661 0.000) 4.661 12.724 ( 0.000 3.421 0.000) 3.421 12.991 ( 0.000 -5.966 0.000) 5.966 13.143 ( 0.000 -9.974 0.000) 9.974 13.365 ( 0.000 4.693 0.000) 4.693 13.453 ( 0.000 0.071 0.000) 0.071 13.823 ( 0.000 -3.912 0.000) 3.912 13.901 ( 0.000 -7.755 0.000) 7.755 14.206 ( 0.000 -1.773 0.000) 1.773 14.245 ( 0.000 -6.936 0.000) 6.936 17.598 ( 0.000 -0.931 0.000) 0.931 17.710 ( 0.000 -2.180 0.000) 2.180 17.882 ( 0.000 1.076 0.000) 1.076 17.992 ( 0.000 0.452 0.000) 0.452 19.616 ( 0.000 -1.120 0.000) 1.120 19.618 ( 0.000 -4.051 0.000) 4.051 19.625 ( 0.000 -3.911 0.000) 3.911 19.785 ( 0.000 -2.656 0.000) 2.656 19.854 ( 0.000 -0.995 0.000) 0.995 19.871 ( 0.000 -3.075 0.000) 3.075 19.991 ( 0.000 2.154 0.000) 2.154 20.051 ( 0.000 -1.259 0.000) 1.259 20.215 ( 0.000 0.714 0.000) 0.714 20.285 ( 0.000 -1.055 0.000) 1.055 21.056 ( 0.000 -0.198 0.000) 0.198 21.123 ( 0.000 -2.447 0.000) 2.447 21.321 ( 0.000 -0.417 0.000) 0.417 21.383 ( 0.000 0.382 0.000) 0.382 27.439 ( 0.000 0.308 0.000) 0.308 27.451 ( 0.000 -0.095 0.000) 0.095 27.543 ( 0.000 0.645 0.000) 0.645 27.579 ( 0.000 0.337 0.000) 0.337 28.524 ( 0.000 1.172 0.000) 1.172 28.547 ( 0.000 1.000 0.000) 1.000 34.846 ( 0.000 9.845 0.000) 9.845 34.865 ( 0.000 10.073 0.000) 10.073 35.983 ( 0.000 16.442 0.000) 16.442 36.516 ( 0.000 -2.700 0.000) 2.700 38.394 ( 0.000 3.712 0.000) 3.712 38.680 ( 0.000 17.699 0.000) 17.699 39.071 ( 0.000 -8.330 0.000) 8.330 39.333 ( 0.000 0.830 0.000) 0.830 39.888 ( 0.000 2.582 0.000) 2.582 40.216 ( 0.000 4.959 0.000) 4.959 40.599 ( 0.000 -9.612 0.000) 9.612 40.976 ( 0.000 -12.771 0.000) 12.771 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 4.742 15.100 -0.291) 15.830 1.485 ( 1.488 1.619 -3.811) 4.400 1.534 ( 6.736 15.014 8.346) 18.451 1.629 ( 2.645 6.143 3.264) 7.443 1.753 ( 7.163 7.209 -0.189) 10.164 1.924 ( 2.706 5.646 4.932) 7.971 1.944 ( -10.529 5.015 -4.210) 12.399 2.389 ( -3.556 10.406 1.030) 11.045 2.451 ( -1.378 12.746 5.844) 14.089 2.539 ( 0.470 -0.678 -1.005) 1.300 2.777 ( -5.722 -0.324 3.681) 6.811 2.826 ( -6.592 4.719 -3.264) 8.739 2.845 ( -0.320 8.970 -7.296) 11.567 3.028 ( -1.816 6.137 -2.318) 6.807 3.104 ( -2.703 -0.283 -0.983) 2.890 3.241 ( -1.358 -3.726 0.896) 4.066 3.406 ( 2.871 5.829 0.029) 6.498 3.532 ( -5.279 -3.430 -0.062) 6.296 3.623 ( -3.316 9.695 -2.468) 10.540 3.699 ( -2.290 2.358 -1.072) 3.457 3.771 ( 0.916 4.311 2.135) 4.897 3.834 ( 2.520 16.524 -7.180) 18.192 3.959 ( -2.522 4.189 4.302) 6.513 4.081 ( -0.333 5.364 3.833) 6.601 4.238 ( -3.311 6.161 0.715) 7.031 4.313 ( -0.668 -2.406 -2.979) 3.887 4.389 ( -2.011 -3.402 0.964) 4.068 4.469 ( -1.334 -1.337 -5.374) 5.697 4.521 ( 1.567 -5.347 4.338) 7.062 4.690 ( 4.344 1.922 1.841) 5.095 4.823 ( 1.093 -6.875 -1.641) 7.152 4.939 ( 4.043 -3.029 -1.028) 5.155 5.238 ( 0.414 -6.171 -1.659) 6.403 5.279 ( 3.791 -0.505 6.644) 7.666 5.439 ( -1.226 4.025 -2.563) 4.927 5.723 ( 1.220 1.247 3.185) 3.631 5.921 ( 2.062 -0.463 -6.437) 6.775 5.999 ( 2.799 -0.127 0.977) 2.968 6.148 ( -0.008 -1.991 1.402) 2.435 6.388 ( 0.748 7.834 -2.042) 8.130 6.565 ( -8.328 -3.612 2.338) 9.374 6.596 ( -0.056 -0.301 1.568) 1.597 6.943 ( 4.192 -3.952 -3.478) 6.730 7.109 ( -2.660 -1.211 1.094) 3.121 8.072 ( 2.148 8.657 2.709) 9.322 8.391 ( -2.722 3.109 -2.292) 4.726 8.798 ( 1.021 2.404 1.316) 2.925 9.043 ( 4.253 0.293 -0.804) 4.338 9.963 ( 0.766 0.285 0.224) 0.847 10.092 ( 0.494 -1.384 1.100) 1.836 10.251 ( -0.947 -1.135 -0.993) 1.780 10.287 ( 0.130 -1.776 -0.251) 1.798 11.478 ( -1.006 0.492 -0.923) 1.451 11.675 ( 2.705 2.234 2.474) 4.292 12.060 ( -1.699 3.374 0.801) 3.861 12.173 ( 1.017 -1.585 -1.237) 2.254 12.606 ( 4.614 4.681 -1.863) 6.831 12.672 ( -5.214 4.047 2.424) 7.032 12.925 ( -3.332 -2.899 0.309) 4.427 13.160 ( 1.210 -10.577 -1.086) 10.701 13.347 ( -1.823 4.214 1.331) 4.780 13.529 ( 5.558 -3.223 -1.754) 6.660 13.835 ( 0.768 -3.386 0.826) 3.569 13.907 ( 0.805 -7.607 0.426) 7.661 14.146 ( -4.633 -2.396 -0.985) 5.308 14.245 ( -0.679 -6.776 0.091) 6.810 17.577 ( -1.593 -1.397 -0.173) 2.126 17.689 ( -2.277 -2.939 0.355) 3.735 17.895 ( 2.293 2.566 -0.514) 3.480 18.048 ( 3.917 0.340 0.082) 3.932 19.600 ( -0.870 -3.380 0.131) 3.493 19.615 ( -0.239 -3.848 -0.083) 3.856 19.641 ( 0.974 -2.036 0.618) 2.340 19.779 ( -0.720 -3.417 -1.133) 3.671 19.844 ( -0.215 -0.143 0.414) 0.488 19.887 ( 0.889 -3.236 0.042) 3.356 19.991 ( -0.083 1.813 0.372) 1.853 20.030 ( -1.456 -0.858 -0.024) 1.691 20.223 ( 0.112 -0.063 -0.266) 0.296 20.293 ( 1.025 -0.828 -0.479) 1.402 21.031 ( -2.242 -0.152 1.596) 2.756 21.121 ( -0.084 -1.986 -1.271) 2.359 21.335 ( 1.272 -0.296 -0.754) 1.508 21.400 ( 1.399 -0.447 0.589) 1.582 27.448 ( 0.669 0.006 0.239) 0.711 27.455 ( 0.454 0.162 -0.230) 0.534 27.543 ( 0.031 0.538 0.064) 0.542 27.582 ( 0.230 0.392 -0.021) 0.455 28.522 ( -0.139 1.206 0.093) 1.218 28.544 ( -0.239 1.062 -0.139) 1.097 34.878 ( 3.369 9.838 0.089) 10.399 34.913 ( 4.213 10.079 -0.092) 10.924 35.932 ( -4.951 16.054 1.936) 16.911 36.365 ( -13.402 0.915 -4.081) 14.040 38.358 ( -3.199 5.307 0.046) 6.197 38.639 ( -4.172 15.898 -2.476) 16.622 38.865 ( -16.430 -3.473 -0.434) 16.798 39.049 ( -19.904 3.688 3.801) 20.597 39.892 ( -0.373 5.418 -1.777) 5.714 40.202 ( -0.086 4.849 3.873) 6.206 40.833 ( 19.222 -14.208 0.481) 23.908 41.257 ( 19.436 -17.436 -0.042) 26.111 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.845 4.732 -3.034) 8.109 1.523 ( 4.014 2.481 -3.806) 6.062 1.641 ( 1.675 -0.273 2.984) 3.433 1.683 ( -5.626 2.979 -3.839) 7.434 1.767 ( 0.534 9.033 5.270) 10.472 1.851 ( 3.607 3.151 -0.569) 4.823 2.125 ( 10.807 11.104 12.246) 19.749 2.297 ( -3.401 3.354 -1.845) 5.121 2.362 ( -2.857 3.881 -1.613) 5.082 2.612 ( 2.695 9.491 10.561) 14.453 2.657 ( -3.220 4.230 -0.261) 5.323 2.713 ( -4.924 3.063 1.646) 6.028 2.841 ( 1.066 7.639 -7.719) 10.912 2.972 ( -0.686 5.848 -0.442) 5.904 3.086 ( -2.791 -3.117 -0.661) 4.236 3.215 ( 0.276 -5.181 -1.251) 5.337 3.298 ( -10.179 -6.155 -1.607) 12.003 3.451 ( -4.638 2.653 -1.561) 5.567 3.540 ( -3.139 5.629 -4.196) 7.690 3.618 ( -3.661 10.534 -1.289) 11.227 3.751 ( -5.225 5.879 -0.718) 7.898 3.850 ( -3.787 6.320 3.883) 8.329 3.953 ( 4.555 8.602 -3.286) 10.273 4.065 ( -1.749 3.144 -0.196) 3.603 4.145 ( -2.414 10.495 -0.940) 10.810 4.259 ( -3.903 -5.187 0.059) 6.492 4.372 ( -3.260 -1.897 1.185) 3.954 4.475 ( 4.890 -7.076 -1.941) 8.817 4.596 ( 4.160 -4.812 6.519) 9.108 4.778 ( 1.945 -6.170 -2.838) 7.065 4.896 ( 6.206 4.781 1.318) 7.944 5.002 ( 2.515 -2.476 -2.925) 4.584 5.242 ( 0.337 -6.387 0.526) 6.417 5.325 ( -0.398 -3.763 -0.699) 3.848 5.460 ( 2.831 10.322 3.719) 11.331 5.742 ( -1.349 -2.068 -2.388) 3.435 5.877 ( 0.277 -1.305 2.558) 2.885 6.066 ( -0.981 -5.136 0.214) 5.233 6.214 ( 6.064 -1.591 -5.127) 8.099 6.365 ( -6.024 4.060 5.231) 8.952 6.434 ( 0.621 7.559 -1.687) 7.770 6.651 ( 2.399 5.664 -0.155) 6.153 6.924 ( -2.445 -0.218 -2.611) 3.583 7.104 ( 0.645 -0.261 1.067) 1.274 8.105 ( 1.050 4.310 1.852) 4.807 8.346 ( -2.960 -1.540 1.693) 3.741 8.832 ( 3.495 6.933 -2.259) 8.086 9.129 ( 3.171 5.536 0.063) 6.380 9.982 ( 0.934 0.397 0.385) 1.085 10.110 ( 1.088 -1.530 2.198) 2.891 10.219 ( -1.880 -0.460 -2.173) 2.910 10.289 ( -0.004 -2.002 -0.327) 2.028 11.447 ( -1.510 1.148 -1.762) 2.589 11.740 ( 2.786 3.046 3.082) 5.152 12.015 ( -2.453 2.330 0.099) 3.385 12.193 ( 0.581 -0.582 -1.411) 1.633 12.544 ( -5.619 5.201 3.146) 8.278 12.716 ( 5.174 3.939 -2.134) 6.844 12.915 ( 2.108 -2.163 0.450) 3.053 13.173 ( -0.453 -10.966 -0.559) 10.990 13.303 ( -2.205 2.122 2.107) 3.715 13.628 ( 4.224 -5.145 -4.381) 7.969 13.831 ( -1.698 -2.588 3.302) 4.526 13.942 ( 1.869 -6.162 -0.038) 6.439 14.052 ( -3.056 -4.016 -0.912) 5.128 14.214 ( -2.204 -7.698 -0.265) 8.012 17.547 ( -1.080 -2.213 -0.139) 2.466 17.633 ( -2.635 -3.016 0.160) 4.008 17.967 ( 4.058 3.286 -0.375) 5.235 18.114 ( 2.101 1.174 0.085) 2.409 19.584 ( -0.557 -3.681 -0.284) 3.733 19.619 ( 0.457 -4.576 0.292) 4.608 19.657 ( 0.471 -1.854 0.614) 2.009 19.751 ( -1.661 -2.854 -1.018) 3.456 19.851 ( 0.740 -0.406 0.214) 0.871 19.899 ( 0.268 -3.276 0.152) 3.290 19.987 ( -0.285 0.784 0.311) 0.890 20.008 ( -0.602 -0.489 -0.025) 0.776 20.211 ( -0.966 -0.227 0.778) 1.261 20.323 ( 1.758 -0.978 -1.699) 2.633 20.983 ( -2.305 -0.293 1.850) 2.970 21.117 ( -0.149 -1.251 -1.340) 1.839 21.364 ( 1.398 -0.302 -0.585) 1.545 21.429 ( 1.153 -1.473 0.546) 1.949 27.456 ( 0.267 -0.015 -0.240) 0.359 27.472 ( 0.893 0.170 0.278) 0.951 27.546 ( 0.369 0.479 0.091) 0.611 27.585 ( 0.019 0.398 -0.051) 0.401 28.519 ( -0.135 1.243 0.071) 1.252 28.539 ( -0.189 1.149 -0.118) 1.171 34.984 ( 6.620 10.058 -0.355) 12.046 35.026 ( 6.519 10.153 0.450) 12.074 35.796 ( -8.047 15.097 2.500) 17.289 36.024 ( -17.351 6.765 -4.141) 19.078 38.280 ( -4.096 9.266 0.863) 10.168 38.436 ( -13.582 1.383 -5.720) 14.802 38.625 ( -5.435 14.487 1.517) 15.547 38.702 ( -12.863 2.137 4.051) 13.654 39.880 ( -0.325 7.924 -2.123) 8.210 40.234 ( 2.103 5.359 3.464) 6.719 41.235 ( 17.761 -18.228 0.652) 25.458 41.583 ( 10.690 -20.815 0.034) 23.400 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.865 -2.286 -3.740) 5.236 1.585 ( 3.165 9.297 -1.170) 9.890 1.657 ( 4.293 -1.545 -2.010) 4.985 1.683 ( 2.100 -1.537 -0.109) 2.605 1.758 ( -2.921 1.143 2.872) 4.253 1.964 ( 5.781 1.928 5.865) 8.458 2.076 ( -6.072 0.812 -5.153) 8.005 2.315 ( 0.864 1.179 -2.854) 3.207 2.456 ( 4.271 3.511 2.839) 6.215 2.604 ( -5.094 0.438 1.928) 5.464 2.629 ( -0.989 14.413 4.372) 15.094 2.716 ( 7.476 1.997 9.943) 12.600 2.899 ( 4.098 3.824 0.174) 5.608 2.928 ( -7.603 -4.314 -2.646) 9.133 3.048 ( 4.952 3.820 0.083) 6.255 3.139 ( -2.958 1.700 -5.355) 6.349 3.268 ( 2.247 -1.164 -2.921) 3.865 3.287 ( -7.191 0.979 -0.499) 7.274 3.448 ( -7.407 3.022 -3.277) 8.646 3.592 ( -0.100 12.650 2.231) 12.846 3.605 ( -3.792 4.893 -3.365) 7.046 3.772 ( -2.954 2.220 3.294) 4.951 4.032 ( -0.158 11.751 0.239) 11.755 4.046 ( 2.264 4.013 -3.163) 5.589 4.113 ( -1.221 5.078 -0.690) 5.268 4.211 ( -0.211 -2.923 0.818) 3.042 4.312 ( -2.183 -2.335 0.756) 3.284 4.566 ( 2.732 -10.405 -1.107) 10.814 4.684 ( 3.287 -0.129 6.336) 7.139 4.776 ( -1.212 -8.610 -3.310) 9.303 5.001 ( 2.887 2.479 1.142) 3.973 5.029 ( 0.103 -1.907 -3.309) 3.820 5.262 ( 1.173 -1.331 1.588) 2.381 5.315 ( 0.147 -4.260 -2.463) 4.923 5.485 ( -0.750 5.573 3.204) 6.472 5.714 ( -0.036 -4.342 -1.380) 4.556 5.905 ( 0.368 5.301 1.480) 5.516 6.077 ( 2.411 -4.993 0.997) 5.634 6.187 ( -3.816 -6.850 -3.111) 8.436 6.377 ( 1.860 6.817 3.613) 7.937 6.439 ( 0.377 10.021 -2.049) 10.235 6.638 ( -2.124 11.489 -0.903) 11.718 6.968 ( 5.789 0.615 -0.262) 5.828 7.077 ( -3.621 0.122 0.159) 3.627 8.141 ( 2.333 -0.231 0.889) 2.507 8.261 ( -4.372 -1.655 0.680) 4.724 8.918 ( 3.423 9.235 -1.006) 9.900 9.161 ( 0.228 9.195 0.038) 9.198 9.998 ( 0.419 0.414 0.200) 0.622 10.140 ( 1.392 -1.166 3.159) 3.644 10.177 ( -1.679 -0.844 -3.244) 3.749 10.286 ( -0.221 -1.602 -0.087) 1.620 11.422 ( -0.637 2.006 -0.869) 2.277 11.787 ( 1.295 3.273 1.371) 3.778 11.970 ( -1.455 1.700 -0.249) 2.251 12.191 ( -0.242 3.092 -0.647) 3.168 12.472 ( -1.670 3.909 1.603) 4.543 12.794 ( 2.183 3.544 -1.034) 4.289 12.988 ( 3.983 -2.646 0.330) 4.793 13.127 ( -3.333 -9.197 -0.210) 9.785 13.278 ( -0.467 -2.353 1.106) 2.641 13.698 ( 3.174 -5.088 -5.046) 7.837 13.781 ( -3.056 -1.064 4.527) 5.564 13.942 ( -0.820 -4.292 -0.317) 4.382 14.061 ( 2.492 -7.704 -0.046) 8.097 14.160 ( -2.580 -8.013 -0.271) 8.423 17.534 ( -0.243 -2.899 -0.050) 2.910 17.593 ( -1.137 -2.611 0.034) 2.849 18.039 ( 2.432 2.974 -0.142) 3.844 18.132 ( -0.103 2.482 0.053) 2.485 19.578 ( -0.041 -4.005 -0.139) 4.008 19.629 ( 0.380 -5.205 0.120) 5.220 19.662 ( 0.037 -2.020 0.124) 2.024 19.721 ( -0.852 -1.865 -0.246) 2.065 19.867 ( 0.545 -1.361 -0.026) 1.466 19.899 ( -0.173 -2.853 0.182) 2.864 19.985 ( 0.008 1.252 0.127) 1.258 20.000 ( -0.246 -1.485 -0.040) 1.506 20.195 ( -0.484 -0.037 0.412) 0.636 20.350 ( 0.783 -1.105 -0.870) 1.610 20.949 ( -0.957 -0.563 0.833) 1.388 21.113 ( -0.066 -0.847 -0.542) 1.008 21.386 ( 0.645 -0.437 -0.221) 0.810 21.445 ( 0.302 -1.815 0.232) 1.855 27.460 ( 0.102 0.173 -0.138) 0.244 27.485 ( 0.269 0.054 0.158) 0.317 27.558 ( 0.578 0.543 0.081) 0.797 27.582 ( -0.318 0.329 -0.064) 0.462 28.518 ( -0.048 1.237 0.014) 1.238 28.537 ( -0.048 1.186 -0.031) 1.187 35.114 ( 4.566 11.053 -0.624) 11.975 35.166 ( 5.731 10.045 0.839) 11.595 35.647 ( -5.017 14.138 1.385) 15.066 35.714 ( -10.290 8.966 -1.982) 13.791 38.204 ( -3.402 6.708 0.077) 7.522 38.232 ( -4.025 7.265 -1.817) 8.502 38.528 ( -3.659 -2.710 0.817) 4.626 38.566 ( -1.839 17.409 1.031) 17.536 39.875 ( -0.012 8.722 -0.899) 8.768 40.273 ( 1.026 6.106 1.337) 6.334 41.521 ( 9.024 -19.654 0.492) 21.632 41.690 ( 0.517 -21.043 -0.255) 21.051 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 0.648 0.000) 0.648 1.550 ( 0.000 8.725 0.000) 8.725 1.636 ( 0.000 2.151 0.000) 2.151 1.832 ( 0.000 9.010 0.000) 9.010 1.977 ( 0.000 22.759 0.000) 22.759 1.986 ( 0.000 2.109 0.000) 2.109 2.108 ( 0.000 0.362 0.000) 0.362 2.469 ( 0.000 -3.780 0.000) 3.780 2.544 ( 0.000 -0.284 0.000) 0.284 2.739 ( 0.000 2.166 0.000) 2.166 2.832 ( 0.000 -1.656 0.000) 1.656 2.877 ( 0.000 12.559 0.000) 12.559 3.057 ( 0.000 4.614 0.000) 4.614 3.162 ( 0.000 -0.484 0.000) 0.484 3.229 ( 0.000 10.135 0.000) 10.135 3.236 ( 0.000 0.173 0.000) 0.173 3.474 ( 0.000 5.091 0.000) 5.091 3.517 ( 0.000 -5.797 0.000) 5.797 3.638 ( 0.000 -3.544 0.000) 3.544 3.834 ( 0.000 2.349 0.000) 2.349 3.877 ( 0.000 3.845 0.000) 3.845 3.983 ( 0.000 0.290 0.000) 0.290 4.046 ( 0.000 12.639 0.000) 12.639 4.130 ( 0.000 -6.733 0.000) 6.733 4.226 ( 0.000 -9.135 0.000) 9.135 4.298 ( 0.000 3.390 0.000) 3.390 4.416 ( 0.000 4.511 0.000) 4.511 4.496 ( 0.000 -0.790 0.000) 0.790 4.564 ( 0.000 3.032 0.000) 3.032 4.623 ( 0.000 -5.450 0.000) 5.450 4.772 ( 0.000 -1.692 0.000) 1.692 4.818 ( 0.000 7.476 0.000) 7.476 5.101 ( 0.000 -8.949 0.000) 8.949 5.164 ( 0.000 -4.870 0.000) 4.870 5.489 ( 0.000 2.282 0.000) 2.282 5.677 ( 0.000 -1.451 0.000) 1.451 5.871 ( 0.000 -1.463 0.000) 1.463 5.974 ( 0.000 -5.880 0.000) 5.880 6.231 ( 0.000 9.984 0.000) 9.984 6.571 ( 0.000 0.826 0.000) 0.826 6.605 ( 0.000 12.216 0.000) 12.216 6.692 ( 0.000 -5.608 0.000) 5.608 6.753 ( 0.000 3.439 0.000) 3.439 7.058 ( 0.000 -5.164 0.000) 5.164 8.227 ( 0.000 7.541 0.000) 7.541 8.531 ( 0.000 3.027 0.000) 3.027 8.787 ( 0.000 -0.003 0.000) 0.003 8.924 ( 0.000 -3.628 0.000) 3.628 9.938 ( 0.000 -1.463 0.000) 1.463 10.070 ( 0.000 -0.285 0.000) 0.285 10.212 ( 0.000 -2.231 0.000) 2.231 10.275 ( 0.000 -0.325 0.000) 0.325 11.503 ( 0.000 0.711 0.000) 0.711 11.680 ( 0.000 1.623 0.000) 1.623 12.116 ( 0.000 1.486 0.000) 1.486 12.175 ( 0.000 0.396 0.000) 0.396 12.654 ( 0.000 5.221 0.000) 5.221 12.782 ( 0.000 2.453 0.000) 2.453 12.871 ( 0.000 -5.678 0.000) 5.678 12.970 ( 0.000 -6.907 0.000) 6.907 13.448 ( 0.000 2.714 0.000) 2.714 13.484 ( 0.000 3.310 0.000) 3.310 13.757 ( 0.000 -6.228 0.000) 6.228 13.761 ( 0.000 -2.091 0.000) 2.091 14.110 ( 0.000 -5.860 0.000) 5.860 14.165 ( 0.000 -1.981 0.000) 1.981 17.580 ( 0.000 -0.704 0.000) 0.704 17.674 ( 0.000 -1.350 0.000) 1.350 17.903 ( 0.000 0.901 0.000) 0.901 17.997 ( 0.000 0.098 0.000) 0.098 19.555 ( 0.000 -2.156 0.000) 2.156 19.564 ( 0.000 -2.095 0.000) 2.095 19.601 ( 0.000 -0.253 0.000) 0.253 19.714 ( 0.000 -3.350 0.000) 3.350 19.822 ( 0.000 -1.672 0.000) 1.672 19.848 ( 0.000 0.021 0.000) 0.021 20.028 ( 0.000 -0.869 0.000) 0.869 20.035 ( 0.000 1.741 0.000) 1.741 20.227 ( 0.000 0.482 0.000) 0.482 20.267 ( 0.000 -0.756 0.000) 0.756 21.052 ( 0.000 -0.221 0.000) 0.221 21.084 ( 0.000 -1.323 0.000) 1.323 21.314 ( 0.000 -0.268 0.000) 0.268 21.386 ( 0.000 0.033 0.000) 0.033 27.444 ( 0.000 0.180 0.000) 0.180 27.450 ( 0.000 -0.027 0.000) 0.027 27.552 ( 0.000 0.287 0.000) 0.287 27.582 ( 0.000 0.002 0.000) 0.002 28.544 ( 0.000 0.808 0.000) 0.808 28.561 ( 0.000 0.332 0.000) 0.332 35.011 ( 0.000 6.098 0.000) 6.098 35.036 ( 0.000 6.385 0.000) 6.385 36.245 ( 0.000 9.222 0.000) 9.222 36.478 ( 0.000 -1.204 0.000) 1.204 38.472 ( 0.000 3.866 0.000) 3.866 38.898 ( 0.000 -7.837 0.000) 7.837 38.960 ( 0.000 10.057 0.000) 10.057 39.337 ( 0.000 -0.413 0.000) 0.413 39.996 ( 0.000 7.535 0.000) 7.535 40.340 ( 0.000 7.411 0.000) 7.411 40.396 ( 0.000 -10.310 0.000) 10.310 40.728 ( 0.000 -11.756 0.000) 11.756 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.448 1.026 -2.151) 2.425 1.582 ( 1.353 4.129 -0.548) 4.379 1.653 ( 2.157 6.509 3.379) 7.645 1.799 ( -1.999 5.724 -2.053) 6.401 1.921 ( -3.502 2.574 -5.604) 7.092 2.042 ( -4.209 5.942 -0.424) 7.294 2.127 ( 9.839 15.816 9.516) 20.917 2.445 ( -2.250 -2.010 -2.943) 4.215 2.575 ( 1.428 2.942 0.076) 3.271 2.681 ( -6.848 4.657 5.111) 9.732 2.790 ( -5.632 3.476 3.880) 7.672 2.855 ( 1.473 -2.042 -1.616) 2.991 3.005 ( -5.312 7.401 -0.281) 9.115 3.073 ( -0.536 2.483 -1.360) 2.881 3.139 ( -4.112 2.000 1.093) 4.702 3.279 ( -9.718 1.692 -2.128) 10.091 3.330 ( -8.166 -4.261 -4.704) 10.343 3.525 ( 2.771 1.835 -0.438) 3.353 3.674 ( 1.356 -1.609 2.251) 3.082 3.795 ( -4.376 2.654 -4.054) 6.529 3.844 ( -0.687 3.216 0.317) 3.304 3.989 ( -1.226 1.425 3.502) 3.975 4.115 ( 3.048 8.231 -4.565) 9.894 4.133 ( -0.155 -3.434 3.972) 5.253 4.200 ( -0.257 -5.308 -3.062) 6.134 4.305 ( -4.723 0.750 4.712) 6.714 4.355 ( 2.174 -1.506 3.185) 4.140 4.429 ( -4.882 1.844 -1.928) 5.563 4.559 ( -3.346 5.859 -1.936) 7.019 4.606 ( 1.362 -6.499 -4.162) 7.837 4.844 ( 7.477 0.392 -0.364) 7.496 4.910 ( 4.723 5.461 1.785) 7.437 5.078 ( -1.308 -8.860 -1.928) 9.162 5.218 ( 3.411 -4.370 3.798) 6.720 5.527 ( 3.179 2.596 1.146) 4.262 5.735 ( 4.769 0.327 4.774) 6.756 5.848 ( -5.128 -4.876 -3.602) 7.940 5.922 ( 0.145 -4.659 -2.313) 5.204 6.200 ( -3.311 3.587 -2.704) 5.580 6.549 ( -4.755 1.674 4.238) 6.586 6.600 ( 0.327 5.274 2.243) 5.741 6.683 ( 6.582 12.026 -3.057) 14.046 6.888 ( 5.976 -1.140 -2.640) 6.631 7.069 ( 1.360 -2.885 1.145) 3.389 8.225 ( -1.344 6.267 2.202) 6.777 8.404 ( -7.122 -1.549 -1.576) 7.457 8.861 ( 4.269 3.905 -0.769) 5.836 9.035 ( 9.302 -1.433 0.511) 9.425 9.951 ( 1.155 -1.205 0.723) 1.819 10.073 ( 0.197 -0.458 0.835) 0.972 10.209 ( -0.185 -2.339 -1.065) 2.577 10.267 ( -0.737 -0.464 -0.368) 0.946 11.493 ( -0.822 0.782 -1.028) 1.531 11.714 ( 2.875 1.432 2.273) 3.935 12.108 ( -1.860 1.778 0.247) 2.585 12.157 ( -0.150 -0.373 -1.113) 1.184 12.701 ( 3.892 4.463 -1.750) 6.175 12.743 ( -4.006 3.391 2.560) 5.839 12.859 ( -0.534 -3.327 0.388) 3.392 12.957 ( -0.586 -8.920 -1.020) 8.997 13.437 ( -1.609 4.105 -0.408) 4.428 13.507 ( 2.261 0.701 0.115) 2.370 13.759 ( 0.246 -5.446 0.204) 5.455 13.788 ( 2.320 -2.632 0.141) 3.511 14.079 ( -3.043 -4.283 -0.476) 5.276 14.132 ( -2.761 -3.520 0.192) 4.478 17.553 ( -2.118 -0.858 -0.238) 2.297 17.642 ( -2.651 -1.658 0.330) 3.144 17.941 ( 3.391 1.817 -0.365) 3.864 18.047 ( 3.888 -0.350 0.072) 3.904 19.544 ( -0.841 -1.961 -0.293) 2.154 19.554 ( -0.614 -2.136 0.223) 2.233 19.616 ( 0.880 -0.575 0.333) 1.103 19.708 ( -0.529 -3.126 -0.658) 3.238 19.826 ( 0.367 -1.455 1.212) 1.929 19.854 ( 0.461 -0.219 -0.960) 1.088 20.007 ( -1.622 -0.562 -0.044) 1.718 20.035 ( -0.133 1.415 0.153) 1.430 20.224 ( -0.465 0.140 0.470) 0.676 20.278 ( 1.159 -0.592 -0.520) 1.402 21.028 ( -2.114 -0.079 1.808) 2.783 21.089 ( 0.459 -1.153 -1.487) 1.937 21.328 ( 1.273 -0.321 -0.686) 1.481 21.392 ( 0.452 -0.328 0.577) 0.803 27.450 ( 0.452 0.198 0.044) 0.496 27.457 ( 0.693 -0.016 -0.087) 0.699 27.552 ( -0.013 0.343 0.051) 0.347 27.584 ( 0.162 -0.121 -0.020) 0.203 28.543 ( -0.115 0.796 -0.060) 0.806 28.559 ( -0.127 0.407 0.011) 0.426 35.047 ( 3.502 6.439 0.384) 7.340 35.078 ( 3.938 5.893 -0.329) 7.095 36.188 ( -5.449 9.074 1.338) 10.669 36.378 ( -9.260 0.339 -1.595) 9.402 38.437 ( -3.040 2.914 0.577) 4.250 38.727 ( -12.823 -3.728 -7.107) 15.127 38.948 ( -2.588 8.863 4.712) 10.365 39.110 ( -17.690 1.979 0.747) 17.816 40.022 ( 1.407 7.143 -1.296) 7.395 40.301 ( 0.438 3.354 5.749) 6.671 40.610 ( 15.623 -6.286 -2.324) 17.000 40.927 ( 14.547 -15.161 -0.626) 21.021 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -2.980 -0.183 -4.689) 5.559 1.598 ( 1.349 0.568 -1.338) 1.983 1.657 ( -3.404 0.664 1.412) 3.744 1.759 ( -0.959 5.911 -0.735) 6.034 1.866 ( -1.544 1.623 -3.423) 4.091 2.003 ( 0.972 9.238 3.787) 10.031 2.285 ( -1.775 4.256 1.037) 4.726 2.381 ( -10.622 4.450 -3.000) 11.901 2.469 ( 6.802 7.500 3.971) 10.876 2.666 ( -1.607 -1.565 2.881) 3.651 2.692 ( -4.340 0.585 3.249) 5.453 2.887 ( -1.195 -4.663 2.173) 5.282 2.914 ( -3.287 8.398 9.152) 12.849 3.028 ( -4.906 -5.593 -1.050) 7.513 3.050 ( -3.670 -1.695 -0.878) 4.137 3.102 ( 1.891 6.682 -4.212) 8.122 3.215 ( -2.954 2.998 -5.237) 6.719 3.512 ( -2.931 -0.480 -2.785) 4.072 3.658 ( -6.381 4.939 -5.469) 9.748 3.723 ( 2.037 2.254 2.496) 3.932 3.801 ( -6.042 0.174 -2.778) 6.653 3.909 ( -4.311 0.771 3.014) 5.317 4.109 ( -3.152 3.500 -1.231) 4.869 4.128 ( -1.146 -5.814 0.697) 5.967 4.186 ( -0.238 5.425 0.102) 5.431 4.314 ( 4.513 -3.968 -0.196) 6.013 4.330 ( -3.528 2.072 -1.155) 4.251 4.426 ( 1.238 6.971 1.371) 7.212 4.492 ( -0.536 -3.171 6.460) 7.216 4.654 ( 2.604 -4.223 -3.961) 6.349 4.950 ( 4.571 -1.982 -4.855) 6.956 4.967 ( -2.269 -3.367 0.167) 4.064 5.126 ( 6.891 -0.656 0.968) 6.989 5.264 ( 0.307 -2.716 4.599) 5.350 5.593 ( 1.608 3.656 0.857) 4.085 5.671 ( -5.705 -3.510 -3.543) 7.578 5.909 ( 7.540 1.907 5.755) 9.676 5.958 ( 1.915 -4.801 -0.324) 5.179 6.109 ( -3.638 -4.617 -6.265) 8.591 6.486 ( -1.741 4.396 3.670) 5.985 6.600 ( -0.757 6.299 -0.367) 6.355 6.848 ( 8.085 11.918 -2.588) 14.632 6.947 ( 1.106 2.873 0.245) 3.088 7.116 ( 2.139 0.797 0.318) 2.305 8.165 ( -3.372 1.608 -0.123) 3.738 8.301 ( -3.808 -2.303 1.880) 4.831 8.969 ( 6.201 5.968 -2.062) 8.850 9.217 ( 7.205 2.907 0.839) 7.815 9.982 ( 1.592 -0.284 0.978) 1.890 10.083 ( 0.718 -1.026 1.572) 2.010 10.196 ( -1.080 -1.679 -1.983) 2.814 10.249 ( -0.721 -1.502 -0.464) 1.729 11.472 ( -0.880 1.106 -1.362) 1.963 11.783 ( 3.052 1.273 2.775) 4.317 12.043 ( -3.462 0.723 0.167) 3.540 12.180 ( 1.815 -0.348 -1.965) 2.698 12.639 ( -5.193 4.629 2.745) 7.478 12.780 ( 2.954 1.558 -0.914) 3.463 12.872 ( 1.655 -1.853 -0.419) 2.520 12.953 ( 0.270 -9.234 -0.211) 9.241 13.387 ( -2.907 5.357 0.759) 6.142 13.558 ( 2.447 -2.436 -1.556) 3.787 13.765 ( 0.328 -3.862 0.260) 3.884 13.846 ( 2.985 -3.018 0.313) 4.257 13.992 ( -4.714 -1.920 -0.440) 5.109 14.070 ( -3.108 -6.108 0.201) 6.856 17.511 ( -1.685 -1.287 -0.192) 2.130 17.587 ( -2.377 -1.601 0.193) 2.872 18.021 ( 3.883 2.030 -0.244) 4.389 18.124 ( 3.098 -0.055 0.040) 3.099 19.525 ( -0.822 -2.000 -0.461) 2.211 19.548 ( 0.036 -2.351 0.600) 2.427 19.628 ( 0.185 -0.898 0.009) 0.917 19.693 ( -0.768 -2.548 -0.673) 2.745 19.840 ( 0.732 -1.060 1.450) 1.940 19.860 ( 0.155 -0.502 -1.039) 1.164 19.976 ( -1.134 -0.890 0.033) 1.442 20.029 ( -0.415 1.358 0.076) 1.422 20.210 ( -0.873 0.016 0.757) 1.156 20.307 ( 1.559 -0.635 -1.049) 1.984 20.981 ( -2.376 0.053 2.147) 3.202 21.097 ( 0.417 -0.715 -1.757) 1.942 21.356 ( 1.280 -0.396 -0.583) 1.461 21.403 ( 0.499 -1.005 0.628) 1.286 27.459 ( 0.431 0.248 -0.308) 0.585 27.475 ( 0.881 0.085 0.268) 0.925 27.554 ( 0.256 0.287 0.074) 0.392 27.586 ( -0.016 -0.257 -0.041) 0.261 28.540 ( -0.139 0.759 -0.139) 0.784 28.557 ( -0.087 0.557 0.089) 0.571 35.155 ( 6.762 6.601 -0.026) 9.450 35.188 ( 6.497 5.487 0.193) 8.506 36.037 ( -8.879 8.656 1.680) 12.514 36.127 ( -13.675 3.419 -2.093) 14.251 38.374 ( -2.653 1.313 1.507) 3.322 38.452 ( -11.365 0.878 -3.978) 12.073 38.735 ( -15.771 2.377 -1.260) 15.998 38.898 ( -3.225 9.568 2.828) 10.485 40.039 ( 0.638 7.409 -1.923) 7.682 40.361 ( 3.618 6.425 4.815) 8.807 40.938 ( 14.892 -10.099 -0.991) 18.021 41.189 ( 9.466 -17.828 -0.527) 20.192 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -1.694 -5.206 -2.935) 6.212 1.615 ( -0.200 -1.976 0.458) 2.038 1.646 ( 3.318 -1.041 -2.785) 4.455 1.719 ( -2.978 2.138 1.873) 4.116 1.827 ( -1.698 4.777 -0.253) 5.076 2.050 ( 1.827 6.354 3.100) 7.302 2.124 ( -5.514 3.563 -2.840) 7.153 2.321 ( 0.538 -0.519 -4.551) 4.612 2.447 ( -8.158 -4.804 5.854) 11.131 2.592 ( -1.303 -1.672 -0.195) 2.129 2.692 ( 1.585 -1.673 2.251) 3.222 2.843 ( -2.967 1.087 -0.720) 3.241 2.883 ( -0.673 6.514 4.304) 7.836 3.015 ( 1.966 -1.861 2.422) 3.632 3.038 ( 0.469 -0.001 -0.255) 0.534 3.190 ( 3.546 9.308 -0.184) 9.963 3.237 ( 6.491 2.324 -0.166) 6.896 3.449 ( -1.313 6.620 -3.235) 7.485 3.553 ( -3.059 3.009 -2.169) 4.808 3.594 ( -10.663 1.097 -4.024) 11.449 3.768 ( 1.383 4.799 0.494) 5.018 3.848 ( -2.302 1.963 2.099) 3.682 4.026 ( -2.813 -1.988 -1.340) 3.696 4.106 ( -0.609 -4.623 -0.003) 4.663 4.210 ( 1.636 2.651 3.868) 4.966 4.259 ( -2.798 1.124 -3.301) 4.471 4.383 ( 2.082 3.552 -3.164) 5.193 4.413 ( -1.242 4.787 2.488) 5.536 4.570 ( 3.668 -5.670 4.210) 7.958 4.700 ( 3.168 -3.937 1.930) 5.409 4.861 ( -6.047 -8.679 -4.055) 11.329 5.055 ( 4.354 -0.902 -3.542) 5.685 5.235 ( 0.978 -2.032 5.236) 5.701 5.257 ( 0.602 -0.562 -0.868) 1.197 5.531 ( -2.758 0.105 -0.922) 2.910 5.677 ( 1.823 0.779 -0.361) 2.015 5.944 ( -2.196 -1.495 0.453) 2.695 6.013 ( 1.699 -5.203 2.006) 5.829 6.120 ( 3.608 3.180 -2.490) 5.416 6.468 ( -0.571 2.879 1.689) 3.386 6.571 ( -1.394 2.388 -1.155) 2.996 6.925 ( 0.537 14.456 -0.987) 14.499 7.024 ( 4.907 3.203 1.040) 5.951 7.126 ( -1.167 4.365 -0.451) 4.540 8.120 ( -0.933 -1.635 -0.055) 1.883 8.239 ( -1.944 -0.578 0.731) 2.156 9.074 ( 3.167 5.955 -0.666) 6.777 9.317 ( 2.380 5.912 0.234) 6.378 10.009 ( 0.727 0.887 0.429) 1.225 10.107 ( 1.300 -1.976 1.894) 3.030 10.162 ( -1.648 -0.308 -2.093) 2.682 10.240 ( -0.161 -2.664 -0.202) 2.676 11.458 ( -0.337 1.398 -0.620) 1.566 11.832 ( 1.253 1.315 1.226) 2.191 11.988 ( -1.535 0.354 -0.076) 1.578 12.210 ( 0.964 -0.464 -1.018) 1.477 12.562 ( -2.173 5.078 1.360) 5.688 12.823 ( 1.390 -1.714 -0.279) 2.225 12.889 ( -0.283 -7.462 0.430) 7.479 12.975 ( 1.360 -2.390 -0.773) 2.857 13.336 ( -1.646 6.176 0.617) 6.421 13.596 ( 1.162 -5.265 -0.943) 5.474 13.773 ( 0.363 -0.126 0.028) 0.386 13.883 ( -0.707 -1.725 0.144) 1.870 13.931 ( 0.422 -4.867 0.031) 4.885 14.011 ( -2.353 -6.348 0.020) 6.770 17.488 ( -0.567 -1.623 -0.062) 1.721 17.552 ( -0.890 -1.389 0.051) 1.651 18.082 ( 1.752 1.374 -0.076) 2.228 18.165 ( 0.930 0.945 0.013) 1.326 19.513 ( -0.297 -2.264 -0.225) 2.294 19.553 ( 0.239 -2.415 0.392) 2.458 19.626 ( -0.169 -1.218 -0.185) 1.243 19.679 ( -0.359 -2.001 -0.224) 2.045 19.854 ( 0.304 -0.411 0.436) 0.672 19.859 ( -0.015 -1.001 -0.208) 1.022 19.963 ( -0.204 -1.402 0.064) 1.418 20.021 ( -0.285 1.437 -0.038) 1.465 20.196 ( -0.413 0.065 0.331) 0.533 20.332 ( 0.724 -0.718 -0.553) 1.160 20.946 ( -1.033 0.078 0.962) 1.414 21.101 ( 0.146 -0.377 -0.750) 0.852 21.375 ( 0.537 -0.516 -0.210) 0.774 21.411 ( 0.167 -1.351 0.260) 1.386 27.465 ( 0.180 0.303 -0.180) 0.395 27.488 ( 0.324 0.301 0.166) 0.473 27.562 ( 0.385 -0.093 0.055) 0.400 27.583 ( -0.222 -0.137 -0.042) 0.264 28.538 ( -0.060 0.724 -0.080) 0.731 28.556 ( -0.014 0.655 0.062) 0.658 35.291 ( 4.835 6.304 -0.718) 7.977 35.327 ( 5.705 5.632 0.995) 8.078 35.853 ( -8.063 6.067 -0.774) 10.120 35.887 ( -6.656 7.677 0.401) 10.168 38.276 ( -4.162 3.227 -1.430) 5.457 38.366 ( 1.171 2.665 2.481) 3.824 38.482 ( -8.105 -0.587 -2.201) 8.419 38.852 ( -1.268 10.147 0.837) 10.260 40.047 ( 0.260 7.697 -0.844) 7.747 40.425 ( 1.684 8.477 1.837) 8.836 41.179 ( 7.699 -13.387 -0.331) 15.447 41.294 ( 0.970 -17.507 -0.173) 17.535 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 -0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 -0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 -0.000 0.000) 0.000 2.426 ( 0.000 -0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 -0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 -0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 -0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 12.889 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.683 ( 0.000 0.000 0.000) 0.000 13.741 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 17.660 ( 0.000 0.000 0.000) 0.000 17.913 ( 0.000 0.000 0.000) 0.000 17.998 ( 0.000 0.000 0.000) 0.000 19.533 ( 0.000 0.000 0.000) 0.000 19.543 ( 0.000 0.000 0.000) 0.000 19.602 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 19.806 ( 0.000 0.000 0.000) 0.000 19.849 ( 0.000 0.000 0.000) 0.000 20.019 ( 0.000 0.000 0.000) 0.000 20.053 ( 0.000 0.000 0.000) 0.000 20.233 ( 0.000 0.000 0.000) 0.000 20.258 ( 0.000 0.000 0.000) 0.000 21.049 ( 0.000 0.000 0.000) 0.000 21.071 ( 0.000 0.000 0.000) 0.000 21.311 ( 0.000 0.000 0.000) 0.000 21.386 ( 0.000 0.000 0.000) 0.000 27.445 ( 0.000 0.000 0.000) 0.000 27.450 ( 0.000 0.000 0.000) 0.000 27.555 ( 0.000 0.000 0.000) 0.000 27.582 ( 0.000 0.000 0.000) 0.000 28.553 ( 0.000 0.000 0.000) 0.000 28.563 ( 0.000 -0.000 0.000) 0.000 35.074 ( 0.000 0.000 0.000) 0.000 35.102 ( 0.000 0.000 0.000) 0.000 36.339 ( 0.000 0.000 0.000) 0.000 36.466 ( 0.000 0.000 0.000) 0.000 38.522 ( 0.000 -0.000 0.000) 0.000 38.806 ( 0.000 0.000 0.000) 0.000 39.066 ( 0.000 0.000 0.000) 0.000 39.328 ( 0.000 0.000 0.000) 0.000 40.136 ( 0.000 0.000 0.000) 0.000 40.230 ( 0.000 -0.000 0.000) 0.000 40.504 ( 0.000 -0.000 0.000) 0.000 40.520 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 37 (22/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.158 0.000 -1.404) 1.413 1.605 ( 0.035 -0.000 0.180) 0.183 1.746 ( 2.359 0.000 2.228) 3.245 1.883 ( -6.403 -0.000 -5.351) 8.345 1.908 ( -3.531 0.000 -3.299) 4.832 2.105 ( -0.299 0.000 1.677) 1.703 2.397 ( 6.475 0.000 4.807) 8.064 2.401 ( -2.413 -0.000 1.814) 3.019 2.504 ( 8.011 -0.000 -3.026) 8.564 2.732 ( -6.850 0.000 -1.201) 6.955 2.807 ( 3.173 -0.000 6.356) 7.104 2.924 ( -16.535 0.000 0.462) 16.541 3.014 ( -3.007 -0.000 4.397) 5.327 3.144 ( -8.024 0.000 -0.003) 8.024 3.152 ( -2.522 -0.000 0.722) 2.623 3.184 ( -9.164 0.000 -2.498) 9.499 3.463 ( 1.734 -0.000 -5.903) 6.153 3.482 ( -5.447 0.000 -7.835) 9.542 3.656 ( 4.927 0.000 7.613) 9.069 3.811 ( -3.044 -0.000 -3.103) 4.347 3.893 ( -5.021 0.000 -0.039) 5.021 3.958 ( -1.570 0.000 -0.485) 1.643 4.051 ( 1.333 0.000 4.047) 4.260 4.151 ( 2.342 0.000 -0.460) 2.387 4.254 ( 0.869 0.000 -4.650) 4.731 4.293 ( -1.756 -0.000 5.301) 5.584 4.354 ( -3.212 0.000 7.107) 7.799 4.438 ( -1.679 0.000 -5.820) 6.057 4.519 ( -2.529 -0.000 -3.729) 4.506 4.646 ( 1.676 0.000 -0.372) 1.717 4.845 ( 4.460 -0.000 3.345) 5.575 4.958 ( -2.173 0.000 -4.337) 4.851 5.068 ( 4.103 0.000 -3.551) 5.426 5.099 ( 6.769 -0.000 5.598) 8.784 5.547 ( 3.101 0.000 1.903) 3.638 5.741 ( 6.969 0.000 4.713) 8.413 5.791 ( -5.890 -0.000 -1.948) 6.204 5.872 ( -1.302 -0.000 -3.957) 4.166 6.231 ( -8.217 0.000 -1.087) 8.289 6.563 ( -2.289 0.000 2.339) 3.273 6.665 ( 2.538 0.000 -1.275) 2.840 6.843 ( 8.661 0.000 -2.359) 8.976 6.898 ( 3.111 0.000 2.650) 4.086 7.011 ( 4.721 -0.000 -0.567) 4.755 8.307 ( -0.739 -0.000 3.268) 3.350 8.364 ( -11.285 0.000 -2.777) 11.621 8.922 ( 4.308 0.000 -3.052) 5.279 9.002 ( 13.179 0.000 2.700) 13.453 9.935 ( 1.446 0.000 0.909) 1.708 10.069 ( 0.018 0.000 0.678) 0.679 10.183 ( -0.325 0.000 -0.962) 1.016 10.262 ( -0.879 0.000 -0.525) 1.024 11.502 ( -0.719 0.000 -0.988) 1.222 11.729 ( 2.663 0.000 2.144) 3.419 12.132 ( -3.666 -0.000 0.415) 3.689 12.149 ( 1.255 0.000 -1.390) 1.873 12.782 ( 0.180 -0.000 1.266) 1.279 12.792 ( 4.533 0.000 -2.563) 5.208 12.804 ( -1.228 0.000 3.233) 3.458 12.834 ( -4.646 0.000 -1.619) 4.920 13.479 ( 0.134 -0.000 -2.840) 2.843 13.532 ( -0.412 0.000 3.202) 3.229 13.688 ( 0.711 0.000 -0.986) 1.215 13.764 ( 2.104 0.000 0.363) 2.135 14.024 ( -1.770 0.000 0.121) 1.774 14.100 ( -3.915 0.000 -0.155) 3.918 17.544 ( -2.281 0.000 -0.244) 2.294 17.625 ( -2.734 0.000 0.316) 2.753 17.961 ( 3.880 0.000 -0.318) 3.893 18.041 ( 3.652 0.000 0.073) 3.653 19.525 ( -0.762 0.000 -0.400) 0.861 19.532 ( -0.679 0.000 0.289) 0.738 19.613 ( 0.690 0.000 0.162) 0.709 19.672 ( -0.295 -0.000 -0.370) 0.473 19.811 ( 0.475 0.000 1.084) 1.183 19.853 ( 0.361 0.000 -0.949) 1.015 20.000 ( -1.598 0.000 -0.145) 1.605 20.051 ( -0.231 0.000 0.223) 0.321 20.226 ( -0.660 -0.000 0.641) 0.920 20.271 ( 1.231 0.000 -0.571) 1.356 21.028 ( -2.012 0.000 1.888) 2.759 21.077 ( 0.633 0.000 -1.577) 1.699 21.325 ( 1.222 0.000 -0.660) 1.389 21.388 ( 0.144 0.000 0.551) 0.569 27.454 ( 0.376 -0.000 -0.344) 0.509 27.455 ( 0.817 0.000 0.305) 0.872 27.556 ( 0.066 -0.000 0.041) 0.078 27.582 ( 0.010 -0.000 -0.028) 0.029 28.552 ( -0.145 0.000 -0.211) 0.256 28.562 ( -0.041 -0.000 0.164) 0.169 35.115 ( 3.854 0.000 0.828) 3.942 35.137 ( 3.424 0.000 -0.790) 3.514 36.282 ( -5.447 0.000 0.939) 5.527 36.380 ( -8.084 0.000 -0.635) 8.109 38.470 ( -4.316 -0.000 -0.427) 4.337 38.678 ( -10.138 0.000 -4.373) 11.041 39.047 ( -2.149 0.000 3.457) 4.071 39.125 ( -16.652 0.000 -0.292) 16.654 40.128 ( -0.219 0.000 -1.717) 1.731 40.289 ( 5.443 -0.000 6.065) 8.149 40.651 ( 11.770 0.000 2.765) 12.090 40.683 ( 12.624 -0.000 -5.752) 13.873 ======================= Grid point 39 (23/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -4.903 0.000 -4.200) 6.456 1.602 ( 0.146 0.000 -0.612) 0.629 1.657 ( -6.061 0.000 -0.067) 6.061 1.833 ( -3.797 0.000 -3.076) 4.887 1.878 ( 2.282 -0.000 -0.746) 2.401 2.115 ( 1.154 0.000 3.820) 3.991 2.341 ( -2.824 -0.000 -0.940) 2.976 2.425 ( -10.613 0.000 0.020) 10.613 2.566 ( -13.560 -0.000 1.217) 13.615 2.604 ( -1.514 0.000 3.850) 4.137 2.710 ( 8.040 0.000 -5.370) 9.668 2.825 ( -9.852 -0.000 -0.815) 9.885 2.889 ( 2.557 -0.000 9.545) 9.881 3.022 ( 0.897 0.000 7.810) 7.861 3.077 ( -4.810 0.000 1.300) 4.982 3.156 ( 0.957 -0.000 -2.687) 2.853 3.391 ( -1.761 -0.000 -6.827) 7.050 3.408 ( -2.626 0.000 -5.596) 6.181 3.725 ( -5.459 -0.000 -5.250) 7.574 3.750 ( 1.816 0.000 4.544) 4.893 3.777 ( -4.000 0.000 -0.911) 4.103 3.902 ( -2.924 0.000 0.518) 2.969 4.043 ( -2.104 0.000 1.637) 2.666 4.159 ( -6.628 -0.000 -3.315) 7.411 4.227 ( 1.934 0.000 0.817) 2.100 4.285 ( 0.951 0.000 6.231) 6.303 4.367 ( 3.551 0.000 3.794) 5.196 4.432 ( -3.605 0.000 -1.097) 3.768 4.492 ( 3.707 -0.000 -5.800) 6.883 4.665 ( -0.961 0.000 2.062) 2.275 4.861 ( -2.891 0.000 3.054) 4.205 4.942 ( 3.069 0.000 -7.292) 7.911 5.180 ( 5.493 0.000 -4.479) 7.087 5.201 ( 1.960 -0.000 9.231) 9.437 5.631 ( 4.179 0.000 0.612) 4.223 5.635 ( -7.146 -0.000 -3.701) 8.048 5.882 ( 2.222 -0.000 -2.701) 3.497 5.943 ( 10.780 0.000 6.952) 12.828 6.065 ( -6.832 0.000 -3.410) 7.636 6.524 ( -1.765 0.000 1.620) 2.396 6.663 ( -2.304 0.000 -2.610) 3.481 6.969 ( 4.382 0.000 3.263) 5.463 7.021 ( 6.496 0.000 -2.060) 6.814 7.117 ( 4.584 -0.000 -0.238) 4.590 8.176 ( -6.300 -0.000 -1.461) 6.467 8.276 ( -2.427 0.000 2.489) 3.476 9.036 ( 6.323 0.000 -2.393) 6.761 9.244 ( 9.465 0.000 1.531) 9.588 9.978 ( 2.458 0.000 1.378) 2.818 10.072 ( 0.167 0.000 0.957) 0.972 10.174 ( -0.380 0.000 -1.314) 1.367 10.235 ( -1.607 -0.000 -0.971) 1.877 11.484 ( -0.724 0.000 -1.206) 1.406 11.795 ( 3.037 0.000 2.618) 4.010 12.050 ( -3.836 0.000 0.102) 3.838 12.178 ( 1.542 0.000 -1.773) 2.350 12.726 ( -4.989 0.000 -1.456) 5.197 12.779 ( -1.273 0.000 3.273) 3.512 12.790 ( 0.104 -0.000 2.280) 2.282 12.895 ( 5.139 0.000 -3.045) 5.973 13.473 ( -0.327 -0.000 -3.126) 3.143 13.515 ( -1.615 0.000 3.618) 3.962 13.716 ( 2.187 0.000 -1.872) 2.879 13.817 ( 2.646 0.000 0.638) 2.722 13.980 ( -2.328 0.000 0.037) 2.328 13.997 ( -5.649 -0.000 0.168) 5.652 17.498 ( -1.899 0.000 -0.199) 1.910 17.571 ( -2.268 0.000 0.204) 2.277 18.042 ( 3.608 0.000 -0.199) 3.614 18.121 ( 3.566 0.000 0.024) 3.566 19.505 ( -0.916 0.000 -0.514) 1.051 19.525 ( -0.041 0.000 0.678) 0.679 19.621 ( 0.011 0.000 -0.269) 0.269 19.664 ( -0.444 -0.000 -0.440) 0.625 19.827 ( 0.896 0.000 1.524) 1.768 19.857 ( 0.122 -0.000 -1.166) 1.172 19.966 ( -1.402 0.000 0.009) 1.402 20.044 ( -0.420 0.000 0.106) 0.433 20.210 ( -0.861 0.000 0.730) 1.128 20.300 ( 1.492 0.000 -0.884) 1.734 20.982 ( -2.332 0.000 2.236) 3.231 21.089 ( 0.660 0.000 -1.906) 2.017 21.351 ( 1.229 0.000 -0.583) 1.361 21.393 ( 0.196 0.000 0.654) 0.682 27.463 ( 0.439 -0.000 -0.444) 0.624 27.476 ( 1.035 0.000 0.401) 1.110 27.557 ( 0.104 -0.000 0.073) 0.127 27.582 ( -0.031 0.000 -0.058) 0.066 28.548 ( -0.167 0.000 -0.266) 0.314 28.562 ( -0.008 -0.000 0.218) 0.218 35.231 ( 7.057 0.000 1.320) 7.180 35.236 ( 6.056 -0.000 -1.187) 6.171 36.131 ( -8.743 0.000 1.375) 8.850 36.156 ( -12.610 -0.000 -1.338) 12.680 38.382 ( -3.423 -0.000 0.777) 3.510 38.462 ( -9.112 0.000 -2.707) 9.505 38.762 ( -16.468 -0.000 -1.874) 16.575 38.996 ( -2.729 0.000 2.388) 3.626 40.129 ( 0.449 0.000 -1.911) 1.963 40.432 ( 6.634 -0.000 5.994) 8.941 40.903 ( 10.898 0.000 2.660) 11.218 40.920 ( 9.839 -0.000 -5.431) 11.239 ======================= Grid point 41 (24/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -4.038 0.000 -2.152) 4.575 1.594 ( -1.005 0.000 0.361) 1.068 1.632 ( 3.109 -0.000 -2.596) 4.051 1.734 ( -5.120 0.000 1.154) 5.248 1.882 ( -1.285 0.000 -0.133) 1.292 2.145 ( 0.493 -0.000 2.621) 2.667 2.191 ( -6.941 0.000 -1.271) 7.056 2.304 ( -0.335 0.000 -3.782) 3.797 2.344 ( -5.841 -0.000 2.578) 6.384 2.562 ( -2.286 0.000 1.586) 2.782 2.689 ( -3.385 0.000 0.005) 3.385 2.859 ( 3.046 -0.000 -3.902) 4.950 2.902 ( 0.745 0.000 2.746) 2.845 2.993 ( -2.885 0.000 3.107) 4.240 3.078 ( 0.961 0.000 2.933) 3.086 3.247 ( 5.573 -0.000 4.566) 7.204 3.396 ( 3.254 0.000 -7.381) 8.066 3.428 ( 4.275 -0.000 1.037) 4.399 3.585 ( -6.567 -0.000 -5.288) 8.431 3.650 ( -5.607 0.000 0.077) 5.607 3.815 ( 1.370 -0.000 1.331) 1.910 3.855 ( -1.444 0.000 0.653) 1.585 3.996 ( -1.588 0.000 -0.495) 1.663 4.031 ( -4.255 -0.000 -0.915) 4.353 4.251 ( 1.213 0.000 4.681) 4.835 4.292 ( -1.477 0.000 1.640) 2.207 4.334 ( -1.614 0.000 -5.739) 5.962 4.546 ( 8.120 0.005 5.659) 9.897 4.546 ( 2.319 -0.005 -3.640) 4.316 4.614 ( -2.986 0.000 2.906) 4.166 4.754 ( -6.689 0.000 -1.376) 6.829 5.041 ( 4.839 0.000 -5.499) 7.325 5.213 ( -1.159 0.000 6.635) 6.736 5.250 ( 1.671 -0.000 -1.771) 2.435 5.529 ( -2.534 0.000 -1.561) 2.976 5.701 ( 2.276 0.000 -0.154) 2.281 5.930 ( 1.811 -0.000 -0.962) 2.051 5.934 ( -3.902 0.000 0.697) 3.964 6.168 ( 7.439 0.000 1.203) 7.535 6.497 ( -0.858 0.000 0.650) 1.077 6.587 ( -3.627 0.000 -1.832) 4.063 7.053 ( 2.744 0.000 2.957) 4.034 7.099 ( 1.435 0.000 -2.393) 2.790 7.179 ( 1.429 -0.000 -0.042) 1.430 8.098 ( -1.587 0.000 -0.339) 1.623 8.233 ( -1.347 0.000 0.698) 1.517 9.137 ( 2.883 0.000 -0.709) 2.969 9.379 ( 3.330 0.000 0.431) 3.358 10.027 ( 1.632 0.000 0.865) 1.847 10.076 ( 0.131 -0.000 0.499) 0.516 10.166 ( -0.159 0.000 -0.666) 0.684 10.202 ( -1.132 -0.000 -0.704) 1.333 11.473 ( -0.270 0.000 -0.530) 0.595 11.844 ( 1.272 0.000 1.151) 1.715 11.991 ( -1.562 0.000 -0.040) 1.563 12.201 ( 0.681 0.000 -0.802) 1.053 12.648 ( -2.071 0.000 -0.516) 2.134 12.762 ( -0.545 0.000 1.518) 1.613 12.794 ( 0.047 0.000 0.949) 0.950 12.974 ( 2.316 0.000 -1.436) 2.725 13.463 ( -0.278 -0.000 -1.270) 1.300 13.486 ( -1.074 0.000 1.657) 1.974 13.771 ( 3.108 0.000 -1.670) 3.528 13.864 ( 1.654 0.000 0.401) 1.702 13.887 ( -4.490 0.000 0.821) 4.565 13.937 ( -1.555 -0.000 -0.113) 1.559 17.471 ( -0.656 0.000 -0.063) 0.659 17.538 ( -0.824 0.000 0.056) 0.825 18.096 ( 1.390 0.000 -0.051) 1.391 18.174 ( 1.379 0.000 -0.002) 1.379 19.491 ( -0.388 0.000 -0.237) 0.455 19.529 ( 0.244 0.000 0.466) 0.526 19.616 ( -0.280 0.000 -0.345) 0.444 19.656 ( -0.200 0.000 -0.164) 0.258 19.844 ( 0.477 0.000 0.725) 0.868 19.855 ( -0.114 -0.000 -0.487) 0.501 19.948 ( -0.390 0.000 0.048) 0.393 20.036 ( -0.238 0.000 -0.019) 0.239 20.197 ( -0.395 0.000 0.301) 0.497 20.324 ( 0.695 0.000 -0.461) 0.834 20.947 ( -1.026 0.000 0.996) 1.430 21.097 ( 0.252 0.000 -0.826) 0.864 21.369 ( 0.482 0.000 -0.206) 0.524 21.396 ( 0.091 0.000 0.276) 0.291 27.469 ( 0.181 0.000 -0.203) 0.272 27.493 ( 0.475 0.000 0.191) 0.512 27.559 ( 0.058 0.000 0.040) 0.071 27.581 ( -0.038 0.000 -0.040) 0.055 28.545 ( -0.069 0.000 -0.119) 0.138 28.562 ( 0.012 0.000 0.102) 0.102 35.356 ( 4.340 0.000 -0.741) 4.403 35.383 ( 6.077 -0.000 0.987) 6.157 35.914 ( -8.612 0.000 -1.064) 8.678 35.968 ( -5.597 0.000 0.828) 5.658 38.328 ( -3.343 0.000 -0.757) 3.427 38.357 ( 1.138 -0.000 2.095) 2.384 38.492 ( -8.744 -0.000 -2.607) 9.124 38.955 ( -1.153 0.000 0.809) 1.409 40.136 ( 0.277 0.000 -0.812) 0.858 40.540 ( 2.769 0.000 2.478) 3.715 41.053 ( 3.389 0.000 -2.216) 4.049 41.066 ( 4.113 -0.000 1.024) 4.238 ======================= Grid point 77 (25/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -14.615 0.000 18.095) 23.260 0.420 ( 5.941 0.000 21.448) 22.256 0.904 ( 21.287 0.000 39.089) 44.510 1.121 ( 1.972 0.000 -16.315) 16.434 1.386 ( -4.288 0.000 -19.822) 20.280 1.398 ( 5.704 0.000 6.491) 8.641 1.670 ( -33.839 0.000 -4.437) 34.128 1.844 ( 0.364 0.000 -6.212) 6.222 2.014 ( 8.712 0.000 5.673) 10.396 2.181 ( 3.571 0.000 7.082) 7.931 2.285 ( 2.510 0.000 16.998) 17.182 2.551 ( 0.444 0.000 2.863) 2.897 2.789 ( -3.209 0.000 -1.993) 3.777 2.807 ( -0.942 0.000 1.466) 1.743 2.928 ( -1.492 0.000 3.906) 4.181 3.047 ( -8.724 0.000 -7.622) 11.584 3.091 ( -3.312 0.000 -8.492) 9.115 3.269 ( 6.955 0.000 -3.490) 7.782 3.426 ( -11.326 0.000 2.418) 11.581 3.516 ( -2.908 0.000 -3.655) 4.671 3.581 ( -3.858 0.000 0.090) 3.859 3.775 ( 1.662 0.000 -7.754) 7.930 4.052 ( 3.471 0.000 -1.126) 3.649 4.102 ( -6.778 0.000 -1.033) 6.856 4.133 ( -2.210 0.000 -5.260) 5.705 4.149 ( 0.141 0.000 -1.502) 1.508 4.426 ( 1.309 0.000 0.952) 1.619 4.499 ( 7.418 0.000 2.419) 7.802 4.554 ( -5.225 0.000 -0.640) 5.264 4.609 ( 9.424 0.000 -7.768) 12.213 4.900 ( 9.077 0.000 12.336) 15.315 4.920 ( 5.154 0.000 5.586) 7.600 5.145 ( -5.718 0.000 3.416) 6.661 5.304 ( -1.940 0.000 -7.798) 8.036 5.731 ( 1.292 0.000 3.667) 3.888 5.791 ( -20.503 0.000 1.751) 20.577 5.885 ( -2.413 0.000 -2.191) 3.259 5.912 ( 2.524 0.000 -1.659) 3.021 6.424 ( 1.703 0.000 4.225) 4.555 6.618 ( 0.148 0.000 -4.474) 4.476 6.726 ( -6.871 0.000 0.104) 6.872 6.740 ( 2.239 0.000 -2.722) 3.524 6.965 ( 3.544 0.000 5.713) 6.723 7.146 ( -2.770 0.000 -2.794) 3.934 7.883 ( 0.386 0.000 3.755) 3.775 8.077 ( -0.523 0.000 -3.842) 3.878 9.040 ( -4.972 0.000 0.902) 5.054 9.082 ( 28.153 0.000 -0.723) 28.162 10.085 ( -5.096 0.000 1.536) 5.323 10.125 ( -0.158 0.000 0.016) 0.159 10.272 ( -0.802 0.000 -0.335) 0.869 10.296 ( 0.658 0.000 -1.375) 1.524 11.761 ( -3.905 0.000 2.994) 4.921 11.783 ( 2.618 0.000 0.995) 2.801 11.900 ( -3.043 0.000 -0.877) 3.167 12.035 ( 38.510 0.000 -5.483) 38.899 12.467 ( 6.041 0.000 2.243) 6.444 12.513 ( -0.286 0.000 0.110) 0.306 12.928 ( -5.324 0.000 0.125) 5.326 12.941 ( -0.547 0.000 -0.546) 0.773 13.437 ( 5.359 0.000 2.772) 6.033 13.615 ( -23.942 0.000 -5.053) 24.469 14.059 ( 2.021 0.000 4.113) 4.583 14.155 ( -0.884 0.000 -0.878) 1.246 14.270 ( -3.326 0.000 2.966) 4.456 14.435 ( 0.388 0.000 -3.091) 3.115 17.631 ( 0.714 0.000 2.203) 2.316 17.761 ( -1.202 0.000 -3.293) 3.505 17.903 ( 0.786 0.000 1.324) 1.539 17.938 ( -0.333 0.000 -0.440) 0.552 19.665 ( -0.038 0.000 0.592) 0.593 19.703 ( 1.629 0.000 -0.944) 1.883 19.829 ( 0.791 0.000 0.525) 0.950 19.839 ( -2.037 0.000 0.152) 2.042 19.853 ( 0.727 0.000 -0.172) 0.747 19.855 ( 1.649 0.000 -0.181) 1.659 20.098 ( 0.336 0.000 0.105) 0.352 20.101 ( -0.362 0.000 -0.010) 0.362 20.377 ( 2.502 0.000 0.256) 2.515 20.389 ( -17.098 0.000 -0.218) 17.099 21.146 ( 1.874 0.000 0.711) 2.004 21.184 ( -14.398 0.000 -0.818) 14.421 21.304 ( -0.791 0.000 0.710) 1.062 21.335 ( 0.277 0.000 -0.550) 0.616 27.442 ( -0.921 0.000 -0.005) 0.921 27.447 ( 3.244 0.000 -0.179) 3.249 27.505 ( 0.586 0.000 0.422) 0.722 27.521 ( -0.646 0.000 -0.245) 0.691 28.472 ( 0.419 0.000 0.124) 0.437 28.478 ( -0.413 0.000 -0.133) 0.434 34.431 ( -0.051 0.000 0.057) 0.077 34.434 ( 0.030 0.000 -0.046) 0.055 35.478 ( 3.788 0.000 1.128) 3.952 35.540 ( -19.116 0.000 -1.330) 19.162 37.529 ( 0.120 0.000 3.288) 3.290 37.693 ( -0.105 0.000 -3.184) 3.186 39.266 ( -3.951 0.000 5.441) 6.724 39.580 ( 28.516 0.000 -7.397) 29.460 40.113 ( 7.317 0.000 1.509) 7.471 40.134 ( -4.340 0.000 0.264) 4.348 41.333 ( 99.429 0.000 1.589) 99.441 41.406 ( -13.921 0.000 -1.321) 13.984 ======================= Grid point 78 (26/90) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 20.766 0.000 4.770) 21.307 0.732 ( 16.313 0.000 16.077) 22.904 1.115 ( -0.259 0.000 -6.957) 6.962 1.218 ( -1.331 0.000 -16.342) 16.396 1.414 ( 18.093 0.000 20.008) 26.975 1.606 ( 11.480 0.000 7.013) 13.452 1.639 ( 15.785 0.000 -14.268) 21.278 1.866 ( 2.377 0.000 -3.648) 4.354 2.140 ( -6.979 0.000 -7.919) 10.555 2.238 ( 13.163 0.000 9.615) 16.301 2.422 ( 8.552 0.000 19.403) 21.204 2.595 ( 0.773 0.000 10.115) 10.144 2.678 ( -7.253 0.000 -8.181) 10.933 2.734 ( -4.700 0.000 10.463) 11.470 2.819 ( -4.886 0.000 -16.043) 16.771 2.965 ( -1.133 0.000 -2.298) 2.562 3.067 ( -1.375 0.000 -6.492) 6.637 3.269 ( -1.474 0.000 6.549) 6.712 3.400 ( 3.055 0.000 -5.234) 6.061 3.495 ( 2.284 0.000 1.927) 2.989 3.505 ( -1.040 0.000 3.133) 3.301 3.782 ( -0.648 0.000 -3.225) 3.289 3.987 ( -2.847 0.000 -2.479) 3.775 4.110 ( 2.015 0.000 -1.996) 2.836 4.119 ( -0.652 0.000 -2.776) 2.851 4.170 ( 1.328 0.000 2.478) 2.811 4.395 ( -2.253 0.000 -4.023) 4.611 4.527 ( 2.383 0.000 -1.513) 2.823 4.606 ( 3.346 0.000 -1.742) 3.772 4.698 ( 0.663 0.000 -5.000) 5.043 4.955 ( -7.498 0.000 2.471) 7.895 5.039 ( 1.715 0.000 1.418) 2.225 5.118 ( 4.586 0.000 1.551) 4.841 5.354 ( 7.435 0.000 -0.427) 7.447 5.432 ( -11.057 0.000 9.265) 14.425 5.736 ( -1.290 0.000 3.643) 3.865 5.929 ( 3.398 0.000 -0.319) 3.413 5.956 ( 2.197 0.000 -0.259) 2.212 6.462 ( 0.615 0.000 3.742) 3.793 6.555 ( -5.582 0.000 -3.954) 6.840 6.605 ( -4.103 0.000 0.544) 4.139 6.794 ( 1.444 0.000 0.829) 1.665 7.039 ( 3.588 0.000 6.268) 7.222 7.074 ( -2.121 0.000 -5.684) 6.066 7.896 ( 1.573 0.000 5.588) 5.805 8.076 ( 0.787 0.000 -4.883) 4.947 8.879 ( -10.343 0.000 -5.453) 11.692 9.227 ( -6.254 0.000 1.962) 6.554 9.960 ( -2.321 0.000 6.252) 6.669 10.118 ( -0.576 0.000 -0.903) 1.071 10.263 ( -3.138 0.000 -0.307) 3.153 10.271 ( 0.471 0.000 -1.159) 1.251 11.594 ( -10.260 0.000 -2.761) 10.625 11.798 ( -0.869 0.000 1.478) 1.715 11.827 ( -3.730 0.000 -1.547) 4.038 11.969 ( -14.047 0.000 7.505) 15.927 12.439 ( -2.737 0.000 2.249) 3.542 12.499 ( 0.275 0.000 -2.588) 2.603 12.980 ( 2.911 0.000 2.934) 4.133 13.375 ( 2.433 0.000 0.349) 2.458 13.444 ( 16.364 0.000 -25.728) 30.491 13.571 ( 5.097 0.000 6.062) 7.920 14.146 ( 3.566 0.000 6.940) 7.802 14.175 ( 3.250 0.000 -0.967) 3.391 14.238 ( -0.005 0.000 -0.263) 0.264 14.444 ( 0.704 0.000 -2.524) 2.621 17.663 ( 2.112 0.000 2.754) 3.470 17.736 ( -0.832 0.000 -3.200) 3.307 17.906 ( -2.368 0.000 -0.893) 2.531 17.908 ( -0.177 0.000 1.112) 1.126 19.658 ( -0.519 0.000 0.522) 0.736 19.711 ( -0.161 0.000 -1.340) 1.349 19.800 ( -1.262 0.000 0.959) 1.585 19.826 ( 0.650 0.000 -1.039) 1.225 19.880 ( 1.715 0.000 0.485) 1.782 20.025 ( 3.991 0.000 -3.773) 5.492 20.111 ( 0.730 0.000 0.182) 0.752 20.135 ( 3.450 0.000 -0.761) 3.533 20.184 ( 0.482 0.000 0.451) 0.660 20.393 ( -1.162 0.000 3.030) 3.245 21.056 ( -1.093 0.000 2.303) 2.549 21.174 ( 0.405 0.000 2.025) 2.065 21.322 ( 1.327 0.000 1.000) 1.662 21.387 ( 4.061 0.000 0.709) 4.123 27.429 ( -0.203 0.000 -0.649) 0.680 27.480 ( -0.235 0.000 -0.103) 0.256 27.519 ( 0.565 0.000 0.765) 0.951 27.526 ( 1.273 0.000 -1.081) 1.670 28.471 ( -0.104 0.000 -0.312) 0.329 28.476 ( -0.140 0.000 0.516) 0.534 34.454 ( 2.269 0.000 0.263) 2.284 34.468 ( 3.256 0.000 -0.244) 3.265 35.219 ( -10.419 0.000 7.211) 12.671 35.517 ( -0.972 0.000 3.826) 3.947 37.533 ( -0.046 0.000 3.194) 3.195 37.671 ( -1.430 0.000 -3.247) 3.548 38.918 ( -30.793 0.000 -6.632) 31.499 39.330 ( -22.837 0.000 8.492) 24.365 39.742 ( -15.131 0.000 -2.325) 15.309 40.029 ( 0.146 0.000 -6.042) 6.044 41.642 ( 25.081 0.000 -7.357) 26.137 42.775 ( 15.145 0.000 -19.098) 24.375 ======================= Grid point 79 (27/90) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 15.475 0.000 2.872) 15.739 0.926 ( 1.726 0.000 -0.320) 1.755 1.226 ( 10.716 0.000 10.755) 15.183 1.282 ( 8.624 0.000 -10.938) 13.929 1.678 ( 7.552 0.000 -0.561) 7.573 1.817 ( 6.894 0.000 6.130) 9.225 1.918 ( -1.385 0.000 0.818) 1.608 1.922 ( 11.554 0.000 -11.745) 16.475 1.962 ( -2.092 0.000 -11.924) 12.106 2.430 ( -4.484 0.000 -14.065) 14.763 2.450 ( -16.047 0.000 -2.217) 16.199 2.619 ( 8.811 0.000 7.031) 11.273 2.637 ( -4.496 0.000 -5.701) 7.260 2.689 ( 14.491 0.000 18.660) 23.625 2.824 ( 7.894 0.000 15.422) 17.325 2.946 ( -5.824 0.000 -7.113) 9.193 3.066 ( 8.480 0.000 1.433) 8.601 3.296 ( -0.985 0.000 2.820) 2.987 3.371 ( -0.866 0.000 0.386) 0.948 3.573 ( 3.348 0.000 1.231) 3.568 3.607 ( 6.161 0.000 3.033) 6.868 3.778 ( 1.351 0.000 -0.271) 1.377 3.933 ( -3.958 0.000 -2.979) 4.954 4.087 ( -0.634 0.000 -4.456) 4.500 4.125 ( -0.425 0.000 -1.480) 1.539 4.203 ( 2.164 0.000 4.581) 5.066 4.380 ( 1.447 0.000 -3.697) 3.970 4.563 ( -8.900 0.000 -3.253) 9.476 4.595 ( 3.428 0.000 -2.257) 4.104 4.705 ( 0.671 0.000 -4.087) 4.142 4.856 ( 0.100 0.000 5.868) 5.869 5.019 ( -2.065 0.000 -5.010) 5.419 5.167 ( 0.385 0.000 5.111) 5.126 5.281 ( -5.392 0.000 4.584) 7.077 5.523 ( 6.723 0.000 2.230) 7.083 5.696 ( -2.400 0.000 1.511) 2.836 5.990 ( 2.312 0.000 -1.353) 2.679 6.020 ( 4.165 0.000 -0.184) 4.169 6.421 ( -6.046 0.000 -1.654) 6.268 6.449 ( -1.997 0.000 2.286) 3.036 6.532 ( -2.978 0.000 1.863) 3.513 6.777 ( -2.436 0.000 1.205) 2.718 7.068 ( 1.594 0.000 -6.198) 6.400 7.080 ( -1.833 0.000 3.538) 3.985 8.026 ( 10.873 0.000 9.489) 14.432 8.110 ( 3.628 0.000 -7.320) 8.170 8.608 ( -14.580 0.000 -9.536) 17.422 9.045 ( -10.502 0.000 5.890) 12.041 9.970 ( 1.362 0.000 2.792) 3.106 10.095 ( -1.257 0.000 -2.836) 3.102 10.207 ( -1.708 0.000 1.689) 2.402 10.276 ( 0.051 0.000 -1.133) 1.134 11.406 ( -6.512 0.000 -3.016) 7.176 11.706 ( -6.557 0.000 1.175) 6.662 11.759 ( -2.459 0.000 -0.073) 2.460 11.843 ( -1.662 0.000 3.580) 3.947 12.389 ( -2.361 0.000 2.651) 3.549 12.527 ( 2.497 0.000 -5.026) 5.612 13.033 ( 1.286 0.000 6.886) 7.005 13.431 ( 4.484 0.000 -1.038) 4.602 13.596 ( 2.396 0.000 -18.590) 18.744 13.627 ( 0.231 0.000 3.230) 3.238 14.162 ( -1.679 0.000 9.414) 9.563 14.265 ( 4.528 0.000 -0.297) 4.538 14.294 ( 4.260 0.000 -1.962) 4.690 14.452 ( 0.264 0.000 -1.439) 1.463 17.721 ( 2.998 0.000 2.798) 4.101 17.722 ( -0.105 0.000 -2.267) 2.270 17.849 ( -2.898 0.000 -1.454) 3.242 17.905 ( -0.220 0.000 0.736) 0.769 19.651 ( -0.270 0.000 0.525) 0.591 19.701 ( -0.511 0.000 -2.014) 2.078 19.787 ( -0.190 0.000 2.136) 2.144 19.850 ( 1.560 0.000 -1.545) 2.196 19.917 ( 1.727 0.000 0.882) 1.939 20.045 ( 0.221 0.000 -0.980) 1.004 20.112 ( -1.460 0.000 2.837) 3.191 20.123 ( 0.366 0.000 -0.118) 0.385 20.325 ( 6.664 0.000 -8.309) 10.651 20.348 ( -3.271 0.000 4.339) 5.433 21.060 ( 0.628 0.000 1.553) 1.675 21.175 ( -0.311 0.000 1.311) 1.347 21.351 ( 1.235 0.000 1.451) 1.905 21.457 ( 1.983 0.000 1.025) 2.232 27.431 ( 0.405 0.000 -0.764) 0.864 27.469 ( -0.648 0.000 0.062) 0.651 27.527 ( 0.121 0.000 0.831) 0.840 27.548 ( 0.785 0.000 -0.693) 1.047 28.471 ( -0.261 0.000 0.565) 0.622 28.474 ( 0.314 0.000 -0.147) 0.346 34.521 ( 3.890 0.000 0.851) 3.982 34.557 ( 5.071 0.000 -0.761) 5.128 35.068 ( -5.863 0.000 4.761) 7.552 35.436 ( -6.789 0.000 1.273) 6.908 37.534 ( -0.163 0.000 2.682) 2.687 37.638 ( -1.029 0.000 -2.968) 3.141 38.312 ( -20.711 0.000 -9.087) 22.616 38.932 ( -16.382 0.000 2.795) 16.619 39.607 ( -1.653 0.000 2.125) 2.692 40.042 ( 1.067 0.000 -9.242) 9.304 42.129 ( 20.739 0.000 -5.391) 21.428 42.749 ( -7.758 0.000 4.579) 9.009 ======================= Grid point 80 (28/90) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 5.272 0.000 2.424) 5.803 1.096 ( 2.051 0.000 3.339) 3.919 1.386 ( 0.413 0.000 12.431) 12.438 1.479 ( 9.356 0.000 -3.578) 10.017 1.807 ( -2.176 0.000 -10.351) 10.578 1.811 ( 7.165 0.000 -4.138) 8.274 1.885 ( -0.909 0.000 3.056) 3.188 1.997 ( -8.528 0.000 -4.566) 9.673 2.035 ( -0.286 0.000 -6.046) 6.052 2.229 ( 6.533 0.000 7.565) 9.996 2.338 ( 0.939 0.000 -18.572) 18.596 2.561 ( -3.084 0.000 -0.041) 3.084 2.614 ( -14.026 0.000 -13.153) 19.228 2.788 ( 3.312 0.000 2.060) 3.901 2.995 ( 5.292 0.000 10.524) 11.780 3.142 ( 12.966 0.000 14.889) 19.743 3.230 ( 4.005 0.000 5.856) 7.094 3.269 ( -0.249 0.000 1.330) 1.354 3.358 ( 0.377 0.000 -1.032) 1.098 3.615 ( 1.332 0.000 -2.322) 2.677 3.725 ( 6.987 0.000 0.793) 7.032 3.772 ( -4.543 0.000 -2.101) 5.005 3.860 ( 1.811 0.000 -0.559) 1.895 4.044 ( -10.637 0.000 0.481) 10.648 4.133 ( 4.872 0.000 -1.780) 5.187 4.239 ( -3.114 0.000 3.761) 4.883 4.363 ( -2.978 0.000 1.778) 3.468 4.437 ( 3.732 0.000 -0.926) 3.846 4.647 ( 2.212 0.000 -2.611) 3.422 4.678 ( -3.092 0.000 -6.888) 7.550 4.914 ( 1.994 0.000 2.146) 2.930 4.973 ( -1.454 0.000 -5.528) 5.716 5.174 ( 1.042 0.000 7.477) 7.549 5.262 ( 3.536 0.000 10.942) 11.499 5.591 ( 0.235 0.000 1.850) 1.865 5.656 ( -1.811 0.000 -4.300) 4.665 6.018 ( 0.749 0.000 -2.150) 2.277 6.100 ( 2.130 0.000 -2.647) 3.398 6.337 ( -1.424 0.000 0.325) 1.460 6.391 ( -3.586 0.000 0.979) 3.718 6.508 ( 0.463 0.000 3.975) 4.002 6.726 ( -2.200 0.000 -0.119) 2.203 7.003 ( -3.811 0.000 2.223) 4.412 7.095 ( 1.388 0.000 -3.938) 4.175 8.207 ( 6.192 0.000 -9.393) 11.251 8.256 ( -9.344 0.000 -4.889) 10.545 8.358 ( 10.169 0.000 7.238) 12.482 8.823 ( -11.415 0.000 3.092) 11.826 9.994 ( 0.428 0.000 1.512) 1.572 10.076 ( -0.056 0.000 -2.889) 2.890 10.192 ( -0.285 0.000 2.534) 2.550 10.271 ( -0.237 0.000 -1.038) 1.064 11.339 ( 0.239 0.000 1.073) 1.099 11.588 ( -4.878 0.000 -2.589) 5.522 11.733 ( -0.146 0.000 1.293) 1.301 11.819 ( -1.256 0.000 0.497) 1.351 12.353 ( -1.354 0.000 3.574) 3.822 12.575 ( 2.441 0.000 -6.850) 7.271 13.041 ( -1.359 0.000 9.395) 9.493 13.525 ( 2.731 0.000 1.201) 2.984 13.582 ( 0.572 0.000 -17.443) 17.452 13.616 ( -1.129 0.000 0.126) 1.136 14.139 ( -1.289 0.000 8.661) 8.756 14.326 ( 1.078 0.000 -2.269) 2.512 14.374 ( 3.378 0.000 0.847) 3.482 14.453 ( 0.110 0.000 0.112) 0.157 17.727 ( 0.832 0.000 -0.990) 1.293 17.769 ( -1.143 0.000 -0.263) 1.173 17.805 ( 1.308 0.000 1.335) 1.869 17.897 ( -0.678 0.000 -0.053) 0.680 19.647 ( -0.214 0.000 0.394) 0.449 19.690 ( -0.301 0.000 -2.047) 2.069 19.792 ( 0.262 0.000 2.679) 2.692 19.878 ( 1.183 0.000 -1.858) 2.203 19.949 ( 1.141 0.000 1.310) 1.737 20.039 ( -0.810 0.000 -1.568) 1.765 20.098 ( -0.205 0.000 1.877) 1.888 20.129 ( 0.467 0.000 -0.404) 0.617 20.282 ( -3.404 0.000 4.219) 5.421 20.421 ( 3.911 0.000 -6.046) 7.201 21.081 ( 1.270 0.000 2.262) 2.595 21.165 ( -0.766 0.000 0.153) 0.781 21.372 ( 0.609 0.000 1.878) 1.974 21.471 ( -0.346 0.000 -0.386) 0.518 27.442 ( 0.644 0.000 -0.593) 0.876 27.456 ( -0.536 0.000 -0.223) 0.581 27.526 ( -0.223 0.000 0.892) 0.919 27.556 ( 0.070 0.000 -0.510) 0.515 28.468 ( -0.078 0.000 0.503) 0.509 28.480 ( 0.211 0.000 -0.090) 0.229 34.594 ( 2.334 0.000 1.468) 2.757 34.651 ( 3.313 0.000 -1.137) 3.503 34.987 ( -1.921 0.000 4.356) 4.761 35.285 ( -6.324 0.000 -2.937) 6.973 37.532 ( -0.322 0.000 2.175) 2.199 37.631 ( 0.390 0.000 -2.290) 2.323 38.095 ( -0.636 0.000 1.729) 1.842 38.653 ( -10.720 0.000 -5.942) 12.257 39.612 ( 1.182 0.000 4.455) 4.610 40.037 ( -0.486 0.000 -10.968) 10.979 42.450 ( 10.726 0.000 -1.646) 10.852 42.580 ( -8.943 0.000 5.800) 10.659 ======================= Grid point 81 (29/90) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -10.943 0.000 -0.320) 10.948 1.146 ( 8.529 0.000 8.279) 11.886 1.252 ( -13.060 0.000 7.062) 14.847 1.640 ( 6.327 0.000 1.599) 6.526 1.658 ( -7.977 0.000 -6.799) 10.481 1.787 ( -7.899 0.000 -0.569) 7.919 1.926 ( -0.221 0.000 -0.542) 0.586 1.978 ( 5.052 0.000 -0.684) 5.098 1.993 ( -0.119 0.000 -14.792) 14.793 2.233 ( -16.522 0.000 -8.240) 18.463 2.364 ( -1.597 0.000 -13.217) 13.313 2.435 ( 4.190 0.000 -3.147) 5.240 2.572 ( 6.722 0.000 11.373) 13.211 2.755 ( -3.331 0.000 -0.602) 3.385 3.045 ( 0.285 0.000 8.529) 8.534 3.222 ( -2.579 0.000 4.690) 5.352 3.265 ( -0.336 0.000 3.353) 3.370 3.347 ( 6.266 0.000 6.373) 8.938 3.417 ( 3.675 0.000 1.576) 3.998 3.566 ( -4.509 0.000 -4.657) 6.482 3.701 ( -17.705 0.000 0.184) 17.706 3.738 ( 0.056 0.000 -0.037) 0.067 3.907 ( 7.823 0.000 -4.858) 9.209 3.973 ( 7.554 0.000 3.801) 8.456 4.162 ( -2.850 0.000 -1.355) 3.156 4.221 ( 2.701 0.000 1.129) 2.927 4.394 ( 2.717 0.000 4.841) 5.551 4.501 ( 1.830 0.000 0.263) 1.849 4.584 ( -4.288 0.000 -7.195) 8.375 4.697 ( 2.675 0.000 -1.698) 3.169 4.906 ( -1.536 0.000 -1.093) 1.886 4.946 ( -0.818 0.000 -5.106) 5.171 5.229 ( 1.940 0.000 11.390) 11.554 5.439 ( 10.819 0.000 13.585) 17.367 5.558 ( -5.189 0.000 -4.304) 6.742 5.607 ( 0.146 0.000 -3.251) 3.254 6.018 ( -0.715 0.000 -0.723) 1.017 6.040 ( -6.725 0.000 -5.293) 8.558 6.353 ( 0.651 0.000 -0.022) 0.651 6.373 ( 4.613 0.000 1.338) 4.803 6.546 ( 2.071 0.000 5.826) 6.183 6.691 ( -0.811 0.000 -1.853) 2.023 6.972 ( -0.572 0.000 0.594) 0.825 7.128 ( 2.654 0.000 -2.639) 3.743 7.977 ( -11.405 0.000 -2.568) 11.690 8.299 ( 2.093 0.000 -6.854) 7.167 8.606 ( -8.388 0.000 -3.279) 9.006 8.685 ( 15.046 0.000 8.826) 17.444 9.992 ( -0.630 0.000 1.237) 1.388 10.084 ( 1.000 0.000 -2.628) 2.812 10.196 ( 0.228 0.000 2.636) 2.646 10.267 ( -0.076 0.000 -1.138) 1.141 11.413 ( 6.234 0.000 4.284) 7.565 11.495 ( -3.688 0.000 -5.642) 6.741 11.758 ( 2.454 0.000 2.344) 3.394 11.795 ( -0.967 0.000 -0.737) 1.216 12.343 ( 0.004 0.000 3.226) 3.226 12.595 ( -0.035 0.000 -6.896) 6.897 13.013 ( -1.934 0.000 9.490) 9.685 13.471 ( -4.853 0.000 -5.997) 7.715 13.582 ( -2.337 0.000 -1.337) 2.693 13.660 ( 5.723 0.000 -7.914) 9.767 14.134 ( -0.241 0.000 7.899) 7.903 14.307 ( -2.186 0.000 -2.164) 3.076 14.433 ( 2.083 0.000 2.034) 2.912 14.457 ( 0.124 0.000 -0.973) 0.981 17.713 ( -2.871 0.000 -0.788) 2.977 17.753 ( 1.667 0.000 0.219) 1.681 17.864 ( 2.782 0.000 1.761) 3.293 17.876 ( -1.231 0.000 -1.178) 1.704 19.643 ( -0.125 0.000 0.323) 0.346 19.685 ( -0.009 0.000 -1.671) 1.671 19.801 ( 0.341 0.000 2.289) 2.314 19.888 ( -0.079 0.000 -1.900) 1.901 19.964 ( -0.017 0.000 2.150) 2.151 20.010 ( -1.620 0.000 -1.849) 2.458 20.102 ( 0.271 0.000 1.155) 1.187 20.149 ( 1.413 0.000 -0.383) 1.464 20.223 ( -2.516 0.000 2.422) 3.493 20.484 ( 3.087 0.000 -4.153) 5.175 21.121 ( 2.436 0.000 3.264) 4.073 21.145 ( -1.062 0.000 -0.832) 1.349 21.382 ( 0.219 0.000 2.897) 2.906 21.452 ( -1.309 0.000 -1.243) 1.805 27.446 ( -0.385 0.000 -0.688) 0.788 27.455 ( 0.606 0.000 -0.232) 0.649 27.520 ( -0.507 0.000 0.907) 1.039 27.551 ( -0.443 0.000 -0.418) 0.609 28.469 ( 0.100 0.000 0.469) 0.480 28.482 ( 0.071 0.000 -0.054) 0.089 34.593 ( -2.481 0.000 1.260) 2.782 34.657 ( -2.843 0.000 -0.952) 2.998 35.022 ( 4.556 0.000 6.663) 8.072 35.218 ( 0.750 0.000 -5.211) 5.264 37.526 ( -0.468 0.000 1.896) 1.953 37.639 ( 0.710 0.000 -2.004) 2.126 38.258 ( 14.950 0.000 8.972) 17.435 38.467 ( -6.643 0.000 -13.406) 14.961 39.652 ( 1.942 0.000 5.941) 6.250 39.999 ( -1.644 0.000 -12.590) 12.697 42.383 ( -11.237 0.000 0.655) 11.256 42.566 ( 0.249 0.000 3.917) 3.925 ======================= Grid point 82 (30/90) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -17.633 0.000 -2.443) 17.801 0.934 ( -17.488 0.000 5.972) 18.479 1.213 ( -4.206 0.000 -5.172) 6.667 1.553 ( -7.007 0.000 4.695) 8.434 1.602 ( -27.702 0.000 -2.838) 27.847 1.694 ( 5.450 0.000 0.850) 5.516 1.751 ( 2.658 0.000 3.727) 4.578 1.821 ( -8.279 0.000 -11.297) 14.006 2.006 ( -1.513 0.000 -7.547) 7.698 2.196 ( 4.838 0.000 -5.001) 6.958 2.280 ( -3.507 0.000 -2.328) 4.209 2.532 ( 7.975 0.000 5.614) 9.753 2.646 ( -1.729 0.000 5.486) 5.752 2.772 ( 4.550 0.000 1.626) 4.832 3.048 ( -4.650 0.000 0.965) 4.749 3.224 ( -4.736 0.000 -3.467) 5.870 3.284 ( 9.768 0.000 10.606) 14.419 3.308 ( -7.547 0.000 -2.688) 8.012 3.456 ( -5.403 0.000 -4.872) 7.275 3.487 ( 0.097 0.000 2.857) 2.859 3.542 ( 3.767 0.000 7.443) 8.342 3.770 ( 2.969 0.000 0.591) 3.027 3.960 ( 0.037 0.000 -5.497) 5.498 4.081 ( 1.916 0.000 4.306) 4.713 4.158 ( 1.852 0.000 -4.002) 4.410 4.261 ( 1.898 0.000 3.723) 4.179 4.458 ( 1.501 0.000 -3.251) 3.581 4.483 ( -4.001 0.000 -5.336) 6.669 4.514 ( -0.931 0.000 -3.889) 3.999 4.722 ( -0.526 0.000 -0.531) 0.747 4.874 ( -1.266 0.000 0.188) 1.280 4.886 ( -5.519 0.000 -2.047) 5.886 5.264 ( -0.127 0.000 11.721) 11.722 5.453 ( -2.672 0.000 -5.651) 6.251 5.627 ( 1.745 0.000 -2.929) 3.409 5.700 ( 12.905 0.000 11.015) 16.967 5.905 ( -4.432 0.000 -3.039) 5.374 5.983 ( -2.264 0.000 0.763) 2.390 6.387 ( 1.705 0.000 0.305) 1.732 6.486 ( 4.412 0.000 0.108) 4.414 6.606 ( 3.730 0.000 7.732) 8.585 6.709 ( 2.974 0.000 -3.537) 4.621 6.911 ( -5.219 0.000 -1.702) 5.489 7.192 ( 2.854 0.000 -1.334) 3.150 7.838 ( -1.975 0.000 2.738) 3.376 8.235 ( -6.210 0.000 -0.360) 6.220 8.511 ( -1.251 0.000 -10.408) 10.483 8.954 ( 9.462 0.000 7.054) 11.803 9.986 ( 0.284 0.000 2.425) 2.442 10.106 ( 1.324 0.000 -2.519) 2.846 10.210 ( 1.081 0.000 1.660) 1.981 10.265 ( 0.051 0.000 -1.155) 1.156 11.424 ( -2.464 0.000 -5.791) 6.293 11.578 ( 8.330 0.000 5.151) 9.794 11.781 ( -0.254 0.000 -0.329) 0.416 11.837 ( 4.687 0.000 2.973) 5.551 12.362 ( 1.429 0.000 1.787) 2.288 12.552 ( -3.012 0.000 -4.444) 5.368 13.000 ( -0.405 0.000 7.053) 7.064 13.343 ( -6.740 0.000 -6.175) 9.141 13.507 ( -4.746 0.000 -2.206) 5.233 13.769 ( 5.509 0.000 -5.941) 8.102 14.143 ( 0.044 0.000 6.090) 6.091 14.250 ( -2.889 0.000 -0.541) 2.939 14.451 ( -0.447 0.000 -2.824) 2.859 14.457 ( -0.163 0.000 0.609) 0.630 17.660 ( -2.118 0.000 0.196) 2.127 17.790 ( 1.444 0.000 0.691) 1.601 17.851 ( -0.535 0.000 -1.850) 1.925 17.912 ( 1.692 0.000 0.665) 1.818 19.645 ( 0.328 0.000 0.483) 0.584 19.683 ( 0.040 0.000 -1.242) 1.243 19.810 ( 0.321 0.000 1.128) 1.173 19.873 ( -0.975 0.000 -1.614) 1.885 19.950 ( -1.697 0.000 3.086) 3.522 19.969 ( -2.165 0.000 -2.080) 3.003 20.107 ( 0.110 0.000 0.751) 0.759 20.145 ( -2.178 0.000 1.426) 2.604 20.226 ( 3.111 0.000 -2.149) 3.781 20.542 ( 2.849 0.000 -3.201) 4.285 21.124 ( -0.722 0.000 -1.256) 1.449 21.190 ( 3.689 0.000 2.739) 4.595 21.398 ( 1.244 0.000 5.546) 5.684 21.414 ( -2.197 0.000 -1.279) 2.542 27.438 ( -0.425 0.000 -1.287) 1.355 27.464 ( 0.253 0.000 0.375) 0.452 27.508 ( -0.728 0.000 0.528) 0.899 27.540 ( -0.542 0.000 -0.087) 0.549 28.472 ( 0.068 0.000 0.292) 0.299 28.484 ( 0.073 0.000 0.108) 0.130 34.523 ( -3.805 0.000 0.655) 3.861 34.562 ( -5.278 0.000 -0.654) 5.318 35.176 ( 9.366 0.000 12.468) 15.594 35.279 ( 4.854 0.000 -5.166) 7.089 37.519 ( -0.426 0.000 1.823) 1.872 37.658 ( 1.352 0.000 -2.140) 2.532 38.323 ( -6.078 0.000 -17.353) 18.386 38.686 ( 23.961 0.000 9.915) 25.931 39.713 ( 3.859 0.000 5.915) 7.062 39.949 ( -1.357 0.000 -13.415) 13.484 42.080 ( -18.970 0.000 -8.298) 20.706 42.450 ( -13.281 0.000 10.759) 17.092 ======================= Grid point 83 (31/90) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -1.405 0.000 21.631) 21.677 0.568 ( -17.580 0.000 11.698) 21.117 0.989 ( -29.151 0.000 16.738) 33.614 1.113 ( -1.190 0.000 -16.770) 16.812 1.400 ( -5.573 0.000 2.043) 5.936 1.582 ( -11.094 0.000 -21.692) 24.364 1.843 ( 2.395 0.000 -1.460) 2.805 1.852 ( 5.953 0.000 5.431) 8.058 2.026 ( 7.072 0.000 4.645) 8.461 2.203 ( -6.812 0.000 -14.738) 16.236 2.252 ( -0.276 0.000 10.348) 10.352 2.587 ( -3.296 0.000 2.100) 3.908 2.738 ( 9.061 0.000 7.082) 11.501 2.843 ( -0.548 0.000 1.224) 1.341 2.926 ( -4.702 0.000 -0.578) 4.738 3.129 ( 0.115 0.000 -6.409) 6.410 3.220 ( -2.109 0.000 -7.002) 7.313 3.282 ( -9.450 0.000 -0.346) 9.456 3.505 ( 5.748 0.000 1.298) 5.892 3.519 ( 1.939 0.000 4.728) 5.110 3.611 ( 1.669 0.000 3.472) 3.853 3.786 ( -1.643 0.000 -7.389) 7.569 3.983 ( 2.937 0.000 -3.191) 4.337 4.126 ( 1.717 0.000 2.702) 3.201 4.169 ( -0.693 0.000 -3.326) 3.397 4.304 ( -5.385 0.000 -2.409) 5.900 4.351 ( 0.774 0.000 -2.795) 2.900 4.437 ( -2.399 0.000 -6.279) 6.722 4.508 ( 1.116 0.000 -4.014) 4.166 4.666 ( -4.501 0.000 -1.101) 4.634 4.790 ( -1.397 0.000 8.329) 8.445 4.869 ( 0.673 0.000 3.467) 3.532 5.238 ( -3.693 0.000 8.661) 9.415 5.391 ( -4.014 0.000 -6.509) 7.648 5.679 ( 3.187 0.000 0.082) 3.188 5.868 ( -0.284 0.000 -0.890) 0.934 5.869 ( 0.979 0.000 -1.585) 1.864 6.039 ( 6.395 0.000 -1.612) 6.595 6.405 ( 0.113 0.000 2.236) 2.239 6.550 ( 4.073 0.000 1.346) 4.289 6.721 ( 5.665 0.000 9.117) 10.734 6.739 ( -0.950 0.000 -7.031) 7.095 6.871 ( 3.585 0.000 4.235) 5.549 7.197 ( -2.434 0.000 -2.091) 3.209 7.854 ( 1.722 0.000 3.763) 4.138 8.126 ( -3.740 0.000 -2.561) 4.533 8.526 ( 8.090 0.000 6.997) 10.696 9.075 ( 1.545 0.000 5.059) 5.290 10.031 ( 4.254 0.000 4.414) 6.130 10.124 ( 0.449 0.000 -0.849) 0.961 10.252 ( 2.831 0.000 -0.976) 2.995 10.268 ( 0.483 0.000 -0.404) 0.630 11.416 ( 5.115 0.000 3.432) 6.160 11.731 ( 5.139 0.000 4.743) 6.993 11.784 ( 0.583 0.000 1.151) 1.290 11.923 ( 1.891 0.000 2.266) 2.952 12.402 ( 2.197 0.000 0.436) 2.240 12.504 ( -0.354 0.000 -1.293) 1.341 12.988 ( -2.143 0.000 3.271) 3.911 13.177 ( -9.027 0.000 -6.689) 11.235 13.410 ( -2.886 0.000 -1.891) 3.451 13.858 ( 2.710 0.000 -6.783) 7.304 14.128 ( -3.265 0.000 1.825) 3.741 14.194 ( -2.484 0.000 0.026) 2.484 14.400 ( -6.211 0.000 -4.084) 7.433 14.438 ( -0.322 0.000 -3.425) 3.440 17.630 ( -0.843 0.000 1.284) 1.536 17.789 ( -1.067 0.000 -2.160) 2.409 17.871 ( 1.916 0.000 0.628) 2.017 17.934 ( 0.509 0.000 -0.283) 0.582 19.657 ( 0.635 0.000 0.655) 0.912 19.684 ( 0.207 0.000 -0.696) 0.726 19.815 ( 0.067 0.000 -0.193) 0.205 19.853 ( -0.621 0.000 -1.021) 1.195 19.899 ( -3.357 0.000 2.432) 4.145 19.914 ( -3.060 0.000 -2.018) 3.666 20.106 ( -1.246 0.000 0.050) 1.247 20.107 ( -0.190 0.000 0.400) 0.442 20.304 ( 4.217 0.000 -2.015) 4.674 20.574 ( -0.524 0.000 -5.267) 5.293 21.119 ( 0.524 0.000 -0.965) 1.098 21.256 ( 2.075 0.000 -1.039) 2.321 21.363 ( -2.331 0.000 -0.825) 2.473 21.446 ( 0.363 0.000 1.803) 1.839 27.423 ( -0.664 0.000 -1.053) 1.245 27.461 ( -0.729 0.000 0.793) 1.077 27.498 ( -0.059 0.000 0.009) 0.060 27.531 ( -0.308 0.000 0.261) 0.403 28.471 ( -0.193 0.000 -0.160) 0.251 28.484 ( -0.122 0.000 0.145) 0.189 34.456 ( -2.430 0.000 0.197) 2.438 34.468 ( -3.320 0.000 -0.268) 3.331 35.382 ( 5.279 0.000 -2.895) 6.021 35.483 ( 19.162 0.000 17.579) 26.004 37.516 ( 0.200 0.000 2.493) 2.501 37.684 ( 1.192 0.000 -2.730) 2.979 38.259 ( 12.296 0.000 10.309) 16.045 39.147 ( 15.474 0.000 7.904) 17.375 39.887 ( 14.396 0.000 3.198) 14.747 39.927 ( 1.253 0.000 -11.723) 11.790 41.515 ( -35.652 0.000 -12.882) 37.908 42.008 ( -31.015 0.000 12.688) 33.510 ======================= Grid point 84 (32/90) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -4.254 18.344 8.152) 20.519 0.921 ( 20.001 13.809 30.697) 39.154 1.160 ( 3.072 4.950 -17.869) 18.795 1.232 ( 3.055 35.930 13.991) 38.679 1.459 ( 3.895 6.497 5.339) 9.267 1.587 ( -12.457 -2.905 1.045) 12.834 1.642 ( -3.104 20.291 -10.152) 22.901 1.977 ( 4.948 -1.065 5.176) 7.239 2.061 ( -3.106 16.165 -7.130) 17.938 2.240 ( -1.054 7.518 -0.822) 7.636 2.452 ( -0.585 11.398 11.479) 16.187 2.539 ( 2.142 1.043 2.154) 3.211 2.779 ( -2.801 1.517 -1.804) 3.660 2.889 ( 1.549 5.079 0.091) 5.311 2.898 ( -8.162 -1.824 -1.197) 8.448 3.008 ( -0.791 0.924 -4.992) 5.138 3.210 ( -0.869 7.490 -5.070) 9.087 3.273 ( 3.163 1.425 -3.024) 4.602 3.388 ( -7.609 0.001 8.773) 11.613 3.514 ( -0.661 -0.436 -1.787) 1.954 3.608 ( -2.293 2.960 -2.782) 4.665 3.741 ( 2.639 -2.377 -6.582) 7.479 3.965 ( -0.429 -5.014 -0.641) 5.073 4.054 ( 3.267 -1.332 0.999) 3.667 4.169 ( 1.655 1.614 -3.482) 4.180 4.289 ( -6.953 6.686 -4.048) 10.461 4.441 ( 1.314 -3.195 2.951) 4.543 4.506 ( 1.843 3.996 0.081) 4.401 4.539 ( -1.923 -1.027 0.463) 2.229 4.624 ( 4.523 3.384 -4.913) 7.486 4.895 ( 1.968 -0.129 5.440) 5.787 5.015 ( 2.670 3.618 0.290) 4.506 5.178 ( 1.313 3.341 1.170) 3.775 5.281 ( -5.198 -2.877 -3.830) 7.069 5.563 ( -1.084 -5.456 2.897) 6.272 5.666 ( -3.062 -8.240 1.169) 8.868 5.864 ( -2.262 -1.025 2.868) 3.793 5.963 ( 1.438 -0.801 0.662) 1.774 6.414 ( 2.067 -1.563 3.605) 4.440 6.578 ( -2.113 -4.251 -3.246) 5.751 6.680 ( 1.118 -0.456 6.172) 6.289 6.845 ( 2.991 2.209 1.999) 4.221 7.079 ( -5.460 -2.858 -4.705) 7.754 7.115 ( -1.046 3.271 -6.975) 7.774 7.871 ( 0.956 -0.457 4.629) 4.749 8.101 ( -2.437 4.040 -5.269) 7.073 8.822 ( 13.014 -6.809 11.976) 18.951 9.092 ( -1.458 -3.016 -4.471) 5.587 9.984 ( -1.893 -2.694 5.731) 6.609 10.116 ( 0.042 -0.697 -0.851) 1.101 10.276 ( -0.724 0.218 -0.009) 0.756 10.329 ( 0.530 0.052 -2.308) 2.368 11.548 ( 6.621 -6.728 7.225) 11.887 11.681 ( -0.731 -4.297 -1.040) 4.481 11.925 ( -1.193 6.650 6.920) 9.671 12.254 ( 7.116 -0.696 -5.220) 8.853 12.450 ( -0.146 2.364 -2.226) 3.250 12.492 ( -0.659 0.995 -1.835) 2.189 13.012 ( -0.019 6.493 1.711) 6.714 13.229 ( 7.736 11.484 -12.384) 18.577 13.390 ( 4.243 -4.101 2.392) 6.368 13.532 ( -16.041 -6.613 -3.121) 17.629 14.017 ( 2.364 -3.625 3.184) 5.372 14.141 ( -2.453 -3.131 -3.097) 5.041 14.251 ( -0.619 -0.626 4.169) 4.261 14.422 ( -0.349 -1.841 -2.616) 3.218 17.632 ( 0.497 0.045 1.983) 2.044 17.749 ( -0.821 -1.101 -3.185) 3.468 17.898 ( 0.276 -0.441 1.475) 1.564 17.946 ( 0.118 0.762 -0.813) 1.120 19.675 ( 1.406 0.026 1.339) 1.942 19.730 ( 0.828 2.220 -0.634) 2.453 19.787 ( -0.321 -3.279 0.367) 3.315 19.803 ( -0.565 -3.493 -0.027) 3.538 19.859 ( 0.165 0.640 0.104) 0.669 19.908 ( 0.794 2.952 -4.021) 5.051 20.066 ( 0.419 -2.988 0.146) 3.021 20.073 ( -0.480 -2.428 -0.281) 2.491 20.303 ( -9.766 -4.274 4.266) 11.482 20.350 ( 2.324 -2.194 0.004) 3.196 21.091 ( -0.324 -1.149 3.331) 3.538 21.214 ( -2.192 -1.524 -2.781) 3.855 21.321 ( -2.148 1.208 0.082) 2.466 21.344 ( 0.427 0.870 -0.536) 1.108 27.433 ( 0.725 -0.081 0.437) 0.850 27.453 ( 0.213 -0.029 -0.578) 0.616 27.519 ( 0.220 0.902 0.684) 1.153 27.538 ( -0.386 1.316 -0.245) 1.393 28.481 ( 0.399 0.864 0.188) 0.970 28.491 ( -0.336 1.124 -0.205) 1.191 34.490 ( 0.022 5.661 0.100) 5.662 34.493 ( -0.295 6.038 -0.033) 6.046 35.399 ( 1.115 10.898 11.300) 15.738 36.204 ( -14.811 18.981 -34.760) 42.284 37.762 ( -0.948 21.347 0.590) 21.376 37.969 ( -6.314 19.660 -10.189) 23.026 39.263 ( -4.338 -0.526 4.770) 6.469 39.464 ( 25.348 -8.466 1.366) 26.759 40.060 ( -2.064 -6.213 0.502) 6.566 40.074 ( 4.117 -1.715 -0.641) 4.506 41.102 ( 34.283 -12.227 11.951) 38.310 41.372 ( -1.160 -6.605 -3.969) 7.793 ======================= Grid point 85 (33/90) ======================= q-point: ( 0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 15.169 13.603 3.494) 20.673 1.176 ( 0.273 14.817 -5.136) 15.685 1.248 ( 11.306 22.843 2.808) 25.642 1.472 ( 3.945 11.192 -5.179) 12.948 1.533 ( 11.542 8.197 0.525) 14.167 1.610 ( 10.858 6.152 12.314) 17.532 1.713 ( 9.206 12.998 -0.353) 15.931 1.967 ( -1.877 10.015 -3.668) 10.830 2.103 ( 3.521 -3.589 4.228) 6.569 2.201 ( -0.278 3.731 -8.357) 9.156 2.446 ( 1.393 2.943 14.117) 14.487 2.600 ( 0.093 0.926 4.670) 4.761 2.692 ( -4.758 3.169 -1.873) 6.015 2.768 ( -2.287 0.452 -2.396) 3.343 2.911 ( -2.340 6.807 -0.451) 7.212 2.948 ( -0.965 0.179 -2.498) 2.684 3.157 ( -4.241 7.901 -3.879) 9.770 3.321 ( 2.193 5.408 6.726) 8.905 3.377 ( 2.567 -1.474 -2.478) 3.860 3.486 ( 0.089 -1.230 2.026) 2.371 3.573 ( 0.792 5.891 -1.736) 6.192 3.788 ( 1.446 0.422 -4.668) 4.905 3.943 ( -1.629 -3.975 -1.400) 4.518 4.073 ( -2.114 0.201 -1.555) 2.632 4.141 ( -3.338 -0.282 -2.943) 4.459 4.234 ( 2.521 5.606 3.061) 6.866 4.409 ( -1.674 1.346 -5.092) 5.526 4.534 ( 1.472 0.309 0.410) 1.559 4.585 ( 2.779 -4.346 2.942) 5.939 4.710 ( 3.511 1.882 -5.762) 7.005 4.931 ( -0.663 3.575 6.080) 7.084 5.035 ( -0.448 -5.913 -3.217) 6.747 5.115 ( -2.784 1.748 -1.262) 3.521 5.322 ( 2.992 -1.606 2.156) 4.022 5.519 ( -0.587 6.548 2.709) 7.110 5.631 ( -0.436 -8.044 3.145) 8.648 5.894 ( 3.587 -2.741 -1.339) 4.709 5.999 ( 1.879 1.745 2.281) 3.432 6.440 ( -0.659 -2.329 4.371) 4.996 6.492 ( -5.471 -5.522 -3.783) 8.645 6.652 ( -4.227 1.508 1.912) 4.878 6.880 ( -1.941 5.942 -1.095) 6.346 6.909 ( -5.937 -8.599 -0.470) 10.460 7.125 ( 3.037 1.067 0.151) 3.223 7.916 ( 3.351 2.375 6.115) 7.367 8.098 ( 2.407 3.247 -4.795) 6.271 8.856 ( -8.244 -2.059 -2.720) 8.922 9.083 ( -0.895 -8.304 2.105) 8.614 9.959 ( -0.332 0.389 4.600) 4.628 10.116 ( 0.026 -0.016 -1.469) 1.470 10.252 ( -1.517 0.315 0.442) 1.611 10.310 ( -1.463 0.861 -1.369) 2.181 11.531 ( -6.484 -4.084 -1.323) 7.776 11.676 ( -0.202 -3.582 1.187) 3.779 11.899 ( -1.376 6.375 4.340) 7.834 12.209 ( -11.212 9.070 -1.422) 14.492 12.429 ( -1.057 1.546 -0.099) 1.876 12.517 ( 1.885 0.050 -1.174) 2.221 12.935 ( 1.398 -0.635 0.603) 1.650 13.334 ( 0.425 -2.522 1.667) 3.053 13.431 ( 4.118 -0.764 -7.802) 8.855 13.603 ( 9.768 -1.383 -5.963) 11.528 14.079 ( 2.476 -5.327 3.968) 7.089 14.132 ( 2.147 -4.052 -1.466) 4.815 14.232 ( -0.978 -0.938 3.007) 3.299 14.421 ( 0.408 -2.287 -2.272) 3.249 17.646 ( 0.469 -1.395 1.515) 2.112 17.753 ( 1.608 0.858 -2.165) 2.830 17.843 ( -3.557 -2.058 -0.063) 4.110 17.983 ( 1.304 3.163 0.061) 3.421 19.684 ( -0.563 1.485 0.731) 1.749 19.723 ( -0.912 0.346 -1.980) 2.207 19.767 ( -0.843 -3.104 0.264) 3.227 19.822 ( 0.479 -0.109 0.667) 0.828 19.867 ( 1.647 -1.103 0.749) 2.119 19.990 ( 4.222 -3.113 -3.303) 6.199 20.067 ( 0.283 -3.858 0.067) 3.869 20.083 ( 1.285 -2.861 -0.451) 3.169 20.194 ( -0.032 0.814 0.883) 1.202 20.370 ( -0.742 -2.094 2.430) 3.292 21.063 ( -1.584 0.524 2.326) 2.862 21.176 ( -0.857 -0.871 -0.436) 1.297 21.325 ( 1.384 0.398 0.848) 1.671 21.402 ( 3.846 0.935 0.217) 3.964 27.435 ( 0.036 0.490 -0.399) 0.633 27.474 ( 0.859 -0.788 -0.154) 1.175 27.524 ( 0.283 0.773 0.606) 1.022 27.536 ( 0.346 1.014 -0.263) 1.103 28.481 ( -0.175 0.829 -0.134) 0.858 28.487 ( -0.174 1.080 0.279) 1.129 34.519 ( 2.645 6.116 0.227) 6.668 34.530 ( 3.682 6.139 -0.098) 7.159 35.366 ( -5.948 13.986 10.418) 18.427 35.798 ( -15.730 18.202 -13.049) 27.368 37.725 ( -2.032 18.261 3.716) 18.745 37.878 ( -2.907 17.393 -3.810) 18.041 38.904 ( -30.061 -1.349 -6.330) 30.750 39.273 ( -20.895 -5.000 7.949) 22.908 39.748 ( -11.803 0.827 -1.613) 11.942 40.047 ( -0.160 1.755 -5.472) 5.748 41.529 ( 24.075 -11.182 -5.426) 27.094 42.283 ( 29.350 -35.875 -1.671) 46.381 ======================= Grid point 86 (34/90) ======================= q-point: ( 0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 14.367 7.975 1.262) 16.480 1.121 ( -2.644 12.381 -4.926) 13.585 1.483 ( 10.084 19.971 2.569) 22.519 1.558 ( 5.312 17.249 -9.513) 20.402 1.727 ( 9.892 -3.504 -9.087) 13.882 1.820 ( 5.523 2.788 7.175) 9.474 1.859 ( 1.590 4.636 -5.555) 7.408 1.952 ( 0.049 5.289 1.894) 5.618 2.113 ( 4.411 15.425 -7.105) 17.546 2.306 ( 1.701 -7.834 2.363) 8.357 2.467 ( -10.183 1.125 2.004) 10.439 2.548 ( 0.907 -0.741 1.085) 1.597 2.634 ( 3.315 0.208 6.729) 7.504 2.770 ( 4.580 4.317 4.450) 7.709 2.902 ( 3.148 2.576 7.336) 8.388 3.022 ( 4.390 2.894 -2.514) 5.828 3.062 ( -1.904 5.826 -2.296) 6.545 3.336 ( -3.238 0.950 -1.690) 3.774 3.412 ( 3.399 4.863 5.348) 7.988 3.569 ( 5.804 -0.519 1.320) 5.975 3.611 ( 1.170 1.270 0.935) 1.963 3.762 ( -2.481 0.540 -1.010) 2.733 3.890 ( -4.703 -5.147 -2.184) 7.307 4.022 ( -0.799 -4.370 -3.736) 5.805 4.079 ( -2.525 -3.025 -2.851) 4.864 4.298 ( 2.967 6.136 5.898) 9.013 4.393 ( 0.173 1.545 -4.305) 4.577 4.556 ( -4.662 0.136 2.474) 5.279 4.619 ( 5.025 1.427 -2.282) 5.700 4.747 ( 0.855 2.315 -6.910) 7.338 4.906 ( -1.571 2.726 3.363) 4.605 5.004 ( 1.591 2.335 -2.117) 3.530 5.151 ( 2.653 -2.428 3.215) 4.824 5.282 ( -4.713 0.147 2.313) 5.252 5.560 ( 0.683 0.077 4.369) 4.423 5.655 ( 3.262 0.039 -0.846) 3.370 5.966 ( 2.938 -2.909 -2.662) 4.917 6.050 ( 3.000 2.894 1.884) 4.574 6.355 ( -6.203 -6.874 -0.482) 9.271 6.394 ( -4.456 -1.359 2.142) 5.127 6.542 ( -4.885 -1.679 0.441) 5.184 6.780 ( -7.374 -5.071 1.233) 9.033 6.883 ( 3.437 -4.506 -1.799) 5.946 7.183 ( 0.637 1.531 0.220) 1.673 8.029 ( 6.458 0.971 4.116) 7.719 8.198 ( 8.082 7.651 -1.683) 11.255 8.615 ( -12.967 0.707 -7.917) 15.209 9.009 ( -6.160 -1.821 3.868) 7.498 9.976 ( 1.146 0.586 2.612) 2.912 10.109 ( -0.575 1.174 -3.186) 3.444 10.214 ( -1.618 0.414 2.087) 2.673 10.291 ( -0.434 1.016 -0.927) 1.442 11.400 ( -4.761 -0.268 -1.991) 5.167 11.656 ( -1.654 -0.547 -0.400) 1.787 11.870 ( -2.182 5.667 1.759) 6.323 11.986 ( -8.131 11.736 1.315) 14.338 12.407 ( -1.495 1.872 2.127) 3.203 12.548 ( 2.125 1.845 -4.335) 5.169 13.014 ( 3.337 -1.803 4.971) 6.253 13.388 ( 4.031 -4.517 1.455) 6.227 13.487 ( 2.197 -4.153 -7.675) 8.999 13.673 ( -0.766 -1.003 -6.515) 6.636 14.108 ( -0.501 -5.136 6.212) 8.076 14.188 ( 2.262 -6.246 0.702) 6.680 14.261 ( 3.983 -3.587 -0.223) 5.365 14.424 ( -0.236 -2.947 -1.471) 3.303 17.655 ( 0.494 -2.966 0.212) 3.014 17.774 ( -2.943 -3.860 -0.602) 4.891 17.806 ( 3.217 3.949 -0.027) 5.093 17.989 ( -0.603 4.979 0.121) 5.017 19.672 ( -0.586 1.547 0.517) 1.733 19.704 ( -0.560 0.033 -2.179) 2.250 19.757 ( -0.051 -2.725 1.273) 3.008 19.837 ( 0.846 -1.587 -0.542) 1.879 19.906 ( 1.760 -0.789 1.223) 2.284 20.025 ( 0.557 -1.913 -0.705) 2.114 20.068 ( -0.384 -4.055 1.064) 4.210 20.097 ( 0.001 -3.062 0.214) 3.070 20.266 ( 4.343 -3.047 -3.964) 6.623 20.337 ( -1.793 -1.423 1.917) 2.986 21.049 ( -0.164 -0.725 2.006) 2.139 21.162 ( -0.641 -1.481 0.053) 1.614 21.358 ( 1.526 0.565 1.221) 2.034 21.465 ( 1.780 0.357 0.497) 1.882 27.440 ( 0.419 0.698 -0.509) 0.961 27.478 ( -0.294 0.459 0.043) 0.547 27.531 ( 0.115 0.451 0.727) 0.863 27.548 ( 0.660 0.253 -0.541) 0.890 28.480 ( -0.103 0.741 0.399) 0.848 28.483 ( 0.010 0.951 -0.072) 0.954 34.595 ( 4.357 6.987 0.971) 8.291 34.630 ( 5.722 6.949 -0.562) 9.019 35.218 ( -7.840 13.963 5.479) 16.925 35.534 ( -10.694 8.440 -2.827) 13.914 37.698 ( -1.119 14.623 3.922) 15.181 37.817 ( -2.658 16.610 -2.640) 17.028 38.317 ( -20.212 0.600 -8.750) 22.033 38.899 ( -15.620 -3.125 2.654) 16.149 39.638 ( -1.363 3.134 2.082) 4.002 40.056 ( 0.954 1.485 -8.395) 8.578 42.001 ( 20.222 -12.463 -3.946) 24.080 42.517 ( 0.167 -20.394 5.113) 21.025 ======================= Grid point 87 (35/90) ======================= q-point: ( 0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 3.141 8.992 -0.052) 9.525 1.189 ( 1.429 9.119 1.357) 9.329 1.613 ( 4.129 8.048 -2.770) 9.460 1.685 ( 1.855 15.041 -5.341) 16.069 1.782 ( 3.435 5.802 -3.134) 7.435 1.876 ( -0.493 0.788 2.075) 2.274 1.952 ( 1.337 8.706 -0.737) 8.839 1.967 ( 3.698 1.514 0.033) 3.997 2.123 ( -7.952 5.072 -4.965) 10.659 2.242 ( -4.459 0.002 -17.982) 18.527 2.310 ( 6.633 8.298 9.136) 14.011 2.645 ( -2.374 5.640 0.678) 6.157 2.717 ( -8.790 8.226 -5.432) 13.207 2.735 ( 9.881 -5.193 8.786) 14.206 3.021 ( -0.543 4.571 1.047) 4.721 3.116 ( 2.701 -5.839 2.471) 6.892 3.155 ( 12.930 -0.966 9.703) 16.195 3.289 ( -0.011 -0.302 -3.394) 3.408 3.419 ( -3.333 3.898 4.414) 6.766 3.606 ( -1.818 -0.643 -3.113) 3.662 3.630 ( 1.214 -6.218 1.695) 6.558 3.746 ( -6.575 -5.395 0.852) 8.548 3.828 ( 8.344 -1.160 1.789) 8.612 4.002 ( -3.267 -3.523 -2.534) 5.432 4.073 ( 3.770 -2.346 -1.158) 4.588 4.298 ( -10.231 0.861 0.746) 10.294 4.356 ( 1.434 1.585 4.101) 4.625 4.493 ( 1.364 5.074 -1.814) 5.558 4.713 ( -0.674 3.651 -6.031) 7.082 4.746 ( 3.434 6.315 -3.430) 7.965 4.894 ( 0.594 0.850 0.251) 1.067 5.044 ( -0.939 4.617 -1.280) 4.882 5.212 ( 1.914 1.437 3.976) 4.641 5.239 ( 3.616 -0.769 8.507) 9.275 5.551 ( -1.016 -2.808 4.279) 5.218 5.711 ( 1.400 4.389 -3.628) 5.864 5.987 ( 0.119 -4.668 -3.491) 5.830 6.105 ( 0.004 1.184 -2.058) 2.374 6.276 ( -0.798 -5.655 2.286) 6.152 6.320 ( -1.812 -2.927 1.156) 3.631 6.458 ( -2.829 -4.079 2.316) 5.478 6.645 ( -5.041 -7.426 0.280) 8.980 6.988 ( 5.913 -0.136 -0.117) 5.916 7.136 ( -4.220 1.045 -0.955) 4.451 8.172 ( 7.047 -1.788 -4.045) 8.320 8.262 ( -10.230 0.367 -4.826) 11.317 8.488 ( 9.207 10.538 3.477) 14.419 8.856 ( -8.623 3.591 1.719) 9.497 9.996 ( 0.343 0.265 1.529) 1.589 10.091 ( -0.488 1.145 -3.264) 3.493 10.206 ( 0.258 1.019 2.658) 2.858 10.282 ( -0.352 0.829 -0.774) 1.187 11.355 ( 0.557 1.456 1.441) 2.123 11.606 ( -3.048 2.083 -3.375) 5.002 11.822 ( -1.412 6.667 1.139) 6.910 11.892 ( -2.240 7.375 0.828) 7.752 12.379 ( -1.271 2.423 3.304) 4.290 12.591 ( 2.293 1.699 -6.547) 7.142 13.049 ( -0.671 0.722 8.590) 8.646 13.457 ( 1.406 -6.853 -1.206) 7.099 13.532 ( 3.154 -2.953 -5.733) 7.179 13.618 ( -2.281 -1.337 -7.304) 7.767 14.091 ( -1.426 -4.510 7.544) 8.904 14.224 ( 1.171 -8.020 -0.671) 8.133 14.353 ( 4.130 -3.699 -0.099) 5.545 14.404 ( -1.460 -4.402 -0.234) 4.644 17.671 ( 1.023 -3.578 -0.051) 3.722 17.719 ( -2.099 -3.739 -0.726) 4.349 17.874 ( 2.971 4.962 1.050) 5.878 17.964 ( -1.539 4.965 -0.239) 5.203 19.662 ( -0.396 1.272 0.206) 1.348 19.693 ( -0.306 0.007 -1.828) 1.853 19.768 ( 0.728 -2.138 2.229) 3.173 19.851 ( 0.628 -2.844 -1.426) 3.243 19.938 ( 1.099 -0.844 1.372) 1.950 20.021 ( -0.793 -1.719 -1.366) 2.334 20.064 ( 0.056 -3.393 1.255) 3.618 20.095 ( -0.065 -3.258 -0.090) 3.260 20.261 ( -2.743 -1.601 3.556) 4.768 20.374 ( 3.728 -3.386 -5.064) 7.142 21.055 ( 0.399 -2.105 2.621) 3.385 21.149 ( -0.523 -1.469 -0.584) 1.665 21.385 ( 0.848 0.954 1.688) 2.116 21.477 ( -0.283 0.293 -0.538) 0.675 27.449 ( 0.523 0.598 -0.295) 0.848 27.469 ( -0.483 0.979 -0.232) 1.116 27.531 ( -0.154 0.477 0.739) 0.893 27.557 ( 0.196 0.160 -0.515) 0.574 28.476 ( -0.191 0.775 0.537) 0.962 28.488 ( 0.245 0.725 -0.200) 0.791 34.678 ( 2.686 7.970 1.762) 8.593 34.740 ( 4.100 8.313 -0.808) 9.305 35.098 ( -3.581 10.593 3.816) 11.815 35.341 ( -6.634 5.336 -3.308) 9.134 37.678 ( -1.548 13.044 2.730) 13.417 37.777 ( -0.356 14.038 -2.911) 14.341 38.109 ( -0.382 1.419 1.955) 2.446 38.634 ( -10.038 -1.803 -5.404) 11.542 39.646 ( 1.186 3.359 4.288) 5.575 40.050 ( -0.522 1.463 -10.118) 10.236 42.318 ( 10.448 -12.802 -0.423) 16.529 42.444 ( -6.444 -12.798 4.377) 14.982 ======================= Grid point 88 (36/90) ======================= q-point: (-0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -11.041 10.068 -3.081) 15.256 1.240 ( 6.308 7.655 6.209) 11.702 1.570 ( -8.874 8.651 -3.745) 12.947 1.642 ( -6.216 14.171 -1.114) 15.514 1.766 ( -7.400 -1.824 -0.196) 7.624 1.860 ( -1.177 7.776 -3.949) 8.801 1.918 ( 5.443 2.165 -4.077) 7.137 2.018 ( -4.755 5.359 -2.325) 7.532 2.089 ( 0.718 5.594 -10.619) 12.024 2.170 ( 1.233 1.178 -0.129) 1.710 2.404 ( -9.672 8.637 -2.767) 13.259 2.517 ( 7.330 4.015 2.095) 8.616 2.692 ( 1.262 10.228 5.506) 11.684 2.825 ( -3.209 5.618 -1.163) 6.573 3.003 ( 2.478 -1.796 9.082) 9.583 3.124 ( -0.911 -5.811 3.212) 6.702 3.288 ( -1.220 -2.060 -0.056) 2.395 3.356 ( 2.582 -4.979 -0.758) 5.660 3.360 ( -0.206 1.436 4.335) 4.571 3.529 ( -3.293 -3.657 -4.235) 6.492 3.660 ( -0.847 2.575 1.360) 3.033 3.771 ( 8.814 -8.855 0.484) 12.503 3.872 ( -3.883 5.693 2.665) 7.389 4.017 ( 4.153 -0.539 -2.559) 4.908 4.098 ( -7.320 -3.963 -2.041) 8.571 4.166 ( 4.583 -1.805 2.544) 5.543 4.387 ( 1.783 -1.230 3.846) 4.414 4.509 ( -1.495 2.252 -3.438) 4.373 4.659 ( -1.192 4.378 -3.320) 5.622 4.785 ( -0.651 8.179 -3.993) 9.125 4.911 ( -1.477 0.216 0.739) 1.666 5.013 ( 1.568 4.775 -1.497) 5.244 5.258 ( 1.939 1.236 7.070) 7.434 5.357 ( 3.777 -5.165 4.549) 7.851 5.544 ( -0.617 -1.596 3.889) 4.249 5.704 ( -0.931 7.366 -2.709) 7.903 5.993 ( -0.910 -3.542 -2.020) 4.178 6.027 ( -3.780 -0.516 -3.907) 5.461 6.258 ( -0.042 -6.482 1.830) 6.735 6.375 ( 5.798 -0.710 0.924) 5.914 6.466 ( 1.575 -4.613 3.754) 6.152 6.608 ( 2.799 -7.577 -0.708) 8.109 6.982 ( -6.279 1.198 -0.381) 6.403 7.146 ( 4.541 -0.369 -0.906) 4.645 8.012 ( -10.299 3.029 -2.191) 10.956 8.291 ( 3.367 -0.898 -5.259) 6.309 8.658 ( -4.418 4.888 0.872) 6.646 8.762 ( 9.177 7.364 2.951) 12.130 9.993 ( -0.645 0.265 1.368) 1.535 10.088 ( 0.555 0.311 -2.771) 2.844 10.217 ( 0.367 1.595 2.421) 2.922 10.279 ( 0.326 1.064 -0.876) 1.416 11.418 ( 4.675 0.614 4.141) 6.276 11.530 ( -3.235 3.266 -5.993) 7.553 11.838 ( 2.038 5.964 1.714) 6.531 11.872 ( 0.917 7.918 0.135) 7.972 12.367 ( -0.208 2.208 2.969) 3.705 12.611 ( -0.030 1.650 -6.546) 6.751 13.022 ( -2.398 0.825 8.603) 8.969 13.424 ( -4.297 -4.546 -3.996) 7.423 13.527 ( -1.671 -5.027 -1.762) 5.583 13.657 ( 5.238 -0.479 -7.970) 9.549 14.078 ( -0.616 -5.227 7.090) 8.830 14.231 ( -0.429 -7.063 -0.933) 7.137 14.360 ( -2.045 -5.895 0.550) 6.263 14.427 ( 2.367 -3.744 -0.330) 4.442 17.667 ( -1.499 -3.229 -0.059) 3.561 17.717 ( 1.990 -3.370 -0.639) 3.966 17.893 ( -1.871 3.905 1.094) 4.466 17.958 ( 1.557 5.196 -0.372) 5.437 19.654 ( -0.422 0.871 0.053) 0.969 19.691 ( 0.321 0.218 -1.328) 1.383 19.781 ( 0.143 -1.751 1.938) 2.616 19.858 ( 0.171 -3.103 -1.595) 3.493 19.949 ( -0.337 -1.283 2.054) 2.445 19.997 ( -1.174 -1.198 -1.544) 2.280 20.070 ( 0.255 -3.480 0.943) 3.615 20.097 ( 0.273 -4.271 -0.187) 4.284 20.216 ( -1.593 -0.416 1.659) 2.338 20.438 ( 2.880 -3.753 -3.309) 5.773 21.068 ( 0.330 -3.742 2.960) 4.783 21.144 ( 0.355 -0.727 -0.832) 1.160 21.394 ( -0.201 0.900 2.312) 2.490 21.464 ( -0.707 0.657 -1.090) 1.456 27.458 ( -0.415 0.929 -0.629) 1.196 27.459 ( 0.313 0.395 0.080) 0.510 27.527 ( -0.320 0.623 0.664) 0.965 27.555 ( -0.225 0.441 -0.415) 0.647 28.474 ( -0.081 0.576 0.418) 0.717 28.492 ( 0.170 0.810 -0.079) 0.832 34.678 ( -2.838 8.181 1.618) 8.809 34.751 ( -3.296 8.270 -0.707) 8.931 35.102 ( 3.166 8.340 4.532) 10.006 35.320 ( 6.081 8.939 -3.963) 11.515 37.650 ( -0.991 12.083 1.877) 12.268 37.793 ( 1.993 13.783 -2.098) 14.084 38.267 ( 14.185 0.901 8.607) 16.616 38.466 ( -5.616 -0.084 -12.177) 13.410 39.684 ( 1.791 3.216 5.741) 6.820 40.013 ( -1.695 1.467 -11.678) 11.892 42.254 ( -11.718 -12.218 1.283) 16.977 42.445 ( 0.578 -11.807 2.963) 12.187 ======================= Grid point 89 (37/90) ======================= q-point: (-0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -14.891 12.123 -3.383) 19.498 1.217 ( -18.508 16.179 -1.625) 24.636 1.273 ( -8.341 5.870 -8.651) 13.374 1.544 ( -5.609 0.271 2.195) 6.030 1.674 ( -5.659 0.920 -0.931) 5.808 1.746 ( -4.084 3.088 -2.334) 5.627 1.836 ( -3.437 6.523 1.226) 7.474 1.962 ( -4.995 19.376 -2.956) 20.227 2.106 ( 0.551 -5.402 -4.033) 6.764 2.193 ( 1.225 17.869 -0.973) 17.938 2.385 ( 6.357 7.699 4.846) 11.098 2.621 ( -1.523 -1.526 3.189) 3.849 2.681 ( 0.271 9.890 0.826) 9.928 2.769 ( 0.658 2.604 4.075) 4.881 3.002 ( -3.047 -3.801 0.268) 4.879 3.185 ( 0.452 -2.304 -0.055) 2.349 3.258 ( -1.121 2.197 -3.491) 4.275 3.328 ( 3.672 -0.620 3.096) 4.843 3.397 ( 0.667 -2.381 3.218) 4.058 3.509 ( -0.357 1.160 4.812) 4.962 3.648 ( -2.080 7.665 1.836) 8.152 3.801 ( -0.730 1.789 -1.977) 2.765 3.897 ( 0.997 -4.116 -3.761) 5.664 4.020 ( 0.353 -8.510 -2.000) 8.749 4.071 ( 1.958 -3.417 -2.921) 4.904 4.262 ( 4.246 1.247 5.079) 6.736 4.419 ( -0.392 -1.606 -5.716) 5.950 4.467 ( 0.589 0.823 1.268) 1.622 4.638 ( -2.148 1.828 -1.008) 2.996 4.729 ( -3.919 5.599 -3.492) 7.675 4.870 ( -0.969 -0.177 0.292) 1.027 5.032 ( -2.038 9.636 -0.674) 9.872 5.291 ( -0.619 0.094 7.291) 7.318 5.387 ( 0.236 -6.481 -1.777) 6.724 5.523 ( -0.288 -3.299 1.432) 3.608 5.706 ( 0.516 -1.143 0.594) 1.388 5.912 ( -2.048 0.984 -1.347) 2.641 6.018 ( -0.998 2.427 1.610) 3.079 6.305 ( 3.630 -6.571 0.883) 7.559 6.500 ( 4.759 -4.747 3.476) 7.568 6.521 ( 4.284 0.089 -1.033) 4.408 6.735 ( 6.883 -7.164 0.929) 9.978 6.871 ( -1.661 3.489 -2.014) 4.357 7.184 ( -0.990 -2.104 0.187) 2.333 7.876 ( -2.960 3.608 2.220) 5.168 8.270 ( -4.080 3.078 -0.057) 5.111 8.575 ( -1.678 5.723 -7.952) 9.940 8.972 ( 8.279 1.575 4.173) 9.404 9.983 ( -0.321 0.073 2.493) 2.515 10.102 ( 0.935 -0.403 -2.615) 2.806 10.229 ( 0.792 1.306 1.626) 2.231 10.290 ( 0.647 1.819 -0.948) 2.151 11.446 ( -2.278 1.985 -4.671) 5.563 11.553 ( 5.536 -1.107 2.654) 6.238 11.862 ( 1.156 6.347 1.748) 6.684 11.974 ( 7.666 11.136 1.130) 13.567 12.378 ( 0.923 1.556 1.473) 2.333 12.569 ( -2.969 1.740 -3.942) 5.233 12.986 ( -2.127 -1.318 5.089) 5.671 13.308 ( -5.480 -2.681 -2.926) 6.766 13.477 ( -3.319 -2.949 -2.435) 5.063 13.755 ( 4.742 -1.417 -6.446) 8.127 14.070 ( -1.400 -7.040 4.602) 8.526 14.216 ( -0.439 -3.271 1.012) 3.452 14.315 ( -2.582 -9.315 -0.321) 9.671 14.453 ( 0.296 -2.814 -1.064) 3.023 17.640 ( -1.032 -1.762 0.198) 2.051 17.768 ( 2.863 -3.506 -0.510) 4.555 17.842 ( -2.575 2.336 -0.199) 3.482 17.986 ( 0.692 4.709 0.152) 4.762 19.649 ( 0.048 0.243 0.103) 0.269 19.699 ( 0.494 1.099 -0.872) 1.488 19.780 ( -0.312 -2.915 0.320) 2.949 19.855 ( -0.274 -1.809 -0.707) 1.961 19.926 ( -2.164 -2.191 2.393) 3.900 19.970 ( -1.411 0.212 -1.222) 1.879 20.073 ( -0.122 -3.753 0.610) 3.804 20.094 ( -0.727 -4.217 0.021) 4.279 20.218 ( 2.019 -0.377 -1.197) 2.377 20.481 ( 1.384 -4.948 -1.421) 5.331 21.072 ( -0.122 -3.993 1.886) 4.418 21.169 ( 1.972 -1.300 0.121) 2.365 21.381 ( -1.317 -0.023 1.854) 2.274 21.450 ( -0.554 0.992 0.408) 1.207 27.445 ( -0.718 0.672 -0.926) 1.351 27.465 ( 0.059 0.026 0.471) 0.476 27.521 ( -0.303 0.972 0.382) 1.087 27.549 ( -0.321 0.807 -0.157) 0.883 28.473 ( -0.057 0.410 0.238) 0.477 28.495 ( 0.141 0.926 0.093) 0.941 34.597 ( -4.372 7.153 0.836) 8.424 34.644 ( -5.803 6.917 -0.543) 9.045 35.205 ( 5.507 8.390 5.579) 11.483 35.579 ( 19.642 19.043 -2.428) 27.465 37.653 ( 1.486 14.590 2.357) 14.853 37.862 ( 5.540 16.415 -0.507) 17.332 38.345 ( -4.768 2.380 -16.641) 17.474 38.678 ( 23.056 -0.766 9.130) 24.810 39.737 ( 3.172 2.557 5.777) 7.069 39.963 ( -1.423 1.416 -12.378) 12.540 41.931 ( -20.378 -13.516 -4.006) 24.779 42.336 ( -12.629 -11.442 7.100) 18.461 ======================= Grid point 90 (38/90) ======================= q-point: (-0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 1.445 14.295 18.277) 23.249 0.781 ( -18.833 12.249 4.944) 23.003 1.163 ( -1.885 6.873 -13.917) 15.635 1.372 ( -13.971 25.357 6.341) 29.637 1.442 ( -3.998 6.731 0.705) 7.861 1.712 ( -4.652 10.319 -10.669) 15.555 1.827 ( 0.317 -1.653 0.837) 1.880 1.977 ( -6.072 4.376 0.343) 7.493 2.014 ( 3.586 3.358 6.842) 8.423 2.253 ( 2.477 14.762 -6.806) 16.443 2.447 ( -1.713 15.452 11.156) 19.136 2.552 ( -2.432 -2.008 -0.392) 3.178 2.754 ( 4.848 -1.766 2.423) 5.700 2.840 ( 3.139 4.596 4.808) 7.354 2.968 ( -0.177 3.075 1.735) 3.536 3.128 ( -8.522 -1.115 -8.204) 11.881 3.169 ( 1.126 3.289 -7.460) 8.230 3.350 ( -4.246 1.202 -2.661) 5.153 3.466 ( 1.951 1.036 5.902) 6.302 3.510 ( -0.407 -1.560 5.947) 6.162 3.627 ( 0.377 3.645 0.437) 3.690 3.746 ( -2.838 -2.984 -7.430) 8.495 3.929 ( 2.811 -4.133 -1.058) 5.109 4.027 ( -0.279 -6.562 -1.977) 6.859 4.118 ( 3.225 -1.392 -1.940) 4.013 4.348 ( 2.371 2.317 3.995) 5.191 4.422 ( 1.317 0.110 -6.037) 6.180 4.478 ( -0.029 5.673 1.627) 5.901 4.574 ( -2.247 -0.305 -2.132) 3.112 4.635 ( -4.325 3.371 -2.610) 6.073 4.869 ( 0.325 -0.029 1.909) 1.937 4.971 ( -1.197 12.643 -0.007) 12.700 5.232 ( -4.602 -3.031 1.790) 5.794 5.374 ( -2.354 -1.703 -0.743) 2.999 5.549 ( 1.553 -7.494 2.802) 8.150 5.700 ( -0.727 -8.046 -0.923) 8.132 5.912 ( 0.555 0.592 -0.668) 1.051 5.977 ( -3.242 -2.153 3.480) 5.221 6.369 ( 2.113 -2.949 1.511) 3.930 6.578 ( 2.010 -2.735 -1.114) 3.572 6.606 ( 4.490 -1.425 4.532) 6.537 6.791 ( 1.760 -2.819 0.185) 3.328 7.018 ( 11.098 7.065 -3.403) 13.589 7.142 ( -2.323 -5.291 0.179) 5.781 7.857 ( -0.131 0.814 4.098) 4.180 8.186 ( -3.855 5.932 -2.403) 7.472 8.573 ( 4.275 4.684 2.233) 6.723 9.090 ( 2.713 -0.642 0.934) 2.940 9.990 ( 0.361 -1.653 4.457) 4.768 10.114 ( 0.425 -0.911 -1.627) 1.913 10.261 ( 1.926 0.516 0.652) 2.098 10.305 ( 1.131 1.677 -1.577) 2.565 11.423 ( 1.699 1.349 0.431) 2.212 11.654 ( 3.407 -3.779 1.149) 5.216 11.901 ( 2.013 6.842 5.021) 8.722 12.134 ( 6.266 11.892 -2.084) 13.602 12.412 ( 2.764 2.311 -0.696) 3.670 12.514 ( -1.490 0.361 -0.780) 1.720 12.942 ( -0.981 -0.921 0.595) 1.471 13.229 ( -1.852 2.630 -1.507) 3.552 13.395 ( -3.454 -1.296 -2.271) 4.332 13.797 ( -2.585 -6.546 -7.367) 10.188 14.017 ( -3.366 -7.325 2.673) 8.493 14.212 ( -1.926 -1.376 -1.006) 2.572 14.254 ( -1.788 -7.635 1.753) 8.035 14.441 ( -0.995 -2.032 -2.099) 3.086 17.627 ( -0.257 -0.372 1.080) 1.170 17.784 ( -1.864 -1.493 -2.412) 3.394 17.840 ( 3.085 -0.655 0.550) 3.201 17.980 ( -1.341 2.841 0.027) 3.142 19.655 ( 0.418 -0.262 0.551) 0.739 19.709 ( 0.715 1.786 -0.599) 2.014 19.778 ( 0.318 -3.175 -0.364) 3.212 19.848 ( -0.601 -1.040 0.018) 1.202 19.869 ( -3.064 -2.282 1.473) 4.094 19.936 ( -1.690 1.753 -1.976) 3.136 20.065 ( -0.416 -3.637 -0.045) 3.661 20.081 ( -0.366 -2.643 0.041) 2.668 20.281 ( 3.734 -1.716 -1.642) 4.426 20.466 ( -3.896 -7.594 0.245) 8.539 21.077 ( 0.585 -2.750 1.832) 3.356 21.212 ( 1.799 -2.646 -0.709) 3.278 21.350 ( -1.601 -0.043 0.554) 1.695 21.424 ( -3.154 -1.207 0.525) 3.417 27.428 ( -0.585 0.493 -0.476) 0.900 27.461 ( -0.472 -0.095 0.237) 0.537 27.517 ( -0.075 1.236 0.234) 1.260 27.544 ( -0.152 1.001 0.085) 1.016 28.473 ( 0.147 0.638 0.041) 0.656 28.496 ( -0.088 1.016 0.100) 1.025 34.521 ( -2.793 6.091 0.199) 6.704 34.539 ( -3.986 6.237 -0.227) 7.405 35.322 ( 4.702 9.577 8.036) 13.357 36.108 ( 27.161 21.714 -16.189) 38.357 37.727 ( 4.215 20.530 1.353) 21.002 38.107 ( 8.609 30.792 -17.223) 36.316 38.283 ( 21.838 4.057 16.781) 27.839 39.134 ( 16.262 -1.429 7.129) 17.814 39.872 ( 10.179 -0.889 1.957) 10.404 39.947 ( 2.593 1.771 -9.170) 9.692 41.378 ( -31.998 -11.444 -4.470) 34.276 41.908 ( -29.601 -10.440 7.157) 32.194 ======================= Grid point 91 (39/90) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -1.548 20.381 4.224) 20.871 1.212 ( 17.927 16.650 25.530) 35.361 1.311 ( 1.485 10.348 -12.157) 16.033 1.534 ( -6.094 0.880 2.062) 6.493 1.564 ( 3.989 2.349 0.554) 4.663 1.786 ( 0.551 14.097 5.366) 15.094 1.937 ( -2.291 4.252 -3.824) 6.161 2.124 ( 5.817 18.504 5.320) 20.113 2.346 ( -2.154 10.078 4.042) 11.070 2.513 ( -0.812 14.757 -8.160) 16.882 2.628 ( -4.680 3.881 2.459) 6.559 2.680 ( -3.374 12.156 -3.026) 12.974 2.788 ( 1.347 2.115 -2.198) 3.335 2.966 ( -3.803 7.535 -7.859) 11.533 3.000 ( -1.499 6.056 0.344) 6.248 3.080 ( -0.363 6.170 0.156) 6.183 3.302 ( 1.177 5.800 -4.211) 7.263 3.388 ( 0.114 3.363 0.770) 3.452 3.478 ( -1.951 7.597 1.622) 8.010 3.546 ( -3.990 7.858 2.091) 9.058 3.668 ( -1.428 2.496 -3.183) 4.289 3.764 ( 4.095 5.725 -3.318) 7.782 3.896 ( -0.778 -1.816 2.380) 3.094 4.050 ( 5.319 1.259 3.237) 6.352 4.210 ( 3.976 3.618 0.102) 5.377 4.340 ( -2.179 -2.285 0.453) 3.190 4.370 ( -2.371 -2.086 -0.800) 3.258 4.506 ( -1.867 0.333 -1.089) 2.187 4.586 ( 1.009 1.398 1.310) 2.165 4.706 ( 0.729 2.305 -2.539) 3.506 4.880 ( 0.390 -2.714 0.727) 2.837 4.968 ( -1.666 -8.014 -4.509) 9.345 5.176 ( 2.503 0.490 3.079) 3.998 5.355 ( -3.981 5.829 -4.172) 8.200 5.462 ( 1.038 -3.989 4.543) 6.134 5.632 ( 0.429 3.799 -2.905) 4.802 5.823 ( -3.107 -1.866 3.314) 4.912 5.926 ( 2.195 -1.254 1.517) 2.948 6.338 ( 1.883 -6.621 2.820) 7.438 6.454 ( -2.787 -6.926 -1.665) 7.649 6.622 ( 1.012 -3.159 5.688) 6.584 6.860 ( 7.053 -4.823 -2.389) 8.872 6.949 ( -6.927 -4.898 2.459) 8.833 7.137 ( -0.063 -1.398 -6.707) 6.851 7.926 ( 2.276 6.578 6.296) 9.385 8.234 ( -4.473 7.929 -6.764) 11.341 8.789 ( 6.617 1.119 6.807) 9.559 9.025 ( -2.782 -3.072 -4.022) 5.775 9.976 ( -0.583 0.763 3.800) 3.920 10.103 ( 0.628 -0.751 -1.160) 1.518 10.272 ( -0.292 -0.636 -0.217) 0.733 10.308 ( -0.124 -1.704 -1.341) 2.172 11.501 ( 2.026 -0.045 3.218) 3.803 11.617 ( 0.404 -1.753 -2.101) 2.766 12.044 ( 0.106 4.834 5.590) 7.391 12.198 ( 0.211 -2.725 -0.584) 2.795 12.479 ( -1.310 2.774 0.018) 3.068 12.590 ( 1.690 5.464 -4.670) 7.384 13.093 ( 0.018 -0.483 2.319) 2.369 13.276 ( 1.891 -5.795 -5.721) 8.359 13.328 ( 2.018 -0.363 1.823) 2.743 13.438 ( -4.721 -0.900 -2.528) 5.430 13.929 ( 1.162 -4.849 2.041) 5.388 14.036 ( -0.486 -6.652 -2.151) 7.008 14.239 ( -0.728 -1.119 2.058) 2.452 14.355 ( -0.177 -4.801 -1.710) 5.100 17.627 ( 0.012 -0.609 1.477) 1.598 17.721 ( 0.109 -1.704 -2.709) 3.202 17.893 ( -0.408 0.093 1.888) 1.934 17.964 ( 0.211 0.875 -1.268) 1.555 19.659 ( 1.442 -1.544 1.602) 2.652 19.703 ( -0.423 -4.346 -0.471) 4.392 19.715 ( -0.231 -4.728 0.129) 4.735 19.770 ( -0.088 0.504 -1.741) 1.815 19.881 ( 0.312 0.892 0.925) 1.322 19.923 ( -0.526 -1.496 -1.171) 1.971 19.999 ( 0.303 -2.724 0.468) 2.781 20.038 ( 0.372 -0.395 -2.007) 2.079 20.252 ( -3.885 -1.401 3.183) 5.214 20.309 ( 1.399 -1.740 -0.254) 2.247 21.079 ( 1.129 -0.535 1.985) 2.346 21.164 ( -1.210 -2.781 -1.526) 3.395 21.333 ( -1.427 0.141 0.533) 1.530 21.364 ( 0.892 0.864 -0.586) 1.373 27.435 ( 0.402 0.256 0.307) 0.567 27.451 ( -0.190 -0.082 -0.329) 0.389 27.536 ( 0.008 0.772 0.778) 1.096 27.562 ( -0.057 0.943 -0.367) 1.013 28.503 ( 0.226 1.226 0.283) 1.278 28.518 ( -0.218 1.435 -0.337) 1.490 34.648 ( 0.230 9.666 0.321) 9.674 34.658 ( -0.412 9.891 -0.093) 9.900 35.711 ( 2.022 17.733 9.336) 20.142 36.374 ( -7.153 3.460 -19.129) 20.714 38.198 ( -1.765 18.097 -2.477) 18.351 38.299 ( -1.609 14.325 -3.504) 14.835 39.228 ( -4.775 -3.381 3.433) 6.784 39.340 ( 12.704 -3.395 0.816) 13.175 39.940 ( -3.484 -4.120 2.247) 5.844 40.080 ( 4.756 1.998 -4.428) 6.798 40.890 ( 8.104 -9.962 9.369) 15.897 41.183 ( -1.969 -11.484 -4.098) 12.351 ======================= Grid point 92 (40/90) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 8.164 18.029 2.077) 19.900 1.345 ( 3.738 4.708 -7.637) 9.719 1.479 ( 2.939 5.038 -4.527) 7.383 1.625 ( 10.085 8.744 13.594) 19.052 1.675 ( 2.971 3.085 3.917) 5.804 1.766 ( 0.603 5.436 -4.740) 7.237 1.964 ( 8.051 5.298 12.043) 15.425 2.157 ( -2.197 11.726 -4.998) 12.934 2.257 ( -4.731 13.946 2.300) 14.905 2.472 ( 0.243 14.273 -10.464) 17.700 2.551 ( -0.249 6.959 6.971) 9.853 2.659 ( -4.046 6.293 1.839) 7.704 2.769 ( -2.379 2.188 -2.747) 4.242 2.864 ( -1.883 10.887 -1.987) 11.226 2.987 ( -2.314 5.029 -0.007) 5.536 3.076 ( 0.564 11.463 -2.755) 11.803 3.329 ( -1.600 4.525 -2.302) 5.323 3.390 ( -2.138 5.192 -4.963) 7.494 3.410 ( 1.225 2.543 6.746) 7.313 3.530 ( 1.547 9.382 4.795) 10.649 3.664 ( 0.516 1.177 -1.647) 2.090 3.784 ( -1.186 -0.679 -1.582) 2.091 3.921 ( 1.704 2.969 -2.462) 4.217 4.070 ( -3.443 0.746 0.685) 3.589 4.161 ( -7.622 1.302 -1.551) 7.886 4.341 ( 1.148 3.411 1.843) 4.044 4.425 ( 5.083 -6.002 2.590) 8.280 4.451 ( 0.308 1.735 -2.477) 3.040 4.577 ( -0.307 1.994 -0.142) 2.022 4.756 ( 2.497 0.257 1.009) 2.706 4.894 ( 2.021 -5.287 -3.773) 6.803 4.991 ( 2.782 -5.803 0.138) 6.437 5.154 ( -4.108 7.430 -1.729) 8.665 5.328 ( 0.611 1.070 -1.243) 1.750 5.480 ( 0.148 -5.563 6.115) 8.268 5.655 ( 2.889 5.959 -1.688) 6.834 5.850 ( 3.700 -0.242 -0.713) 3.776 6.009 ( 5.544 -0.270 2.535) 6.102 6.323 ( -5.157 -8.258 1.227) 9.813 6.381 ( -1.743 -5.722 0.441) 5.998 6.638 ( -0.311 -1.744 3.636) 4.044 6.741 ( -11.884 -7.109 -0.335) 13.852 6.935 ( -1.829 -1.302 -3.859) 4.465 7.115 ( 1.278 -1.224 -0.557) 1.856 8.006 ( 3.480 6.434 5.688) 9.266 8.217 ( 4.471 7.781 -3.345) 9.577 8.814 ( -6.169 -1.775 -0.646) 6.451 9.004 ( 2.025 -0.205 -0.674) 2.144 9.976 ( 0.304 1.120 3.092) 3.303 10.117 ( 0.920 -0.068 -1.309) 1.602 10.252 ( -1.730 -0.704 0.290) 1.890 10.304 ( -0.130 -1.153 -1.161) 1.641 11.478 ( -3.664 -1.173 -0.258) 3.856 11.652 ( 2.207 0.423 -0.940) 2.436 12.026 ( -2.011 5.673 4.458) 7.490 12.229 ( 0.384 -3.518 0.461) 3.569 12.494 ( 1.912 2.636 -2.459) 4.081 12.570 ( -2.200 6.295 -1.247) 6.784 12.957 ( -4.928 0.621 0.206) 4.971 13.292 ( -0.108 -2.744 0.523) 2.796 13.394 ( 1.989 -2.901 3.197) 4.753 13.513 ( 7.261 -4.843 -8.224) 11.992 13.962 ( 1.767 -5.923 1.998) 6.496 14.034 ( 0.681 -5.610 -1.738) 5.912 14.195 ( -3.007 -2.671 2.589) 4.783 14.351 ( -0.215 -4.697 -1.474) 4.928 17.614 ( -1.004 -1.709 0.748) 2.118 17.732 ( -0.024 -2.636 -1.829) 3.209 17.848 ( -0.805 2.172 0.713) 2.423 18.028 ( 3.444 1.440 -0.184) 3.738 19.674 ( -1.243 -3.292 0.074) 3.520 19.689 ( 0.355 -3.625 -0.222) 3.649 19.706 ( 0.138 -1.790 0.034) 1.796 19.805 ( 1.718 -2.603 -0.122) 3.121 19.853 ( -1.281 0.083 0.366) 1.335 19.943 ( 1.654 -1.315 -0.582) 2.192 20.000 ( -0.306 -2.584 0.152) 2.606 20.036 ( -0.154 -1.360 -1.447) 1.992 20.211 ( 0.128 0.804 0.665) 1.051 20.326 ( -0.234 -2.028 1.426) 2.490 21.070 ( -1.790 0.058 2.002) 2.687 21.138 ( -0.847 -2.452 -1.344) 2.922 21.333 ( 1.163 0.239 0.487) 1.284 21.410 ( 2.905 -0.057 -0.069) 2.907 27.445 ( 0.300 0.440 -0.219) 0.576 27.459 ( 0.995 -0.596 0.138) 1.168 27.538 ( 0.111 0.606 0.739) 0.962 27.562 ( 0.079 1.185 -0.424) 1.261 28.501 ( -0.233 1.188 0.061) 1.212 28.514 ( -0.185 1.459 -0.026) 1.470 34.678 ( 3.086 9.499 0.043) 9.988 34.704 ( 4.208 10.480 0.313) 11.298 35.702 ( -4.445 17.780 10.624) 21.184 36.072 ( -17.137 9.868 -14.937) 24.782 38.123 ( -4.732 18.003 1.143) 18.649 38.253 ( -2.422 17.995 -2.643) 18.349 38.872 ( -26.555 -1.226 -3.944) 26.874 39.167 ( -18.458 -4.750 5.203) 19.757 39.787 ( -5.787 3.292 -0.147) 6.659 40.101 ( -0.057 3.763 -4.461) 5.837 41.221 ( 21.923 -18.027 0.009) 28.383 41.674 ( 28.557 -24.153 2.387) 37.478 ======================= Grid point 93 (41/90) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 10.819 11.708 -0.289) 15.944 1.366 ( -4.918 11.318 -7.738) 14.565 1.503 ( 6.945 -6.934 -6.564) 11.807 1.707 ( 6.229 1.196 -1.301) 6.475 1.826 ( 5.099 0.224 3.229) 6.040 1.831 ( 3.321 3.695 0.310) 4.977 2.048 ( -1.964 12.099 -6.659) 13.949 2.134 ( -0.900 3.783 -2.816) 4.801 2.271 ( -0.620 6.100 7.451) 9.650 2.484 ( 3.550 12.648 -5.812) 14.365 2.590 ( -0.838 6.458 6.770) 9.394 2.632 ( 9.263 10.931 11.433) 18.330 2.703 ( -4.079 8.773 -3.304) 10.223 2.853 ( 1.496 5.658 3.159) 6.651 2.938 ( -1.193 4.536 0.586) 4.726 3.090 ( -0.212 6.475 -1.488) 6.647 3.240 ( -4.359 6.915 -4.652) 9.405 3.354 ( -1.312 3.505 -0.936) 3.858 3.473 ( 0.181 -2.204 6.040) 6.432 3.600 ( 2.206 8.991 4.431) 10.264 3.629 ( -2.509 -5.238 -2.672) 6.393 3.734 ( -2.462 -3.972 0.194) 4.677 3.864 ( -6.616 8.055 -2.781) 10.788 3.989 ( -3.696 1.998 -0.076) 4.202 4.049 ( -0.560 -0.630 -2.482) 2.621 4.328 ( -1.983 -2.389 0.825) 3.213 4.418 ( -2.304 -2.469 -1.012) 3.526 4.555 ( 3.678 1.198 0.603) 3.915 4.650 ( 7.310 1.803 -0.910) 7.583 4.804 ( 2.183 2.759 2.355) 4.233 4.945 ( 2.395 1.902 -2.915) 4.225 5.020 ( 0.237 -9.397 -2.651) 9.766 5.131 ( 2.769 6.306 0.596) 6.913 5.297 ( -2.750 0.489 -0.516) 2.841 5.513 ( 2.081 -0.015 7.380) 7.668 5.717 ( 2.600 1.945 -2.722) 4.237 5.913 ( 1.146 -0.500 -0.985) 1.592 6.132 ( 5.156 4.465 0.972) 6.889 6.194 ( -4.856 -8.294 -0.565) 9.627 6.362 ( -1.678 -2.401 3.470) 4.541 6.479 ( -9.582 -3.484 0.192) 10.197 6.633 ( -3.894 -3.543 0.270) 5.272 6.876 ( 0.572 -0.335 -1.506) 1.646 7.154 ( 0.545 -3.252 -0.114) 3.299 8.070 ( 3.014 2.867 1.171) 4.322 8.349 ( 4.297 5.266 0.967) 6.865 8.656 ( -4.930 4.447 -3.873) 7.687 9.024 ( -0.879 3.455 0.680) 3.629 9.992 ( 0.725 0.829 2.127) 2.396 10.130 ( 0.148 0.677 -3.129) 3.205 10.212 ( -1.429 -0.732 2.040) 2.596 10.301 ( -0.115 -0.173 -0.587) 0.623 11.408 ( -2.371 1.128 -0.280) 2.640 11.677 ( 0.496 2.189 -2.424) 3.304 11.981 ( -2.641 4.933 3.070) 6.382 12.163 ( -5.623 4.197 -0.439) 7.030 12.478 ( -1.908 5.555 2.029) 6.215 12.591 ( 2.975 2.439 -3.676) 5.321 12.972 ( 4.516 -2.183 1.623) 5.272 13.302 ( 0.288 -3.691 1.832) 4.131 13.422 ( 1.082 -3.426 0.570) 3.638 13.585 ( 0.812 -6.238 -8.040) 10.209 13.989 ( 0.418 -5.897 1.668) 6.142 14.057 ( 0.515 -6.299 1.375) 6.468 14.163 ( 0.955 -5.828 1.186) 6.024 14.336 ( -1.279 -5.707 -1.072) 5.946 17.599 ( -0.360 -2.655 0.269) 2.692 17.693 ( -2.638 -3.833 -0.933) 4.746 17.892 ( 3.835 4.275 0.530) 5.767 18.072 ( 0.677 3.110 -0.078) 3.184 19.658 ( -0.344 -3.475 -0.125) 3.495 19.690 ( 0.555 -2.961 -1.313) 3.287 19.707 ( -0.568 -0.885 0.362) 1.112 19.795 ( -1.104 -2.233 0.877) 2.641 19.880 ( 2.151 -2.299 0.745) 3.235 19.971 ( 0.922 -3.115 -0.163) 3.253 19.989 ( -0.651 -2.083 -0.121) 2.186 20.033 ( -0.092 -2.417 -0.770) 2.538 20.237 ( 1.552 -0.363 -0.434) 1.652 20.309 ( -0.912 -1.208 0.568) 1.617 21.037 ( -1.453 -0.471 2.305) 2.765 21.122 ( -0.566 -2.249 -1.262) 2.640 21.366 ( 1.726 0.134 0.778) 1.898 21.459 ( 1.509 -0.926 -0.035) 1.771 27.452 ( 0.348 0.339 -0.178) 0.517 27.478 ( 0.652 -0.206 0.101) 0.691 27.541 ( 0.146 0.511 0.568) 0.778 27.564 ( 0.147 1.143 -0.459) 1.241 28.498 ( -0.057 1.102 0.077) 1.107 28.509 ( -0.215 1.492 0.082) 1.509 34.773 ( 5.648 10.127 0.415) 11.603 34.817 ( 6.529 11.116 0.280) 12.895 35.557 ( -9.861 18.027 6.668) 21.602 35.724 ( -14.404 9.987 -6.468) 18.683 38.033 ( -3.736 17.119 2.632) 17.718 38.199 ( -2.286 16.912 -0.521) 17.073 38.353 ( -19.388 5.381 -6.737) 21.219 38.820 ( -14.450 -4.302 1.979) 15.206 39.730 ( -0.561 5.966 1.835) 6.267 40.108 ( 0.792 3.877 -6.531) 7.637 41.664 ( 19.243 -19.899 -0.462) 27.686 42.057 ( 8.903 -23.707 3.226) 25.528 ======================= Grid point 94 (42/90) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.224 10.431 -1.790) 11.064 1.397 ( 3.649 9.554 0.397) 10.234 1.626 ( 3.438 -1.439 -3.980) 5.452 1.764 ( -0.142 -2.160 1.363) 2.558 1.875 ( -0.519 -3.127 0.326) 3.187 1.897 ( 0.709 1.587 -3.489) 3.898 2.042 ( 3.965 7.269 -3.667) 9.056 2.145 ( -0.479 6.744 -8.054) 10.516 2.165 ( -2.096 4.046 -3.413) 5.694 2.511 ( -8.875 8.217 -8.148) 14.583 2.574 ( 0.380 19.776 3.542) 20.094 2.661 ( 6.788 -0.310 7.906) 10.425 2.835 ( -1.584 9.612 2.737) 10.119 2.939 ( 5.176 15.525 6.798) 17.721 2.996 ( 9.019 -2.929 5.256) 10.842 3.043 ( -4.159 0.075 -4.947) 6.464 3.194 ( 0.932 -5.534 -1.033) 5.707 3.264 ( -5.281 4.859 1.894) 7.422 3.454 ( -0.166 -2.984 3.719) 4.771 3.511 ( -5.233 -2.767 -0.710) 5.962 3.586 ( -3.059 0.041 4.036) 5.065 3.717 ( -4.065 1.607 -4.953) 6.606 3.830 ( 5.916 5.454 4.194) 9.074 3.971 ( 2.048 2.669 -2.073) 3.952 4.079 ( 2.883 0.470 0.159) 2.925 4.256 ( -5.551 -3.034 -2.307) 6.734 4.357 ( -2.535 -2.352 2.574) 4.311 4.593 ( 0.328 3.753 -3.535) 5.166 4.777 ( 2.675 -1.190 2.019) 3.556 4.866 ( 4.375 7.429 -0.130) 8.623 4.951 ( -1.973 -0.140 2.105) 2.889 5.034 ( 1.209 -2.353 -6.509) 7.026 5.212 ( 4.021 -2.106 0.936) 4.635 5.253 ( -1.180 1.221 -0.378) 1.740 5.560 ( 0.880 4.519 8.798) 9.930 5.755 ( 1.655 -1.672 -3.185) 3.960 5.876 ( -2.216 -2.367 -0.103) 3.243 6.124 ( -2.086 -1.573 -4.763) 5.432 6.241 ( 3.992 0.263 0.186) 4.005 6.291 ( -4.580 1.920 3.213) 5.915 6.372 ( -0.995 -2.330 2.860) 3.821 6.538 ( -3.818 -0.627 0.619) 3.919 6.972 ( 6.967 -1.568 -0.518) 7.160 7.111 ( -4.545 -2.833 -0.437) 5.374 8.151 ( 4.780 -0.492 -1.713) 5.102 8.261 ( -8.985 -0.544 -3.178) 9.546 8.721 ( 7.443 11.930 2.761) 14.330 8.971 ( -3.833 7.663 -0.521) 8.584 10.004 ( 0.169 0.425 1.390) 1.464 10.109 ( -1.167 0.501 -3.542) 3.763 10.218 ( 1.142 -0.057 2.809) 3.033 10.294 ( -0.407 0.163 -0.447) 0.626 11.394 ( 0.928 2.384 2.303) 3.443 11.666 ( -1.377 3.508 -4.847) 6.140 11.939 ( -1.227 4.772 2.548) 5.547 12.065 ( -2.962 7.758 -0.891) 8.352 12.445 ( -1.623 4.163 3.586) 5.729 12.643 ( 2.439 3.406 -5.910) 7.244 13.060 ( 1.957 -0.182 5.635) 5.968 13.296 ( -0.268 -8.458 -0.708) 8.492 13.441 ( -0.674 -6.273 1.472) 6.478 13.579 ( 1.583 -1.753 -9.752) 10.034 13.982 ( -1.540 -5.758 5.090) 7.838 14.055 ( 0.150 -7.900 -0.045) 7.901 14.229 ( 3.947 -7.841 0.331) 8.785 14.294 ( -2.437 -6.530 -0.713) 7.007 17.602 ( 0.441 -3.377 0.266) 3.416 17.646 ( -1.589 -3.498 -0.749) 3.914 17.973 ( 3.252 4.569 0.960) 5.690 18.060 ( -1.423 4.242 -0.383) 4.491 19.656 ( 0.205 -3.028 -0.336) 3.054 19.685 ( -1.231 -0.785 -0.418) 1.518 19.720 ( 2.160 -2.711 0.061) 3.467 19.775 ( -1.092 -3.655 0.507) 3.848 19.916 ( 1.087 -2.024 0.898) 2.466 19.966 ( -0.942 -3.722 -0.507) 3.873 19.988 ( 0.214 -2.513 0.511) 2.574 20.029 ( -0.134 -2.385 -0.878) 2.544 20.235 ( -1.557 -0.921 2.697) 3.247 20.326 ( 2.445 -1.317 -3.422) 4.407 21.015 ( -1.076 -1.691 3.033) 3.635 21.115 ( 0.120 -1.775 -1.655) 2.430 21.398 ( 1.057 0.155 1.216) 1.618 21.471 ( -0.122 -0.960 -0.608) 1.143 27.459 ( 0.317 0.257 0.157) 0.437 27.483 ( -0.135 0.291 -0.224) 0.391 27.546 ( 0.113 0.924 0.446) 1.032 27.565 ( 0.059 0.670 -0.464) 0.818 28.497 ( -0.172 1.209 0.423) 1.292 28.508 ( 0.121 1.281 -0.230) 1.307 34.884 ( 4.018 11.704 1.424) 12.456 34.950 ( 5.000 11.806 -0.151) 12.822 35.375 ( -6.655 15.864 2.809) 17.431 35.486 ( -6.889 8.825 -2.886) 11.562 37.979 ( -2.364 15.580 2.368) 15.936 38.112 ( -3.562 11.173 -3.381) 12.205 38.177 ( 0.847 11.778 2.650) 12.102 38.585 ( -8.303 -2.963 -3.996) 9.679 39.745 ( 1.269 6.439 3.788) 7.578 40.102 ( -0.634 3.909 -8.254) 9.155 41.974 ( 10.007 -20.298 1.622) 22.689 42.110 ( -2.461 -19.643 1.742) 19.873 ======================= Grid point 95 (43/90) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.649 15.232 -2.375) 17.210 1.439 ( 8.357 10.663 4.773) 14.364 1.616 ( -5.361 1.375 -5.494) 7.799 1.736 ( -4.431 -0.425 2.131) 4.935 1.822 ( -2.721 -2.351 0.961) 3.722 1.869 ( -1.002 -2.176 -1.737) 2.960 1.980 ( -18.790 4.567 -17.008) 25.753 2.116 ( 2.584 12.083 -6.841) 14.123 2.186 ( 4.840 1.978 1.791) 5.527 2.399 ( 4.985 5.981 -0.328) 7.793 2.572 ( -5.656 8.716 4.908) 11.491 2.735 ( 0.200 6.841 4.543) 8.215 2.853 ( 5.129 7.864 2.803) 9.799 2.879 ( -7.062 3.190 -3.153) 8.366 2.995 ( -4.073 -4.415 2.044) 6.345 3.135 ( 8.352 12.511 8.266) 17.164 3.250 ( 7.039 -1.889 -1.287) 7.401 3.323 ( 1.282 8.327 -1.093) 8.496 3.411 ( -4.017 -0.056 0.285) 4.027 3.472 ( 2.580 -3.187 2.622) 4.867 3.601 ( 4.129 -3.576 2.842) 6.157 3.698 ( 2.956 -0.411 -3.902) 4.913 3.930 ( 3.349 1.862 1.835) 4.248 4.020 ( 1.048 4.118 -2.172) 4.773 4.081 ( -7.769 1.505 3.356) 8.595 4.176 ( 4.038 0.772 -2.831) 4.992 4.345 ( 0.933 -2.555 2.459) 3.666 4.565 ( -2.579 1.688 -4.831) 5.731 4.744 ( -4.969 2.983 0.823) 5.853 4.881 ( -3.802 -0.918 2.681) 4.742 4.975 ( 3.974 2.847 -1.166) 5.026 5.026 ( -1.208 0.077 -2.448) 2.731 5.229 ( -0.507 -2.748 -1.274) 3.071 5.294 ( 3.156 -1.198 -0.548) 3.420 5.552 ( -2.225 0.106 8.153) 8.452 5.767 ( -0.741 0.629 -2.527) 2.708 5.912 ( 4.943 -4.656 2.469) 7.225 6.044 ( -4.115 2.644 -5.915) 7.675 6.204 ( -3.038 1.178 1.103) 3.440 6.336 ( 4.622 -2.717 1.316) 5.520 6.425 ( 3.782 0.131 3.939) 5.462 6.504 ( 1.568 0.847 -0.436) 1.835 6.986 ( -6.014 -0.952 -0.540) 6.113 7.100 ( 3.938 -3.300 -0.486) 5.161 8.075 ( -7.026 2.928 -1.510) 7.760 8.263 ( 4.932 -1.747 -2.991) 6.027 8.793 ( -3.217 8.257 2.892) 9.322 8.945 ( 3.639 9.987 -1.035) 10.680 10.002 ( -0.496 0.430 1.437) 1.580 10.091 ( -0.183 -0.123 -2.837) 2.845 10.239 ( 0.288 0.335 2.119) 2.165 10.296 ( 0.790 0.235 -0.512) 0.970 11.441 ( 2.712 1.586 4.281) 5.310 11.611 ( -2.837 4.346 -6.729) 8.497 11.948 ( 1.323 4.551 2.669) 5.439 12.056 ( 2.683 8.584 -1.150) 9.067 12.422 ( -0.897 3.144 3.005) 4.441 12.666 ( 0.127 3.845 -5.567) 6.767 13.038 ( -3.992 0.282 5.661) 6.933 13.302 ( -0.183 -7.232 -0.574) 7.257 13.397 ( -1.928 -7.313 -0.521) 7.581 13.643 ( 4.642 -0.766 -8.473) 9.691 13.946 ( -2.342 -7.167 5.440) 9.298 14.072 ( 1.343 -7.661 0.320) 7.785 14.221 ( -3.404 -7.646 0.217) 8.373 14.314 ( 3.056 -7.114 -0.486) 7.758 17.602 ( -0.488 -3.252 0.292) 3.301 17.645 ( 1.630 -3.515 -0.774) 3.951 17.980 ( -2.864 4.283 1.032) 5.255 18.057 ( 1.377 4.341 -0.461) 4.578 19.656 ( -0.852 -2.152 -0.309) 2.335 19.671 ( 0.617 -1.511 -0.278) 1.656 19.744 ( -1.600 -2.892 -0.149) 3.309 19.772 ( 2.337 -3.900 0.490) 4.573 19.914 ( -1.406 -2.496 1.048) 3.050 19.962 ( 0.648 -2.977 -0.521) 3.091 19.988 ( -0.329 -2.371 0.488) 2.443 20.025 ( -0.173 -2.525 -0.931) 2.697 20.210 ( -0.780 -0.218 1.502) 1.706 20.372 ( 1.961 -2.432 -2.320) 3.892 21.001 ( -0.487 -2.637 2.784) 3.865 21.123 ( 0.864 -1.136 -1.324) 1.947 21.406 ( -0.501 0.114 1.557) 1.639 21.462 ( -0.470 -0.858 -0.935) 1.353 27.464 ( 0.135 0.134 0.430) 0.470 27.475 ( -0.561 0.494 -0.501) 0.900 27.543 ( -0.360 0.922 0.352) 1.051 27.568 ( 0.163 0.728 -0.365) 0.830 28.493 ( -0.183 1.282 0.295) 1.328 28.512 ( 0.257 1.184 -0.101) 1.216 34.893 ( -3.559 12.416 1.793) 13.040 34.945 ( -5.258 10.473 -0.545) 11.732 35.341 ( 3.298 14.492 1.684) 14.958 35.528 ( 11.564 11.092 -1.718) 16.116 37.953 ( 0.540 16.078 2.225) 16.241 38.119 ( 2.430 16.840 -3.262) 17.324 38.298 ( 11.032 2.884 7.135) 13.451 38.467 ( -2.415 0.348 -8.527) 8.869 39.780 ( 1.487 6.336 5.222) 8.344 40.063 ( -1.949 3.738 -9.736) 10.610 41.933 ( -11.660 -18.797 2.027) 22.213 42.121 ( 0.640 -19.634 1.441) 19.698 ======================= Grid point 96 (44/90) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -11.092 21.590 -4.129) 24.621 1.364 ( -17.943 3.771 -7.254) 19.718 1.510 ( -10.328 11.626 -8.323) 17.639 1.583 ( -2.583 4.737 1.495) 5.599 1.705 ( -1.339 1.146 2.021) 2.682 1.794 ( 3.932 2.959 2.579) 5.556 1.883 ( -0.851 -2.464 2.605) 3.685 2.084 ( -4.260 8.321 -6.988) 11.672 2.327 ( 1.693 7.006 6.172) 9.489 2.465 ( 4.696 4.769 3.447) 7.528 2.564 ( 4.847 6.734 -3.054) 8.841 2.685 ( -4.732 10.164 -1.490) 11.310 2.794 ( 0.233 4.666 7.004) 8.419 2.924 ( -1.785 3.370 1.789) 4.213 2.967 ( 3.841 8.089 0.495) 8.968 3.274 ( -1.000 3.503 -3.083) 4.772 3.318 ( 0.266 9.806 -7.315) 12.237 3.362 ( 0.926 -0.232 -1.618) 1.879 3.386 ( 8.245 5.425 9.746) 13.871 3.563 ( 3.612 3.475 4.447) 6.701 3.687 ( 2.910 -6.818 -0.452) 7.427 3.784 ( 3.466 3.871 1.245) 5.343 3.873 ( -6.657 0.012 -2.772) 7.211 3.992 ( -2.879 6.062 -1.210) 6.819 4.034 ( 2.940 2.413 -0.486) 3.835 4.284 ( 5.616 -0.444 -0.399) 5.647 4.387 ( 2.495 -1.867 -1.746) 3.572 4.490 ( -3.218 -0.026 -1.943) 3.760 4.627 ( -5.465 1.803 2.575) 6.305 4.808 ( -2.933 -2.852 0.277) 4.101 4.951 ( -3.713 8.384 -1.760) 9.337 5.049 ( 1.219 -9.602 0.390) 9.687 5.203 ( -2.301 -1.074 -1.958) 3.207 5.354 ( 2.929 -2.203 -0.811) 3.753 5.511 ( -2.361 -0.335 6.946) 7.344 5.707 ( -4.162 3.157 -2.236) 5.682 5.945 ( -2.507 1.508 -1.655) 3.361 6.050 ( 2.741 -0.468 2.372) 3.655 6.173 ( 0.624 -3.568 -0.737) 3.696 6.394 ( 2.550 -3.703 3.031) 5.423 6.544 ( 5.503 0.803 0.570) 5.591 6.571 ( 3.742 -6.214 0.165) 7.256 6.933 ( 2.935 1.478 -1.712) 3.705 7.116 ( -2.016 -3.573 0.045) 4.103 7.972 ( -3.312 5.630 1.112) 6.625 8.327 ( 1.329 1.822 0.182) 2.263 8.708 ( -3.318 7.157 -3.122) 8.484 9.025 ( 2.938 4.009 0.731) 5.024 9.992 ( -0.567 0.621 2.428) 2.569 10.090 ( 0.263 -0.799 -2.330) 2.477 10.245 ( 0.518 0.282 0.869) 1.050 10.312 ( 0.504 0.061 -0.500) 0.712 11.482 ( -0.115 1.286 0.838) 1.540 11.568 ( 0.511 2.628 -3.377) 4.310 11.980 ( 1.468 4.711 2.852) 5.699 12.166 ( 6.565 6.168 -0.244) 9.011 12.423 ( 1.219 3.068 0.788) 3.394 12.627 ( -3.292 4.145 -2.730) 5.956 12.955 ( -3.493 -1.688 1.780) 4.268 13.273 ( -1.446 -0.292 1.205) 1.905 13.379 ( -0.818 -7.309 -0.961) 7.417 13.708 ( 1.337 -3.508 -7.769) 8.629 13.905 ( -1.840 -7.476 4.098) 8.722 14.099 ( 0.058 -8.248 1.027) 8.312 14.165 ( -0.663 -5.088 0.688) 5.177 14.359 ( 1.216 -6.374 -0.783) 6.536 17.599 ( 0.261 -2.244 0.305) 2.280 17.690 ( 2.530 -3.906 -0.947) 4.750 17.909 ( -3.535 3.744 0.492) 5.173 18.068 ( -0.688 3.175 -0.080) 3.250 19.642 ( -0.310 -1.435 -0.323) 1.503 19.690 ( 0.899 -3.159 0.141) 3.288 19.709 ( -1.360 -3.229 -0.737) 3.581 19.816 ( 1.666 -1.750 0.705) 2.517 19.876 ( -2.223 -2.443 0.819) 3.403 19.973 ( -0.532 -4.201 -0.392) 4.253 19.978 ( 0.286 -0.071 0.046) 0.298 20.023 ( 0.087 -2.613 -0.691) 2.704 20.213 ( 1.085 -0.211 -0.009) 1.106 20.391 ( -0.247 -3.575 -0.141) 3.586 21.006 ( 0.753 -2.415 1.864) 3.142 21.145 ( 1.294 -1.073 -0.700) 1.821 21.385 ( -1.520 0.072 1.053) 1.850 21.446 ( -1.289 -1.124 -0.251) 1.728 27.457 ( -0.894 0.354 -0.567) 1.116 27.465 ( -0.225 0.123 0.515) 0.575 27.538 ( -0.163 0.659 0.417) 0.796 27.568 ( -0.106 1.015 -0.320) 1.070 28.491 ( 0.003 1.307 0.089) 1.310 28.518 ( 0.247 1.253 0.072) 1.280 34.782 ( -6.116 10.440 0.518) 12.110 34.815 ( -6.111 10.136 0.160) 11.837 35.466 ( 7.291 15.868 2.835) 17.691 35.888 ( 21.991 11.572 -2.522) 24.978 38.034 ( 7.579 19.903 3.156) 21.530 38.185 ( 4.476 14.182 -1.874) 14.989 38.435 ( 2.529 7.089 -11.099) 13.410 38.656 ( 20.034 -1.322 6.804) 21.200 39.818 ( 1.705 5.506 5.401) 7.899 40.010 ( -1.677 3.386 -10.200) 10.877 41.603 ( -20.345 -17.994 0.311) 27.163 42.014 ( -12.096 -19.656 2.948) 23.267 ======================= Grid point 97 (45/90) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.169 23.984 9.089) 25.649 1.039 ( -11.365 14.122 2.216) 18.262 1.352 ( -4.271 11.146 -11.678) 16.699 1.519 ( -1.086 4.411 -2.594) 5.231 1.690 ( -3.404 -2.620 5.837) 7.247 1.801 ( -4.988 6.813 3.456) 9.124 1.957 ( 7.416 5.092 5.394) 10.489 1.994 ( -1.852 13.811 -5.161) 14.860 2.333 ( 0.992 9.380 9.605) 13.462 2.534 ( -0.861 12.096 -7.318) 14.164 2.619 ( 2.386 11.180 -3.253) 11.886 2.714 ( 4.354 -2.043 3.461) 5.925 2.807 ( -0.996 15.624 4.886) 16.401 2.912 ( 1.198 1.716 2.253) 3.075 3.039 ( 2.717 3.928 -2.363) 5.329 3.179 ( -6.740 6.345 -5.934) 10.995 3.311 ( -0.406 9.754 -11.086) 14.772 3.393 ( 0.788 3.653 1.256) 3.942 3.491 ( 0.028 0.237 5.098) 5.104 3.610 ( 0.325 11.308 0.184) 11.314 3.693 ( -0.408 -1.552 -2.339) 2.837 3.728 ( -3.934 6.551 2.415) 8.013 3.876 ( 3.126 0.512 4.658) 5.634 3.967 ( 0.961 1.110 -0.713) 1.632 4.108 ( 4.725 1.716 -2.759) 5.735 4.369 ( 1.285 -0.514 -2.885) 3.200 4.423 ( -0.232 -0.751 -2.432) 2.556 4.464 ( 2.122 -4.751 0.924) 5.285 4.564 ( -0.580 2.961 5.474) 6.250 4.752 ( -3.055 0.296 -2.431) 3.916 4.885 ( -1.722 2.858 0.418) 3.363 5.036 ( -2.495 -12.692 -3.962) 13.528 5.149 ( -1.360 3.687 0.086) 3.930 5.400 ( 1.074 -3.618 -1.383) 4.019 5.470 ( -2.564 4.059 5.696) 7.449 5.635 ( -1.525 1.012 -2.173) 2.841 5.909 ( -0.660 1.086 0.373) 1.324 5.962 ( -8.373 0.775 1.913) 8.624 6.263 ( 5.105 -7.867 0.973) 9.429 6.459 ( 2.178 -6.109 1.767) 6.722 6.582 ( 1.776 -1.310 2.103) 3.048 6.711 ( 7.293 -6.764 0.048) 9.947 7.043 ( -1.717 -2.528 -1.584) 3.442 7.069 ( 5.040 -1.106 -2.380) 5.683 7.921 ( -1.940 5.881 3.650) 7.188 8.326 ( -2.059 6.936 -0.693) 7.268 8.676 ( 1.691 4.747 -0.847) 5.110 9.058 ( 0.149 -1.402 -0.747) 1.595 9.984 ( -0.587 0.561 3.556) 3.647 10.094 ( 0.370 -1.097 -1.700) 2.056 10.263 ( 0.962 -0.225 0.167) 1.002 10.313 ( -0.173 -0.771 -1.070) 1.330 11.465 ( 0.033 2.497 -0.478) 2.542 11.602 ( 1.705 -1.196 -0.448) 2.130 12.016 ( 1.526 4.344 4.266) 6.276 12.229 ( -1.125 -0.378 0.507) 1.291 12.508 ( 6.191 5.511 -3.714) 9.082 12.542 ( -4.152 3.433 -0.067) 5.388 12.955 ( 4.924 0.260 0.203) 4.935 13.272 ( 1.047 2.477 1.026) 2.879 13.342 ( -2.551 -5.155 -0.660) 5.789 13.626 ( -8.467 -8.162 -5.024) 12.789 13.903 ( 1.052 -4.215 1.704) 4.667 14.063 ( -2.035 -8.569 -0.707) 8.836 14.208 ( 2.866 -1.807 1.742) 3.810 14.365 ( -0.330 -5.381 -1.206) 5.524 17.612 ( 0.899 -1.109 0.773) 1.623 17.728 ( 0.621 -3.301 -1.786) 3.804 17.863 ( -0.037 2.220 0.629) 2.308 18.025 ( -3.319 1.529 -0.198) 3.660 19.641 ( 0.221 -1.307 0.399) 1.384 19.694 ( 0.501 -4.411 -0.895) 4.528 19.708 ( 0.454 -2.909 0.450) 2.978 19.815 ( -2.744 -1.379 -0.145) 3.075 19.855 ( 1.262 0.248 0.424) 1.354 19.950 ( -1.317 -1.900 -0.641) 2.399 19.990 ( 0.524 -2.099 0.173) 2.170 20.028 ( 0.548 -1.577 -0.916) 1.904 20.251 ( 2.309 -1.274 -0.397) 2.667 20.353 ( -3.546 -3.626 1.666) 5.339 21.038 ( 2.047 -1.373 1.354) 2.812 21.169 ( 0.819 -1.876 -0.646) 2.147 21.355 ( -1.181 0.299 0.561) 1.341 21.402 ( -2.946 -1.036 -0.138) 3.126 27.439 ( -0.692 0.438 -0.165) 0.835 27.459 ( -0.429 -0.076 0.131) 0.455 27.536 ( -0.077 0.697 0.612) 0.931 27.565 ( -0.133 0.967 -0.315) 1.026 28.495 ( 0.345 1.359 0.044) 1.402 28.521 ( 0.022 1.336 -0.009) 1.336 34.680 ( -3.437 9.394 0.056) 10.003 34.708 ( -4.095 10.222 0.285) 11.015 35.614 ( 6.068 17.242 5.766) 19.166 36.311 ( 15.399 4.052 -10.892) 19.292 38.185 ( 3.732 22.589 -3.134) 23.109 38.301 ( 3.244 3.129 0.584) 4.545 38.686 ( 30.661 19.489 -3.049) 36.458 39.080 ( 17.084 -4.103 5.535) 18.421 39.876 ( 3.693 1.703 2.407) 4.726 39.998 ( 2.625 3.499 -7.021) 8.272 41.122 ( -24.272 -13.461 1.423) 27.791 41.617 ( -25.775 -17.307 2.179) 31.123 ======================= Grid point 98 (46/90) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.011 17.989 2.848) 18.213 1.495 ( -1.245 3.240 5.753) 6.718 1.540 ( -0.279 11.805 -6.952) 13.703 1.606 ( 5.125 7.817 1.237) 9.429 1.611 ( 5.220 8.433 5.783) 11.481 1.966 ( 1.859 7.329 6.661) 10.077 1.991 ( -3.809 1.855 -6.892) 8.090 2.482 ( -1.721 2.001 -0.742) 2.742 2.504 ( 6.447 14.521 5.844) 16.929 2.642 ( 0.575 4.053 8.025) 9.009 2.707 ( -2.591 8.674 -6.944) 11.409 2.819 ( -1.996 2.225 -5.060) 5.877 2.913 ( -5.234 5.553 -1.243) 7.731 3.058 ( 1.425 4.465 3.500) 5.849 3.128 ( -0.583 3.848 -5.809) 6.992 3.256 ( -2.433 9.244 -3.290) 10.109 3.331 ( 2.444 -1.745 5.070) 5.892 3.533 ( -2.462 6.116 -5.727) 8.733 3.635 ( 0.269 7.588 -0.175) 7.595 3.706 ( -2.696 2.526 -0.988) 3.824 3.746 ( 1.965 8.941 0.209) 9.157 3.861 ( 4.566 1.017 -3.564) 5.881 3.950 ( -6.384 7.745 3.916) 10.774 4.104 ( 6.337 3.078 -0.769) 7.087 4.259 ( -1.575 -0.691 1.852) 2.528 4.350 ( -2.367 2.404 -5.671) 6.598 4.393 ( 0.953 8.348 6.284) 10.492 4.527 ( -2.699 0.712 1.513) 3.175 4.564 ( 2.137 -7.023 5.454) 9.145 4.635 ( 1.437 -3.502 -1.948) 4.257 4.790 ( -1.546 -5.916 -3.937) 7.272 4.810 ( -0.082 -6.009 -5.128) 7.899 5.210 ( 2.654 -0.072 2.676) 3.770 5.313 ( 0.721 -4.847 1.470) 5.116 5.492 ( -2.506 1.571 3.680) 4.721 5.688 ( 4.754 -0.127 -3.748) 6.055 5.837 ( -4.650 4.325 2.810) 6.945 6.000 ( -2.442 5.963 -3.517) 7.341 6.184 ( 3.287 -5.943 4.472) 8.131 6.365 ( -2.530 0.685 -2.938) 3.937 6.589 ( 0.100 -0.190 2.823) 2.831 6.725 ( 7.791 -5.551 -2.690) 9.937 6.873 ( -7.986 -3.752 4.482) 9.897 7.092 ( 1.623 -2.932 -5.063) 6.072 8.101 ( 3.107 9.658 5.825) 11.699 8.382 ( -4.795 6.427 -5.677) 9.824 8.812 ( 4.605 0.718 3.708) 5.955 8.968 ( -2.439 -2.878 -2.818) 4.709 9.987 ( -0.139 -0.032 2.945) 2.949 10.084 ( 0.903 -0.991 -0.496) 1.430 10.248 ( -0.700 -1.984 -0.832) 2.262 10.272 ( -0.040 -1.454 -1.301) 1.952 11.510 ( -0.619 0.710 2.147) 2.344 11.616 ( 1.885 1.329 -2.377) 3.312 12.112 ( 1.179 1.996 2.926) 3.732 12.168 ( -1.367 -0.196 0.161) 1.390 12.562 ( -2.268 5.038 1.187) 5.651 12.685 ( 2.683 4.108 -3.551) 6.056 13.005 ( 1.052 -6.303 1.468) 6.557 13.110 ( -1.955 -8.971 -2.904) 9.630 13.383 ( 1.174 4.241 1.591) 4.679 13.445 ( -1.059 0.974 -0.814) 1.653 13.834 ( 0.036 -4.373 1.161) 4.525 13.895 ( 0.578 -7.145 -0.841) 7.218 14.200 ( -1.298 -2.700 -0.004) 2.996 14.240 ( 0.714 -6.207 -0.717) 6.289 17.609 ( -0.315 -1.061 1.110) 1.567 17.685 ( 0.553 -1.776 -2.136) 2.832 17.903 ( -0.664 0.846 1.834) 2.126 17.978 ( 0.273 0.517 -1.313) 1.437 19.611 ( 0.057 -3.274 -0.153) 3.278 19.618 ( 0.093 -3.783 -0.364) 3.802 19.641 ( 0.466 -2.173 1.750) 2.828 19.749 ( -0.651 -2.501 -2.924) 3.903 19.861 ( -0.009 -1.734 0.742) 1.886 19.880 ( 0.078 -2.459 0.354) 2.486 20.000 ( 0.330 2.047 0.801) 2.223 20.040 ( 0.001 0.059 -0.902) 0.904 20.235 ( -1.151 -0.386 1.598) 2.007 20.280 ( 0.514 -1.175 -0.470) 1.366 21.067 ( 1.673 -0.630 0.960) 2.029 21.113 ( -1.443 -2.192 -0.882) 2.769 21.332 ( -1.019 -0.243 0.991) 1.442 21.375 ( 0.808 0.306 -0.736) 1.135 27.441 ( 0.295 0.243 0.185) 0.425 27.450 ( -0.294 -0.049 -0.172) 0.344 27.549 ( 0.018 0.523 0.577) 0.780 27.575 ( 0.006 0.325 -0.451) 0.556 28.527 ( 0.097 1.142 0.284) 1.180 28.543 ( -0.126 1.025 -0.369) 1.097 34.850 ( 0.394 9.803 0.348) 9.817 34.863 ( -0.420 9.987 -0.187) 9.997 36.047 ( 1.827 14.951 6.287) 16.322 36.423 ( -3.520 1.901 -8.560) 9.449 38.398 ( 0.506 5.320 1.224) 5.482 38.598 ( -1.197 11.943 -6.633) 13.714 39.141 ( -2.557 -3.911 5.486) 7.206 39.314 ( 3.948 0.123 -2.072) 4.461 39.929 ( -2.141 2.967 3.891) 5.341 40.147 ( 4.561 4.540 -5.598) 8.530 40.687 ( 0.486 -10.325 7.159) 12.573 40.938 ( -0.685 -12.506 -3.730) 13.068 ======================= Grid point 99 (47/90) ======================= q-point: ( 0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.408 14.302 0.801) 14.393 1.430 ( -0.704 5.915 -1.173) 6.071 1.588 ( 4.056 4.825 -2.756) 6.880 1.729 ( 6.351 1.466 -0.007) 6.518 1.751 ( -1.143 4.335 1.215) 4.645 1.837 ( -4.797 5.519 -2.713) 7.799 2.125 ( 12.987 10.073 16.363) 23.192 2.352 ( -7.329 4.641 -10.484) 13.608 2.466 ( -10.114 9.140 0.964) 13.666 2.609 ( -1.364 4.190 -4.858) 6.559 2.728 ( 2.777 12.238 9.254) 15.592 2.809 ( -2.649 2.411 -2.526) 4.383 2.833 ( -0.009 5.954 2.870) 6.610 3.023 ( -5.177 5.909 -1.653) 8.028 3.092 ( 0.391 2.581 2.918) 3.916 3.202 ( -1.337 0.702 -3.765) 4.056 3.438 ( 0.295 4.245 -3.410) 5.454 3.449 ( -2.561 1.583 0.238) 3.020 3.580 ( -5.031 3.415 -0.847) 6.139 3.650 ( -3.300 6.860 -3.574) 8.410 3.775 ( 1.360 7.655 -1.001) 7.839 3.819 ( -3.054 8.019 3.811) 9.389 3.988 ( 3.862 1.858 -2.675) 5.052 4.142 ( -2.885 5.365 3.223) 6.891 4.228 ( -6.806 8.010 -2.150) 10.729 4.272 ( 2.117 -5.572 -0.489) 5.981 4.404 ( -5.179 -0.864 -1.474) 5.453 4.453 ( 2.245 -1.092 6.272) 6.750 4.634 ( 2.721 -1.863 5.576) 6.478 4.682 ( 3.699 -2.127 -2.539) 4.965 4.777 ( 1.722 -9.289 -2.516) 9.777 4.869 ( 4.696 -0.750 -5.094) 6.969 5.245 ( -0.178 -3.315 1.911) 3.831 5.301 ( -2.383 -2.827 -3.597) 5.158 5.498 ( 3.824 6.673 6.571) 10.115 5.753 ( -1.471 4.962 -2.749) 5.860 5.853 ( 6.613 -1.861 1.817) 7.107 5.999 ( 3.140 -2.739 -0.350) 4.181 6.173 ( -5.072 -5.085 0.879) 7.236 6.348 ( 2.481 6.761 -1.381) 7.333 6.602 ( 0.392 -1.817 -0.560) 1.941 6.670 ( -8.895 0.356 6.898) 11.262 6.858 ( 2.390 -4.532 -4.929) 7.110 7.098 ( 0.230 -0.782 -1.619) 1.813 8.144 ( -0.762 6.681 2.815) 7.289 8.358 ( 3.594 5.211 -0.155) 6.332 8.795 ( -3.932 0.211 -1.638) 4.265 9.028 ( 5.885 1.588 -0.311) 6.104 9.993 ( 0.380 0.384 2.391) 2.451 10.107 ( 1.281 -1.005 -0.254) 1.648 10.225 ( -1.546 -1.833 -0.920) 2.568 10.273 ( 0.276 -1.735 -0.964) 2.004 11.477 ( -2.268 0.775 0.694) 2.495 11.677 ( 3.387 1.751 -2.087) 4.346 12.113 ( -2.267 2.894 3.317) 4.952 12.161 ( 1.041 -2.515 0.326) 2.742 12.565 ( 2.441 4.512 -2.021) 5.514 12.691 ( -2.220 5.173 -0.370) 5.641 12.931 ( -3.462 -2.725 0.165) 4.408 13.144 ( 2.329 -10.446 -0.136) 10.703 13.388 ( -0.046 1.688 2.259) 2.820 13.471 ( 1.969 0.411 -3.089) 3.686 13.854 ( 1.733 -4.728 0.744) 5.090 13.910 ( 1.000 -6.638 -0.396) 6.724 14.133 ( -4.412 -3.314 0.189) 5.521 14.241 ( -0.905 -5.978 -0.482) 6.066 17.581 ( -1.836 -1.487 0.599) 2.437 17.675 ( -1.759 -2.710 -1.408) 3.524 17.900 ( 1.813 2.686 0.881) 3.359 18.044 ( 4.204 0.208 -0.428) 4.231 19.595 ( -1.121 -3.692 -0.376) 3.877 19.616 ( -0.054 -3.559 -0.028) 3.560 19.664 ( 0.918 -2.197 1.484) 2.805 19.741 ( 0.081 -3.352 -2.190) 4.005 19.847 ( -0.693 -0.638 0.133) 0.951 19.896 ( 0.784 -2.893 0.439) 3.029 20.003 ( -0.218 1.818 0.663) 1.947 20.023 ( -1.154 -0.283 -0.628) 1.344 20.225 ( 0.284 0.619 0.405) 0.792 20.291 ( 0.113 -1.480 0.383) 1.533 21.065 ( -1.529 -0.514 0.728) 1.769 21.093 ( -0.522 -1.764 -0.510) 1.909 21.332 ( 0.986 -0.240 0.449) 1.110 21.404 ( 1.699 -0.496 -0.237) 1.786 27.448 ( 0.142 -0.129 -0.212) 0.286 27.456 ( 1.022 0.211 0.249) 1.072 27.549 ( -0.071 0.410 0.434) 0.601 27.578 ( 0.291 0.426 -0.354) 0.626 28.525 ( -0.239 1.093 0.118) 1.125 28.541 ( -0.100 1.143 -0.151) 1.157 34.878 ( 3.047 9.813 -0.107) 10.275 34.917 ( 4.641 10.032 0.351) 11.059 36.027 ( -4.743 13.978 7.349) 16.489 36.231 ( -12.962 6.410 -8.390) 16.718 38.383 ( -2.140 7.918 2.809) 8.670 38.516 ( -6.193 6.929 -7.477) 11.928 38.899 ( -17.000 4.963 2.269) 17.854 39.110 ( -17.821 -0.710 1.315) 17.884 39.881 ( -1.726 6.022 0.712) 6.305 40.200 ( 0.825 6.247 -3.535) 7.225 40.872 ( 17.641 -16.059 2.329) 23.970 41.261 ( 21.118 -18.408 0.343) 28.017 ======================= Grid point 100 (48/90) ======================= q-point: ( 0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 3.338 0.567 -2.951) 4.491 1.493 ( 3.939 8.965 0.368) 9.800 1.559 ( -4.183 7.531 -6.216) 10.623 1.694 ( 1.679 -0.242 1.865) 2.521 1.818 ( 1.116 -2.512 0.234) 2.758 1.889 ( 6.324 5.476 1.382) 8.479 2.208 ( -9.328 3.671 -0.823) 10.059 2.245 ( -3.334 7.162 -7.273) 10.738 2.385 ( 1.273 5.218 3.470) 6.394 2.662 ( 4.583 6.966 -3.272) 8.957 2.721 ( -0.622 6.639 2.068) 6.982 2.751 ( 5.410 4.987 6.142) 9.585 2.899 ( -0.221 6.838 8.791) 11.140 2.962 ( -0.505 6.225 -1.816) 6.504 3.068 ( -3.283 0.858 0.662) 3.457 3.160 ( -1.978 0.275 -2.225) 2.990 3.273 ( -9.664 -4.718 -1.580) 10.870 3.448 ( -2.191 1.713 1.782) 3.303 3.461 ( -5.342 -1.669 -1.326) 5.752 3.564 ( -3.656 11.491 -4.175) 12.761 3.733 ( -4.738 2.419 0.134) 5.322 3.854 ( 2.207 11.273 -1.596) 11.597 3.993 ( -1.784 -1.360 2.504) 3.362 4.082 ( -1.768 8.725 3.723) 9.649 4.135 ( -2.376 12.718 -0.399) 12.944 4.233 ( -3.900 -5.542 -2.174) 7.117 4.350 ( -0.973 -3.953 -2.128) 4.593 4.523 ( 3.838 -4.392 5.473) 7.999 4.699 ( 1.963 -0.868 0.394) 2.183 4.732 ( 1.893 -7.664 -2.155) 8.183 4.879 ( 6.798 -3.116 0.597) 7.502 4.964 ( 4.712 -0.323 -1.805) 5.056 5.216 ( -2.730 3.493 -5.102) 6.759 5.253 ( -0.194 -4.961 -0.211) 4.969 5.608 ( 4.787 4.848 5.093) 8.507 5.704 ( -2.779 -1.400 0.847) 3.225 5.958 ( 1.709 3.245 3.170) 4.848 6.046 ( -2.179 -6.412 -1.794) 7.005 6.108 ( 3.044 -5.754 -3.261) 7.280 6.397 ( -0.001 6.516 -1.502) 6.687 6.517 ( -2.607 7.311 7.873) 11.056 6.640 ( 0.386 3.445 -0.754) 3.548 6.860 ( 1.152 -0.043 -3.205) 3.406 7.107 ( -0.051 -0.735 -0.660) 0.989 8.128 ( -0.152 2.545 -0.004) 2.549 8.374 ( -4.426 -1.753 0.400) 4.778 8.800 ( 5.709 8.733 -0.148) 10.435 9.122 ( 2.795 5.414 -0.644) 6.126 10.005 ( 0.415 0.434 1.593) 1.703 10.129 ( 0.531 -0.841 -2.079) 2.304 10.189 ( -1.222 -1.349 1.079) 2.116 10.280 ( 0.326 -1.946 -0.467) 2.027 11.441 ( -0.946 2.035 1.195) 2.543 11.727 ( 1.644 2.450 -3.776) 4.792 12.054 ( -3.255 2.259 3.159) 5.066 12.174 ( -0.257 -1.484 -0.629) 1.633 12.604 ( -2.756 6.158 1.909) 7.012 12.650 ( 2.989 3.319 -3.294) 5.550 12.926 ( 2.468 -2.440 0.415) 3.496 13.169 ( -0.206 -10.284 0.289) 10.290 13.379 ( -1.508 0.364 5.284) 5.507 13.504 ( 2.212 -1.368 -6.968) 7.438 13.883 ( 0.485 -4.776 0.885) 4.882 13.943 ( 1.695 -5.384 0.142) 5.646 14.047 ( -2.849 -5.056 0.692) 5.845 14.205 ( -2.367 -6.983 -0.469) 7.389 17.550 ( -1.083 -2.163 0.448) 2.460 17.624 ( -2.513 -2.974 -0.932) 4.004 17.971 ( 4.178 3.469 0.704) 5.476 18.112 ( 2.089 1.010 -0.272) 2.337 19.578 ( -0.371 -3.831 -0.099) 3.850 19.616 ( 0.080 -3.741 -0.563) 3.784 19.675 ( 0.068 -2.230 0.791) 2.367 19.736 ( -0.591 -3.443 -0.223) 3.500 19.846 ( 0.628 -0.872 -0.473) 1.174 19.906 ( 0.095 -2.857 0.243) 2.869 19.993 ( -0.497 0.760 0.216) 0.933 20.005 ( -0.542 -0.094 -0.203) 0.587 20.235 ( 0.104 0.001 1.055) 1.060 20.290 ( 0.228 -0.787 -0.938) 1.245 21.031 ( -1.939 -0.107 2.147) 2.895 21.081 ( -0.280 -1.741 -1.693) 2.444 21.362 ( 1.614 -0.452 0.454) 1.737 21.433 ( 1.030 -1.434 -0.178) 1.775 27.453 ( 0.382 -0.020 -0.043) 0.385 27.477 ( 0.808 0.091 0.125) 0.823 27.550 ( 0.289 0.369 0.244) 0.528 27.582 ( 0.029 0.476 -0.264) 0.545 28.521 ( -0.105 1.083 0.048) 1.089 28.538 ( -0.169 1.261 0.007) 1.273 34.978 ( 6.370 9.848 -0.171) 11.730 35.039 ( 6.972 10.236 0.602) 12.400 35.877 ( -9.885 12.821 5.117) 16.978 35.926 ( -14.580 10.227 -4.780) 18.440 38.324 ( -6.300 5.790 -1.228) 8.644 38.329 ( -6.993 7.385 0.414) 10.179 38.624 ( -8.502 13.096 -1.264) 15.664 38.758 ( -14.563 0.165 0.677) 14.580 39.870 ( 0.482 7.801 1.326) 7.928 40.215 ( 0.896 6.850 -4.760) 8.390 41.263 ( 17.754 -19.049 1.428) 26.079 41.600 ( 10.470 -21.786 1.270) 24.204 ======================= Grid point 101 (49/90) ======================= q-point: ( 0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 4.076 -0.556 0.471) 4.140 1.570 ( 3.754 8.755 0.032) 9.526 1.606 ( 6.147 0.741 -2.176) 6.563 1.719 ( 0.637 -1.763 2.373) 3.024 1.805 ( -2.628 -2.691 1.859) 4.195 1.954 ( -5.788 3.969 -6.328) 9.450 2.077 ( 4.867 -0.438 4.371) 6.556 2.247 ( 0.270 2.772 -3.113) 4.177 2.348 ( 0.203 11.203 -8.229) 13.901 2.629 ( -3.735 5.345 -7.069) 9.617 2.677 ( -7.654 2.269 1.236) 8.078 2.814 ( -9.435 -2.644 0.882) 9.839 2.874 ( -0.662 -1.999 0.894) 2.288 2.976 ( 1.272 3.680 5.677) 6.884 3.018 ( -0.342 -2.271 -4.290) 4.866 3.161 ( 8.273 10.666 4.544) 14.243 3.283 ( 8.031 7.847 4.603) 12.135 3.334 ( -4.273 -1.600 4.507) 6.414 3.388 ( -4.437 0.158 0.375) 4.456 3.516 ( -0.034 6.070 -2.820) 6.693 3.657 ( -1.392 2.548 1.195) 3.139 3.785 ( -6.801 7.108 -1.727) 9.988 4.028 ( 3.771 1.688 0.106) 4.133 4.065 ( -1.291 9.505 2.231) 9.848 4.113 ( 1.038 5.579 1.300) 5.822 4.185 ( -1.098 -0.057 -2.540) 2.768 4.320 ( -1.432 -2.772 1.123) 3.316 4.589 ( 1.077 -5.422 -0.494) 5.550 4.681 ( -2.889 -6.032 -0.726) 6.727 4.780 ( 2.710 -6.111 0.376) 6.695 4.993 ( 3.376 -6.077 0.477) 6.968 5.057 ( 3.905 2.871 3.773) 6.142 5.161 ( -1.128 0.931 -8.249) 8.378 5.268 ( 0.571 1.055 -1.433) 1.869 5.636 ( -3.888 -0.392 7.888) 8.803 5.691 ( 2.596 -1.833 -0.873) 3.296 5.919 ( -1.853 3.223 -0.287) 3.729 6.053 ( -0.529 -3.734 -4.170) 5.622 6.157 ( 3.223 -4.468 1.893) 5.825 6.356 ( -2.532 4.327 -2.885) 5.784 6.526 ( 0.222 12.050 7.216) 14.047 6.628 ( 0.162 8.704 -0.616) 8.728 6.954 ( 6.538 1.132 -0.927) 6.700 7.068 ( -3.817 -0.495 -0.946) 3.964 8.144 ( 1.577 -0.438 -0.574) 1.734 8.243 ( -6.064 -1.133 -2.097) 6.516 8.942 ( 5.551 9.869 3.090) 11.737 9.141 ( -0.386 8.702 -1.855) 8.906 10.011 ( -0.034 0.272 1.039) 1.075 10.108 ( -1.465 -0.563 -3.460) 3.799 10.202 ( 1.513 -1.417 2.879) 3.547 10.281 ( -0.143 -1.573 -0.370) 1.622 11.444 ( 0.918 2.511 3.114) 4.104 11.733 ( -0.604 2.948 -5.815) 6.547 12.006 ( -1.425 1.909 3.358) 4.116 12.160 ( -0.306 1.929 -2.562) 3.222 12.538 ( -3.151 4.688 4.610) 7.291 12.720 ( 3.120 3.957 -5.557) 7.501 13.009 ( 4.650 -5.130 1.085) 7.009 13.125 ( -3.734 -9.076 0.082) 9.815 13.346 ( -2.226 -1.123 5.355) 5.907 13.555 ( 3.606 -0.742 -7.732) 8.564 13.876 ( -1.655 -4.574 3.515) 6.001 13.934 ( -0.838 -4.066 -0.399) 4.171 14.066 ( 2.985 -8.043 0.456) 8.592 14.149 ( -2.677 -7.663 -0.678) 8.145 17.539 ( -0.157 -2.783 0.537) 2.838 17.583 ( -1.137 -2.644 -0.849) 3.001 18.050 ( 2.811 3.062 1.032) 4.282 18.126 ( -0.393 2.347 -0.567) 2.446 19.578 ( 0.217 -4.070 0.236) 4.083 19.617 ( 0.065 -4.303 -1.064) 4.433 19.676 ( 0.060 -2.178 1.038) 2.414 19.721 ( -0.607 -2.424 0.036) 2.499 19.863 ( 0.886 -2.042 -0.126) 2.229 19.899 ( -0.679 -2.673 -0.291) 2.773 19.988 ( -0.125 1.353 0.181) 1.371 19.997 ( -0.222 -1.148 -0.228) 1.191 20.223 ( -1.143 -0.346 2.235) 2.534 20.310 ( 1.660 -0.588 -2.751) 3.267 20.992 ( -1.983 -0.578 3.056) 3.689 21.084 ( 0.805 -1.206 -2.273) 2.696 21.392 ( 0.991 -0.655 0.752) 1.406 21.443 ( -0.064 -1.692 -0.446) 1.751 27.462 ( 0.365 0.140 0.268) 0.474 27.485 ( -0.012 0.075 -0.158) 0.175 27.561 ( 0.527 0.458 0.184) 0.722 27.578 ( -0.310 0.409 -0.283) 0.586 28.521 ( 0.012 1.117 0.266) 1.148 28.535 ( -0.085 1.262 -0.172) 1.277 35.112 ( 5.433 10.422 0.394) 11.759 35.178 ( 4.745 10.244 0.161) 11.290 35.674 ( -7.032 10.081 -1.791) 12.421 35.684 ( -7.762 13.441 2.183) 15.673 38.194 ( -1.794 3.734 0.387) 4.160 38.267 ( -2.281 11.771 3.685) 12.544 38.500 ( -4.100 2.595 -3.159) 5.790 38.555 ( -4.708 10.869 -2.128) 12.035 39.896 ( 1.514 8.409 3.122) 9.097 40.211 ( -0.800 7.026 -6.619) 9.686 41.557 ( 9.654 -20.351 2.171) 22.629 41.695 ( -0.520 -20.994 0.676) 21.012 ======================= Grid point 102 (50/90) ======================= q-point: (-0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.446 -0.623 -0.191) 0.790 1.615 ( 4.274 5.704 1.431) 7.270 1.654 ( -3.243 5.685 -2.195) 6.903 1.721 ( -2.717 -5.241 4.199) 7.244 1.743 ( -2.293 0.671 1.632) 2.894 1.862 ( -1.300 3.366 -4.529) 5.791 2.157 ( -3.540 3.521 0.187) 4.997 2.205 ( -2.322 7.053 -5.958) 9.520 2.393 ( 1.471 14.229 -7.865) 16.324 2.456 ( 1.644 2.949 -5.569) 6.512 2.564 ( -6.114 -4.533 2.941) 8.159 2.708 ( 1.919 -3.273 3.280) 5.015 2.944 ( 1.216 -1.322 1.144) 2.129 2.973 ( 2.990 0.184 4.213) 5.169 3.056 ( 1.145 3.939 -0.058) 4.103 3.180 ( -1.018 8.205 -3.592) 9.014 3.299 ( -0.728 -8.150 4.211) 9.203 3.389 ( 5.759 3.728 4.512) 8.211 3.511 ( 1.988 6.144 0.115) 6.459 3.566 ( 7.415 12.764 4.922) 15.560 3.664 ( -2.345 5.384 -3.902) 7.051 3.681 ( 4.234 0.947 -1.155) 4.489 4.036 ( -0.790 5.813 0.009) 5.867 4.105 ( 1.188 1.750 0.387) 2.150 4.159 ( 1.620 2.850 -2.074) 3.879 4.163 ( 1.783 5.025 2.606) 5.935 4.313 ( 0.782 -1.052 2.986) 3.261 4.529 ( -4.863 -5.542 -7.918) 10.820 4.639 ( -1.968 -9.403 5.407) 11.024 4.837 ( 2.294 -6.790 1.681) 7.362 4.974 ( -5.358 4.058 -1.253) 6.837 5.118 ( -0.080 0.454 4.418) 4.442 5.152 ( 1.186 -3.766 -7.929) 8.858 5.259 ( -0.350 -0.814 -3.492) 3.603 5.564 ( -3.422 1.943 5.808) 7.015 5.747 ( 3.349 -3.612 1.737) 5.223 5.892 ( -2.050 2.111 0.856) 3.065 6.023 ( -0.588 -3.776 -4.368) 5.803 6.231 ( 2.605 -0.566 1.407) 3.014 6.317 ( 0.126 2.634 -2.096) 3.369 6.513 ( -2.345 8.339 4.423) 9.726 6.666 ( 2.630 12.846 1.208) 13.168 6.961 ( -5.196 -0.536 -0.864) 5.295 7.062 ( 3.175 0.363 -1.123) 3.387 8.121 ( -2.951 1.458 -0.661) 3.357 8.228 ( 4.100 -1.633 -1.904) 4.806 8.968 ( -3.537 8.816 3.251) 10.040 9.137 ( 0.469 8.867 -2.130) 9.131 10.007 ( -0.463 0.062 1.152) 1.243 10.082 ( -0.681 -0.756 -2.535) 2.731 10.231 ( 0.753 -1.005 2.010) 2.370 10.282 ( 0.446 -1.650 -0.540) 1.792 11.477 ( 1.527 1.941 4.546) 5.174 11.690 ( -2.479 3.364 -7.106) 8.244 12.008 ( 1.076 1.550 3.102) 3.631 12.174 ( 2.119 3.076 -2.646) 4.577 12.491 ( -1.643 3.840 3.602) 5.515 12.752 ( 0.390 4.083 -4.508) 6.094 13.003 ( -5.026 -4.006 1.239) 6.546 13.131 ( 4.035 -10.017 0.065) 10.800 13.305 ( -1.858 -0.217 3.668) 4.118 13.621 ( 3.000 -1.696 -7.301) 8.073 13.831 ( -2.348 -3.627 4.280) 6.082 13.947 ( 1.426 -4.737 0.078) 4.948 14.066 ( -2.402 -7.582 0.418) 7.964 14.157 ( 3.041 -8.272 -0.605) 8.834 17.541 ( 0.245 -2.740 0.596) 2.815 17.582 ( 1.112 -2.682 -0.909) 3.042 18.054 ( -2.628 2.940 1.091) 4.092 18.124 ( 0.380 2.420 -0.626) 2.528 19.583 ( 0.181 -3.868 0.401) 3.893 19.612 ( -0.381 -4.491 -1.242) 4.675 19.674 ( -0.586 -2.335 1.068) 2.633 19.727 ( 1.382 -2.193 0.023) 2.593 19.863 ( -1.033 -1.975 -0.165) 2.235 19.895 ( 0.520 -2.810 -0.245) 2.868 19.984 ( -0.178 0.458 0.123) 0.507 19.998 ( 0.292 -0.124 -0.182) 0.366 20.207 ( -0.478 -0.085 1.476) 1.554 20.337 ( 0.996 -1.265 -2.034) 2.594 20.965 ( -0.729 -1.010 2.272) 2.591 21.104 ( 1.229 -0.726 -1.449) 2.034 21.399 ( -0.419 -0.675 1.036) 1.306 21.434 ( -0.553 -1.713 -0.727) 1.941 27.467 ( -0.016 0.181 0.452) 0.488 27.479 ( -0.399 0.116 -0.344) 0.539 27.558 ( -0.633 0.504 0.140) 0.822 27.580 ( 0.391 0.354 -0.238) 0.579 28.520 ( -0.097 1.297 0.245) 1.323 28.536 ( 0.200 1.086 -0.150) 1.115 35.134 ( -4.691 10.729 1.121) 11.763 35.150 ( -5.677 9.683 -0.591) 11.240 35.633 ( 3.899 13.664 0.028) 14.210 35.741 ( 12.051 9.707 0.395) 15.479 38.220 ( 1.741 9.553 1.870) 9.889 38.292 ( 6.700 2.225 2.772) 7.584 38.480 ( 3.094 4.514 -2.541) 6.033 38.520 ( 1.066 13.342 -3.344) 13.796 39.931 ( 1.199 8.406 4.665) 9.688 40.166 ( -2.563 6.566 -8.138) 10.766 41.544 ( -10.308 -19.128 2.155) 21.835 41.702 ( 0.245 -21.274 0.689) 21.286 ======================= Grid point 103 (51/90) ======================= q-point: (-0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -5.904 4.393 -3.710) 8.241 1.551 ( -5.481 15.486 -2.235) 16.579 1.608 ( -6.875 3.503 -4.783) 9.078 1.668 ( -2.647 -2.274 5.559) 6.564 1.757 ( 4.054 5.421 -3.453) 7.599 1.879 ( 0.392 4.339 -1.442) 4.589 1.926 ( -5.493 10.288 3.421) 12.154 2.282 ( 2.814 7.621 -5.473) 9.795 2.424 ( 0.883 7.444 4.041) 8.516 2.537 ( 5.707 4.149 2.979) 7.659 2.582 ( 6.492 -0.670 -2.532) 7.001 2.756 ( 1.405 -1.324 3.320) 3.841 2.960 ( -2.000 9.354 1.483) 9.680 3.009 ( 4.730 4.744 3.921) 7.763 3.090 ( 0.992 -0.579 -2.143) 2.431 3.217 ( 0.988 -8.608 0.535) 8.681 3.329 ( 4.149 -2.153 2.008) 5.087 3.484 ( 2.607 0.901 -0.393) 2.786 3.553 ( 3.287 15.565 -3.830) 16.362 3.618 ( 3.128 6.784 -1.632) 7.647 3.718 ( 3.263 -0.291 -0.863) 3.388 3.794 ( 3.480 3.947 -0.707) 5.309 4.035 ( -0.597 1.797 -1.902) 2.684 4.087 ( 0.524 14.405 5.925) 15.585 4.181 ( 0.431 3.066 0.020) 3.096 4.253 ( 4.952 0.900 1.568) 5.272 4.347 ( 0.913 -1.989 0.208) 2.198 4.444 ( -1.195 -3.004 -4.461) 5.510 4.595 ( -2.334 -9.927 4.557) 11.169 4.812 ( -8.382 6.674 0.001) 10.714 4.863 ( -0.834 -5.801 -1.168) 5.976 5.037 ( -5.653 -2.512 -0.352) 6.196 5.178 ( 0.541 -1.351 -5.680) 5.863 5.261 ( 0.719 -6.088 -0.780) 6.179 5.514 ( -1.748 2.594 4.065) 5.129 5.782 ( -3.549 2.029 2.244) 4.663 5.896 ( 5.807 -5.066 3.480) 8.455 6.019 ( -0.179 -2.776 -4.219) 5.053 6.231 ( -3.769 7.680 -2.333) 8.868 6.368 ( 4.769 -3.174 2.551) 6.272 6.462 ( -1.892 2.083 2.202) 3.573 6.663 ( -3.332 9.572 1.381) 10.229 6.937 ( 3.629 -0.675 -2.323) 4.361 7.075 ( -1.517 -0.168 -0.857) 1.750 8.082 ( -1.071 4.955 0.085) 5.070 8.328 ( 5.422 -1.547 0.228) 5.643 8.860 ( -6.035 8.001 0.009) 10.022 9.119 ( -2.402 4.700 -0.713) 5.326 9.998 ( -0.524 -0.261 1.928) 2.015 10.072 ( -0.130 -0.905 -1.558) 1.806 10.244 ( 0.583 -0.374 0.221) 0.727 10.288 ( -0.046 -2.331 -0.456) 2.376 11.507 ( 0.584 1.328 3.734) 4.006 11.632 ( -1.918 3.137 -6.085) 7.109 12.043 ( 1.733 1.782 2.401) 3.456 12.217 ( 1.073 0.064 0.133) 1.083 12.501 ( 3.051 4.562 -0.337) 5.499 12.722 ( -2.887 4.571 -1.403) 5.586 12.916 ( -2.640 -2.044 0.538) 3.382 13.183 ( 0.653 -11.543 0.234) 11.564 13.301 ( 1.326 2.995 1.968) 3.821 13.625 ( -2.471 -4.000 -4.632) 6.600 13.815 ( 0.448 -2.291 1.951) 3.043 13.945 ( -2.117 -6.637 0.227) 6.971 14.069 ( 3.312 -4.608 0.543) 5.701 14.212 ( 2.146 -7.817 -0.440) 8.118 17.555 ( 1.142 -2.000 0.549) 2.367 17.619 ( 2.382 -3.073 -1.024) 4.021 17.980 ( -4.007 3.258 0.715) 5.214 18.110 ( -2.065 1.082 -0.297) 2.350 19.589 ( 0.359 -3.285 0.324) 3.320 19.603 ( -0.202 -4.291 -1.092) 4.432 19.661 ( -0.652 -1.824 0.846) 2.114 19.763 ( 1.546 -3.612 -0.184) 3.933 19.840 ( -0.860 -1.271 -0.454) 1.601 19.902 ( -0.013 -2.596 0.242) 2.608 19.985 ( 0.226 0.530 0.158) 0.598 20.006 ( 0.613 0.505 -0.147) 0.808 20.209 ( 0.620 -0.142 0.527) 0.826 20.338 ( -0.825 -1.874 -0.450) 2.097 20.973 ( 1.296 -0.978 0.939) 1.875 21.126 ( 0.909 -0.790 -0.453) 1.287 21.381 ( -1.266 -0.405 0.786) 1.544 21.416 ( -1.263 -1.642 -0.504) 2.132 27.459 ( -0.707 0.002 -0.130) 0.719 27.471 ( -0.472 0.267 0.215) 0.583 27.548 ( -0.298 0.402 0.216) 0.545 27.583 ( -0.044 0.414 -0.237) 0.479 28.519 ( 0.028 1.362 0.043) 1.363 28.541 ( 0.265 0.997 0.011) 1.032 34.985 ( -7.037 9.494 -0.261) 11.820 35.029 ( -6.164 10.308 0.683) 12.030 35.781 ( 8.668 14.561 0.946) 16.972 36.065 ( 17.238 6.572 -0.551) 18.457 38.277 ( 3.934 5.456 -0.083) 6.727 38.497 ( 9.081 14.382 -1.982) 17.124 38.574 ( 8.595 4.414 -0.951) 9.709 38.667 ( 13.906 5.096 1.489) 14.885 39.951 ( 0.147 7.556 4.849) 8.979 40.101 ( -2.201 5.735 -8.192) 10.239 41.247 ( -17.955 -16.853 1.510) 24.672 41.598 ( -10.983 -20.958 1.179) 23.691 ======================= Grid point 104 (52/90) ======================= q-point: (-0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.067 14.949 0.810) 15.282 1.469 ( -0.834 22.705 1.871) 22.797 1.538 ( -0.131 5.482 -3.715) 6.624 1.577 ( -4.761 -0.529 1.771) 5.107 1.686 ( -5.322 8.172 -3.825) 10.475 1.916 ( 2.413 5.385 4.171) 7.226 1.995 ( 4.240 0.622 -0.538) 4.319 2.333 ( 5.093 15.454 -0.545) 16.280 2.473 ( 2.958 7.558 6.080) 10.141 2.632 ( 1.505 -3.039 5.102) 6.127 2.680 ( 2.332 1.269 -2.999) 4.005 2.823 ( 3.841 7.520 -2.391) 8.776 2.968 ( 2.388 5.294 2.093) 6.173 3.063 ( -1.838 4.318 -6.470) 7.993 3.090 ( 1.869 8.160 0.721) 8.402 3.231 ( 0.465 -5.267 4.289) 6.808 3.384 ( -0.536 -0.016 -2.557) 2.613 3.533 ( 2.850 0.603 0.432) 2.945 3.616 ( 1.903 16.032 -5.786) 17.150 3.681 ( 2.284 3.724 -1.489) 4.615 3.752 ( -0.084 2.288 2.215) 3.186 3.819 ( 0.475 2.022 -3.989) 4.497 4.000 ( 1.239 3.370 -2.688) 4.486 4.082 ( -5.300 10.331 9.220) 14.826 4.237 ( 4.364 7.930 0.985) 9.105 4.341 ( 0.354 -2.414 -1.424) 2.825 4.363 ( 4.953 0.066 -1.200) 5.096 4.459 ( 1.747 0.874 -0.701) 2.075 4.582 ( 0.461 -6.659 3.498) 7.536 4.663 ( -5.127 1.634 1.202) 5.514 4.822 ( -2.307 -6.419 -2.503) 7.266 4.909 ( -6.322 -4.747 -3.628) 8.699 5.175 ( 0.409 0.464 -1.625) 1.739 5.286 ( 1.451 -6.461 2.038) 6.928 5.508 ( 0.318 0.005 3.429) 3.444 5.691 ( -3.965 1.697 0.115) 4.315 5.954 ( -4.453 1.173 -2.893) 5.438 6.057 ( 3.905 0.459 6.213) 7.352 6.107 ( -3.827 1.290 -3.082) 5.081 6.403 ( -1.054 2.580 -1.190) 3.030 6.543 ( 7.980 -5.924 -0.008) 9.939 6.606 ( -1.403 2.052 3.498) 4.291 7.004 ( -4.270 -2.380 2.784) 5.626 7.034 ( 3.861 -1.499 -6.460) 7.674 8.067 ( -0.231 7.782 2.117) 8.068 8.430 ( 2.658 2.917 0.972) 4.064 8.758 ( -2.187 3.894 -1.965) 4.879 9.048 ( -4.035 -0.031 -0.355) 4.050 9.991 ( -0.438 -0.392 2.790) 2.851 10.072 ( 0.343 -0.934 -0.932) 1.363 10.254 ( 0.278 -0.736 -0.558) 0.965 10.279 ( -0.527 -2.324 -1.033) 2.597 11.510 ( -0.184 1.797 1.661) 2.453 11.607 ( -0.170 1.408 -2.887) 3.217 12.080 ( 1.581 2.374 2.185) 3.593 12.203 ( -1.892 -1.310 1.378) 2.682 12.601 ( 5.542 4.113 -3.879) 7.917 12.639 ( -4.582 5.381 1.398) 7.204 12.923 ( 3.383 -3.012 0.153) 4.532 13.172 ( -1.729 -10.483 -0.140) 10.626 13.342 ( 2.062 4.187 0.836) 4.742 13.529 ( -5.509 -2.052 -1.645) 6.104 13.832 ( 0.538 -3.193 0.623) 3.298 13.901 ( -1.443 -7.390 -0.204) 7.533 14.158 ( 4.199 -3.167 0.148) 5.262 14.239 ( 0.393 -6.768 -0.509) 6.798 17.587 ( 1.717 -1.273 0.751) 2.265 17.666 ( 1.877 -2.784 -1.508) 3.681 17.913 ( -2.009 2.509 0.856) 3.327 18.041 ( -4.153 0.224 -0.463) 4.184 19.599 ( 0.684 -2.872 0.202) 2.960 19.607 ( 0.610 -3.725 -0.736) 3.846 19.648 ( -0.717 -2.321 1.092) 2.663 19.770 ( -0.711 -3.466 -1.961) 4.046 19.842 ( 1.011 -1.300 0.487) 1.717 19.894 ( -0.783 -2.356 0.392) 2.514 19.992 ( 0.343 1.535 0.416) 1.627 20.025 ( 1.138 0.389 -0.367) 1.258 20.230 ( 1.175 -0.734 0.315) 1.421 20.304 ( -2.203 -1.582 0.435) 2.747 21.017 ( 2.621 -0.781 0.286) 2.750 21.134 ( -0.286 -1.556 -0.063) 1.583 21.356 ( -1.171 -0.197 0.978) 1.539 21.384 ( -1.481 -0.725 -0.762) 1.817 27.444 ( -0.552 0.133 -0.102) 0.577 27.459 ( -0.589 0.107 0.139) 0.614 27.547 ( 0.087 0.418 0.410) 0.592 27.579 ( -0.286 0.400 -0.327) 0.591 28.522 ( 0.243 1.292 0.078) 1.317 28.545 ( 0.067 0.966 -0.112) 0.974 34.876 ( -3.308 9.608 -0.075) 10.162 34.918 ( -4.353 10.051 0.317) 10.958 35.949 ( 6.763 15.209 3.467) 17.002 36.363 ( 10.097 1.736 -4.481) 11.183 38.358 ( 3.258 3.438 -0.010) 4.737 38.588 ( 2.677 15.493 -5.434) 16.636 38.923 ( 20.634 2.238 2.392) 20.892 39.014 ( 17.543 1.948 1.850) 17.748 39.945 ( -0.913 4.990 2.532) 5.670 40.088 ( 2.006 5.362 -5.107) 7.672 40.858 ( -17.670 -12.535 2.223) 21.779 41.261 ( -20.436 -17.539 0.312) 26.932 ======================= Grid point 105 (53/90) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -1.492 0.234 2.702) 3.095 1.570 ( -0.088 5.112 1.135) 5.238 1.639 ( 2.592 5.827 0.843) 6.433 1.779 ( -1.544 9.563 -4.401) 10.639 1.870 ( 0.301 7.998 -2.993) 8.545 2.011 ( -1.913 0.595 -7.258) 7.529 2.158 ( 4.168 11.529 9.189) 15.321 2.447 ( -4.159 -2.968 -3.614) 6.258 2.562 ( 3.842 -2.763 2.440) 5.324 2.774 ( 4.687 3.214 1.991) 6.022 2.852 ( -2.289 1.069 0.445) 2.566 2.973 ( 6.412 10.035 8.510) 14.637 3.014 ( -5.424 10.098 -3.153) 11.888 3.159 ( -4.123 4.453 0.712) 6.110 3.184 ( -1.515 3.678 -1.243) 4.167 3.297 ( 3.886 -1.319 3.178) 5.191 3.412 ( -0.251 5.117 -4.668) 6.930 3.501 ( -7.024 -5.851 -2.780) 9.555 3.695 ( 4.302 -0.364 4.055) 5.922 3.798 ( -1.806 4.335 -2.369) 5.260 3.853 ( -0.947 1.696 -2.597) 3.243 3.897 ( 3.996 2.095 -5.448) 7.074 4.092 ( -1.581 4.684 1.514) 5.170 4.103 ( 0.639 -3.303 -0.901) 3.483 4.261 ( -3.439 -1.137 4.279) 5.606 4.362 ( 4.510 -2.519 4.534) 6.873 4.418 ( 6.472 1.092 -1.328) 6.697 4.540 ( -4.808 2.867 2.238) 6.029 4.549 ( -6.941 -0.461 0.556) 6.978 4.603 ( -0.779 -2.270 -0.952) 2.582 4.706 ( -0.575 2.188 -4.431) 4.975 4.782 ( 3.947 2.201 -4.653) 6.486 5.119 ( -0.622 -7.641 2.595) 8.094 5.193 ( 1.420 -6.239 0.811) 6.450 5.535 ( 1.423 2.313 4.474) 5.234 5.685 ( 3.570 0.933 -0.066) 3.690 5.864 ( -1.481 -3.360 -0.100) 3.673 5.950 ( -3.870 -5.720 -2.330) 7.288 6.266 ( -1.819 9.248 3.523) 10.062 6.490 ( 2.511 6.209 -5.962) 8.967 6.631 ( -0.573 3.781 1.201) 4.008 6.671 ( 5.052 1.726 -1.063) 5.443 6.819 ( -6.475 -0.885 5.016) 8.239 7.020 ( 1.778 -4.358 -3.593) 5.921 8.271 ( 3.542 6.651 4.145) 8.600 8.482 ( -5.619 3.506 -4.418) 7.961 8.813 ( 5.161 -0.480 2.264) 5.656 8.907 ( -2.863 -3.047 -1.640) 4.491 9.969 ( 0.414 -1.434 2.855) 3.222 10.070 ( 0.572 -0.418 -0.472) 0.851 10.202 ( -0.737 -2.029 -0.461) 2.207 10.255 ( -0.156 -0.501 -1.853) 1.925 11.527 ( -1.223 0.826 2.294) 2.728 11.650 ( 2.122 1.545 -2.732) 3.789 12.137 ( -0.507 0.912 1.690) 1.986 12.175 ( 0.098 0.251 -0.112) 0.292 12.666 ( -2.395 5.126 1.261) 5.797 12.756 ( 3.048 3.089 -2.342) 4.931 12.882 ( 0.910 -5.745 1.032) 5.908 12.950 ( -1.749 -6.580 -1.782) 7.037 13.458 ( -2.230 2.679 0.931) 3.608 13.485 ( 2.231 3.132 -0.072) 3.846 13.758 ( -0.350 -4.503 0.235) 4.523 13.766 ( 0.485 -3.940 0.219) 3.976 14.114 ( -0.427 -5.037 0.417) 5.072 14.153 ( 0.235 -2.427 -1.056) 2.658 17.590 ( -0.375 -0.741 0.967) 1.274 17.654 ( 0.548 -1.138 -1.693) 2.112 17.920 ( -0.556 0.719 1.517) 1.768 17.985 ( 0.249 0.191 -1.138) 1.180 19.553 ( -0.360 -2.099 -0.086) 2.131 19.559 ( 0.251 -2.042 -0.369) 2.090 19.615 ( 0.395 -0.633 1.265) 1.469 19.691 ( -0.411 -2.639 -1.951) 3.308 19.829 ( 0.879 -1.445 0.574) 1.786 19.848 ( -0.826 -0.671 -0.128) 1.072 20.035 ( 0.073 0.122 0.555) 0.573 20.041 ( -0.045 1.105 0.422) 1.184 20.233 ( 0.118 0.061 0.529) 0.545 20.261 ( -0.101 -0.770 -0.561) 0.958 21.056 ( 1.858 -0.410 0.408) 1.946 21.079 ( -1.584 -1.185 -0.496) 2.039 21.327 ( -0.859 -0.214 1.179) 1.475 21.378 ( 0.681 -0.005 -0.850) 1.089 27.444 ( 0.308 0.134 0.076) 0.345 27.449 ( -0.336 -0.018 -0.116) 0.356 27.557 ( 0.016 0.232 0.426) 0.486 27.578 ( 0.003 0.031 -0.414) 0.415 28.546 ( -0.040 0.740 0.185) 0.764 28.558 ( 0.007 0.405 -0.269) 0.486 35.014 ( 0.611 6.055 0.289) 6.093 35.031 ( -0.578 6.259 -0.389) 6.297 36.284 ( 1.182 8.327 3.688) 9.184 36.452 ( -1.417 0.918 -2.690) 3.176 38.478 ( 0.696 3.145 1.089) 3.401 38.704 ( -3.332 -0.575 -10.198) 10.744 39.132 ( 0.870 2.720 8.239) 8.720 39.320 ( 0.998 0.124 -1.814) 2.074 40.037 ( -1.365 7.180 3.835) 8.254 40.248 ( 6.237 4.464 -5.646) 9.524 40.494 ( -3.218 -7.692 6.067) 10.311 40.697 ( -0.470 -11.340 -3.084) 11.761 ======================= Grid point 106 (54/90) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.436 2.318 0.712) 4.206 1.578 ( 0.305 3.830 0.383) 3.861 1.716 ( 4.031 7.863 2.370) 9.148 1.749 ( -0.857 1.957 -2.246) 3.100 1.810 ( -5.400 1.434 -4.919) 7.444 1.984 ( 1.247 6.918 -3.732) 7.958 2.327 ( 10.424 9.183 7.574) 15.823 2.384 ( -2.714 1.631 -0.630) 3.229 2.616 ( -2.220 -1.207 3.418) 4.251 2.667 ( -9.368 5.115 -7.524) 13.059 2.807 ( -5.743 0.721 -2.328) 6.238 2.937 ( 5.039 5.327 8.808) 11.460 2.998 ( -2.854 10.721 -1.684) 11.221 3.140 ( -1.814 4.289 2.608) 5.337 3.151 ( -7.697 3.920 2.206) 8.915 3.219 ( -0.367 3.197 2.550) 4.106 3.280 ( -11.829 -11.480 -2.521) 16.675 3.478 ( 0.716 -1.168 -2.529) 2.877 3.703 ( -6.351 3.997 -3.876) 8.446 3.758 ( 0.632 3.636 3.325) 4.968 3.838 ( -0.252 2.543 -0.576) 2.619 3.985 ( 0.180 -2.142 -3.510) 4.116 4.023 ( 1.242 8.457 -3.651) 9.294 4.163 ( 0.784 -4.735 0.662) 4.845 4.180 ( -3.552 -1.836 0.541) 4.035 4.384 ( -5.025 -2.523 -1.456) 5.809 4.409 ( -1.833 0.976 3.244) 3.852 4.462 ( -2.560 3.587 5.585) 7.114 4.530 ( 1.555 -2.430 -2.003) 3.512 4.583 ( 3.855 0.957 4.618) 6.091 4.781 ( 4.150 0.732 -5.509) 6.936 4.874 ( 5.899 3.302 -3.850) 7.780 5.101 ( -1.100 -8.463 2.957) 9.032 5.249 ( 3.247 -3.302 -1.142) 4.770 5.591 ( 2.607 2.792 4.018) 5.544 5.778 ( -1.348 -2.418 -3.000) 4.082 5.800 ( 0.096 -3.315 -0.951) 3.450 5.895 ( 1.927 -5.349 2.431) 6.183 6.190 ( -5.099 5.411 2.000) 7.700 6.570 ( -1.609 -1.313 -2.561) 3.297 6.608 ( 5.253 14.500 -3.687) 15.856 6.688 ( -1.858 -0.285 5.865) 6.159 6.847 ( 6.009 4.498 -1.117) 7.589 7.064 ( 2.634 -3.042 -1.373) 4.252 8.257 ( -5.580 4.408 -0.063) 7.111 8.402 ( -1.341 -0.482 1.846) 2.332 8.830 ( 2.324 2.939 -1.761) 4.140 9.044 ( 9.752 -0.185 0.204) 9.756 9.988 ( 1.008 -0.736 2.586) 2.871 10.083 ( 0.784 -1.125 -0.551) 1.477 10.186 ( -0.794 -1.696 -0.404) 1.916 10.244 ( -0.592 -1.001 -1.624) 1.997 11.498 ( -1.478 1.112 1.509) 2.387 11.710 ( 3.467 1.281 -2.619) 4.530 12.131 ( -0.053 -0.141 1.300) 1.308 12.149 ( -2.613 0.459 0.717) 2.748 12.664 ( 2.163 5.129 -1.705) 5.822 12.770 ( -2.434 2.636 0.073) 3.589 12.872 ( -0.442 -2.719 0.603) 2.819 12.946 ( 1.066 -8.536 0.145) 8.604 13.419 ( -1.176 1.276 -0.928) 1.968 13.519 ( 0.529 3.779 0.785) 3.896 13.768 ( 0.908 -5.334 0.383) 5.424 13.790 ( 2.056 -3.509 0.124) 4.069 14.069 ( -3.635 -2.835 -0.281) 4.619 14.131 ( -2.161 -4.396 -0.284) 4.907 17.558 ( -2.275 -0.828 0.671) 2.512 17.631 ( -2.336 -1.589 -1.225) 3.080 17.948 ( 3.118 1.939 0.977) 3.800 18.040 ( 4.076 -0.473 -0.641) 4.153 19.538 ( -0.996 -1.978 -0.246) 2.228 19.558 ( -0.172 -2.060 0.103) 2.069 19.630 ( 0.570 -1.088 1.066) 1.627 19.681 ( -0.271 -2.410 -1.722) 2.974 19.834 ( -0.287 -0.538 -0.884) 1.074 19.850 ( 0.862 -1.526 0.992) 2.014 20.015 ( -1.521 -0.231 0.675) 1.680 20.040 ( -0.319 1.353 0.224) 1.408 20.236 ( 0.235 0.460 0.379) 0.640 20.266 ( 0.341 -1.034 -0.395) 1.159 21.050 ( -0.874 -0.815 -1.607) 2.003 21.072 ( -0.561 -0.476 1.668) 1.823 21.326 ( 0.773 -0.281 0.492) 0.958 21.394 ( 0.864 -0.395 -0.363) 1.017 27.447 ( 0.187 0.047 -0.197) 0.276 27.459 ( 0.975 0.093 0.186) 0.997 27.556 ( -0.078 0.326 0.323) 0.465 27.580 ( 0.221 -0.136 -0.327) 0.418 28.543 ( -0.240 0.636 0.053) 0.682 28.558 ( 0.022 0.568 -0.099) 0.577 35.047 ( 3.037 6.538 -0.381) 7.219 35.078 ( 4.506 5.608 0.326) 7.201 36.244 ( -5.587 7.516 3.772) 10.096 36.330 ( -9.457 3.384 -2.895) 10.453 38.465 ( -1.945 1.383 2.595) 3.526 38.567 ( -8.269 0.158 -7.199) 10.965 39.032 ( -9.725 6.407 2.913) 12.005 39.122 ( -15.672 1.024 -0.035) 15.705 40.017 ( -0.394 7.070 0.657) 7.111 40.345 ( 1.100 7.572 -2.424) 8.027 40.598 ( 15.520 -10.509 1.773) 18.827 40.924 ( 15.686 -15.123 0.346) 21.791 ======================= Grid point 107 (55/90) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -3.303 1.758 0.097) 3.743 1.575 ( -0.715 0.969 -0.360) 1.257 1.668 ( -3.104 0.598 0.703) 3.238 1.768 ( -0.160 -1.109 -2.165) 2.438 1.796 ( 2.338 8.538 -0.408) 8.861 2.031 ( 3.039 7.333 -1.096) 8.013 2.268 ( -10.164 4.313 -0.451) 11.050 2.354 ( -8.399 3.697 -1.262) 9.263 2.518 ( 5.032 7.502 0.358) 9.040 2.702 ( -2.812 -0.988 -2.486) 3.881 2.744 ( -0.246 -7.988 3.891) 8.889 2.862 ( -7.398 0.575 -5.270) 9.102 2.962 ( -4.100 -0.469 -4.328) 5.980 3.033 ( -0.247 4.504 2.934) 5.381 3.096 ( -2.045 4.703 1.495) 5.342 3.144 ( -0.650 -0.229 7.926) 7.956 3.231 ( 3.247 5.066 7.971) 9.987 3.462 ( -1.304 -2.242 -0.409) 2.626 3.542 ( -6.748 5.269 -5.555) 10.205 3.711 ( -7.320 3.951 -3.601) 9.064 3.796 ( -1.980 3.520 2.175) 4.587 3.952 ( -2.062 -1.830 1.713) 3.246 4.053 ( -0.278 7.089 -3.836) 8.065 4.109 ( -2.523 -3.070 -3.025) 4.994 4.157 ( -0.407 -3.682 -0.883) 3.808 4.288 ( -3.467 -0.084 0.859) 3.573 4.405 ( -1.746 5.120 0.027) 5.410 4.444 ( 2.189 -2.706 3.161) 4.701 4.567 ( 2.166 0.737 2.244) 3.205 4.711 ( 6.173 -2.829 8.048) 10.530 4.805 ( -0.416 -2.412 -7.828) 8.202 4.945 ( -0.475 -1.664 -3.100) 3.550 5.143 ( 5.665 -4.267 1.110) 7.178 5.298 ( 1.661 3.791 -1.743) 4.491 5.619 ( -1.435 -1.832 -1.519) 2.779 5.670 ( -1.966 -1.990 6.504) 7.080 5.894 ( 3.453 -7.465 -4.800) 9.523 5.954 ( 1.466 -3.016 -2.799) 4.368 6.122 ( -0.003 5.221 7.568) 9.195 6.502 ( -3.040 1.511 -2.548) 4.245 6.633 ( -0.841 3.094 3.130) 4.480 6.793 ( 7.031 10.643 -1.966) 12.907 6.946 ( 4.278 8.068 -0.249) 9.136 7.111 ( 1.509 0.311 -0.693) 1.690 8.160 ( -3.080 0.552 -0.268) 3.140 8.325 ( -5.566 -2.354 -0.015) 6.043 8.959 ( 8.317 6.404 1.303) 10.578 9.213 ( 6.280 3.245 -1.156) 7.163 10.011 ( 0.783 0.286 1.436) 1.660 10.098 ( 0.572 -2.067 -1.264) 2.490 10.168 ( -0.765 -0.537 0.554) 1.086 10.233 ( -0.132 -2.272 -0.796) 2.411 11.480 ( -0.390 1.594 2.107) 2.670 11.766 ( 2.047 1.291 -4.191) 4.839 12.077 ( -3.637 0.239 2.935) 4.680 12.147 ( 1.013 -0.702 -1.331) 1.814 12.689 ( -3.813 1.878 1.811) 4.620 12.729 ( 3.024 4.757 -3.409) 6.587 12.879 ( 0.877 -2.116 0.857) 2.446 12.962 ( 0.089 -8.872 0.891) 8.917 13.406 ( -0.430 1.443 0.689) 1.656 13.520 ( 0.254 2.717 -1.307) 3.026 13.784 ( 0.613 -5.593 1.148) 5.743 13.848 ( 3.133 -3.255 -0.157) 4.521 13.980 ( -4.419 -1.572 -0.501) 4.718 14.073 ( -3.295 -5.825 0.001) 6.692 17.516 ( -1.642 -1.220 0.653) 2.147 17.578 ( -2.326 -1.600 -0.989) 2.992 18.028 ( 3.977 2.217 0.897) 4.640 18.118 ( 3.078 -0.253 -0.547) 3.136 19.519 ( -0.690 -2.022 -0.142) 2.141 19.556 ( -0.073 -2.077 0.048) 2.079 19.635 ( -0.053 -1.399 0.815) 1.620 19.676 ( -0.092 -2.290 -0.830) 2.438 19.831 ( 0.181 -0.603 -1.343) 1.483 19.865 ( 0.293 -1.290 0.717) 1.505 19.989 ( -0.967 -0.332 1.006) 1.435 20.028 ( -0.676 1.193 -0.210) 1.387 20.235 ( -0.606 -0.024 1.558) 1.672 20.276 ( 0.961 -0.523 -1.733) 2.049 21.032 ( -1.672 0.184 1.555) 2.291 21.053 ( -0.192 -1.006 -1.358) 1.701 21.352 ( 1.428 -0.477 0.240) 1.524 21.408 ( 0.478 -0.960 -0.155) 1.084 27.455 ( 0.526 0.149 -0.073) 0.551 27.480 ( 0.830 0.134 0.121) 0.849 27.557 ( 0.206 0.320 0.199) 0.429 27.583 ( 0.004 -0.300 -0.244) 0.387 28.539 ( -0.106 0.643 0.041) 0.653 28.557 ( -0.076 0.665 -0.021) 0.669 35.145 ( 6.340 6.381 -0.635) 9.017 35.201 ( 7.048 5.474 0.657) 8.948 36.063 ( -11.874 6.494 -0.729) 13.553 36.105 ( -10.897 6.279 1.405) 12.655 38.367 ( -7.427 2.297 -2.430) 8.145 38.444 ( -1.813 0.901 3.910) 4.403 38.717 ( -16.645 2.248 -0.883) 16.819 38.910 ( -6.423 8.224 -1.429) 10.532 40.027 ( 1.231 7.231 0.781) 7.377 40.372 ( 1.448 8.025 -3.782) 8.989 40.943 ( 15.657 -11.738 1.368) 19.617 41.200 ( 9.725 -17.534 1.359) 20.096 ======================= Grid point 108 (56/90) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 2.608 -3.069 3.025) 5.037 1.576 ( 1.678 -1.679 -3.437) 4.177 1.649 ( -0.111 -1.570 3.070) 3.451 1.749 ( -1.403 -0.830 0.218) 1.645 1.821 ( 0.466 7.257 0.074) 7.272 2.047 ( -5.577 4.982 -4.797) 8.884 2.104 ( 1.758 3.618 2.765) 4.881 2.264 ( -2.117 -0.188 -0.944) 2.326 2.551 ( -0.444 7.398 -1.365) 7.536 2.580 ( -8.097 -8.783 2.734) 12.255 2.648 ( -2.108 -6.052 -4.042) 7.577 2.814 ( -5.784 6.037 -4.152) 9.335 2.831 ( -0.183 -0.920 -3.901) 4.012 3.004 ( -2.381 3.130 -2.283) 4.547 3.117 ( 1.071 0.119 5.796) 5.895 3.257 ( -0.620 1.816 2.548) 3.190 3.338 ( 7.737 6.378 6.643) 12.028 3.428 ( 3.502 6.152 3.206) 7.771 3.515 ( -4.486 7.408 -1.688) 8.824 3.531 ( 1.125 -1.079 -0.539) 1.650 3.767 ( -1.435 5.862 -0.419) 6.049 3.886 ( -4.653 1.680 1.455) 5.156 4.025 ( -0.234 -1.253 1.065) 1.661 4.067 ( -0.701 -0.674 -5.280) 5.368 4.149 ( -0.737 -6.041 -2.773) 6.688 4.259 ( 0.169 0.560 0.932) 1.100 4.379 ( -0.676 7.320 0.201) 7.354 4.475 ( -0.170 -2.898 1.251) 3.161 4.597 ( -0.946 0.264 2.025) 2.251 4.735 ( -3.696 -1.890 -5.098) 6.575 4.824 ( 4.015 -7.851 5.547) 10.418 4.965 ( 3.321 -6.692 -4.401) 8.671 5.240 ( 2.207 1.839 -0.354) 2.894 5.316 ( -0.167 3.839 1.244) 4.039 5.577 ( -1.348 -3.278 4.266) 5.546 5.678 ( 0.744 -0.246 1.405) 1.609 5.903 ( -1.831 -2.437 -3.255) 4.459 5.957 ( 1.345 -6.122 -5.335) 8.231 6.190 ( 2.996 5.405 6.309) 8.831 6.443 ( -2.391 3.084 -3.398) 5.174 6.633 ( 0.504 0.596 5.906) 5.958 6.879 ( 1.904 11.576 -3.347) 12.200 7.042 ( 4.052 6.208 0.662) 7.443 7.112 ( -1.110 4.775 -0.772) 4.963 8.125 ( -0.620 -1.418 0.558) 1.645 8.224 ( -3.262 -0.647 -1.998) 3.880 9.104 ( 4.383 6.010 3.363) 8.163 9.293 ( 1.792 5.950 -2.439) 6.676 10.020 ( -0.031 0.832 0.566) 1.007 10.090 ( -1.099 -1.301 -2.702) 3.194 10.174 ( 1.125 -0.928 2.336) 2.754 10.235 ( 0.212 -2.730 -0.249) 2.750 11.488 ( 0.720 1.643 3.562) 3.988 11.777 ( -0.356 1.465 -5.961) 6.149 12.023 ( -1.623 0.141 3.312) 3.692 12.169 ( 1.304 -0.373 -2.971) 3.265 12.618 ( -3.082 3.156 3.877) 5.872 12.775 ( 1.662 0.639 -4.212) 4.573 12.905 ( 0.481 -4.415 1.029) 4.559 12.957 ( 0.347 -5.695 -0.755) 5.755 13.388 ( -1.573 4.062 4.085) 5.972 13.542 ( 1.934 -0.909 -3.826) 4.382 13.800 ( 0.738 -3.219 2.037) 3.880 13.884 ( -1.281 -1.255 -0.136) 1.798 13.930 ( 1.424 -4.768 -0.150) 4.978 14.004 ( -3.007 -6.345 -0.541) 7.042 17.495 ( -0.505 -1.557 0.733) 1.794 17.542 ( -0.892 -1.414 -0.955) 1.926 18.094 ( 1.912 1.443 1.157) 2.661 18.157 ( 0.826 0.834 -0.791) 1.416 19.512 ( 0.089 -2.264 0.213) 2.276 19.551 ( -0.438 -2.215 -0.615) 2.340 19.637 ( 0.124 -1.392 1.183) 1.831 19.675 ( 0.085 -1.952 -0.283) 1.974 19.838 ( 0.557 -0.754 -1.042) 1.402 19.861 ( -0.686 -1.207 -0.262) 1.413 19.978 ( -0.294 -0.634 1.186) 1.376 20.017 ( -0.246 1.222 -0.383) 1.304 20.219 ( -0.968 -0.114 1.877) 2.115 20.299 ( 1.324 -0.456 -2.421) 2.797 20.988 ( -2.352 0.007 2.903) 3.736 21.067 ( 1.342 -0.536 -2.522) 2.907 21.377 ( 0.853 -0.633 0.429) 1.146 21.411 ( -0.157 -1.240 -0.228) 1.270 27.466 ( 0.490 0.260 0.226) 0.599 27.489 ( 0.037 0.299 -0.138) 0.331 27.564 ( 0.356 -0.049 0.188) 0.405 27.579 ( -0.214 -0.162 -0.266) 0.378 28.539 ( 0.096 0.662 0.205) 0.700 28.555 ( -0.143 0.704 -0.150) 0.734 35.281 ( 5.704 6.109 -0.205) 8.360 35.339 ( 4.464 5.501 0.054) 7.085 35.842 ( -6.640 6.367 -0.085) 9.200 35.903 ( -7.673 7.632 0.820) 10.854 38.266 ( -1.482 3.584 0.456) 3.905 38.440 ( -7.238 -2.619 -2.295) 8.032 38.452 ( -0.144 5.289 6.162) 8.122 38.810 ( -3.001 9.343 -4.781) 10.916 40.063 ( 1.796 7.492 2.634) 8.142 40.374 ( -0.956 8.522 -6.254) 10.614 41.202 ( 8.607 -13.973 2.011) 16.534 41.307 ( 0.598 -16.700 1.193) 16.753 ======================= Grid point 109 (57/90) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.220 -4.441 2.998) 6.251 1.611 ( 1.009 -1.482 -4.001) 4.384 1.640 ( -1.170 -2.366 2.158) 3.410 1.738 ( 1.698 -0.351 1.997) 2.644 1.837 ( 1.252 7.082 1.635) 7.375 1.972 ( -1.973 6.475 -4.537) 8.149 2.180 ( 4.794 1.735 2.497) 5.676 2.305 ( 6.201 0.602 -4.009) 7.408 2.468 ( -2.814 -4.902 4.487) 7.217 2.581 ( -3.743 5.977 -5.567) 8.985 2.585 ( 3.350 0.181 -0.033) 3.355 2.701 ( 0.577 6.194 -7.524) 9.763 2.897 ( 1.038 1.315 1.607) 2.322 2.954 ( 0.083 1.206 -2.030) 2.363 3.113 ( -3.266 -8.979 5.139) 10.849 3.242 ( 1.892 2.043 2.607) 3.815 3.283 ( -5.085 9.862 2.854) 11.457 3.476 ( 2.315 3.550 -1.330) 4.442 3.624 ( 7.382 5.170 5.464) 10.539 3.688 ( 6.866 0.577 2.753) 7.420 3.734 ( -0.625 4.796 -1.386) 5.032 3.801 ( -1.521 5.218 -2.865) 6.144 4.048 ( 1.548 -2.474 -1.122) 3.126 4.076 ( 1.575 -0.606 -3.187) 3.606 4.157 ( 2.274 -6.742 2.279) 7.471 4.263 ( 0.257 -1.207 -1.821) 2.200 4.384 ( 0.975 5.029 -1.149) 5.250 4.424 ( -4.008 2.222 -4.527) 6.441 4.528 ( -3.569 -0.494 6.636) 7.551 4.721 ( 1.283 -5.344 1.356) 5.661 4.901 ( 2.671 -7.883 0.593) 8.344 5.007 ( 0.413 -5.772 -6.828) 8.950 5.218 ( -4.269 4.436 2.932) 6.818 5.281 ( -2.893 1.815 0.740) 3.494 5.594 ( 2.153 0.498 4.259) 4.798 5.685 ( 0.072 -1.519 0.913) 1.773 5.876 ( -0.811 -2.958 -4.145) 5.156 5.957 ( -0.945 -3.258 -3.532) 4.897 6.226 ( 0.465 0.667 6.398) 6.450 6.404 ( -0.752 4.393 -4.020) 6.001 6.650 ( -0.421 4.088 5.548) 6.904 6.898 ( 1.095 6.261 -3.802) 7.406 7.021 ( -5.049 8.092 1.030) 9.593 7.123 ( 0.964 4.934 -0.729) 5.080 8.129 ( 0.917 -0.512 0.865) 1.361 8.203 ( 1.526 -0.791 -2.269) 2.847 9.124 ( -2.833 6.169 3.781) 7.771 9.284 ( -2.413 5.407 -2.894) 6.590 10.009 ( -1.107 0.325 0.536) 1.272 10.066 ( -0.628 -0.697 -1.792) 2.022 10.204 ( 1.307 -1.440 1.718) 2.594 10.238 ( 0.152 -2.262 -0.510) 2.324 11.512 ( 0.961 1.340 4.675) 4.957 11.740 ( -2.249 1.642 -6.937) 7.475 12.022 ( 1.018 0.125 2.948) 3.121 12.193 ( 1.253 -0.537 -2.926) 3.228 12.580 ( -0.751 5.111 3.243) 6.100 12.788 ( -0.099 -1.178 -3.376) 3.577 12.894 ( -0.544 -7.789 0.864) 7.855 12.977 ( 0.489 -2.159 -0.640) 2.304 13.366 ( -0.532 5.137 3.259) 6.107 13.571 ( 0.884 -3.355 -3.047) 4.618 13.800 ( -1.134 0.047 2.087) 2.375 13.881 ( 0.850 -1.866 -0.032) 2.051 13.928 ( -0.964 -5.888 -0.211) 5.970 14.004 ( 2.862 -6.429 -0.556) 7.059 17.497 ( 0.630 -1.550 0.812) 1.860 17.540 ( 0.815 -1.431 -1.034) 1.945 18.097 ( -1.836 1.374 1.201) 2.589 18.156 ( -0.786 0.881 -0.836) 1.446 19.521 ( 0.591 -2.170 0.551) 2.315 19.539 ( -0.467 -2.460 -0.900) 2.661 19.640 ( -0.054 -1.050 1.059) 1.492 19.682 ( 0.592 -2.030 -0.180) 2.122 19.834 ( -1.097 -1.051 -0.953) 1.793 19.858 ( 0.828 -1.003 -0.404) 1.362 19.977 ( 0.100 -0.511 1.216) 1.323 20.018 ( 0.296 1.148 -0.394) 1.250 20.206 ( -0.352 0.006 1.325) 1.371 20.317 ( 0.488 -0.738 -1.888) 2.085 20.955 ( -0.858 -0.165 1.801) 2.002 21.094 ( 1.384 -0.276 -1.403) 1.991 21.385 ( -0.227 -0.637 0.727) 0.993 21.403 ( -0.593 -1.282 -0.523) 1.506 27.472 ( -0.052 0.333 0.428) 0.545 27.483 ( -0.453 0.235 -0.341) 0.614 27.563 ( -0.458 -0.024 0.152) 0.483 27.581 ( 0.295 -0.169 -0.229) 0.410 28.542 ( 0.079 0.794 0.283) 0.847 28.553 ( 0.005 0.572 -0.228) 0.616 35.300 ( -6.648 5.819 -0.618) 8.857 35.313 ( -3.718 5.846 0.473) 6.944 35.856 ( 4.943 8.128 -0.321) 9.519 35.898 ( 9.732 5.546 1.051) 11.250 38.318 ( 5.050 1.169 2.180) 5.624 38.331 ( -0.109 1.990 -1.090) 2.271 38.551 ( 7.520 3.478 5.142) 9.751 38.774 ( 0.189 9.325 -6.726) 11.499 40.097 ( 0.975 7.525 4.402) 8.772 40.316 ( -3.631 7.717 -7.865) 11.601 41.208 ( -8.230 -13.279 1.852) 15.732 41.312 ( -0.274 -16.540 1.231) 16.588 ======================= Grid point 110 (58/90) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.872 3.146 0.128) 4.262 1.594 ( -1.868 -1.746 0.663) 2.641 1.636 ( 0.128 0.666 -0.654) 0.942 1.802 ( 1.864 4.317 0.490) 4.727 1.873 ( 2.722 7.341 -2.765) 8.303 1.938 ( 0.267 4.081 -0.956) 4.200 2.207 ( -5.837 12.246 -1.586) 13.659 2.398 ( 6.002 5.609 -4.452) 9.344 2.482 ( 3.845 -1.864 4.254) 6.030 2.612 ( 5.684 5.071 -0.350) 7.625 2.679 ( 0.064 5.197 2.364) 5.710 2.778 ( 9.198 0.039 -2.876) 9.637 2.879 ( 1.572 -6.980 0.038) 7.155 3.029 ( 5.401 -0.763 0.354) 5.466 3.082 ( 0.756 -5.574 1.774) 5.898 3.181 ( -2.144 4.190 3.330) 5.766 3.364 ( 5.638 6.769 7.276) 11.426 3.518 ( 0.317 2.296 -2.910) 3.720 3.664 ( -0.671 -0.401 -2.513) 2.631 3.752 ( 4.641 3.011 0.269) 5.538 3.811 ( 4.827 7.547 -4.146) 9.871 3.854 ( 2.826 0.818 2.612) 3.935 4.057 ( -0.748 -1.534 -3.847) 4.209 4.112 ( 2.445 -1.763 -1.209) 3.248 4.209 ( 1.338 -4.407 0.311) 4.616 4.291 ( 2.897 -2.395 -1.069) 3.908 4.297 ( -4.839 -2.197 -1.756) 5.598 4.463 ( 3.435 5.513 4.147) 7.706 4.506 ( 1.562 4.504 5.508) 7.284 4.738 ( -0.777 -4.812 3.014) 5.731 4.905 ( -2.768 -4.589 -3.661) 6.490 4.951 ( -5.085 -2.110 -6.615) 8.606 5.139 ( -1.703 -0.845 3.015) 3.564 5.210 ( -3.662 2.209 -0.211) 4.282 5.591 ( -2.588 3.502 0.140) 4.357 5.744 ( 2.829 -3.891 2.882) 5.608 5.821 ( -1.851 -3.410 -1.511) 4.164 5.940 ( -0.348 -3.590 -2.341) 4.300 6.258 ( 1.828 -4.408 7.757) 9.107 6.402 ( 1.232 5.926 -4.584) 7.593 6.615 ( -2.979 9.883 0.981) 10.369 6.870 ( -6.635 4.760 -0.862) 8.211 6.943 ( 0.613 5.454 0.070) 5.488 7.100 ( -3.168 1.886 -0.952) 3.808 8.162 ( 1.953 3.105 -0.356) 3.685 8.278 ( 6.012 -3.115 0.118) 6.772 9.016 ( -7.342 7.182 1.780) 10.423 9.186 ( -6.615 1.528 -1.673) 6.992 9.983 ( -1.236 -0.874 1.168) 1.912 10.059 ( -0.011 -0.337 -0.692) 0.769 10.222 ( 0.152 -2.390 0.552) 2.458 10.243 ( 0.552 -0.912 -1.096) 1.529 11.533 ( 0.440 1.114 4.510) 4.666 11.681 ( -2.396 1.651 -6.332) 6.969 12.063 ( 2.474 0.490 1.843) 3.124 12.203 ( -0.262 -1.009 -0.462) 1.140 12.604 ( 2.848 5.890 -0.048) 6.542 12.769 ( -1.083 -0.227 -1.468) 1.838 12.887 ( -0.998 -2.387 0.704) 2.681 12.968 ( -0.531 -7.329 0.938) 7.408 13.382 ( 1.724 4.594 0.287) 4.915 13.564 ( -1.323 -2.159 -0.939) 2.700 13.777 ( -1.075 -1.663 1.118) 2.274 13.840 ( -2.996 -4.075 -0.174) 5.061 13.992 ( 4.916 -2.537 -0.425) 5.548 14.067 ( 3.118 -6.101 -0.008) 6.852 17.523 ( 1.747 -1.163 0.865) 2.270 17.571 ( 2.198 -1.662 -1.197) 3.005 18.035 ( -3.865 2.130 0.952) 4.515 18.116 ( -3.057 -0.237 -0.606) 3.125 19.532 ( 0.320 -2.082 -0.351) 2.135 19.538 ( 0.648 -2.077 0.221) 2.187 19.634 ( -0.595 -0.783 0.664) 1.187 19.695 ( 0.574 -2.757 -0.644) 2.889 19.814 ( -0.559 -1.245 -0.847) 1.606 19.871 ( 0.272 -0.648 0.182) 0.726 19.989 ( 1.025 -0.071 1.149) 1.542 20.026 ( 0.438 1.033 -0.312) 1.165 20.208 ( 0.394 -0.013 0.587) 0.707 20.311 ( -0.950 -0.936 -0.767) 1.538 20.962 ( 1.350 -0.257 0.322) 1.411 21.114 ( 0.462 -0.429 -0.116) 0.641 21.372 ( -0.960 -0.384 0.758) 1.282 21.387 ( -0.821 -1.122 -0.674) 1.545 27.461 ( -0.804 0.284 -0.176) 0.870 27.474 ( -0.530 0.022 0.223) 0.576 27.555 ( -0.217 0.327 0.177) 0.430 27.584 ( -0.003 -0.274 -0.221) 0.352 28.543 ( 0.034 0.933 0.054) 0.935 28.555 ( 0.173 0.372 -0.035) 0.411 35.145 ( -6.862 5.985 -0.663) 9.129 35.196 ( -6.338 5.915 0.683) 8.696 36.019 ( 9.357 8.830 -0.019) 12.865 36.158 ( 13.249 2.803 0.701) 13.560 38.350 ( 3.299 2.512 -0.978) 4.260 38.531 ( 12.276 -1.887 3.170) 12.818 38.772 ( 12.396 5.988 0.931) 13.798 38.807 ( 5.070 8.381 -4.023) 10.589 40.105 ( -1.052 7.304 4.354) 8.568 40.225 ( -3.407 5.788 -6.958) 9.671 40.964 ( -14.861 -10.332 1.074) 18.131 41.213 ( -9.579 -16.513 1.319) 19.136 ======================= Grid point 111 (59/90) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.015 -0.499 4.058) 4.558 1.579 ( 1.603 1.152 -2.645) 3.300 1.606 ( -1.543 9.752 0.323) 9.879 1.798 ( -0.447 9.574 -2.287) 9.853 1.895 ( -1.381 6.972 -7.268) 10.165 1.999 ( 3.720 0.472 -2.664) 4.600 2.115 ( -1.156 14.840 7.296) 16.577 2.472 ( 3.834 -1.299 -1.229) 4.231 2.575 ( -7.248 -0.012 0.576) 7.271 2.644 ( 7.824 6.584 2.648) 10.563 2.758 ( 9.185 6.613 0.793) 11.346 2.886 ( 0.244 -2.218 0.029) 2.232 3.049 ( 10.671 -6.520 0.951) 12.542 3.089 ( 0.765 5.283 1.483) 5.540 3.136 ( 2.742 3.323 1.480) 4.555 3.256 ( 6.890 3.033 -0.953) 7.588 3.416 ( -2.695 4.539 -1.393) 5.460 3.529 ( 4.273 0.837 3.133) 5.364 3.675 ( -1.692 -2.561 0.163) 3.074 3.820 ( 0.589 4.809 -3.071) 5.736 3.844 ( 0.693 1.337 0.457) 1.573 3.888 ( -0.048 5.358 -3.710) 6.517 4.031 ( 0.831 0.029 -4.164) 4.246 4.165 ( 0.075 -1.087 0.588) 1.238 4.247 ( 4.564 -1.018 -1.687) 4.971 4.256 ( 1.392 -8.049 2.418) 8.519 4.363 ( 1.932 -0.630 3.034) 3.652 4.493 ( 2.121 5.429 4.699) 7.487 4.604 ( 3.866 3.641 1.019) 5.407 4.680 ( -4.630 -3.609 3.107) 6.642 4.797 ( -7.527 1.352 -4.740) 8.997 4.811 ( -4.845 0.805 -6.423) 8.086 5.134 ( -1.274 -5.312 2.097) 5.851 5.172 ( 0.945 -2.152 0.331) 2.374 5.541 ( -1.903 1.855 2.310) 3.521 5.677 ( -3.394 -1.715 -0.630) 3.855 5.887 ( 1.132 -7.029 -0.798) 7.164 5.947 ( 2.463 -2.903 0.815) 3.893 6.282 ( -0.562 4.951 4.483) 6.703 6.461 ( 3.959 0.419 -4.109) 5.721 6.560 ( -0.670 9.694 -1.298) 9.803 6.728 ( -5.903 8.425 1.672) 10.422 6.942 ( -3.127 -3.461 1.991) 5.072 7.017 ( -2.474 -0.601 -3.371) 4.224 8.203 ( 2.349 5.393 0.251) 5.887 8.440 ( 8.327 -1.385 1.523) 8.578 8.848 ( -7.998 5.155 -1.846) 9.693 9.032 ( -7.475 -1.955 0.308) 7.733 9.967 ( -0.495 -1.546 2.225) 2.754 10.061 ( 0.283 -0.232 -0.385) 0.531 10.216 ( -0.556 -2.396 -0.217) 2.470 10.254 ( 0.432 -0.357 -1.613) 1.707 11.538 ( -0.311 1.106 3.325) 3.518 11.640 ( -0.711 1.468 -4.278) 4.578 12.117 ( 2.283 1.331 0.814) 2.766 12.184 ( -1.262 -0.660 1.104) 1.802 12.681 ( 4.241 4.050 -2.919) 6.551 12.732 ( -3.039 3.385 1.279) 4.726 12.862 ( -0.187 -2.470 0.563) 2.540 12.972 ( 0.098 -8.811 0.134) 8.813 13.427 ( 2.517 3.826 -1.050) 4.698 13.519 ( -2.800 0.768 0.943) 3.053 13.763 ( -0.367 -3.955 0.384) 3.990 13.786 ( -2.063 -3.624 0.056) 4.171 14.083 ( 3.301 -4.202 -0.152) 5.345 14.125 ( 2.352 -3.670 -0.380) 4.375 17.566 ( 2.085 -0.765 0.948) 2.414 17.621 ( 2.504 -1.607 -1.481) 3.323 17.958 ( -3.238 1.866 1.049) 3.881 18.037 ( -4.045 -0.510 -0.735) 4.143 19.545 ( 0.895 -1.978 -0.392) 2.206 19.552 ( 0.494 -1.919 0.198) 1.991 19.620 ( -0.771 -0.684 0.741) 1.269 19.699 ( -0.065 -3.029 -1.465) 3.365 19.813 ( 0.503 -1.339 -0.016) 1.431 19.866 ( -0.736 -0.573 0.223) 0.959 20.017 ( 1.296 0.446 0.773) 1.573 20.035 ( 0.489 0.833 0.144) 0.977 20.221 ( 0.765 -0.217 0.189) 0.818 20.282 ( -1.563 -0.751 -0.199) 1.745 21.005 ( 2.632 -0.351 -0.319) 2.674 21.109 ( -1.007 -0.919 0.376) 1.414 21.350 ( -1.311 -0.338 1.319) 1.890 21.373 ( -0.216 -0.347 -1.187) 1.256 27.447 ( -0.488 0.161 -0.168) 0.541 27.461 ( -0.702 -0.016 0.155) 0.719 27.554 ( 0.094 0.346 0.303) 0.470 27.581 ( -0.211 -0.123 -0.305) 0.391 28.544 ( 0.127 0.894 0.064) 0.905 28.558 ( 0.063 0.307 -0.111) 0.332 35.039 ( -3.190 6.100 -0.263) 6.889 35.085 ( -4.252 6.059 0.208) 7.404 36.195 ( 6.830 8.908 1.861) 11.378 36.386 ( 7.829 0.495 -0.961) 7.904 38.430 ( 3.690 3.588 -0.039) 5.147 38.716 ( 3.731 -2.276 -7.276) 8.488 38.964 ( 11.768 5.757 5.634) 14.261 39.102 ( 16.188 3.430 -0.077) 16.548 40.064 ( -2.330 6.616 1.766) 7.233 40.194 ( 0.874 4.145 -2.726) 5.037 40.648 ( -13.878 -7.261 0.976) 15.693 40.940 ( -15.845 -14.024 0.348) 21.162 ======================= Grid point 112 (60/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.802 0.000 2.413) 2.543 1.591 ( 0.318 0.000 -1.059) 1.106 1.732 ( 1.916 0.000 3.123) 3.664 1.896 ( -1.753 -0.000 -4.735) 5.049 1.927 ( -4.832 0.000 -3.754) 6.119 2.019 ( 1.553 0.000 -7.086) 7.254 2.323 ( 4.278 0.000 0.703) 4.335 2.401 ( -3.809 -0.000 -1.992) 4.298 2.514 ( 2.375 -0.000 7.801) 8.154 2.781 ( -1.992 0.000 -2.974) 3.580 2.865 ( 4.850 0.000 8.215) 9.540 3.051 ( 3.213 0.000 1.611) 3.594 3.187 ( 2.208 0.000 1.926) 2.930 3.222 ( 3.799 0.000 3.202) 4.968 3.223 ( 3.240 -0.000 3.305) 4.629 3.325 ( -6.067 -0.000 -5.792) 8.388 3.361 ( -10.609 0.000 -0.170) 10.610 3.466 ( -4.548 0.000 -5.489) 7.129 3.686 ( 6.219 0.000 6.312) 8.861 3.842 ( -3.259 0.000 -1.490) 3.583 3.890 ( 2.863 0.000 -4.822) 5.608 3.895 ( 0.459 -0.000 -5.257) 5.277 4.030 ( 2.685 0.000 2.436) 3.625 4.127 ( -0.416 0.000 -1.379) 1.440 4.258 ( -7.216 0.000 4.201) 8.350 4.342 ( 4.741 0.000 2.408) 5.317 4.432 ( 8.515 0.000 -1.316) 8.617 4.541 ( -9.635 0.000 -2.533) 9.962 4.563 ( -4.574 0.000 4.465) 6.392 4.588 ( 3.190 0.000 1.089) 3.370 4.739 ( 0.858 0.000 -1.791) 1.986 4.839 ( 2.104 -0.000 -7.250) 7.549 5.047 ( -1.697 0.000 1.161) 2.057 5.085 ( 0.076 -0.000 1.924) 1.925 5.561 ( 2.571 0.000 4.681) 5.341 5.714 ( 4.673 0.000 4.424) 6.435 5.795 ( -1.633 -0.000 -4.428) 4.720 5.890 ( -4.598 0.000 -2.514) 5.240 6.370 ( -1.727 0.000 2.354) 2.920 6.540 ( 3.832 0.000 -4.927) 6.241 6.647 ( -0.473 -0.000 3.540) 3.572 6.749 ( -3.185 0.000 1.132) 3.380 6.856 ( 2.648 0.000 -0.350) 2.671 6.935 ( -0.864 0.000 -2.276) 2.434 8.342 ( 3.977 0.000 3.243) 5.132 8.518 ( -6.702 0.000 -3.941) 7.775 8.805 ( 6.675 0.000 1.805) 6.915 8.870 ( -3.841 0.000 -0.980) 3.964 9.951 ( 0.609 0.000 2.939) 3.001 10.066 ( 0.369 0.000 -0.817) 0.896 10.181 ( -0.613 0.000 -0.084) 0.619 10.250 ( -0.277 0.000 -2.026) 2.045 11.536 ( -1.258 0.000 2.434) 2.740 11.666 ( 2.065 0.000 -2.820) 3.496 12.150 ( -1.255 0.000 1.085) 1.659 12.174 ( 0.737 0.000 -0.111) 0.745 12.750 ( -2.857 0.000 0.813) 2.970 12.790 ( 1.598 0.000 0.814) 1.794 12.803 ( 2.929 0.000 -0.938) 3.075 12.869 ( -1.703 0.000 -1.872) 2.530 13.490 ( -3.059 0.000 1.014) 3.223 13.528 ( 3.407 0.000 -0.444) 3.435 13.693 ( -0.826 0.000 0.931) 1.245 13.734 ( 0.407 0.000 -0.660) 0.775 14.057 ( 0.075 0.000 1.281) 1.284 14.127 ( -0.120 0.000 -1.439) 1.444 17.582 ( -0.365 0.000 0.931) 1.000 17.643 ( 0.508 0.000 -1.528) 1.610 17.928 ( -0.472 0.000 1.359) 1.439 17.987 ( 0.213 0.000 -1.038) 1.059 19.532 ( -0.378 0.000 -0.064) 0.384 19.538 ( 0.227 0.000 -0.349) 0.417 19.611 ( 0.258 0.000 0.845) 0.883 19.661 ( -0.204 0.000 -1.248) 1.265 19.814 ( 0.895 0.000 0.694) 1.133 19.842 ( -0.891 0.000 -0.571) 1.058 20.032 ( -0.301 0.000 1.085) 1.126 20.055 ( 0.264 0.000 0.118) 0.290 20.234 ( 0.643 0.000 0.166) 0.664 20.252 ( -0.506 0.000 -0.515) 0.722 21.051 ( 1.897 0.000 0.237) 1.911 21.067 ( -1.621 0.000 -0.359) 1.660 21.324 ( -0.812 0.000 1.223) 1.468 21.377 ( 0.632 0.000 -0.886) 1.088 27.446 ( 0.302 0.000 0.032) 0.304 27.449 ( -0.324 0.000 -0.105) 0.341 27.559 ( 0.008 0.000 0.377) 0.377 27.578 ( 0.000 0.000 -0.378) 0.378 28.554 ( -0.207 0.000 0.091) 0.226 28.561 ( 0.175 -0.000 -0.168) 0.243 35.077 ( 0.756 0.000 0.262) 0.800 35.096 ( -0.724 0.000 -0.514) 0.888 36.369 ( 0.707 0.000 2.722) 2.812 36.461 ( -0.510 0.000 -0.759) 0.915 38.517 ( -0.452 -0.000 -0.052) 0.455 38.676 ( -2.465 0.000 -8.563) 8.911 39.174 ( 1.462 0.000 6.765) 6.922 39.318 ( 0.294 0.000 -1.066) 1.106 40.167 ( -3.223 0.000 2.764) 4.246 40.236 ( 8.030 -0.000 0.286) 8.035 40.495 ( 4.309 0.000 -0.773) 4.378 40.504 ( -8.118 0.000 -1.318) 8.224 ======================= Grid point 114 (61/90) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -2.399 0.000 1.305) 2.731 1.603 ( 0.597 -0.000 -0.224) 0.638 1.782 ( -6.809 -0.000 -1.204) 6.915 1.811 ( -4.564 0.000 -5.169) 6.896 1.815 ( 4.231 -0.000 2.197) 4.768 2.058 ( 2.826 0.000 -4.684) 5.470 2.403 ( 2.216 -0.000 -3.297) 3.972 2.471 ( 7.928 0.000 2.650) 8.359 2.541 ( 0.382 -0.000 7.008) 7.018 2.694 ( -4.890 0.000 -2.834) 5.652 2.900 ( -15.611 0.000 -1.963) 15.734 3.019 ( -7.708 -0.000 -3.797) 8.593 3.022 ( 2.956 0.000 12.437) 12.783 3.117 ( -10.605 0.000 -3.139) 11.060 3.189 ( -1.568 0.000 2.491) 2.943 3.224 ( -5.702 0.000 -0.602) 5.734 3.360 ( 0.373 0.000 3.036) 3.059 3.386 ( -1.305 -0.000 -1.672) 2.121 3.737 ( -5.257 -0.000 -4.140) 6.692 3.800 ( 2.774 0.000 5.868) 6.490 3.884 ( -5.098 0.000 -1.225) 5.243 3.913 ( 1.406 0.000 -2.644) 2.995 4.115 ( 0.377 0.000 -3.345) 3.366 4.125 ( 0.679 0.000 2.958) 3.035 4.166 ( 2.228 -0.000 -2.895) 3.653 4.328 ( -6.865 -0.000 -5.359) 8.709 4.373 ( -2.023 -0.000 0.632) 2.120 4.473 ( -3.549 0.000 4.648) 5.848 4.524 ( 1.929 0.000 5.748) 6.063 4.649 ( 2.961 0.000 0.499) 3.003 4.841 ( -2.128 0.000 -5.155) 5.577 4.890 ( 11.258 -0.000 -1.550) 11.364 5.014 ( -2.598 0.000 0.715) 2.694 5.184 ( 8.404 -0.000 1.346) 8.511 5.625 ( 2.251 0.000 5.670) 6.100 5.733 ( -7.990 0.000 -3.524) 8.733 5.769 ( -0.440 0.000 -6.127) 6.143 5.833 ( 5.862 0.000 4.229) 7.228 6.260 ( -6.789 0.000 3.631) 7.699 6.553 ( -1.764 0.000 -3.547) 3.961 6.670 ( 0.392 0.000 1.840) 1.881 6.803 ( 6.852 0.000 -1.550) 7.025 6.940 ( 5.048 0.000 1.682) 5.321 6.986 ( 5.553 -0.000 -1.808) 5.840 8.310 ( -9.537 -0.000 -2.531) 9.868 8.381 ( -1.788 0.000 3.656) 4.070 8.871 ( 4.976 0.000 -1.630) 5.236 9.034 ( 11.789 0.000 0.550) 11.802 9.978 ( 1.558 0.000 2.992) 3.374 10.070 ( 0.163 0.000 -1.454) 1.464 10.168 ( -0.488 0.000 0.455) 0.667 10.234 ( -1.007 0.000 -2.041) 2.276 11.511 ( -1.234 0.000 1.821) 2.200 11.723 ( 3.298 0.000 -2.697) 4.261 12.135 ( -0.118 0.000 -0.042) 0.125 12.149 ( -3.011 0.000 1.263) 3.265 12.746 ( 2.365 -0.000 -1.944) 3.062 12.798 ( -4.220 0.000 -1.772) 4.577 12.813 ( 0.357 0.000 1.638) 1.676 12.858 ( 1.830 0.000 1.839) 2.594 13.434 ( -1.833 0.000 -1.422) 2.319 13.581 ( 1.151 0.000 1.378) 1.795 13.684 ( -0.040 0.000 0.593) 0.595 13.762 ( 2.323 0.000 -0.499) 2.376 14.036 ( -2.157 0.000 1.015) 2.384 14.086 ( -3.514 0.000 -1.196) 3.712 17.549 ( -2.415 0.000 0.728) 2.522 17.615 ( -2.477 0.000 -1.185) 2.745 17.970 ( 3.731 0.000 1.165) 3.908 18.033 ( 3.739 -0.000 -0.874) 3.840 19.518 ( -0.929 0.000 -0.214) 0.953 19.537 ( -0.168 0.000 0.140) 0.219 19.621 ( 0.327 0.000 0.640) 0.719 19.655 ( -0.210 -0.000 -1.190) 1.208 19.828 ( -0.336 0.000 -1.300) 1.343 19.835 ( 0.996 0.000 1.187) 1.550 20.012 ( -1.480 0.000 1.131) 1.863 20.054 ( -0.411 0.000 -0.015) 0.411 20.242 ( -0.013 -0.000 0.933) 0.933 20.253 ( 0.609 0.000 -1.174) 1.323 21.041 ( -0.624 -0.000 -1.897) 1.996 21.068 ( -0.554 0.000 1.923) 2.001 21.323 ( 0.665 0.000 0.509) 0.837 21.390 ( 0.587 0.000 -0.402) 0.712 27.448 ( 0.239 0.000 -0.242) 0.341 27.460 ( 0.968 -0.000 0.196) 0.987 27.560 ( 0.064 0.000 0.383) 0.389 27.577 ( 0.008 0.000 -0.394) 0.394 28.549 ( -0.250 0.000 -0.005) 0.250 28.564 ( 0.083 0.000 -0.039) 0.092 35.118 ( 2.962 0.000 -0.983) 3.121 35.132 ( 4.410 0.000 0.771) 4.477 36.321 ( -5.509 0.000 2.667) 6.120 36.362 ( -8.594 -0.000 -1.200) 8.678 38.474 ( -3.073 -0.000 1.360) 3.360 38.565 ( -6.878 0.000 -5.391) 8.739 39.116 ( -5.890 0.000 2.555) 6.420 39.119 ( -16.939 -0.000 -0.522) 16.947 40.113 ( -1.370 0.000 -0.086) 1.373 40.397 ( 3.833 -0.000 3.435) 5.147 40.551 ( 13.624 0.000 -6.103) 14.929 40.713 ( 13.596 -0.000 3.268) 13.984 ======================= Grid point 116 (62/90) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -4.796 0.000 1.397) 4.995 1.583 ( -2.593 0.000 -0.595) 2.660 1.669 ( -3.326 0.000 1.899) 3.830 1.750 ( -0.502 0.000 -4.667) 4.694 1.896 ( 2.095 0.000 1.866) 2.806 2.114 ( 2.546 0.000 -2.902) 3.861 2.371 ( -5.498 -0.000 2.025) 5.859 2.408 ( -12.899 0.000 -0.703) 12.918 2.560 ( -12.676 -0.000 -1.779) 12.800 2.631 ( 7.578 0.000 -1.061) 7.652 2.681 ( -2.033 -0.000 2.363) 3.117 2.769 ( -9.054 0.000 -4.869) 10.280 3.071 ( -7.562 -0.001 3.494) 8.330 3.072 ( 6.775 0.001 -5.582) 8.778 3.129 ( -1.235 -0.000 6.043) 6.168 3.135 ( -1.906 0.000 0.880) 2.099 3.363 ( 4.270 -0.000 1.854) 4.655 3.376 ( -0.323 0.000 8.179) 8.185 3.616 ( -6.220 -0.000 -5.060) 8.019 3.737 ( -6.897 0.000 -2.627) 7.380 3.838 ( 0.308 -0.000 3.272) 3.287 3.916 ( -1.145 0.000 1.264) 1.706 4.068 ( -4.259 0.000 0.710) 4.318 4.102 ( -5.134 0.000 -1.930) 5.485 4.146 ( 1.734 0.000 -8.363) 8.540 4.300 ( -3.730 0.000 -1.769) 4.128 4.386 ( 6.110 0.000 -4.740) 7.732 4.429 ( -1.226 -0.000 7.011) 7.118 4.580 ( 2.521 -0.000 7.238) 7.664 4.725 ( 1.819 0.000 3.314) 3.781 4.782 ( 0.378 0.000 -7.375) 7.384 4.915 ( -6.999 0.000 0.534) 7.019 5.106 ( 8.936 -0.000 -1.221) 9.019 5.340 ( 4.921 0.000 2.806) 5.665 5.582 ( -4.899 0.000 -1.068) 5.014 5.660 ( 0.890 0.000 3.207) 3.328 5.802 ( 3.600 0.000 -5.044) 6.197 5.923 ( 1.027 0.000 -3.259) 3.417 6.182 ( 0.400 0.000 8.989) 8.998 6.508 ( -1.858 0.000 -3.518) 3.978 6.655 ( -1.691 0.000 1.966) 2.593 6.933 ( 5.082 0.000 -4.062) 6.506 7.050 ( 4.943 0.000 2.511) 5.544 7.107 ( 5.212 -0.000 -0.677) 5.256 8.160 ( -4.744 -0.000 -0.112) 4.746 8.300 ( -4.919 0.000 -0.289) 4.927 9.029 ( 8.433 0.000 1.762) 8.615 9.245 ( 8.223 0.000 -1.426) 8.346 10.018 ( 1.805 0.000 2.163) 2.817 10.068 ( -0.133 0.000 -1.945) 1.949 10.166 ( 0.170 0.000 1.193) 1.206 10.207 ( -1.250 0.000 -1.517) 1.966 11.497 ( -0.283 0.000 2.420) 2.437 11.778 ( 2.117 0.000 -4.131) 4.642 12.076 ( -3.687 0.000 2.504) 4.457 12.143 ( 0.878 0.000 -1.568) 1.797 12.707 ( -3.795 0.000 -0.377) 3.814 12.803 ( -1.395 -0.000 0.194) 1.408 12.828 ( 5.031 0.000 -3.447) 6.099 12.873 ( -0.721 0.000 4.317) 4.377 13.422 ( 0.762 0.000 -1.893) 2.041 13.573 ( -1.924 0.000 1.896) 2.701 13.700 ( 1.771 -0.000 0.569) 1.860 13.818 ( 2.807 0.000 -0.464) 2.845 13.979 ( -3.096 0.000 -0.047) 3.096 13.996 ( -4.711 -0.000 -0.251) 4.717 17.504 ( -1.858 0.000 0.738) 1.999 17.562 ( -2.234 0.000 -1.023) 2.458 18.053 ( 3.658 0.000 1.187) 3.846 18.112 ( 3.577 -0.000 -0.875) 3.683 19.499 ( -0.780 0.000 -0.133) 0.791 19.535 ( -0.091 0.000 0.199) 0.219 19.622 ( -0.124 0.000 0.560) 0.574 19.652 ( 0.010 0.000 -0.660) 0.660 19.825 ( 0.148 0.000 -1.747) 1.753 19.852 ( 0.394 0.000 0.874) 0.958 19.985 ( -1.134 0.000 1.550) 1.920 20.041 ( -0.681 0.000 -0.463) 0.824 20.235 ( -0.821 -0.000 1.658) 1.850 20.271 ( 1.194 0.000 -1.917) 2.258 21.038 ( -2.398 0.000 2.991) 3.833 21.040 ( 0.755 0.000 -2.862) 2.960 21.347 ( 1.342 0.000 0.159) 1.351 21.398 ( 0.236 0.000 -0.127) 0.268 27.457 ( 0.593 0.000 -0.111) 0.603 27.481 ( 0.923 -0.000 0.121) 0.931 27.562 ( 0.068 0.000 0.363) 0.370 27.577 ( -0.013 0.000 -0.397) 0.398 28.545 ( -0.099 0.000 0.034) 0.104 28.564 ( -0.035 0.000 -0.020) 0.040 35.213 ( 6.124 0.000 -1.033) 6.211 35.254 ( 7.098 -0.000 0.881) 7.153 36.133 ( -12.514 0.000 -0.922) 12.548 36.164 ( -9.391 -0.000 1.693) 9.543 38.413 ( -6.622 0.000 -1.978) 6.911 38.421 ( -1.907 -0.000 3.281) 3.795 38.747 ( -16.835 0.000 0.277) 16.837 38.994 ( -5.298 0.000 -2.271) 5.764 40.114 ( 1.180 0.000 0.445) 1.261 40.469 ( 2.815 0.000 -3.253) 4.302 40.844 ( 13.156 0.000 -1.136) 13.204 40.974 ( 10.075 -0.000 3.838) 10.781 ======================= Grid point 118 (63/90) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.766 0.000 4.463) 4.528 1.554 ( 1.275 0.000 -4.275) 4.462 1.629 ( -1.350 0.000 3.101) 3.382 1.735 ( -1.371 0.000 -1.459) 2.002 1.903 ( -0.836 -0.000 2.064) 2.227 2.112 ( -2.688 0.000 -4.590) 5.320 2.183 ( -5.250 0.000 0.729) 5.300 2.259 ( -2.509 -0.000 -1.568) 2.959 2.421 ( -2.528 -0.000 4.634) 5.279 2.576 ( -4.098 0.000 -1.749) 4.455 2.658 ( -2.766 0.000 -1.178) 3.007 2.801 ( 7.515 0.000 -2.414) 7.894 2.884 ( -6.721 0.000 -2.655) 7.227 3.065 ( -2.962 -0.000 -3.020) 4.230 3.089 ( -3.504 0.000 5.344) 6.391 3.270 ( 1.323 0.000 -4.331) 4.529 3.432 ( 10.170 -0.000 10.732) 14.785 3.490 ( -3.482 0.000 -0.315) 3.496 3.528 ( 7.857 0.000 4.425) 9.018 3.614 ( -5.327 0.000 -2.961) 6.095 3.830 ( -1.282 -0.000 0.009) 1.282 3.885 ( -1.945 0.000 2.282) 2.998 4.000 ( -0.401 0.000 1.551) 1.602 4.022 ( -2.942 -0.000 -0.462) 2.978 4.112 ( -2.578 0.000 -11.440) 11.727 4.256 ( -1.199 -0.000 -2.175) 2.483 4.426 ( -0.006 0.000 6.294) 6.294 4.474 ( 3.413 0.000 -2.908) 4.484 4.609 ( -2.427 -0.000 -0.638) 2.509 4.680 ( -2.776 0.000 1.767) 3.291 4.784 ( -2.909 0.000 4.268) 5.165 4.881 ( 5.534 0.000 -6.983) 8.910 5.247 ( 4.776 0.000 1.388) 4.973 5.366 ( -2.787 0.000 5.007) 5.731 5.539 ( 0.290 0.000 2.714) 2.729 5.682 ( 1.056 0.000 -0.523) 1.179 5.876 ( 3.377 -0.000 -4.169) 5.365 5.880 ( -2.691 0.000 -4.117) 4.918 6.255 ( 2.443 0.000 5.673) 6.176 6.471 ( -1.241 0.000 -3.268) 3.496 6.631 ( 0.032 0.000 5.871) 5.871 6.983 ( 0.299 0.000 -6.165) 6.172 7.134 ( 2.633 0.000 2.317) 3.507 7.177 ( 1.620 0.000 -0.096) 1.623 8.105 ( -0.954 0.000 1.078) 1.439 8.218 ( -2.501 0.000 -2.100) 3.265 9.167 ( 3.980 0.000 3.448) 5.266 9.357 ( 2.635 0.000 -2.598) 3.701 10.041 ( -0.062 0.000 0.420) 0.424 10.062 ( -0.199 -0.000 -1.667) 1.679 10.176 ( 0.538 -0.000 1.338) 1.442 10.192 ( 0.225 0.000 -0.155) 0.273 11.505 ( 0.607 0.000 3.698) 3.748 11.792 ( -0.266 0.000 -5.831) 5.837 12.023 ( -1.581 0.000 3.063) 3.447 12.163 ( 1.184 0.000 -2.840) 3.077 12.654 ( -1.035 0.000 1.132) 1.534 12.765 ( -1.838 0.000 -1.427) 2.327 12.843 ( -2.468 -0.000 3.842) 4.566 12.924 ( 4.183 0.000 -3.362) 5.367 13.453 ( 2.111 0.000 0.031) 2.111 13.519 ( -3.196 0.000 1.316) 3.457 13.760 ( 3.903 -0.000 0.750) 3.975 13.866 ( 1.590 0.000 -0.111) 1.594 13.904 ( -4.021 0.000 0.824) 4.105 13.920 ( -2.124 -0.000 -1.581) 2.648 17.479 ( -0.605 0.000 0.796) 1.000 17.528 ( -0.829 0.000 -0.992) 1.293 18.109 ( 1.395 0.000 1.239) 1.866 18.164 ( 1.420 0.000 -0.918) 1.691 19.490 ( 0.016 0.000 0.213) 0.213 19.528 ( -0.562 0.000 -0.535) 0.776 19.624 ( 0.264 0.000 1.096) 1.127 19.653 ( 0.173 0.000 -0.143) 0.224 19.830 ( 0.644 0.000 -1.494) 1.627 19.848 ( -0.805 0.000 -0.249) 0.843 19.972 ( -0.417 0.000 1.838) 1.885 20.030 ( -0.212 0.000 -0.647) 0.681 20.218 ( -0.901 -0.000 1.738) 1.957 20.294 ( 1.217 0.000 -2.270) 2.576 20.988 ( -2.452 0.000 2.826) 3.741 21.062 ( 1.565 0.000 -2.588) 3.025 21.370 ( 0.795 0.000 0.310) 0.853 21.398 ( -0.227 0.000 -0.129) 0.261 27.469 ( 0.529 0.000 0.211) 0.569 27.493 ( 0.145 0.000 -0.171) 0.225 27.563 ( -0.031 0.000 0.303) 0.304 27.577 ( 0.052 0.000 -0.345) 0.349 28.546 ( 0.120 0.000 0.186) 0.222 28.562 ( -0.150 0.000 -0.140) 0.205 35.344 ( 5.476 0.000 -0.381) 5.490 35.394 ( 4.568 0.000 0.008) 4.568 35.908 ( -6.866 0.000 0.512) 6.885 35.980 ( -7.065 0.000 0.266) 7.070 38.318 ( -1.908 0.000 -0.233) 1.922 38.389 ( -3.240 -0.000 0.023) 3.240 38.513 ( -3.463 0.000 5.598) 6.582 38.905 ( -2.816 0.000 -5.590) 6.259 40.150 ( 1.844 0.000 2.483) 3.093 40.484 ( -0.944 0.000 -7.138) 7.200 41.054 ( 6.808 0.000 1.665) 7.009 41.108 ( 2.258 -0.000 2.659) 3.488 ======================= Grid point 120 (64/90) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.984 0.000 4.732) 7.629 1.598 ( 0.767 0.000 -5.566) 5.619 1.615 ( -0.432 0.000 2.483) 2.520 1.730 ( 3.529 0.000 0.202) 3.535 1.915 ( 1.824 0.000 3.227) 3.707 2.055 ( -1.991 0.000 -5.071) 5.448 2.220 ( 7.266 0.000 1.243) 7.372 2.289 ( 6.234 0.000 -3.048) 6.939 2.398 ( -0.672 0.000 4.600) 4.649 2.537 ( -0.238 0.000 -1.204) 1.227 2.669 ( 4.615 -0.000 -0.308) 4.625 2.774 ( -2.196 0.000 -6.520) 6.880 2.961 ( 6.480 0.000 1.934) 6.763 2.969 ( -5.824 -0.000 -5.913) 8.299 3.003 ( -6.143 0.000 6.432) 8.894 3.229 ( -1.760 0.000 0.320) 1.789 3.459 ( 1.349 0.000 3.067) 3.350 3.504 ( -3.970 -0.000 0.032) 3.970 3.664 ( 7.373 0.000 4.512) 8.645 3.691 ( 6.053 0.000 4.332) 7.443 3.784 ( -2.540 0.000 -1.400) 2.900 3.849 ( -0.775 0.000 -0.827) 1.133 3.987 ( 0.185 -0.000 -1.509) 1.521 4.082 ( 1.184 0.000 -8.770) 8.849 4.082 ( 6.708 -0.000 4.130) 7.877 4.214 ( -2.073 0.000 -5.975) 6.325 4.418 ( -3.759 -0.000 0.479) 3.789 4.514 ( -2.157 0.000 3.867) 4.428 4.539 ( 3.196 -0.000 -1.727) 3.633 4.647 ( -0.356 0.000 2.599) 2.624 4.802 ( 1.640 -0.000 2.631) 3.100 4.944 ( 1.382 0.000 -8.420) 8.533 5.262 ( -6.939 0.000 4.888) 8.488 5.303 ( 0.286 0.000 3.204) 3.216 5.592 ( 4.302 0.000 4.439) 6.181 5.683 ( -1.429 0.000 -1.278) 1.917 5.839 ( -1.163 -0.000 -6.512) 6.615 5.911 ( 0.353 0.000 -2.801) 2.823 6.237 ( -3.630 0.000 6.430) 7.384 6.453 ( -0.094 0.000 -3.547) 3.548 6.686 ( 3.499 0.000 7.213) 8.017 6.942 ( -3.061 0.000 -7.073) 7.707 7.151 ( -1.568 0.000 1.839) 2.416 7.177 ( -1.528 0.000 -0.245) 1.547 8.119 ( 2.267 0.000 1.734) 2.854 8.195 ( 0.437 0.000 -2.733) 2.768 9.190 ( -2.052 0.000 4.159) 4.638 9.340 ( -3.976 0.000 -3.332) 5.188 10.016 ( -2.038 0.000 -0.034) 2.038 10.057 ( -0.096 -0.000 -0.957) 0.962 10.186 ( 0.306 -0.000 0.849) 0.903 10.212 ( 1.328 0.000 0.078) 1.330 11.526 ( 0.806 0.000 4.710) 4.778 11.757 ( -2.200 0.000 -6.736) 7.086 12.022 ( 1.118 0.000 2.839) 3.051 12.182 ( 0.943 0.000 -2.800) 2.954 12.674 ( 2.718 0.000 1.995) 3.372 12.734 ( -0.863 0.000 -1.771) 1.970 12.792 ( -2.491 0.000 1.465) 2.890 12.975 ( 0.654 0.000 -1.414) 1.558 13.461 ( -1.987 0.000 -0.716) 2.112 13.500 ( 2.155 -0.000 2.049) 2.973 13.816 ( -2.155 0.000 2.501) 3.301 13.844 ( -2.551 -0.000 -1.739) 3.087 13.875 ( 4.393 0.000 -0.258) 4.401 13.930 ( 2.198 0.000 -0.622) 2.284 17.481 ( 0.732 0.000 0.881) 1.146 17.526 ( 0.737 0.000 -1.077) 1.305 18.110 ( -1.376 0.000 1.271) 1.873 18.164 ( -1.340 0.000 -0.949) 1.642 19.499 ( 0.732 0.000 0.603) 0.949 19.515 ( -0.510 0.000 -0.859) 0.999 19.631 ( 0.158 0.000 0.984) 0.996 19.658 ( 0.313 0.000 -0.051) 0.317 19.823 ( -1.348 0.000 -1.153) 1.773 19.848 ( 1.133 0.000 -0.668) 1.315 19.971 ( 0.203 0.000 1.897) 1.908 20.031 ( 0.251 0.000 -0.675) 0.720 20.206 ( -0.308 0.000 1.251) 1.288 20.309 ( 0.346 0.000 -1.795) 1.828 20.954 ( -0.911 0.000 1.615) 1.854 21.092 ( 1.413 0.000 -1.366) 1.965 21.378 ( -0.115 0.000 0.634) 0.645 21.389 ( -0.615 0.000 -0.450) 0.762 27.476 ( 0.077 0.000 0.488) 0.494 27.486 ( -0.721 0.000 -0.449) 0.849 27.561 ( -0.121 0.000 0.247) 0.275 27.578 ( 0.097 0.000 -0.289) 0.305 28.550 ( 0.226 0.000 0.341) 0.409 28.558 ( -0.159 0.000 -0.295) 0.335 35.360 ( -6.722 0.000 -1.142) 6.818 35.371 ( -3.458 0.000 0.781) 3.545 35.945 ( 9.154 -0.000 1.772) 9.324 35.950 ( 4.803 0.000 -1.005) 4.907 38.330 ( -0.346 0.000 -0.834) 0.903 38.348 ( 4.818 0.000 1.164) 4.956 38.590 ( 7.879 0.000 6.994) 10.536 38.869 ( 0.214 0.000 -7.572) 7.575 40.185 ( 1.010 0.000 4.428) 4.542 40.414 ( -4.783 0.000 -8.656) 9.889 41.069 ( -6.113 0.000 0.943) 6.186 41.117 ( -1.152 -0.000 3.000) 3.214 ======================= Grid point 122 (65/90) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 3.010 -0.000 5.451) 6.227 1.582 ( -0.227 0.000 -3.078) 3.087 1.641 ( 4.842 0.000 -1.795) 5.165 1.838 ( 4.608 0.000 -3.084) 5.544 1.941 ( -0.069 0.000 5.115) 5.115 2.015 ( -0.956 0.000 -4.771) 4.866 2.377 ( 1.349 -0.000 1.888) 2.320 2.379 ( 2.749 0.000 -3.114) 4.154 2.548 ( 14.986 -0.000 0.701) 15.002 2.560 ( 5.502 0.000 -1.629) 5.738 2.752 ( 0.444 -0.000 -2.555) 2.593 2.800 ( 4.072 -0.000 -4.414) 6.006 2.832 ( -10.609 0.000 5.078) 11.761 2.940 ( 9.577 0.000 2.177) 9.822 3.083 ( 4.866 0.000 1.895) 5.222 3.212 ( -0.723 0.000 2.538) 2.639 3.490 ( 2.423 0.000 1.379) 2.788 3.540 ( 5.000 -0.000 6.563) 8.250 3.644 ( -5.289 0.000 -5.208) 7.423 3.789 ( 4.096 0.000 -1.647) 4.415 3.829 ( 4.382 -0.000 4.664) 6.400 3.874 ( 2.373 0.000 -1.347) 2.729 4.004 ( 0.389 -0.000 -2.262) 2.295 4.127 ( 3.631 0.000 -4.669) 5.915 4.182 ( 0.344 -0.000 -6.658) 6.667 4.223 ( 5.782 0.000 2.940) 6.487 4.272 ( -8.195 -0.000 -0.207) 8.197 4.549 ( 2.751 0.000 5.796) 6.416 4.584 ( 0.933 0.000 1.990) 2.198 4.671 ( 0.977 -0.000 2.932) 3.091 4.819 ( -0.116 -0.000 -1.325) 1.330 4.926 ( -1.767 0.000 -8.222) 8.410 5.140 ( -4.059 -0.000 2.868) 4.970 5.258 ( -5.136 0.000 3.399) 6.159 5.622 ( -3.900 -0.000 0.211) 3.905 5.709 ( 5.865 0.000 3.164) 6.664 5.765 ( -5.509 -0.000 -8.336) 9.992 5.904 ( -0.103 0.000 -0.495) 0.505 6.212 ( 1.599 0.000 9.000) 9.141 6.457 ( 0.916 0.000 -4.743) 4.830 6.743 ( 0.566 -0.000 4.924) 4.956 6.865 ( -2.974 0.000 -6.313) 6.978 7.065 ( -6.863 0.000 1.774) 7.089 7.113 ( -4.571 0.000 -0.634) 4.615 8.217 ( 7.226 0.000 2.480) 7.639 8.218 ( 1.872 -0.000 -2.844) 3.405 9.108 ( -5.866 -0.000 4.316) 7.283 9.187 ( -10.234 0.000 -4.016) 10.994 9.973 ( -1.882 0.000 0.979) 2.121 10.056 ( 0.067 0.000 -0.443) 0.448 10.190 ( 0.072 0.000 0.198) 0.211 10.237 ( 1.050 0.000 -0.838) 1.344 11.545 ( 0.400 0.000 4.742) 4.758 11.697 ( -2.444 0.000 -6.239) 6.700 12.068 ( 2.822 0.000 1.712) 3.301 12.191 ( -0.014 0.000 -1.020) 1.020 12.726 ( 0.175 0.000 -1.270) 1.282 12.758 ( -0.543 0.000 -1.134) 1.257 12.760 ( 4.943 -0.000 1.823) 5.268 12.941 ( -3.732 0.000 1.324) 3.960 13.444 ( 0.466 0.000 -3.065) 3.100 13.538 ( 0.995 -0.000 3.034) 3.193 13.761 ( -2.749 0.000 2.300) 3.585 13.788 ( -2.487 0.000 -2.216) 3.331 13.981 ( 2.642 -0.000 0.191) 2.649 13.990 ( 5.752 0.000 -0.459) 5.771 17.511 ( 1.978 0.000 1.014) 2.223 17.554 ( 2.098 0.000 -1.296) 2.466 18.059 ( -3.542 0.000 1.325) 3.782 18.110 ( -3.582 0.000 -1.016) 3.723 19.511 ( 0.318 0.000 -0.649) 0.723 19.518 ( 0.879 0.000 0.688) 1.117 19.629 ( -0.505 0.000 0.472) 0.691 19.664 ( 0.231 0.000 -0.509) 0.559 19.800 ( -0.608 0.000 -0.933) 1.114 19.866 ( 0.388 0.000 -0.046) 0.391 19.988 ( 1.203 0.000 1.802) 2.167 20.037 ( 0.425 0.000 -0.642) 0.770 20.208 ( 0.338 0.000 0.559) 0.653 20.301 ( -0.951 0.000 -0.825) 1.259 20.960 ( 1.308 0.000 0.109) 1.312 21.110 ( 0.250 0.000 0.026) 0.252 21.368 ( -0.895 0.000 1.034) 1.368 21.375 ( -0.523 0.000 -1.005) 1.133 27.466 ( -1.000 0.000 -0.470) 1.105 27.472 ( -0.494 0.000 0.478) 0.687 27.560 ( -0.084 0.000 0.277) 0.290 27.579 ( 0.021 0.000 -0.310) 0.311 28.555 ( 0.160 0.000 0.373) 0.405 28.556 ( -0.001 -0.000 -0.359) 0.359 35.207 ( -6.743 0.000 -0.867) 6.799 35.256 ( -6.287 0.000 0.716) 6.328 36.115 ( 9.472 0.000 -0.215) 9.475 36.181 ( 11.846 0.000 0.982) 11.887 38.378 ( 4.466 0.000 0.165) 4.469 38.507 ( 9.516 0.000 1.306) 9.605 38.825 ( 13.840 0.000 4.279) 14.486 38.901 ( 4.002 0.000 -6.513) 7.644 40.199 ( -0.176 -0.000 5.375) 5.378 40.285 ( -6.115 0.000 -7.650) 9.793 40.872 ( -12.459 0.000 -0.829) 12.487 41.012 ( -9.262 0.000 3.073) 9.759 ======================= Grid point 124 (66/90) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.932 0.000 3.203) 3.740 1.587 ( 0.531 0.000 -1.889) 1.962 1.717 ( 0.757 0.000 -0.624) 0.981 1.892 ( 1.721 0.000 -4.548) 4.863 1.960 ( 1.227 0.000 1.793) 2.173 2.007 ( 0.559 0.000 -6.398) 6.422 2.318 ( -3.378 0.000 -1.957) 3.904 2.434 ( 3.603 0.000 5.250) 6.368 2.573 ( -11.240 0.000 1.834) 11.388 2.741 ( 7.033 -0.000 0.311) 7.039 2.779 ( 2.922 0.000 3.681) 4.700 2.904 ( 8.215 -0.000 -6.303) 10.354 2.922 ( 16.456 0.000 1.044) 16.490 3.162 ( 2.747 -0.000 1.355) 3.063 3.183 ( 1.736 0.000 2.953) 3.425 3.265 ( 13.033 -0.000 4.837) 13.901 3.488 ( -4.452 -0.000 -7.569) 8.781 3.587 ( -4.617 0.000 4.932) 6.756 3.606 ( 3.313 -0.000 2.792) 4.333 3.851 ( 1.489 0.000 -0.510) 1.574 3.900 ( 0.374 0.000 -4.070) 4.087 3.901 ( 0.007 -0.000 0.295) 0.295 3.983 ( 0.199 -0.000 -1.504) 1.518 4.147 ( -2.660 0.000 -0.696) 2.750 4.217 ( 6.162 0.000 -1.681) 6.387 4.247 ( 6.743 0.000 -3.396) 7.550 4.323 ( 2.573 -0.000 2.242) 3.413 4.564 ( -2.922 0.000 6.132) 6.793 4.599 ( 0.761 0.000 3.629) 3.708 4.659 ( -1.695 0.000 0.473) 1.760 4.792 ( -2.652 0.000 -1.804) 3.207 4.863 ( -3.076 -0.000 -9.075) 9.582 5.109 ( -0.922 0.000 2.064) 2.261 5.126 ( -6.489 0.000 2.360) 6.905 5.549 ( -2.311 -0.000 2.327) 3.280 5.666 ( -1.313 -0.000 -2.073) 2.454 5.800 ( 2.109 0.000 -1.173) 2.413 5.919 ( 0.950 0.000 0.673) 1.164 6.304 ( 5.269 0.000 5.881) 7.896 6.479 ( 2.077 0.000 -5.599) 5.972 6.710 ( -3.916 -0.000 2.927) 4.889 6.820 ( -0.884 -0.000 -4.225) 4.317 6.899 ( -8.207 0.000 2.329) 8.531 7.005 ( -5.024 0.000 -1.067) 5.136 8.264 ( 3.001 0.000 -0.909) 3.136 8.414 ( 10.807 -0.000 1.969) 10.985 8.934 ( -12.773 -0.000 -3.752) 13.312 8.982 ( -6.396 0.000 2.736) 6.957 9.948 ( -0.668 0.000 2.163) 2.264 10.059 ( 0.278 0.000 -0.437) 0.518 10.189 ( -0.207 0.000 -0.128) 0.244 10.251 ( 0.407 0.000 -1.644) 1.694 11.550 ( -0.408 0.000 3.761) 3.783 11.656 ( -0.656 0.000 -4.508) 4.555 12.131 ( 2.936 0.000 0.221) 2.944 12.177 ( -1.252 0.000 0.900) 1.543 12.744 ( 2.007 0.000 -2.349) 3.090 12.766 ( 1.140 0.000 -0.341) 1.190 12.838 ( -3.766 -0.000 1.636) 4.106 12.858 ( 1.485 -0.000 0.782) 1.679 13.468 ( 2.226 0.000 -2.864) 3.627 13.538 ( -1.459 0.000 2.815) 3.171 13.716 ( -1.703 -0.000 1.594) 2.332 13.745 ( -1.319 0.000 -1.509) 2.004 14.032 ( 2.047 0.000 0.881) 2.228 14.091 ( 3.704 0.000 -1.044) 3.848 17.558 ( 2.173 0.000 1.088) 2.430 17.605 ( 2.705 0.000 -1.531) 3.108 17.979 ( -3.919 0.000 1.386) 4.157 18.029 ( -3.632 0.000 -1.109) 3.798 19.525 ( 0.926 0.000 -0.434) 1.023 19.532 ( 0.376 0.000 0.336) 0.504 19.615 ( -0.666 0.000 0.459) 0.809 19.665 ( -0.033 0.000 -1.032) 1.032 19.799 ( 0.455 0.000 -0.057) 0.458 19.861 ( -0.745 0.000 -0.041) 0.746 20.019 ( 1.301 0.000 1.457) 1.953 20.046 ( 0.515 0.000 -0.296) 0.594 20.220 ( 0.693 0.000 0.061) 0.695 20.274 ( -1.398 0.000 -0.312) 1.433 21.002 ( 2.576 0.000 -0.512) 2.627 21.099 ( -1.245 0.000 0.534) 1.355 21.346 ( -1.282 0.000 1.356) 1.866 21.370 ( 0.157 0.000 -1.247) 1.256 27.449 ( -0.560 0.000 -0.254) 0.615 27.460 ( -0.674 0.000 0.205) 0.704 27.559 ( -0.036 0.000 0.344) 0.346 27.578 ( -0.022 0.000 -0.353) 0.353 28.557 ( -0.024 0.000 0.257) 0.258 28.557 ( 0.164 -0.000 -0.301) 0.343 35.102 ( -3.220 0.000 -0.359) 3.240 35.147 ( -4.057 0.000 0.148) 4.060 36.289 ( 6.576 0.000 1.495) 6.744 36.387 ( 7.344 0.000 -0.039) 7.344 38.477 ( 4.113 0.000 0.233) 4.120 38.667 ( 4.610 0.000 -5.385) 7.089 39.037 ( 8.940 0.000 2.520) 9.288 39.135 ( 14.495 0.000 0.635) 14.509 40.181 ( -2.071 -0.000 -4.304) 4.777 40.196 ( -0.612 0.000 5.311) 5.346 40.600 ( -11.896 0.000 -2.544) 12.165 40.762 ( -14.323 0.000 2.060) 14.471 ======================= Grid point 154 (67/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 11.871 0.000 -13.548) 18.013 0.707 ( -11.871 0.000 13.548) 18.013 0.903 ( -2.141 0.000 -16.181) 16.322 0.903 ( 2.141 0.000 16.181) 16.322 1.525 ( -4.877 0.000 -1.111) 5.002 1.525 ( 4.877 0.000 1.111) 5.002 1.624 ( 2.596 0.000 -14.152) 14.388 1.624 ( -2.596 0.000 14.152) 14.388 2.162 ( -10.094 0.000 -8.389) 13.125 2.162 ( 10.094 0.000 8.389) 13.125 2.623 ( -4.324 0.000 -14.632) 15.258 2.623 ( 4.324 0.000 14.632) 15.258 2.685 ( -7.193 0.000 -7.153) 10.144 2.685 ( 7.193 0.000 7.153) 10.144 2.963 ( 1.730 0.000 -2.384) 2.946 2.963 ( -1.730 0.000 2.384) 2.946 3.118 ( 7.954 0.000 -10.555) 13.217 3.118 ( -7.954 0.000 10.555) 13.217 3.450 ( 4.179 0.000 -1.815) 4.557 3.450 ( -4.179 0.000 1.815) 4.557 3.648 ( 3.720 0.000 -5.123) 6.331 3.648 ( -3.720 0.000 5.123) 6.331 4.046 ( -3.546 0.000 -1.241) 3.757 4.046 ( 3.546 0.000 1.241) 3.757 4.127 ( -2.903 0.000 0.803) 3.012 4.127 ( 2.903 0.000 -0.803) 3.012 4.480 ( 3.509 0.000 -4.215) 5.485 4.480 ( -3.509 0.000 4.215) 5.485 4.538 ( -6.551 0.000 -0.773) 6.596 4.538 ( 6.551 0.000 0.773) 6.596 5.018 ( -1.046 0.000 -2.225) 2.459 5.018 ( 1.046 0.000 2.225) 2.459 5.189 ( 5.945 0.000 -2.005) 6.274 5.189 ( -5.945 0.000 2.005) 6.274 5.794 ( -6.978 0.000 -2.352) 7.364 5.794 ( 6.978 0.000 2.352) 7.364 5.873 ( 0.834 0.000 -1.795) 1.980 5.873 ( -0.834 0.000 1.795) 1.980 6.520 ( -1.602 0.000 -5.073) 5.320 6.520 ( 1.602 0.000 5.073) 5.320 6.719 ( -5.892 0.000 -0.246) 5.897 6.719 ( 5.892 0.000 0.246) 5.897 7.071 ( -4.022 0.000 -4.650) 6.148 7.071 ( 4.022 0.000 4.650) 6.148 7.980 ( -0.638 0.000 -5.431) 5.469 7.980 ( 0.638 0.000 5.431) 5.469 9.062 ( -11.858 0.000 1.173) 11.916 9.062 ( 11.858 0.000 -1.173) 11.916 10.115 ( 0.552 0.000 -1.161) 1.286 10.115 ( -0.552 0.000 1.161) 1.286 10.272 ( 1.217 0.000 -0.616) 1.364 10.272 ( -1.217 0.000 0.616) 1.364 11.801 ( -5.035 0.000 -0.073) 5.036 11.801 ( 5.035 0.000 0.073) 5.036 11.924 ( 10.568 0.000 -4.331) 11.421 11.924 ( -10.568 0.000 4.331) 11.421 12.504 ( -3.301 0.000 -1.218) 3.519 12.504 ( 3.301 0.000 1.218) 3.519 12.932 ( -1.102 0.000 0.336) 1.152 12.932 ( 1.102 0.000 -0.336) 1.152 13.513 ( -11.233 0.000 -4.673) 12.166 13.513 ( 11.233 0.000 4.673) 12.166 14.125 ( -1.963 0.000 -2.264) 2.996 14.125 ( 1.963 0.000 2.264) 2.996 14.352 ( 1.513 0.000 -4.729) 4.965 14.352 ( -1.513 0.000 4.729) 4.965 17.690 ( -1.188 0.000 -3.530) 3.724 17.690 ( 1.188 0.000 3.530) 3.724 17.925 ( -0.631 0.000 -0.896) 1.096 17.925 ( 0.631 0.000 0.896) 1.096 19.682 ( 0.410 0.000 -1.010) 1.090 19.682 ( -0.410 0.000 1.010) 1.090 19.838 ( -2.139 0.000 -0.296) 2.159 19.838 ( 2.139 0.000 0.296) 2.159 19.851 ( -0.101 0.000 -0.114) 0.152 19.851 ( 0.101 0.000 0.114) 0.152 20.100 ( -0.492 0.000 -0.078) 0.498 20.100 ( 0.492 0.000 0.078) 0.498 20.383 ( -6.528 0.000 -0.335) 6.537 20.383 ( 6.528 0.000 0.335) 6.537 21.165 ( -5.099 0.000 -1.049) 5.206 21.165 ( 5.099 0.000 1.049) 5.206 21.320 ( 0.647 0.000 -0.858) 1.075 21.320 ( -0.647 0.000 0.858) 1.075 27.443 ( -1.791 0.000 0.139) 1.797 27.443 ( 1.791 0.000 -0.139) 1.797 27.514 ( -0.848 0.000 -0.455) 0.963 27.514 ( 0.848 0.000 0.455) 0.963 28.475 ( -0.588 0.000 -0.182) 0.616 28.475 ( 0.588 0.000 0.182) 0.616 34.432 ( 0.057 0.000 -0.073) 0.093 34.432 ( -0.057 0.000 0.073) 0.093 35.508 ( -8.537 0.000 -1.728) 8.711 35.508 ( 8.537 0.000 1.728) 8.711 37.611 ( -0.158 0.000 -4.561) 4.564 37.611 ( 0.158 0.000 4.561) 4.564 39.412 ( 10.251 0.000 -8.609) 13.387 39.412 ( -10.251 0.000 8.609) 13.387 40.134 ( -7.499 0.000 -0.433) 7.512 40.134 ( 7.499 0.000 0.433) 7.512 41.371 ( -37.085 0.000 -2.041) 37.141 41.371 ( 37.085 0.000 2.041) 37.141 ======================= Grid point 156 (68/90) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 11.232 0.000 14.265) 18.156 0.845 ( -1.967 0.000 -14.140) 14.276 0.899 ( 4.642 0.000 -14.474) 15.200 1.147 ( 19.023 0.000 17.777) 26.036 1.443 ( 4.288 0.000 -2.885) 5.168 1.488 ( 5.047 0.000 -24.762) 25.271 1.726 ( 4.621 0.000 8.499) 9.674 1.861 ( 4.945 0.000 7.694) 9.146 1.987 ( -1.842 0.000 -0.838) 2.023 2.270 ( -4.337 0.000 -11.777) 12.550 2.495 ( -5.803 0.000 -13.630) 14.814 2.572 ( 2.892 0.000 1.918) 3.470 2.768 ( 5.432 0.000 10.223) 11.576 2.808 ( 0.428 0.000 6.655) 6.669 2.939 ( -3.745 0.000 -5.079) 6.310 2.967 ( 1.427 0.000 8.506) 8.624 3.027 ( 0.576 0.000 10.011) 10.028 3.300 ( 6.810 0.000 -3.179) 7.516 3.433 ( 2.660 0.000 8.894) 9.283 3.530 ( 3.091 0.000 1.411) 3.398 3.596 ( 0.260 0.000 6.845) 6.850 3.701 ( 1.303 0.000 -4.862) 5.033 3.957 ( -4.101 0.000 -0.417) 4.122 4.103 ( -0.855 0.000 1.691) 1.895 4.104 ( 2.177 0.000 2.221) 3.110 4.205 ( 3.722 0.000 1.184) 3.906 4.371 ( -3.602 0.000 1.474) 3.892 4.492 ( -1.965 0.000 -8.192) 8.424 4.499 ( 1.621 0.000 -1.333) 2.098 4.653 ( 3.600 0.000 -0.096) 3.601 4.937 ( -4.206 0.000 -4.576) 6.216 4.959 ( -2.608 0.000 -5.817) 6.375 5.231 ( 5.120 0.000 8.199) 9.666 5.360 ( 8.241 0.000 -2.255) 8.544 5.599 ( -9.863 0.000 6.927) 12.052 5.818 ( -1.737 0.000 4.160) 4.508 5.898 ( 1.972 0.000 -2.645) 3.299 5.955 ( 3.326 0.000 1.782) 3.773 6.471 ( -2.678 0.000 -4.012) 4.823 6.529 ( -1.486 0.000 2.638) 3.028 6.634 ( -2.186 0.000 3.114) 3.805 6.810 ( 0.646 0.000 -0.362) 0.740 6.966 ( -4.153 0.000 -5.118) 6.591 7.139 ( 2.603 0.000 3.805) 4.610 7.959 ( -0.719 0.000 -6.183) 6.225 8.025 ( 4.219 0.000 6.574) 7.811 8.739 ( -16.445 0.000 -9.283) 18.884 9.175 ( -0.395 0.000 -4.711) 4.727 10.074 ( -2.817 0.000 4.379) 5.206 10.089 ( -2.540 0.000 -1.995) 3.230 10.248 ( -0.482 0.000 -0.749) 0.890 10.262 ( -1.594 0.000 0.228) 1.610 11.521 ( -13.181 0.000 -4.824) 14.036 11.804 ( -3.430 0.000 -1.581) 3.777 11.807 ( -2.549 0.000 -0.869) 2.693 11.975 ( -3.956 0.000 -3.061) 5.002 12.437 ( -1.457 0.000 -2.976) 3.314 12.478 ( -2.641 0.000 1.425) 3.001 13.060 ( 7.020 0.000 4.994) 8.615 13.102 ( 10.588 0.000 -9.339) 14.118 13.389 ( 0.476 0.000 0.392) 0.617 13.709 ( 3.143 0.000 7.587) 8.212 14.153 ( 4.798 0.000 -1.158) 4.936 14.192 ( 3.488 0.000 0.196) 3.493 14.336 ( -0.515 0.000 6.534) 6.554 14.389 ( 2.560 0.000 -2.238) 3.400 17.673 ( -0.068 0.000 -2.851) 2.852 17.728 ( 2.031 0.000 3.488) 4.036 17.889 ( -2.605 0.000 -0.921) 2.763 17.925 ( -0.377 0.000 0.635) 0.738 19.671 ( -0.533 0.000 0.673) 0.858 19.678 ( -0.518 0.000 -1.476) 1.564 19.814 ( 0.269 0.000 -0.206) 0.339 19.828 ( -0.275 0.000 1.455) 1.481 19.891 ( 2.274 0.000 0.693) 2.377 19.953 ( 5.366 0.000 -2.994) 6.145 20.110 ( 2.286 0.000 -0.500) 2.340 20.113 ( 0.525 0.000 -0.090) 0.532 20.255 ( -5.264 0.000 3.145) 6.132 20.469 ( 0.855 0.000 4.626) 4.704 21.096 ( -1.324 0.000 1.488) 1.991 21.219 ( -0.327 0.000 2.318) 2.341 21.343 ( 1.860 0.000 1.110) 2.166 21.412 ( 5.693 0.000 2.044) 6.049 27.420 ( -0.341 0.000 -0.285) 0.444 27.474 ( 0.574 0.000 -0.506) 0.765 27.506 ( 0.553 0.000 -0.772) 0.950 27.531 ( 0.568 0.000 0.358) 0.672 28.468 ( 0.067 0.000 -0.003) 0.067 28.483 ( 0.111 0.000 0.230) 0.255 34.461 ( 2.807 0.000 0.417) 2.838 34.462 ( 2.800 0.000 -0.348) 2.822 35.321 ( -8.667 0.000 3.562) 9.371 35.583 ( -3.727 0.000 1.946) 4.204 37.591 ( -1.149 0.000 -4.381) 4.529 37.611 ( -0.635 0.000 4.205) 4.252 38.676 ( -43.955 0.000 -19.106) 47.928 39.310 ( -16.516 0.000 -7.086) 17.972 39.757 ( -7.596 0.000 4.570) 8.865 39.943 ( -8.729 0.000 -2.819) 9.173 41.507 ( 27.782 0.000 -5.578) 28.337 42.330 ( 34.199 0.000 -20.117) 39.677 ======================= Grid point 157 (69/90) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.939 0.000 -10.512) 11.614 1.004 ( 11.679 0.000 6.005) 13.132 1.118 ( 16.094 0.000 -5.794) 17.105 1.476 ( 10.671 0.000 11.641) 15.792 1.605 ( 8.445 0.000 -3.460) 9.126 1.711 ( 8.425 0.000 -5.376) 9.994 1.828 ( 4.434 0.000 -3.345) 5.554 1.839 ( 6.785 0.000 0.581) 6.810 2.040 ( -0.293 0.000 9.047) 9.052 2.052 ( -10.996 0.000 -19.718) 22.577 2.334 ( -8.558 0.000 -6.082) 10.499 2.676 ( -8.609 0.000 -7.046) 11.125 2.706 ( 4.446 0.000 -0.469) 4.471 2.718 ( -5.477 0.000 6.482) 8.486 3.036 ( 9.463 0.000 4.002) 10.274 3.097 ( 3.606 0.000 9.233) 9.912 3.152 ( 13.497 0.000 8.865) 16.148 3.354 ( -0.003 0.000 4.064) 4.064 3.400 ( -4.025 0.000 -0.895) 4.123 3.569 ( -0.076 0.000 -2.205) 2.206 3.697 ( -0.646 0.000 -7.581) 7.609 3.712 ( 3.757 0.000 6.752) 7.727 3.900 ( -1.555 0.000 0.317) 1.587 4.067 ( -1.515 0.000 3.029) 3.387 4.127 ( -0.168 0.000 0.484) 0.512 4.304 ( 5.276 0.000 6.560) 8.419 4.372 ( 2.718 0.000 2.789) 3.895 4.400 ( -4.487 0.000 -8.747) 9.831 4.546 ( 1.827 0.000 -3.062) 3.566 4.695 ( -0.267 0.000 1.000) 1.035 4.906 ( 0.664 0.000 -0.597) 0.893 4.909 ( -1.507 0.000 -4.186) 4.449 5.307 ( 1.143 0.000 8.006) 8.088 5.464 ( -2.759 0.000 11.345) 11.675 5.477 ( 3.164 0.000 -7.631) 8.261 5.746 ( -5.745 0.000 2.834) 6.406 5.932 ( 1.787 0.000 -3.818) 4.215 6.010 ( 2.569 0.000 -0.868) 2.712 6.400 ( -3.549 0.000 -0.750) 3.628 6.480 ( -3.199 0.000 0.820) 3.302 6.605 ( -1.459 0.000 5.356) 5.551 6.754 ( -4.122 0.000 -4.635) 6.203 6.951 ( 3.113 0.000 -4.793) 5.715 7.144 ( -3.200 0.000 2.928) 4.338 7.952 ( 1.532 0.000 -7.741) 7.891 8.194 ( 10.353 0.000 5.851) 11.892 8.446 ( -10.199 0.000 -4.610) 11.193 9.061 ( -9.335 0.000 -3.147) 9.851 10.038 ( -1.482 0.000 -2.777) 3.148 10.042 ( -0.828 0.000 3.774) 3.864 10.240 ( -0.592 0.000 1.442) 1.559 10.244 ( 0.053 0.000 -1.784) 1.785 11.371 ( -2.177 0.000 -0.100) 2.179 11.672 ( -7.956 0.000 -3.769) 8.803 11.770 ( -1.079 0.000 0.774) 1.328 11.878 ( -4.249 0.000 -0.498) 4.278 12.426 ( 0.524 0.000 -4.538) 4.568 12.459 ( -0.252 0.000 4.330) 4.337 13.189 ( 4.543 0.000 8.363) 9.518 13.211 ( 3.440 0.000 -14.066) 14.481 13.476 ( 4.955 0.000 0.773) 5.015 13.688 ( -3.660 0.000 3.026) 4.749 14.234 ( 2.383 0.000 -3.117) 3.924 14.242 ( 1.167 0.000 0.303) 1.205 14.359 ( 2.075 0.000 6.181) 6.520 14.442 ( 2.017 0.000 0.751) 2.152 17.680 ( 1.059 0.000 -1.708) 2.010 17.776 ( 1.834 0.000 2.318) 2.956 17.831 ( -2.326 0.000 -0.234) 2.338 17.915 ( -0.773 0.000 0.265) 0.817 19.664 ( -0.288 0.000 0.788) 0.839 19.664 ( -0.515 0.000 -1.459) 1.547 19.828 ( 0.876 0.000 -0.806) 1.190 19.834 ( 0.458 0.000 2.275) 2.321 19.937 ( 2.061 0.000 1.214) 2.392 20.008 ( 0.845 0.000 -2.525) 2.663 20.119 ( 0.130 0.000 -0.366) 0.388 20.165 ( -1.634 0.000 1.516) 2.229 20.211 ( 4.187 0.000 -2.799) 5.037 20.447 ( -2.886 0.000 5.358) 6.086 21.096 ( 0.718 0.000 1.685) 1.831 21.198 ( -1.580 0.000 0.801) 1.771 21.384 ( 1.736 0.000 1.692) 2.424 21.466 ( -0.137 0.000 -0.777) 0.789 27.423 ( 0.514 0.000 0.079) 0.520 27.468 ( -0.685 0.000 -0.100) 0.693 27.527 ( 1.068 0.000 -1.192) 1.600 27.538 ( 0.204 0.000 0.254) 0.326 28.474 ( 0.289 0.000 0.041) 0.292 28.482 ( -0.228 0.000 0.362) 0.427 34.539 ( 4.464 0.000 -0.946) 4.563 34.543 ( 4.667 0.000 1.175) 4.813 35.173 ( -6.108 0.000 5.421) 8.167 35.391 ( -11.609 0.000 -6.728) 13.418 37.571 ( -0.027 0.000 -3.322) 3.322 37.599 ( -0.858 0.000 3.468) 3.573 38.176 ( -6.689 0.000 -2.158) 7.029 38.871 ( -21.714 0.000 -7.577) 22.998 39.716 ( 0.440 0.000 8.867) 8.878 39.855 ( -1.515 0.000 -8.473) 8.608 42.047 ( 22.714 0.000 -2.509) 22.852 42.667 ( 4.622 0.000 -9.750) 10.790 ======================= Grid point 158 (70/90) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 12.322 0.000 -0.578) 12.336 1.181 ( 0.428 0.000 4.662) 4.682 1.387 ( 11.565 0.000 -6.904) 13.470 1.584 ( -4.754 0.000 6.677) 8.196 1.726 ( 1.714 0.000 5.505) 5.766 1.728 ( 3.825 0.000 -5.092) 6.369 1.874 ( -1.849 0.000 -11.630) 11.776 1.918 ( -3.366 0.000 1.145) 3.555 1.994 ( 6.466 0.000 -7.162) 9.649 2.067 ( -1.056 0.000 9.688) 9.746 2.253 ( 6.421 0.000 -1.420) 6.576 2.447 ( -10.397 0.000 -4.281) 11.244 2.671 ( 1.018 0.000 7.158) 7.230 2.754 ( -2.614 0.000 -5.774) 6.338 3.170 ( 2.959 0.000 -5.142) 5.932 3.171 ( 1.983 0.000 7.756) 8.006 3.309 ( 1.447 0.000 -1.886) 2.377 3.377 ( 0.517 0.000 5.681) 5.704 3.436 ( 3.975 0.000 7.492) 8.482 3.521 ( -2.750 0.000 -6.625) 7.173 3.729 ( 8.767 0.000 -2.511) 9.120 3.754 ( 2.292 0.000 0.496) 2.345 3.849 ( -2.565 0.000 0.782) 2.682 4.038 ( -11.078 0.000 -2.146) 11.284 4.127 ( 5.944 0.000 1.162) 6.057 4.241 ( -5.372 0.000 -1.621) 5.612 4.449 ( 3.181 0.000 2.001) 3.758 4.449 ( 3.141 0.000 5.225) 6.097 4.562 ( 1.432 0.000 -5.344) 5.533 4.634 ( -4.906 0.000 1.975) 5.289 4.892 ( 0.146 0.000 -1.267) 1.276 4.907 ( -0.952 0.000 -0.759) 1.218 5.378 ( 5.149 0.000 11.097) 12.233 5.473 ( -2.029 0.000 -11.353) 11.533 5.500 ( 3.729 0.000 10.114) 10.780 5.617 ( -6.217 0.000 -3.185) 6.985 5.981 ( 3.428 0.000 -0.311) 3.442 6.038 ( -0.600 0.000 -2.784) 2.848 6.348 ( -0.671 0.000 0.527) 0.853 6.394 ( -4.534 0.000 -0.589) 4.572 6.613 ( 1.755 0.000 5.603) 5.871 6.673 ( -2.990 0.000 -5.449) 6.215 7.013 ( 2.386 0.000 -3.582) 4.304 7.061 ( -3.644 0.000 3.511) 5.061 8.029 ( 6.878 0.000 -7.057) 9.854 8.195 ( -8.745 0.000 1.480) 8.869 8.518 ( 13.754 0.000 6.369) 15.158 8.815 ( -13.597 0.000 -3.755) 14.106 10.026 ( 0.330 0.000 -2.137) 2.163 10.034 ( -0.544 0.000 2.341) 2.403 10.237 ( 0.006 0.000 1.863) 1.863 10.241 ( -0.138 0.000 -1.934) 1.939 11.393 ( 3.479 0.000 4.170) 5.431 11.508 ( -6.909 0.000 -4.839) 8.436 11.767 ( 0.729 0.000 1.851) 1.990 11.805 ( -2.662 0.000 -1.870) 3.254 12.440 ( 1.260 0.000 -6.176) 6.303 12.456 ( -0.855 0.000 6.469) 6.525 13.255 ( 2.415 0.000 -14.574) 14.772 13.259 ( 0.841 0.000 12.065) 12.095 13.553 ( 2.723 0.000 1.492) 3.105 13.613 ( -3.321 0.000 -0.151) 3.325 14.254 ( 0.036 0.000 3.487) 3.488 14.255 ( 0.502 0.000 -4.696) 4.722 14.417 ( 2.516 0.000 2.789) 3.756 14.456 ( -0.762 0.000 -0.269) 0.808 17.711 ( 1.985 0.000 -0.495) 2.045 17.758 ( -2.446 0.000 -0.394) 2.478 17.845 ( 2.253 0.000 1.942) 2.974 17.889 ( -1.730 0.000 -0.781) 1.898 19.657 ( -0.015 0.000 -1.149) 1.149 19.659 ( -0.250 0.000 0.905) 0.939 19.842 ( 0.576 0.000 -1.836) 1.924 19.844 ( 0.127 0.000 2.455) 2.459 19.977 ( 1.581 0.000 1.523) 2.195 20.004 ( -0.762 0.000 -1.885) 2.033 20.120 ( 0.162 0.000 -0.639) 0.660 20.130 ( -1.126 0.000 1.321) 1.736 20.304 ( 4.448 0.000 -5.265) 6.892 20.382 ( -3.835 0.000 5.491) 6.698 21.122 ( 1.564 0.000 1.601) 2.238 21.161 ( -1.928 0.000 -0.818) 2.094 21.416 ( 1.237 0.000 2.223) 2.544 21.444 ( -1.207 0.000 -2.476) 2.755 27.437 ( 0.715 0.000 0.145) 0.730 27.452 ( -0.778 0.000 -0.077) 0.782 27.540 ( 0.363 0.000 -0.978) 1.043 27.542 ( 0.068 0.000 0.580) 0.584 28.477 ( 0.073 0.000 -0.259) 0.269 28.478 ( -0.123 0.000 0.398) 0.416 34.623 ( 3.061 0.000 -1.578) 3.444 34.629 ( 2.553 0.000 1.752) 3.097 35.099 ( -0.931 0.000 6.303) 6.371 35.176 ( -7.397 0.000 -7.543) 10.565 37.576 ( 0.631 0.000 -2.878) 2.946 37.586 ( -0.715 0.000 2.987) 3.071 38.212 ( 7.425 0.000 10.193) 12.611 38.467 ( -15.750 0.000 -11.218) 19.336 39.759 ( 2.140 0.000 10.150) 10.373 39.813 ( -1.762 0.000 -10.123) 10.276 42.417 ( 13.812 0.000 -1.914) 13.944 42.625 ( -6.544 0.000 -1.098) 6.636 ======================= Grid point 162 (71/90) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 3.886 10.067 -17.765) 20.785 0.780 ( -3.886 10.067 17.765) 20.785 1.313 ( -3.117 26.576 -13.127) 29.805 1.313 ( 3.117 26.576 13.127) 29.805 1.555 ( -8.902 1.803 -2.866) 9.524 1.555 ( 8.902 1.803 2.866) 9.524 1.775 ( -7.513 16.893 -20.659) 27.724 1.775 ( 7.513 16.893 20.659) 27.724 2.120 ( -8.115 -1.574 -9.471) 12.571 2.120 ( 8.115 -1.574 9.471) 12.571 2.625 ( -4.854 2.127 -9.151) 10.574 2.625 ( 4.854 2.127 9.151) 10.574 2.738 ( -4.624 2.191 -8.628) 10.031 2.738 ( 4.624 2.191 8.628) 10.031 2.981 ( -3.026 2.339 -2.745) 4.708 2.981 ( 3.026 2.339 2.745) 4.708 3.183 ( -2.407 6.035 -3.296) 7.286 3.183 ( 2.407 6.035 3.296) 7.286 3.500 ( -3.809 3.879 -1.198) 5.567 3.500 ( 3.809 3.879 1.198) 5.567 3.599 ( 3.664 -2.189 -5.928) 7.304 3.599 ( -3.664 -2.189 5.928) 7.304 3.999 ( 1.991 -1.988 -3.661) 4.618 3.999 ( -1.991 -1.988 3.661) 4.618 4.199 ( -6.032 5.000 -3.957) 8.777 4.199 ( 6.032 5.000 3.957) 8.777 4.484 ( -2.806 -2.107 -1.135) 3.688 4.484 ( 2.806 -2.107 1.135) 3.688 4.566 ( 1.158 3.908 -1.450) 4.326 4.566 ( -1.158 3.908 1.450) 4.326 4.991 ( -3.869 -2.494 -4.004) 6.101 4.991 ( 3.869 -2.494 4.004) 6.101 5.215 ( -8.493 2.017 -2.647) 9.122 5.215 ( 8.493 2.017 2.647) 9.122 5.626 ( -0.092 -7.886 -3.111) 8.478 5.626 ( 0.092 -7.886 3.111) 8.478 5.936 ( 1.502 0.298 -2.851) 3.236 5.936 ( -1.502 0.298 2.851) 3.236 6.498 ( -2.774 -2.833 -4.415) 5.934 6.498 ( 2.774 -2.833 4.415) 5.934 6.799 ( -2.063 3.603 -5.362) 6.782 6.799 ( 2.063 3.603 5.362) 6.782 7.046 ( -3.367 -1.675 -2.095) 4.305 7.046 ( 3.367 -1.675 2.095) 4.305 7.984 ( -1.533 1.539 -6.218) 6.586 7.984 ( 1.533 1.539 6.218) 6.586 8.990 ( -8.294 -4.958 -5.746) 11.242 8.990 ( 8.294 -4.958 5.746) 11.242 10.076 ( 0.677 -2.146 -3.348) 4.034 10.076 ( -0.677 -2.146 3.348) 4.034 10.289 ( 0.837 0.566 -1.445) 1.764 10.289 ( -0.837 0.566 1.445) 1.764 11.648 ( -4.262 -6.818 -2.651) 8.466 11.648 ( 4.262 -6.818 2.651) 8.466 12.088 ( 2.942 7.007 -8.973) 11.758 12.088 ( -2.942 7.007 8.973) 11.758 12.457 ( -1.998 -1.242 -1.689) 2.896 12.457 ( 1.998 -1.242 1.689) 2.896 13.071 ( -7.677 9.165 -3.357) 12.418 13.071 ( 7.677 9.165 3.357) 12.418 13.455 ( -9.497 -5.014 -3.846) 11.407 13.455 ( 9.497 -5.014 3.846) 11.407 14.081 ( -2.579 -4.019 -3.064) 5.674 14.081 ( 2.579 -4.019 3.064) 5.674 14.345 ( -0.245 -1.063 -4.678) 4.804 14.345 ( 0.245 -1.063 4.678) 4.804 17.685 ( -1.079 -0.546 -3.074) 3.303 17.685 ( 1.079 -0.546 3.074) 3.303 17.925 ( -2.571 0.099 -0.838) 2.706 17.925 ( 2.571 0.099 0.838) 2.706 19.703 ( -0.578 1.188 -1.529) 2.021 19.703 ( 0.578 1.188 1.529) 2.021 19.799 ( -2.732 -3.548 -0.230) 4.484 19.799 ( 2.732 -3.548 0.230) 4.484 19.867 ( -1.241 1.682 -0.736) 2.216 19.867 ( 1.241 1.682 0.736) 2.216 20.069 ( -0.591 -2.878 -0.179) 2.944 20.069 ( 0.591 -2.878 0.179) 2.944 20.345 ( -5.559 -2.862 0.698) 6.291 20.345 ( 5.559 -2.862 -0.698) 6.291 21.155 ( -2.052 -1.098 -2.889) 3.710 21.155 ( 2.052 -1.098 2.889) 3.710 21.331 ( 0.211 0.931 -0.550) 1.102 21.331 ( -0.211 0.931 0.550) 1.102 27.442 ( -0.923 -0.030 -0.412) 1.011 27.442 ( 0.923 -0.030 0.412) 1.011 27.531 ( -0.544 1.220 -0.480) 1.420 27.531 ( 0.544 1.220 0.480) 1.420 28.486 ( -0.587 0.991 -0.271) 1.183 28.486 ( 0.587 0.991 0.271) 1.183 34.492 ( -0.194 5.896 -0.070) 5.900 34.492 ( 0.194 5.896 0.070) 5.900 35.691 ( -5.514 14.638 -18.390) 24.143 35.691 ( 5.514 14.638 18.390) 24.143 37.829 ( -1.597 18.789 -5.295) 19.586 37.829 ( 1.597 18.789 5.295) 19.586 39.384 ( 10.469 -2.810 -6.516) 12.647 39.384 ( -10.469 -2.810 6.516) 12.647 40.070 ( -9.978 -5.000 -0.009) 11.161 40.070 ( 9.978 -5.000 0.009) 11.161 41.273 ( -26.719 -8.706 -5.088) 28.559 41.273 ( 26.719 -8.706 5.088) 28.559 ======================= Grid point 164 (72/90) ======================= q-point: ( 0.14 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 7.334 9.605 6.946) 13.939 0.946 ( 7.409 10.289 -6.600) 14.294 1.170 ( -5.589 13.033 -24.439) 28.256 1.421 ( 2.907 4.691 3.933) 6.777 1.479 ( 7.437 21.208 5.454) 23.127 1.655 ( 7.168 17.760 -14.179) 23.830 1.799 ( 2.793 1.901 1.209) 3.588 1.915 ( 3.887 2.312 7.462) 8.726 2.038 ( 1.269 14.214 2.076) 14.420 2.265 ( 1.047 0.873 -1.994) 2.416 2.533 ( -1.620 0.047 -1.933) 2.523 2.653 ( -2.912 10.072 -7.011) 12.613 2.766 ( 1.820 -0.613 2.776) 3.376 2.800 ( 3.246 -0.172 14.240) 14.606 2.940 ( 0.353 -1.555 2.753) 3.182 3.013 ( -0.819 1.255 6.988) 7.147 3.054 ( -2.180 7.954 -5.262) 9.783 3.313 ( 4.048 2.049 -1.002) 4.647 3.461 ( 0.972 3.654 3.600) 5.221 3.557 ( -0.150 -1.219 6.715) 6.826 3.594 ( 4.169 3.648 3.752) 6.691 3.676 ( 3.736 -1.069 -6.579) 7.641 3.941 ( -4.349 -1.549 0.433) 4.637 4.007 ( -1.041 -1.829 -2.814) 3.514 4.104 ( -2.510 -2.353 -0.434) 3.468 4.320 ( 2.447 6.581 4.096) 8.128 4.367 ( -1.725 -0.461 1.353) 2.241 4.541 ( 1.362 2.532 0.281) 2.889 4.567 ( -1.500 6.741 -6.398) 9.414 4.620 ( 4.105 -3.495 -0.224) 5.396 4.930 ( -1.322 -1.170 -4.333) 4.679 4.999 ( -3.000 5.143 -0.924) 6.026 5.164 ( 4.109 -6.185 5.445) 9.208 5.382 ( 4.974 0.175 1.428) 5.178 5.558 ( -2.747 -1.356 1.354) 3.349 5.676 ( 1.206 -8.722 0.912) 8.852 5.887 ( -0.094 -0.141 0.978) 0.992 6.013 ( 2.903 1.288 -0.670) 3.245 6.420 ( -4.079 -4.454 -3.211) 6.840 6.527 ( -0.779 -1.515 3.818) 4.181 6.665 ( -6.458 2.203 -0.692) 6.858 6.826 ( -2.223 -5.015 -2.719) 6.123 6.939 ( -5.491 1.474 2.699) 6.294 7.141 ( 3.947 -1.082 0.728) 4.157 7.964 ( 0.047 0.839 -5.437) 5.502 8.077 ( 6.884 5.860 6.548) 11.163 8.726 ( -13.237 -0.288 -8.928) 15.970 9.101 ( 0.588 -5.442 -0.095) 5.474 10.054 ( -1.347 -1.022 4.085) 4.420 10.068 ( -0.957 -1.054 -3.046) 3.363 10.272 ( -0.694 1.216 1.459) 2.022 10.281 ( -1.203 0.927 -1.362) 2.040 11.479 ( -7.859 -2.094 -3.537) 8.869 11.676 ( -1.392 -4.697 -0.871) 4.976 11.969 ( -4.378 7.873 0.931) 9.057 12.129 ( -4.039 9.709 -3.682) 11.142 12.420 ( -0.559 0.319 -1.041) 1.224 12.504 ( 0.152 0.339 0.124) 0.391 12.947 ( 3.044 -1.774 0.260) 3.533 13.254 ( 3.952 6.365 -4.950) 8.979 13.361 ( 1.344 -2.102 1.174) 2.757 13.656 ( 5.383 -5.553 6.212) 9.920 14.067 ( 2.106 -6.123 -2.454) 6.924 14.164 ( 4.751 -4.563 2.667) 7.107 14.294 ( -2.553 -2.419 0.305) 3.530 14.390 ( 1.904 -1.154 1.046) 2.460 17.655 ( -0.773 -1.394 -1.100) 1.937 17.740 ( 3.060 0.073 1.359) 3.350 17.844 ( -3.724 -1.279 0.084) 3.938 17.981 ( 1.517 2.936 -0.137) 3.307 19.680 ( -0.955 -0.060 -1.844) 2.078 19.697 ( -0.770 1.728 0.604) 1.986 19.771 ( -0.405 -3.364 0.226) 3.396 19.840 ( -0.147 0.344 0.721) 0.812 19.884 ( 2.927 -1.550 0.612) 3.368 19.930 ( 4.420 -0.724 -1.877) 4.857 20.066 ( 0.670 -3.950 -0.115) 4.008 20.081 ( 0.428 -2.911 0.061) 2.943 20.241 ( -3.943 -0.699 2.449) 4.694 20.426 ( 1.417 -3.569 2.953) 4.844 21.094 ( -1.762 -0.405 0.291) 1.832 21.186 ( -0.379 -2.556 1.331) 2.907 21.344 ( 1.710 0.184 0.848) 1.918 21.413 ( 4.717 -0.090 0.932) 4.809 27.427 ( -0.063 0.648 -0.278) 0.708 27.468 ( 1.002 -0.502 -0.393) 1.187 27.523 ( 0.001 1.533 -0.380) 1.579 27.542 ( 0.308 0.678 0.371) 0.832 28.476 ( -0.181 0.798 -0.210) 0.845 28.494 ( 0.103 0.975 0.264) 1.015 34.523 ( 3.135 5.804 0.031) 6.596 34.531 ( 3.443 6.718 0.322) 7.555 35.484 ( -10.089 14.103 -5.574) 18.214 35.740 ( -5.916 12.624 13.634) 19.500 37.770 ( -2.839 16.302 -2.235) 16.698 37.868 ( 0.269 21.077 6.311) 22.003 38.690 ( -42.213 1.653 -16.343) 45.297 39.274 ( -16.860 -3.580 -5.515) 18.097 39.772 ( -6.091 1.575 4.585) 7.785 39.954 ( -6.998 1.287 -3.597) 7.973 41.416 ( 25.869 -8.750 -5.244) 27.808 42.106 ( 33.456 -19.666 -11.540) 40.488 ======================= Grid point 165 (73/90) ======================= q-point: ( 0.29 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 3.949 7.727 -12.123) 14.908 1.099 ( 10.649 8.392 5.776) 14.737 1.281 ( 13.728 10.695 -10.259) 20.201 1.561 ( 9.094 2.897 2.932) 9.984 1.664 ( 7.308 7.992 2.567) 11.130 1.757 ( 1.921 5.565 -5.792) 8.259 1.871 ( 5.534 4.797 -5.603) 9.221 1.981 ( 0.601 -1.583 7.429) 7.620 2.078 ( 0.621 17.932 -0.999) 17.971 2.163 ( -4.558 13.410 -8.004) 16.269 2.455 ( -10.395 4.787 -0.951) 11.484 2.647 ( 5.799 -1.463 0.487) 6.001 2.738 ( 0.505 5.543 2.663) 6.170 2.791 ( -7.399 6.560 -2.116) 10.113 2.992 ( 5.567 -3.793 1.424) 6.885 3.073 ( 4.611 -2.550 7.078) 8.824 3.127 ( 6.377 2.231 7.085) 9.790 3.322 ( -2.659 -1.996 1.084) 3.497 3.495 ( 0.062 5.737 -0.841) 5.798 3.581 ( -0.898 1.133 -1.315) 1.954 3.678 ( 3.027 -1.932 5.358) 6.450 3.734 ( 3.439 3.140 -1.412) 4.866 3.855 ( -2.693 -3.943 -0.376) 4.790 3.970 ( -0.861 -4.918 0.077) 4.993 4.056 ( -2.255 -5.062 0.145) 5.544 4.322 ( 1.532 1.766 1.057) 2.565 4.384 ( -2.313 -1.771 -3.384) 4.465 4.503 ( -1.926 7.434 -2.303) 8.017 4.612 ( 4.361 5.280 0.440) 6.862 4.677 ( 1.391 -0.658 0.477) 1.611 4.889 ( -1.366 -0.221 -1.864) 2.321 5.021 ( 3.087 8.906 1.120) 9.492 5.258 ( 3.690 -6.212 6.416) 9.663 5.373 ( -3.234 -4.217 4.121) 6.725 5.564 ( 1.941 4.474 -3.674) 6.106 5.675 ( -0.918 -4.663 2.491) 5.366 5.913 ( 1.457 -0.898 -1.664) 2.387 6.056 ( 1.536 3.223 -1.134) 3.746 6.329 ( -4.172 -6.342 -1.292) 7.700 6.467 ( -5.099 -0.207 3.601) 6.246 6.551 ( -3.867 -4.833 -0.233) 6.194 6.773 ( -7.018 -7.956 -2.006) 10.797 6.853 ( 2.782 1.591 -0.584) 3.258 7.186 ( -0.054 0.291 0.005) 0.296 7.972 ( 1.981 2.040 -6.279) 6.893 8.258 ( 7.528 5.490 3.133) 9.830 8.493 ( -6.560 4.829 -1.746) 8.331 9.031 ( -6.712 -1.866 -1.346) 7.096 10.041 ( -0.457 -0.000 3.194) 3.226 10.042 ( -0.855 0.498 -3.071) 3.226 10.249 ( -0.826 0.560 0.562) 1.145 10.272 ( -0.200 1.978 -0.176) 1.996 11.385 ( -1.172 1.477 0.903) 2.091 11.618 ( -3.822 -2.071 -2.947) 5.252 11.889 ( -3.382 7.732 -0.289) 8.444 11.992 ( -6.782 9.412 -0.547) 11.614 12.427 ( 1.166 0.968 -2.177) 2.653 12.496 ( -0.501 2.811 1.747) 3.347 13.081 ( 7.235 -5.871 -0.945) 9.366 13.290 ( 1.632 3.366 -4.830) 6.109 13.428 ( 3.121 -3.728 2.148) 5.315 13.669 ( -2.933 -2.593 2.641) 4.722 14.127 ( 2.841 -7.841 -1.504) 8.475 14.242 ( -1.702 -2.613 -0.618) 3.180 14.273 ( 4.386 -6.949 3.218) 8.825 14.420 ( 0.599 -2.634 1.430) 3.057 17.650 ( 0.390 -2.267 -0.610) 2.379 17.763 ( -2.509 -4.304 -0.131) 4.983 17.824 ( 3.144 3.769 1.324) 5.083 17.989 ( -0.667 4.716 -0.095) 4.764 19.663 ( -0.449 -0.100 -1.182) 1.269 19.687 ( -0.492 1.660 0.376) 1.772 19.775 ( 0.862 -3.815 0.582) 3.955 19.841 ( -0.050 -0.696 0.654) 0.956 19.930 ( 1.801 -0.674 1.177) 2.255 19.991 ( 1.216 -1.270 -2.300) 2.895 20.085 ( 0.014 -3.207 0.140) 3.210 20.093 ( 0.779 -6.424 -0.354) 6.481 20.210 ( 1.426 0.385 -0.772) 1.667 20.414 ( -2.509 -2.846 4.359) 5.779 21.082 ( 0.304 -1.260 0.800) 1.523 21.165 ( -1.460 -2.614 0.298) 3.009 21.385 ( 1.925 0.133 1.104) 2.223 21.467 ( 0.486 -0.186 -0.504) 0.725 27.434 ( 0.586 0.908 0.071) 1.083 27.474 ( -0.276 0.295 -0.363) 0.543 27.531 ( 0.707 0.768 -0.654) 1.231 27.545 ( 0.036 0.412 0.297) 0.510 28.477 ( 0.257 0.503 -0.198) 0.599 28.492 ( -0.285 0.933 0.383) 1.049 34.613 ( 5.283 6.825 -0.373) 8.639 34.624 ( 5.100 7.519 0.951) 9.135 35.291 ( -7.937 11.006 -0.647) 13.585 35.512 ( -14.223 10.754 2.125) 17.957 37.717 ( -1.595 13.884 -3.100) 14.315 37.822 ( -5.023 19.621 3.589) 20.569 38.188 ( -6.158 1.143 -1.666) 6.481 38.847 ( -20.770 -2.354 -6.751) 21.966 39.742 ( 0.647 2.637 8.358) 8.788 39.879 ( -1.364 2.485 -8.217) 8.692 41.931 ( 22.106 -11.111 -2.657) 24.883 42.486 ( 7.211 -16.764 -6.382) 19.333 ======================= Grid point 166 (74/90) ======================= q-point: ( 0.43 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 10.856 6.615 -3.369) 13.152 1.229 ( -2.104 6.933 3.080) 7.873 1.554 ( 12.995 10.763 3.931) 17.325 1.722 ( 3.995 2.313 -2.611) 5.303 1.738 ( 0.510 5.717 0.517) 5.763 1.820 ( 6.193 -5.293 -8.526) 11.792 1.899 ( -11.013 7.818 -5.144) 14.452 1.954 ( -1.759 -0.423 1.632) 2.437 2.008 ( 4.072 15.682 0.591) 16.212 2.132 ( -3.851 7.776 4.432) 9.744 2.383 ( 5.808 10.303 -0.219) 11.830 2.578 ( -10.767 9.010 -4.284) 14.678 2.745 ( 3.902 7.652 4.060) 9.501 2.801 ( 1.038 5.146 -1.437) 5.443 3.094 ( 3.049 -4.737 2.303) 6.086 3.164 ( -3.795 0.106 -1.846) 4.221 3.212 ( 8.356 -8.098 4.833) 12.600 3.354 ( 6.708 -4.136 5.915) 9.854 3.412 ( -6.406 0.619 -4.539) 7.875 3.521 ( -5.233 0.272 -4.505) 6.911 3.663 ( 1.619 -2.024 1.083) 2.809 3.771 ( -5.927 -5.628 0.827) 8.215 3.883 ( 6.795 2.495 2.116) 7.541 3.989 ( -3.612 -5.199 0.774) 6.378 4.069 ( 7.947 -0.770 0.643) 8.010 4.248 ( -8.278 0.008 -5.005) 9.674 4.395 ( 4.407 -0.781 2.109) 4.948 4.475 ( -2.236 0.449 -1.132) 2.546 4.677 ( 1.438 8.004 -3.048) 8.685 4.684 ( -0.334 5.848 3.672) 6.913 4.909 ( 3.446 2.442 1.078) 4.359 5.007 ( -4.549 6.139 -1.510) 7.788 5.332 ( 2.657 -5.663 5.795) 8.527 5.361 ( 0.432 -5.679 0.482) 5.716 5.602 ( 2.800 6.050 -1.973) 6.952 5.655 ( -1.695 2.347 1.544) 3.281 5.947 ( 3.036 -2.530 0.713) 4.015 6.039 ( -3.725 -0.345 -3.734) 5.286 6.285 ( 1.101 -4.798 -0.737) 4.978 6.362 ( -5.449 -1.928 1.839) 6.065 6.516 ( 1.579 -6.269 1.767) 6.702 6.613 ( -6.802 -6.397 -2.633) 9.702 6.981 ( 7.908 0.123 -0.397) 7.919 7.129 ( -5.534 1.354 0.415) 5.712 8.053 ( 6.634 2.014 -5.555) 8.884 8.211 ( -8.108 1.109 1.074) 8.254 8.598 ( 11.557 7.646 5.338) 14.850 8.843 ( -10.881 3.171 -2.959) 11.714 10.032 ( 0.158 0.609 -2.435) 2.515 10.037 ( -0.380 0.230 2.318) 2.360 10.247 ( 0.450 0.865 0.790) 1.255 10.262 ( -0.728 1.591 -0.525) 1.827 11.416 ( 3.425 2.236 4.589) 6.148 11.517 ( -5.209 1.041 -5.032) 7.317 11.849 ( -0.213 6.920 1.134) 7.015 11.884 ( -3.441 7.115 -1.333) 8.015 12.454 ( 1.716 1.705 -3.466) 4.226 12.483 ( -1.277 2.446 3.656) 4.581 13.209 ( 5.324 -2.912 -1.974) 6.382 13.288 ( -2.100 1.005 -0.348) 2.354 13.500 ( 4.038 -4.487 0.920) 6.106 13.590 ( -4.408 -2.577 0.593) 5.140 14.171 ( 1.796 -6.958 -1.039) 7.260 14.205 ( -1.668 -5.373 0.443) 5.643 14.360 ( 3.425 -5.334 0.640) 6.371 14.412 ( -1.558 -4.163 0.835) 4.523 17.669 ( 1.496 -3.084 -0.166) 3.431 17.709 ( -2.361 -3.686 -0.075) 4.378 17.897 ( 3.366 4.387 0.797) 5.586 17.957 ( -2.309 4.958 -0.333) 5.480 19.661 ( 0.375 0.297 -0.590) 0.759 19.673 ( -0.737 1.050 0.286) 1.314 19.804 ( 1.590 -3.186 0.509) 3.597 19.832 ( -0.942 -1.794 0.127) 2.030 19.965 ( 1.425 -1.074 1.277) 2.194 19.990 ( -0.761 -1.174 -1.604) 2.128 20.085 ( -0.001 -3.439 0.308) 3.453 20.089 ( -0.417 -4.260 -0.119) 4.282 20.275 ( 4.050 -1.832 -3.971) 5.960 20.351 ( -3.806 -2.416 4.611) 6.449 21.100 ( 1.249 -1.901 0.975) 2.475 21.132 ( -1.642 -2.367 -0.649) 2.953 21.422 ( 1.599 0.425 1.351) 2.136 21.454 ( -1.218 0.526 -1.462) 1.974 27.448 ( 0.707 0.954 0.242) 1.212 27.463 ( -0.671 0.819 -0.285) 1.096 27.542 ( 0.367 0.335 -0.727) 0.881 27.545 ( -0.046 0.329 0.524) 0.621 28.482 ( 0.227 0.574 -0.354) 0.712 28.486 ( -0.263 0.787 0.429) 0.934 34.714 ( 3.675 8.566 -1.763) 9.486 34.720 ( 3.065 8.310 2.138) 9.112 35.180 ( -1.836 7.920 1.528) 8.273 35.258 ( -9.016 7.920 -2.140) 12.190 37.706 ( 0.839 12.398 -3.239) 12.842 37.740 ( -2.863 13.760 2.757) 14.323 38.228 ( 6.900 1.609 9.859) 12.141 38.465 ( -14.754 -0.268 -10.343) 18.020 39.786 ( 2.145 2.769 9.662) 10.277 39.840 ( -1.712 2.681 -9.683) 10.192 42.293 ( 13.467 -11.887 -1.890) 18.062 42.487 ( -5.303 -13.215 -0.466) 14.247 ======================= Grid point 170 (75/90) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.833 16.214 -10.845) 19.592 1.054 ( -1.833 16.214 10.845) 19.592 1.554 ( -4.768 1.129 -0.681) 4.947 1.554 ( 4.768 1.129 0.681) 4.947 1.700 ( -10.722 9.771 -15.241) 21.041 1.700 ( 10.722 9.771 15.241) 21.041 2.071 ( -7.938 7.409 -14.814) 18.367 2.071 ( 7.938 7.409 14.814) 18.367 2.332 ( -5.332 20.968 -2.512) 21.780 2.332 ( 5.332 20.968 2.512) 21.780 2.724 ( -1.705 5.490 -1.310) 5.896 2.724 ( 1.705 5.490 1.310) 5.896 2.768 ( -0.988 4.498 -5.741) 7.360 2.768 ( 0.988 4.498 5.741) 7.360 3.063 ( -3.299 5.253 -3.318) 7.035 3.063 ( 3.299 5.253 3.318) 7.035 3.307 ( -3.665 6.264 -4.647) 8.617 3.307 ( 3.665 6.264 4.647) 8.617 3.563 ( -0.386 3.004 -4.828) 5.699 3.563 ( 0.386 3.004 4.828) 5.699 3.661 ( 2.797 7.288 -5.599) 9.607 3.661 ( -2.797 7.288 5.599) 9.607 3.985 ( 3.845 0.886 -5.754) 6.977 3.985 ( -3.845 0.886 5.754) 6.977 4.294 ( -4.960 2.342 -3.607) 6.565 4.294 ( 4.960 2.342 3.607) 6.565 4.431 ( -2.285 -0.224 -4.786) 5.308 4.431 ( 2.285 -0.224 4.786) 5.308 4.635 ( 1.074 1.873 -3.549) 4.154 4.635 ( -1.074 1.873 3.549) 4.154 4.909 ( -0.145 -6.712 -2.244) 7.079 4.909 ( 0.145 -6.712 2.244) 7.079 5.256 ( -5.572 2.483 -4.795) 7.759 5.256 ( 5.572 2.483 4.795) 7.759 5.554 ( -0.240 0.485 -4.507) 4.540 5.554 ( 0.240 0.485 4.507) 4.540 5.904 ( 3.522 -2.181 -3.469) 5.404 5.904 ( -3.522 -2.181 3.469) 5.404 6.402 ( -3.410 -6.443 -3.273) 7.991 6.402 ( 3.410 -6.443 3.273) 7.991 6.762 ( 1.786 -5.549 -7.065) 9.160 6.762 ( -1.786 -5.549 7.065) 9.160 7.019 ( 3.879 -1.665 -4.525) 6.188 7.019 ( -3.879 -1.665 4.525) 6.188 8.078 ( -4.269 7.545 -8.245) 11.963 8.078 ( 4.269 7.545 8.245) 11.963 8.922 ( -6.308 -1.847 -5.983) 8.888 8.922 ( 6.308 -1.847 5.983) 8.888 10.055 ( 0.794 -0.228 -3.562) 3.657 10.055 ( -0.794 -0.228 3.562) 3.657 10.281 ( 0.035 -1.246 -1.114) 1.672 10.281 ( -0.035 -1.246 1.114) 1.672 11.567 ( -2.648 -1.700 -2.734) 4.168 11.567 ( 2.648 -1.700 2.734) 4.168 12.153 ( -1.146 0.747 -4.116) 4.337 12.153 ( 1.146 0.747 4.116) 4.337 12.503 ( 2.412 4.831 -2.923) 6.140 12.503 ( -2.412 4.831 2.923) 6.140 13.164 ( -7.791 -1.838 -3.636) 8.792 13.164 ( 7.791 -1.838 3.636) 8.792 13.379 ( -4.878 -0.383 -3.009) 5.744 13.379 ( 4.878 -0.383 3.009) 5.744 13.981 ( -1.455 -5.674 -2.884) 6.529 13.981 ( 1.455 -5.674 2.884) 6.529 14.300 ( -0.486 -3.414 -3.330) 4.794 14.300 ( 0.486 -3.414 3.330) 4.794 17.667 ( -0.715 -1.177 -2.319) 2.697 17.667 ( 0.715 -1.177 2.319) 2.697 17.931 ( -2.857 0.498 -1.391) 3.216 17.931 ( 2.857 0.498 1.391) 3.216 19.688 ( -0.889 -3.279 -1.055) 3.557 19.688 ( 0.889 -3.279 1.055) 3.557 19.731 ( -1.632 -2.314 -1.387) 3.153 19.731 ( 1.632 -2.314 1.387) 3.153 19.902 ( -1.455 0.709 -0.903) 1.853 19.902 ( 1.455 0.709 0.903) 1.853 20.011 ( -0.307 -1.732 -0.826) 1.944 20.011 ( 0.307 -1.732 0.826) 1.944 20.296 ( -0.942 -1.960 -0.425) 2.215 20.296 ( 0.942 -1.960 0.425) 2.215 21.124 ( -1.819 -1.773 -2.304) 3.429 21.124 ( 1.819 -1.773 2.304) 3.429 21.348 ( 0.808 0.639 -0.712) 1.252 21.348 ( -0.808 0.639 0.712) 1.252 27.443 ( -0.485 0.118 -0.419) 0.651 27.443 ( 0.485 0.118 0.419) 0.651 27.552 ( -0.068 0.780 -0.696) 1.048 27.552 ( 0.068 0.780 0.696) 1.048 28.510 ( -0.444 1.314 -0.407) 1.446 28.510 ( 0.444 1.314 0.407) 1.446 34.655 ( -0.754 9.806 -0.217) 9.838 34.655 ( 0.754 9.806 0.217) 9.838 35.983 ( -5.147 13.620 -17.620) 22.858 35.983 ( 5.147 13.620 17.620) 22.858 38.217 ( -1.346 17.307 -3.556) 17.720 38.217 ( 1.346 17.307 3.556) 17.720 39.306 ( 7.178 -4.329 -3.021) 8.910 39.306 ( -7.178 -4.329 3.021) 8.910 39.999 ( -3.750 -1.140 -1.957) 4.381 39.999 ( 3.750 -1.140 1.957) 4.381 41.066 ( -14.421 -11.390 -6.449) 19.476 41.066 ( 14.421 -11.390 6.449) 19.476 ======================= Grid point 172 (76/90) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 3.713 15.031 3.006) 15.772 1.190 ( 9.164 12.691 -3.097) 15.957 1.350 ( -12.259 8.800 -17.090) 22.799 1.500 ( 0.717 5.770 -4.108) 7.119 1.755 ( 8.499 -2.990 0.887) 9.053 1.842 ( 2.301 6.161 7.021) 9.620 1.941 ( -1.708 9.748 -10.292) 14.278 2.117 ( -5.254 15.217 -6.694) 17.435 2.348 ( 5.343 9.498 7.549) 13.257 2.457 ( 3.474 17.607 7.756) 19.551 2.599 ( -6.741 5.400 -6.070) 10.557 2.756 ( 3.803 -1.341 10.257) 11.021 2.779 ( 1.145 2.765 1.431) 3.318 2.857 ( 2.749 11.307 2.234) 11.849 2.981 ( -3.036 4.473 -2.136) 5.812 3.097 ( -1.328 6.042 6.650) 9.082 3.246 ( -1.141 12.130 -6.753) 13.930 3.360 ( -0.175 2.131 3.177) 3.830 3.521 ( 2.483 3.594 3.397) 5.534 3.600 ( -0.547 0.444 0.033) 0.706 3.654 ( 0.466 4.491 1.404) 4.729 3.735 ( 4.063 6.404 -1.329) 7.700 3.920 ( -2.890 0.319 2.050) 3.557 4.024 ( -0.447 2.991 -3.818) 4.871 4.121 ( -9.030 5.735 -3.729) 11.329 4.340 ( -0.398 -2.235 -1.599) 2.777 4.404 ( -0.493 1.661 -0.202) 1.745 4.469 ( 0.719 -5.278 1.135) 5.447 4.617 ( 2.129 2.118 2.724) 4.054 4.719 ( 3.868 4.452 -3.047) 6.639 4.882 ( 0.432 -3.205 1.648) 3.630 4.984 ( 3.075 -10.727 0.095) 11.159 5.147 ( -1.825 6.517 0.419) 6.781 5.349 ( 0.629 -1.813 2.786) 3.383 5.578 ( 1.623 -1.344 3.702) 4.260 5.582 ( 3.325 3.001 -5.139) 6.817 5.881 ( 1.102 1.225 2.742) 3.199 6.008 ( 6.077 -1.392 -2.119) 6.585 6.297 ( -6.188 -7.732 -2.082) 10.120 6.441 ( 0.230 -6.078 3.137) 6.843 6.672 ( -7.042 -5.710 -4.698) 10.211 6.706 ( -4.932 -0.753 0.772) 5.049 6.933 ( -4.375 -2.824 4.433) 6.838 7.093 ( 3.223 -2.633 -1.658) 4.480 8.019 ( -0.250 4.810 -4.679) 6.715 8.244 ( 8.876 9.536 5.829) 14.272 8.736 ( -9.109 0.739 -5.318) 10.574 9.027 ( 2.465 -1.290 1.962) 3.404 10.044 ( -0.519 -0.166 3.214) 3.260 10.063 ( 0.290 0.278 -3.744) 3.766 10.267 ( -1.116 -1.352 0.313) 1.781 10.289 ( 0.532 -0.451 0.498) 0.857 11.468 ( -3.910 0.853 -0.610) 4.048 11.620 ( 0.724 -1.165 -1.729) 2.207 12.082 ( -2.875 3.453 -0.546) 4.526 12.228 ( 0.784 0.018 0.073) 0.788 12.462 ( -1.145 3.535 0.083) 3.716 12.546 ( 1.800 5.224 -0.699) 5.569 12.958 ( -4.919 0.406 -0.062) 4.936 13.301 ( -0.641 -2.415 -0.168) 2.504 13.353 ( 3.665 1.321 -3.881) 5.499 13.512 ( 6.053 -6.536 5.596) 10.520 13.950 ( -0.333 -5.275 -2.494) 5.845 14.036 ( 3.034 -7.242 1.576) 8.008 14.237 ( -3.502 -3.678 0.067) 5.079 14.335 ( 0.786 -4.238 0.781) 4.380 17.624 ( -1.594 -1.594 -0.057) 2.255 17.707 ( 0.513 -2.738 -0.163) 2.790 17.863 ( -0.764 2.443 0.571) 2.622 18.024 ( 3.655 1.313 -0.150) 3.887 19.663 ( -1.011 -1.903 -1.536) 2.646 19.679 ( -0.927 -4.242 0.441) 4.364 19.712 ( 0.141 -1.619 0.117) 1.630 19.809 ( 3.676 -4.113 0.383) 5.530 19.859 ( -1.650 0.594 0.090) 1.756 19.940 ( 1.632 -0.426 0.223) 1.701 19.996 ( -0.701 -1.310 -0.419) 1.544 20.019 ( 0.127 -2.468 -0.090) 2.473 20.234 ( -2.050 -0.148 1.182) 2.371 20.355 ( 1.542 -3.159 1.105) 3.685 21.073 ( -2.038 -1.643 -1.669) 3.105 21.143 ( -0.489 -1.572 1.631) 2.317 21.349 ( 1.267 0.207 0.900) 1.568 21.406 ( 3.214 -0.626 -0.354) 3.293 27.440 ( 0.280 0.464 -0.240) 0.593 27.460 ( 0.927 -0.236 -0.002) 0.956 27.549 ( -0.130 0.483 -0.376) 0.626 27.556 ( 0.219 1.116 0.389) 1.202 28.498 ( -0.406 1.349 -0.249) 1.431 28.518 ( 0.098 1.259 0.261) 1.290 34.680 ( 3.266 9.382 0.056) 9.935 34.710 ( 4.275 10.484 0.170) 11.323 35.791 ( -10.598 15.107 -11.287) 21.632 35.997 ( -6.811 12.186 16.844) 21.877 38.147 ( -4.022 18.901 0.258) 19.326 38.246 ( 0.142 13.733 3.262) 14.116 38.768 ( -34.084 6.690 -6.544) 35.345 39.177 ( -16.778 -5.550 -3.259) 17.970 39.825 ( -3.408 3.798 4.112) 6.554 40.002 ( -3.371 3.681 -4.633) 6.811 41.181 ( 21.322 -13.998 -3.314) 25.721 41.670 ( 28.717 -21.856 -2.292) 36.161 ======================= Grid point 173 (77/90) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 3.933 15.693 -5.615) 17.125 1.283 ( 8.060 7.252 2.303) 11.084 1.410 ( 11.676 5.119 -1.680) 12.859 1.614 ( 8.899 4.725 -3.113) 10.546 1.823 ( 0.903 -0.142 -4.286) 4.382 1.872 ( -4.786 3.705 -2.782) 6.661 1.941 ( 1.154 4.509 -0.186) 4.658 2.003 ( -0.431 8.774 -5.207) 10.212 2.381 ( -9.796 4.773 3.177) 11.350 2.476 ( 2.463 2.967 -0.438) 3.882 2.538 ( 4.166 16.670 -0.975) 17.210 2.697 ( -4.454 8.226 -2.534) 9.692 2.888 ( 2.888 3.728 9.065) 10.218 2.937 ( 2.946 2.678 1.747) 4.348 2.950 ( 0.356 5.458 -5.859) 8.015 3.085 ( 1.228 5.988 10.372) 12.039 3.223 ( 0.061 8.674 1.321) 8.774 3.337 ( -1.953 1.848 0.648) 2.766 3.553 ( -4.591 -3.832 -4.170) 7.290 3.584 ( -1.214 -1.022 1.520) 2.197 3.671 ( 0.712 2.711 1.792) 3.327 3.763 ( -2.614 -3.194 2.616) 4.887 3.839 ( -1.890 11.294 0.699) 11.472 3.975 ( -3.826 2.923 -1.090) 4.937 4.030 ( 2.719 4.331 1.016) 5.214 4.304 ( -4.246 -5.714 -2.307) 7.484 4.387 ( 1.041 3.865 -2.681) 4.817 4.497 ( 0.700 -4.652 -2.008) 5.115 4.683 ( 4.386 2.874 -0.357) 5.255 4.790 ( 3.596 5.662 -0.885) 6.766 4.921 ( 2.593 2.884 1.558) 4.180 5.023 ( 0.778 -10.800 1.895) 10.993 5.180 ( 2.988 -0.122 1.830) 3.506 5.314 ( -2.938 -1.575 2.118) 3.950 5.612 ( 1.964 -1.975 -1.006) 2.961 5.662 ( 3.790 5.965 0.470) 7.083 5.914 ( 0.559 2.021 1.021) 2.332 6.104 ( 0.140 -0.443 -2.636) 2.676 6.175 ( -2.097 -7.137 -0.904) 7.493 6.428 ( -2.348 -5.154 0.791) 5.719 6.507 ( -6.231 3.309 2.535) 7.496 6.614 ( -4.730 -4.898 -2.105) 7.127 6.880 ( 0.474 -0.563 2.137) 2.260 7.136 ( 0.676 -3.888 -1.386) 4.183 8.032 ( 1.796 3.690 -3.815) 5.603 8.351 ( -2.199 2.592 -1.436) 3.690 8.637 ( 3.039 9.102 2.550) 9.929 9.033 ( -1.944 2.466 0.044) 3.140 10.041 ( -0.204 -0.061 2.435) 2.444 10.057 ( -0.374 0.721 -3.613) 3.703 10.248 ( -0.389 -0.686 0.868) 1.173 10.298 ( 0.017 0.231 0.488) 0.541 11.431 ( 0.243 2.991 2.746) 4.068 11.606 ( -1.517 0.556 -4.052) 4.362 12.023 ( -2.725 5.067 -0.175) 5.756 12.152 ( -6.440 4.880 0.245) 8.084 12.471 ( 1.768 3.132 -3.210) 4.820 12.567 ( -0.020 4.744 2.335) 5.287 12.985 ( 5.895 -3.620 -0.589) 6.943 13.324 ( 3.250 -1.837 -1.989) 4.230 13.364 ( -2.164 -1.329 -1.517) 2.958 13.575 ( -0.730 -5.900 5.002) 7.769 13.967 ( 2.023 -6.937 -2.375) 7.606 14.097 ( 1.463 -8.528 1.333) 8.754 14.178 ( -0.831 -4.848 -0.230) 4.924 14.334 ( -0.946 -5.755 1.092) 5.934 17.603 ( -0.451 -2.333 -0.012) 2.376 17.680 ( -2.304 -3.924 -0.128) 4.553 17.907 ( 3.812 4.195 0.627) 5.703 18.069 ( 0.645 3.015 -0.163) 3.088 19.647 ( -0.294 -1.765 -0.767) 1.947 19.683 ( 0.968 -4.903 0.559) 5.029 19.705 ( -0.566 -0.551 -0.301) 0.845 19.816 ( -1.420 -1.726 0.759) 2.360 19.888 ( 2.546 -3.755 -0.121) 4.538 19.969 ( 0.682 -3.960 -0.041) 4.018 19.983 ( -0.131 0.340 -0.384) 0.529 20.017 ( -0.192 -3.009 -0.350) 3.036 20.220 ( 0.656 0.483 -0.695) 1.071 20.355 ( -1.612 -2.719 2.837) 4.247 21.048 ( -0.165 -1.996 -1.626) 2.579 21.120 ( -1.612 -1.583 1.371) 2.643 21.386 ( 1.935 -0.133 0.854) 2.119 21.452 ( 1.083 -1.265 -0.613) 1.774 27.450 ( 0.658 0.530 0.119) 0.853 27.475 ( 0.415 -0.059 -0.379) 0.565 27.547 ( 0.065 0.345 -0.322) 0.476 27.560 ( 0.110 1.236 0.310) 1.279 28.495 ( 0.110 1.198 -0.250) 1.229 28.515 ( -0.323 1.287 0.293) 1.359 34.783 ( 6.451 9.635 0.443) 11.604 34.819 ( 6.009 11.292 -0.152) 12.792 35.558 ( -10.278 14.342 -5.660) 18.530 35.762 ( -15.576 13.060 8.618) 22.078 38.064 ( -3.778 19.026 0.384) 19.401 38.217 ( -10.784 3.953 -4.493) 12.333 38.259 ( -4.748 19.229 5.108) 20.454 38.784 ( -18.455 -3.719 -4.974) 19.472 39.820 ( 1.216 5.035 7.068) 8.763 39.957 ( -0.981 5.278 -7.514) 9.234 41.634 ( 20.390 -17.531 -2.070) 26.970 42.071 ( 10.501 -23.043 -1.788) 25.386 ======================= Grid point 174 (78/90) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 9.622 14.669 1.086) 17.577 1.430 ( 0.600 9.982 3.144) 10.483 1.646 ( 8.715 -0.834 7.130) 11.291 1.709 ( -1.970 -0.240 -8.487) 8.716 1.790 ( 5.106 0.473 -2.281) 5.613 1.878 ( -4.567 1.048 -3.854) 6.067 1.923 ( 6.141 6.617 -4.224) 9.967 2.033 ( -2.437 7.966 1.200) 8.416 2.196 ( -0.945 2.697 1.686) 3.318 2.379 ( -11.579 6.460 -2.005) 13.410 2.661 ( 8.056 14.499 -0.340) 16.590 2.750 ( 6.066 2.845 3.751) 7.679 2.840 ( -4.855 12.349 -1.185) 13.322 2.907 ( -4.350 -2.962 -4.464) 6.901 3.036 ( 6.282 -2.937 -1.432) 7.081 3.149 ( 1.937 5.037 9.556) 10.975 3.230 ( -4.506 -1.694 3.627) 6.028 3.287 ( -1.701 7.596 -2.538) 8.187 3.464 ( 0.450 3.999 -2.515) 4.745 3.516 ( -1.232 -2.214 0.016) 2.534 3.626 ( -4.430 0.141 0.398) 4.450 3.645 ( -5.442 -4.388 -1.231) 7.098 3.923 ( 4.018 5.466 3.332) 7.558 3.947 ( 0.449 3.212 1.561) 3.599 4.104 ( 3.641 1.200 1.665) 4.180 4.196 ( -5.001 -4.398 -3.170) 7.376 4.427 ( 2.468 2.130 0.363) 3.281 4.477 ( -1.929 -0.376 -2.677) 3.321 4.793 ( 5.844 3.898 -3.688) 7.934 4.860 ( 1.156 7.302 4.361) 8.583 4.958 ( 1.233 0.373 -1.933) 2.323 5.007 ( -2.457 -4.631 1.919) 5.583 5.231 ( 1.892 -4.322 -0.231) 4.724 5.267 ( -1.898 -2.689 1.831) 3.766 5.661 ( 3.031 -1.077 -2.259) 3.931 5.711 ( -0.595 4.032 2.172) 4.618 5.918 ( 1.995 0.246 4.443) 4.877 6.012 ( -4.964 -2.085 -5.503) 7.698 6.226 ( 4.122 -1.406 -1.045) 4.479 6.340 ( -6.417 -2.056 1.056) 6.821 6.448 ( 1.125 3.126 3.171) 4.593 6.518 ( -4.273 -0.783 -2.503) 5.014 6.971 ( 6.904 -1.461 0.554) 7.079 7.099 ( -4.371 -3.242 -0.465) 5.462 8.094 ( 4.868 1.879 -2.900) 5.970 8.223 ( -7.376 -0.064 0.180) 7.379 8.791 ( 8.615 10.749 2.938) 14.085 8.949 ( -6.023 7.202 -1.312) 9.480 10.040 ( -0.061 0.070 1.779) 1.781 10.045 ( -0.298 0.457 -2.361) 2.423 10.258 ( 1.142 0.006 0.708) 1.344 10.286 ( -1.186 0.412 -0.058) 1.257 11.475 ( 3.126 3.388 5.429) 7.122 11.551 ( -3.169 2.282 -5.725) 6.929 11.988 ( -0.114 6.004 0.841) 6.064 12.032 ( -4.258 6.261 -0.889) 7.624 12.511 ( 2.341 3.828 -4.002) 6.013 12.551 ( -1.774 4.373 3.924) 6.137 13.133 ( 7.644 -4.873 -1.075) 9.129 13.276 ( -5.968 -3.568 0.390) 6.964 13.415 ( 5.385 -2.655 -2.915) 6.674 13.518 ( -4.590 -3.745 3.675) 6.971 14.014 ( 2.597 -7.674 -1.409) 8.223 14.068 ( -2.710 -7.382 0.814) 7.906 14.228 ( 3.806 -7.421 -0.368) 8.348 14.297 ( -2.739 -7.034 0.920) 7.604 17.606 ( 0.789 -3.060 0.027) 3.160 17.634 ( -1.879 -3.638 -0.043) 4.095 17.990 ( 3.781 4.481 0.361) 5.875 18.052 ( -2.082 4.168 -0.197) 4.663 19.652 ( 0.754 -1.744 -0.020) 1.901 19.674 ( -1.230 -2.188 -0.478) 2.555 19.731 ( 2.400 -3.030 0.843) 3.956 19.781 ( -2.154 -2.931 -0.110) 3.639 19.929 ( 1.540 -3.102 -0.002) 3.463 19.956 ( -1.118 -2.986 -0.199) 3.195 19.999 ( 0.805 -2.152 0.079) 2.299 20.011 ( -0.403 -2.931 -0.308) 2.974 20.253 ( 2.532 -0.437 -2.571) 3.635 20.308 ( -2.923 -1.668 3.339) 4.741 21.058 ( 1.144 -2.118 -1.503) 2.838 21.086 ( -1.712 -1.885 1.344) 2.879 21.425 ( 1.647 -0.331 0.855) 1.885 21.452 ( -0.788 -0.743 -0.859) 1.382 27.464 ( 0.611 0.485 0.407) 0.880 27.475 ( -0.308 0.312 -0.511) 0.673 27.552 ( 0.408 0.553 -0.324) 0.760 27.559 ( -0.257 0.965 0.309) 1.045 28.500 ( 0.349 1.151 -0.282) 1.236 28.508 ( -0.411 1.244 0.301) 1.344 34.918 ( 5.197 10.819 1.451) 12.090 34.933 ( 4.018 12.203 -1.309) 12.914 35.393 ( -3.626 12.503 -2.623) 13.280 35.472 ( -11.125 12.692 3.006) 17.143 38.016 ( -0.243 16.823 -2.096) 16.955 38.051 ( -4.000 14.728 1.385) 15.325 38.288 ( 4.020 5.378 7.840) 10.322 38.459 ( -11.784 -0.228 -7.814) 14.141 39.869 ( 2.291 5.459 8.436) 10.306 39.922 ( -1.657 5.529 -8.597) 10.355 41.974 ( 12.507 -19.013 -1.420) 22.802 42.137 ( -3.021 -20.611 0.279) 20.833 ======================= Grid point 178 (79/90) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.136 16.683 -6.522) 17.913 1.393 ( -0.136 16.683 6.522) 17.913 1.565 ( 3.232 0.322 -1.729) 3.679 1.565 ( -3.232 0.322 1.729) 3.679 1.821 ( -6.878 3.863 -9.453) 12.312 1.821 ( 6.878 3.863 9.453) 12.312 2.234 ( -8.715 7.633 -17.648) 21.111 2.234 ( 8.715 7.633 17.648) 21.111 2.605 ( -8.552 6.696 -3.859) 11.527 2.605 ( 8.552 6.696 3.859) 11.527 2.790 ( -1.837 5.282 -5.090) 7.562 2.790 ( 1.837 5.282 5.090) 7.562 2.956 ( -3.349 9.662 -8.161) 13.084 2.956 ( 3.349 9.662 8.161) 13.084 3.166 ( -2.672 4.745 -4.805) 7.263 3.166 ( 2.672 4.745 4.805) 7.263 3.424 ( -3.968 2.858 -4.305) 6.515 3.424 ( 3.968 2.858 4.305) 6.515 3.660 ( -0.911 6.893 -2.452) 7.372 3.660 ( 0.911 6.893 2.452) 7.372 3.783 ( 3.519 3.417 -2.744) 5.620 3.783 ( -3.519 3.417 2.744) 5.620 4.050 ( 4.220 4.816 -4.051) 7.577 4.050 ( -4.220 4.816 4.051) 7.577 4.280 ( -1.087 0.524 -1.256) 1.741 4.280 ( 1.087 0.524 1.256) 1.741 4.522 ( -0.656 5.768 -4.172) 7.149 4.522 ( 0.656 5.768 4.172) 7.149 4.631 ( 5.036 -2.647 -3.051) 6.456 4.631 ( -5.036 -2.647 3.051) 6.456 4.720 ( -0.105 -9.806 -2.594) 10.144 4.720 ( 0.105 -9.806 2.594) 10.144 5.283 ( -2.387 -1.831 -3.521) 4.632 5.283 ( 2.387 -1.831 3.521) 4.632 5.593 ( 1.304 2.005 -5.345) 5.856 5.593 ( -1.304 2.005 5.345) 5.856 5.915 ( -0.830 3.210 -4.435) 5.537 5.915 ( 0.830 3.210 4.435) 5.537 6.282 ( -3.593 -3.026 -4.863) 6.761 6.282 ( 3.593 -3.026 4.863) 6.761 6.661 ( 2.831 -3.408 -3.607) 5.713 6.661 ( -2.831 -3.408 3.607) 5.713 6.977 ( 5.122 -2.334 -5.786) 8.072 6.977 ( -5.122 -2.334 5.786) 8.072 8.243 ( -6.001 8.020 -7.528) 12.530 8.243 ( 6.001 8.020 7.528) 12.530 8.895 ( -6.290 -1.315 -3.958) 7.547 8.895 ( 6.290 -1.315 3.958) 7.547 10.051 ( 0.685 -0.436 -2.839) 2.953 10.051 ( -0.685 -0.436 2.839) 2.953 10.247 ( 0.342 -1.924 -0.871) 2.139 10.247 ( -0.342 -1.924 0.871) 2.139 11.562 ( 0.327 0.828 -2.600) 2.748 11.562 ( -0.327 0.828 2.600) 2.748 12.160 ( -2.049 0.277 -1.357) 2.473 12.160 ( 2.049 0.277 1.357) 2.473 12.608 ( 3.675 5.195 -3.451) 7.239 12.608 ( -3.675 5.195 3.451) 7.239 13.049 ( -5.112 -7.345 -2.403) 9.265 13.049 ( 5.112 -7.345 2.403) 9.265 13.419 ( -2.467 2.864 -1.651) 4.125 13.419 ( 2.467 2.864 1.651) 4.125 13.866 ( 0.070 -5.588 -1.757) 5.858 13.866 ( -0.070 -5.588 1.757) 5.858 14.216 ( 0.048 -4.677 -1.187) 4.826 14.216 ( -0.048 -4.677 1.187) 4.826 17.641 ( -0.098 -1.346 -1.903) 2.333 17.641 ( 0.098 -1.346 1.903) 2.333 17.944 ( -1.595 0.654 -1.679) 2.407 17.944 ( 1.595 0.654 1.679) 2.407 19.611 ( 0.120 -3.640 -0.148) 3.645 19.611 ( -0.120 -3.640 0.148) 3.645 19.688 ( -0.878 -2.215 -2.842) 3.708 19.688 ( 0.878 -2.215 2.842) 3.708 19.877 ( -0.575 -2.178 -0.518) 2.311 19.877 ( 0.575 -2.178 0.518) 2.311 20.019 ( -0.263 1.507 -1.075) 1.870 20.019 ( 0.263 1.507 1.075) 1.870 20.265 ( -0.224 -1.216 -0.932) 1.548 20.265 ( 0.224 -1.216 0.932) 1.548 21.090 ( -2.243 -1.496 -1.295) 2.991 21.090 ( 2.243 -1.496 1.295) 2.991 21.355 ( 1.176 0.080 -1.200) 1.682 21.355 ( -1.176 0.080 1.200) 1.682 27.445 ( -0.405 0.090 -0.253) 0.486 27.445 ( 0.405 0.090 0.253) 0.486 27.563 ( -0.118 0.359 -0.682) 0.780 27.563 ( 0.118 0.359 0.682) 0.780 28.535 ( -0.269 1.079 -0.440) 1.196 28.535 ( 0.269 1.079 0.440) 1.196 34.858 ( -1.095 9.832 -0.297) 9.897 34.858 ( 1.095 9.832 0.297) 9.897 36.221 ( -3.624 9.950 -10.447) 14.875 36.221 ( 3.624 9.950 10.447) 14.875 38.467 ( -1.775 7.471 -5.607) 9.509 38.467 ( 1.775 7.471 5.607) 9.509 39.247 ( 3.908 -1.024 -4.496) 6.044 39.247 ( -3.908 -1.024 4.496) 6.044 40.029 ( 0.250 3.837 -5.077) 6.369 40.029 ( -0.250 3.837 5.077) 6.369 40.832 ( -8.513 -11.703 -5.617) 15.523 40.832 ( 8.513 -11.703 5.617) 15.523 ======================= Grid point 180 (80/90) ======================= q-point: ( 0.14 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -2.432 12.829 0.404) 13.063 1.447 ( 4.191 12.604 2.863) 13.588 1.511 ( -1.920 6.982 -2.755) 7.747 1.652 ( -2.307 7.968 -6.623) 10.615 1.702 ( 5.433 -1.484 -2.198) 6.046 1.899 ( 0.488 2.178 5.062) 5.532 2.095 ( -3.532 8.307 -11.598) 14.697 2.390 ( -10.616 7.632 -4.329) 13.773 2.482 ( 10.680 6.034 10.990) 16.470 2.639 ( -7.331 3.860 6.112) 10.295 2.711 ( -3.108 5.132 -5.020) 7.823 2.788 ( 2.761 2.369 -4.445) 5.744 2.882 ( -0.682 7.973 2.815) 8.483 3.036 ( -2.897 6.213 2.555) 7.316 3.123 ( 0.027 7.206 -3.559) 8.037 3.224 ( 1.882 6.684 8.087) 10.659 3.355 ( -2.662 -2.864 -2.143) 4.459 3.493 ( 0.405 1.058 1.804) 2.130 3.576 ( -5.783 8.688 -1.831) 10.596 3.629 ( -3.013 4.924 3.750) 6.884 3.756 ( 1.487 4.541 -0.252) 4.785 3.854 ( -2.655 4.847 -3.350) 6.462 3.943 ( 2.237 1.151 1.856) 3.127 4.180 ( 2.479 10.557 -1.712) 10.979 4.229 ( -2.247 1.819 3.444) 4.497 4.277 ( -1.868 -2.244 1.498) 3.281 4.388 ( -7.611 1.980 -1.297) 7.970 4.524 ( -0.479 6.679 -4.857) 8.273 4.596 ( 0.980 -7.234 0.270) 7.305 4.705 ( 1.980 -5.803 0.675) 6.168 4.773 ( 5.720 -1.352 -1.601) 6.092 4.816 ( 6.719 -7.098 4.652) 10.825 5.211 ( -3.513 0.600 -3.873) 5.263 5.294 ( -1.420 -5.725 1.345) 6.050 5.563 ( 0.252 0.595 -1.130) 1.302 5.703 ( 6.011 6.168 -0.842) 8.653 5.902 ( 1.904 -2.314 2.043) 3.627 6.030 ( 5.936 2.530 3.746) 7.460 6.154 ( -6.989 -2.235 -3.158) 7.989 6.357 ( 3.026 0.787 2.254) 3.854 6.570 ( -4.109 -4.347 -2.095) 6.338 6.709 ( 0.459 1.610 -5.438) 5.690 6.873 ( -4.516 -2.129 8.427) 9.795 7.056 ( 2.817 -1.263 -2.417) 3.921 8.132 ( -2.703 5.729 -3.319) 7.151 8.405 ( 4.736 5.428 3.333) 7.938 8.753 ( -3.486 1.557 -1.647) 4.158 9.034 ( 5.379 1.067 0.760) 5.536 10.038 ( -0.480 -0.590 1.228) 1.445 10.066 ( 0.612 -0.222 -2.790) 2.865 10.234 ( -0.706 -1.589 1.356) 2.205 10.261 ( 0.875 -2.148 0.140) 2.324 11.502 ( -1.981 2.301 1.712) 3.486 11.617 ( 1.833 0.591 -3.091) 3.642 12.122 ( -1.571 0.932 -1.562) 2.403 12.202 ( 1.219 -1.344 1.915) 2.638 12.547 ( -2.001 4.715 0.845) 5.191 12.669 ( 1.918 5.919 -1.500) 6.401 12.929 ( -3.489 -2.868 -0.321) 4.527 13.157 ( 2.855 -10.305 1.083) 10.748 13.377 ( -0.518 1.584 -2.468) 2.978 13.478 ( 2.083 1.590 2.912) 3.917 13.853 ( 0.033 -4.588 -0.985) 4.692 13.899 ( 2.047 -6.181 -0.197) 6.514 14.150 ( -4.123 -4.575 0.952) 6.232 14.232 ( -0.470 -5.657 -0.124) 5.678 17.595 ( -2.169 -1.289 0.360) 2.549 17.651 ( -1.218 -2.688 -0.490) 2.991 17.917 ( 1.518 2.717 0.489) 3.150 18.037 ( 4.512 0.053 -0.119) 4.514 19.594 ( -0.942 -3.715 0.294) 3.843 19.609 ( -0.422 -3.078 -0.531) 3.151 19.674 ( 0.020 -1.913 -1.145) 2.230 19.727 ( 1.772 -3.844 1.561) 4.511 19.849 ( -1.230 -1.411 -0.053) 1.872 19.898 ( 0.793 -2.372 -0.100) 2.503 20.005 ( -0.791 0.889 -0.807) 1.438 20.017 ( -0.560 1.539 0.474) 1.705 20.232 ( -0.923 -0.083 0.176) 0.944 20.303 ( 1.258 -2.084 0.531) 2.491 21.039 ( -2.085 -1.495 -1.758) 3.110 21.118 ( 0.040 -0.990 1.438) 1.747 21.350 ( 0.694 -0.143 1.111) 1.317 21.391 ( 1.970 -0.761 -0.943) 2.313 27.444 ( 0.293 0.032 -0.115) 0.316 27.460 ( 0.886 0.124 0.105) 0.901 27.554 ( -0.295 0.233 -0.097) 0.389 27.573 ( 0.456 0.491 0.056) 0.673 28.525 ( -0.389 1.219 -0.132) 1.286 28.541 ( 0.117 1.006 0.177) 1.029 34.876 ( 3.041 9.596 -0.057) 10.067 34.922 ( 4.726 9.995 0.057) 11.056 36.061 ( -9.907 11.718 -7.397) 17.035 36.210 ( -6.294 8.761 9.569) 14.420 38.390 ( -4.879 4.660 -3.825) 7.756 38.474 ( -1.824 10.139 5.349) 11.608 38.930 ( -20.746 8.055 0.748) 22.268 39.088 ( -16.153 -2.284 -3.326) 16.649 39.922 ( -1.569 5.740 3.158) 6.736 40.104 ( -0.124 6.395 -4.998) 8.117 40.891 ( 16.262 -14.178 -0.593) 21.582 41.265 ( 22.113 -18.482 0.011) 28.820 ======================= Grid point 181 (81/90) ======================= q-point: ( 0.29 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 3.652 3.390 2.696) 5.666 1.473 ( 2.801 15.098 0.800) 15.377 1.545 ( 3.638 6.331 2.950) 7.875 1.708 ( 3.597 3.212 -0.063) 4.823 1.777 ( 2.866 -2.648 -4.306) 5.811 1.906 ( -0.710 1.575 -0.124) 1.733 2.052 ( 1.133 9.517 -8.592) 12.871 2.203 ( -6.322 6.784 0.984) 9.325 2.459 ( -9.413 4.853 2.744) 10.940 2.551 ( -0.827 4.464 -5.524) 7.150 2.695 ( -3.501 4.797 -5.054) 7.798 2.833 ( 0.222 -3.020 -5.190) 6.009 2.946 ( 5.997 7.277 6.491) 11.448 2.990 ( 1.705 3.170 2.871) 4.604 3.063 ( -4.849 4.877 -2.075) 7.184 3.236 ( -7.879 -7.576 0.089) 10.931 3.295 ( 3.689 8.055 9.364) 12.891 3.439 ( -5.865 1.780 -2.623) 6.667 3.490 ( -0.361 5.013 1.566) 5.264 3.552 ( -4.394 2.981 4.693) 7.087 3.744 ( -5.300 1.701 -0.259) 5.573 3.805 ( 0.618 7.313 -2.565) 7.775 4.010 ( 1.223 1.012 0.327) 1.621 4.132 ( -3.453 9.346 0.433) 9.973 4.188 ( -5.669 -3.707 -0.208) 6.776 4.203 ( -0.995 12.619 4.196) 13.336 4.345 ( 1.730 -5.874 1.949) 6.426 4.508 ( -0.927 2.017 -8.832) 9.107 4.656 ( 4.517 -6.286 -1.804) 7.948 4.755 ( 2.235 -6.812 5.812) 9.229 4.880 ( 4.867 2.214 -3.918) 6.629 4.980 ( 7.934 -4.208 4.789) 10.178 5.141 ( -2.798 0.880 -1.819) 3.451 5.259 ( -1.504 -4.572 0.225) 4.818 5.586 ( 2.273 -0.169 -3.392) 4.087 5.798 ( 2.433 5.094 3.274) 6.526 5.950 ( 0.129 -2.272 -0.974) 2.475 5.983 ( -5.059 -7.407 -3.388) 9.588 6.157 ( 3.468 4.592 4.976) 7.608 6.380 ( -2.193 1.985 -0.098) 2.960 6.541 ( 2.482 -0.698 -4.032) 4.786 6.683 ( -1.848 11.828 1.360) 12.048 6.847 ( 1.707 -2.062 3.759) 4.614 7.085 ( 0.102 -0.675 -1.256) 1.430 8.106 ( 0.002 3.344 -1.763) 3.780 8.354 ( -7.099 -1.817 -1.862) 7.561 8.831 ( 8.376 9.708 2.412) 13.047 9.112 ( 1.967 4.553 -0.130) 4.962 10.034 ( -0.108 -0.695 0.651) 0.958 10.064 ( -0.415 0.011 -2.789) 2.819 10.228 ( 0.112 -1.127 1.730) 2.068 10.278 ( 0.443 -2.165 0.334) 2.235 11.496 ( 0.952 3.259 4.052) 5.287 11.628 ( -0.195 1.415 -5.123) 5.318 12.087 ( -1.570 1.635 -1.042) 2.495 12.185 ( -3.199 -0.663 2.326) 4.010 12.545 ( 1.943 4.373 -4.153) 6.336 12.676 ( -0.951 5.073 2.798) 5.871 12.927 ( 2.860 -2.310 -0.325) 3.691 13.179 ( -0.431 -10.672 0.506) 10.693 13.376 ( 0.672 1.170 -5.285) 5.454 13.503 ( -0.358 -0.638 6.590) 6.631 13.863 ( 1.059 -3.854 -2.244) 4.584 13.947 ( 2.174 -6.228 0.111) 6.597 14.068 ( -3.174 -5.699 0.769) 6.568 14.203 ( -2.273 -7.034 0.296) 7.399 17.560 ( -1.123 -1.841 0.258) 2.172 17.608 ( -2.299 -3.156 -0.269) 3.914 17.985 ( 4.154 3.491 0.386) 5.440 18.107 ( 2.040 0.884 -0.110) 2.226 19.584 ( -0.046 -4.029 0.667) 4.084 19.600 ( -0.278 -3.090 -0.801) 3.204 19.678 ( 0.355 -1.694 -0.543) 1.814 19.745 ( -0.444 -4.495 1.059) 4.640 19.839 ( 0.534 -1.398 -0.194) 1.509 19.906 ( -0.118 -2.495 -0.151) 2.502 19.991 ( -0.418 0.226 -0.368) 0.601 20.004 ( -0.573 1.149 0.080) 1.286 20.228 ( 0.538 0.272 -1.154) 1.302 20.309 ( -0.764 -1.833 2.035) 2.843 21.012 ( -0.203 -1.453 -2.535) 2.929 21.100 ( -1.783 -0.621 2.056) 2.791 21.378 ( 1.615 -0.650 0.858) 1.941 21.422 ( 1.011 -1.507 -0.813) 1.988 27.455 ( 0.660 0.033 0.169) 0.682 27.476 ( 0.551 0.150 -0.204) 0.607 27.552 ( 0.201 0.272 -0.121) 0.359 27.579 ( 0.068 0.513 0.080) 0.524 28.521 ( 0.012 1.240 -0.076) 1.242 28.540 ( -0.256 1.072 0.123) 1.109 34.979 ( 6.691 9.407 0.263) 11.547 35.042 ( 6.709 10.273 -0.366) 12.275 35.829 ( -11.142 12.296 -3.744) 17.010 36.000 ( -13.786 10.072 5.443) 17.920 38.273 ( -5.214 3.132 -0.569) 6.109 38.417 ( -3.900 14.565 4.709) 15.796 38.588 ( -11.012 9.891 -1.827) 14.914 38.729 ( -15.843 0.873 -3.148) 16.176 39.939 ( 2.099 6.768 5.508) 8.975 40.089 ( -0.489 7.776 -6.758) 10.314 41.272 ( 17.963 -17.663 -0.572) 25.199 41.614 ( 10.806 -21.858 -0.124) 24.384 ======================= Grid point 182 (82/90) ======================= q-point: ( 0.43 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.488 -0.144 3.203) 7.238 1.575 ( -1.113 2.689 1.042) 3.091 1.637 ( 9.336 7.329 5.119) 12.926 1.748 ( 1.224 -0.484 0.504) 1.409 1.802 ( -1.470 1.293 -4.154) 4.592 1.837 ( -4.700 -0.508 -3.116) 5.662 2.146 ( 7.127 11.992 -4.381) 14.622 2.160 ( 2.849 1.605 4.121) 5.261 2.302 ( -4.908 9.213 2.379) 10.707 2.438 ( -11.481 5.408 -7.056) 14.521 2.649 ( 3.592 -3.634 -3.245) 6.053 2.779 ( -6.013 -7.668 -3.872) 10.486 2.969 ( -0.530 -1.579 -1.400) 2.176 2.991 ( -0.289 -2.776 6.617) 7.182 3.040 ( -0.927 5.766 1.598) 6.054 3.119 ( -2.941 12.051 -3.620) 12.922 3.377 ( 0.776 0.811 1.766) 2.093 3.410 ( -0.189 2.822 -1.620) 3.260 3.460 ( 4.412 3.195 7.197) 9.026 3.569 ( 4.903 5.552 6.544) 9.884 3.620 ( -6.392 2.630 -3.670) 7.826 3.728 ( -7.143 7.299 -3.911) 10.936 4.027 ( 2.153 1.705 0.338) 2.767 4.089 ( -3.837 -2.066 0.648) 4.406 4.130 ( 1.984 8.126 0.127) 8.366 4.178 ( -2.155 9.013 1.386) 9.370 4.390 ( 2.219 -6.029 5.617) 8.534 4.454 ( -2.883 -3.501 -9.049) 10.122 4.745 ( 3.735 -6.817 -3.865) 8.681 4.785 ( -0.552 -7.129 6.530) 9.683 4.974 ( 4.921 1.891 -1.874) 5.595 5.064 ( -3.080 -4.679 -0.161) 5.604 5.146 ( 5.226 3.750 3.398) 7.275 5.227 ( -2.156 -0.784 -1.828) 2.933 5.649 ( 4.271 -0.240 -2.799) 5.112 5.757 ( -5.916 -0.256 2.200) 6.317 5.922 ( 1.880 -0.838 0.810) 2.212 5.964 ( -1.197 -3.654 -2.597) 4.639 6.220 ( 3.163 2.541 3.002) 5.048 6.307 ( -4.386 0.611 -1.623) 4.716 6.593 ( 2.801 7.520 -3.093) 8.601 6.647 ( -2.383 12.745 3.799) 13.511 6.944 ( 6.248 -0.094 0.318) 6.257 7.051 ( -3.488 -0.375 -0.335) 3.524 8.126 ( 2.354 1.247 -0.980) 2.838 8.210 ( -5.851 -1.129 -0.481) 5.978 9.002 ( 7.118 10.015 1.295) 12.355 9.106 ( -2.646 7.834 -0.442) 8.280 10.036 ( 0.286 -0.470 0.725) 0.910 10.048 ( -0.719 -0.084 -1.628) 1.781 10.245 ( 1.288 -1.197 1.094) 2.071 10.272 ( -0.955 -1.681 -0.220) 1.946 11.542 ( 2.583 3.130 5.989) 7.234 11.599 ( -1.929 2.310 -6.323) 7.003 12.070 ( 0.388 2.218 -0.416) 2.290 12.109 ( -3.379 1.582 0.949) 3.850 12.595 ( 3.062 4.296 -5.946) 7.949 12.646 ( -2.374 4.529 5.390) 7.430 13.019 ( 5.517 -6.041 -0.154) 8.183 13.129 ( -4.492 -9.729 0.194) 10.717 13.410 ( 3.348 1.275 -6.479) 7.403 13.475 ( -3.096 -0.359 7.129) 7.781 13.892 ( 2.043 -4.404 -1.703) 5.145 13.941 ( -2.462 -4.890 0.769) 5.528 14.073 ( 3.096 -7.926 0.003) 8.509 14.144 ( -3.366 -7.940 0.350) 8.631 17.551 ( 0.181 -2.425 0.168) 2.438 17.568 ( -1.456 -2.919 -0.152) 3.266 18.067 ( 3.447 3.152 0.216) 4.676 18.116 ( -1.106 2.169 -0.127) 2.438 19.589 ( 0.350 -4.094 0.883) 4.203 19.596 ( -0.135 -3.882 -0.885) 3.984 19.691 ( 1.061 -1.744 -0.104) 2.044 19.721 ( -1.646 -3.050 0.253) 3.475 19.863 ( 1.492 -2.565 -0.013) 2.968 19.892 ( -1.141 -2.739 -0.135) 2.970 19.989 ( 0.142 0.227 -0.211) 0.341 19.994 ( -0.388 0.537 0.112) 0.672 20.249 ( 1.599 -0.152 -2.333) 2.832 20.283 ( -1.850 -0.978 2.749) 3.455 21.023 ( 1.490 -1.241 -2.869) 3.463 21.060 ( -2.187 -0.843 2.617) 3.514 21.410 ( 1.288 -1.044 0.737) 1.814 21.428 ( -0.336 -1.443 -0.747) 1.659 27.469 ( 0.622 0.117 0.373) 0.735 27.479 ( -0.228 0.168 -0.395) 0.486 27.562 ( 0.677 0.386 -0.135) 0.791 27.575 ( -0.475 0.467 0.119) 0.677 28.524 ( 0.332 1.191 -0.047) 1.237 28.532 ( -0.411 1.149 0.063) 1.222 35.127 ( 6.443 9.603 0.985) 11.606 35.167 ( 3.761 10.398 -1.225) 11.124 35.646 ( -4.279 12.024 -1.094) 12.810 35.726 ( -11.115 11.741 1.723) 16.259 38.227 ( 1.359 4.556 2.016) 5.165 38.320 ( -6.108 10.384 0.059) 12.047 38.455 ( -1.953 5.991 0.674) 6.337 38.496 ( -5.857 8.999 -2.884) 11.117 40.001 ( 2.788 7.587 7.096) 10.756 40.058 ( -1.738 7.968 -7.510) 11.086 41.576 ( 11.028 -19.728 -0.506) 22.606 41.708 ( -1.358 -21.300 0.267) 21.345 ======================= Grid point 186 (83/90) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 1.215 0.091 -2.108) 2.435 1.558 ( -1.215 0.091 2.108) 2.435 1.691 ( -2.259 11.094 -3.962) 11.995 1.691 ( 2.259 11.094 3.962) 11.995 1.882 ( -3.750 2.167 -4.081) 5.951 1.882 ( 3.750 2.167 4.081) 5.951 2.332 ( -5.490 2.284 -7.415) 9.505 2.332 ( 5.490 2.284 7.415) 9.505 2.665 ( -4.407 1.140 -7.823) 9.051 2.665 ( 4.407 1.140 7.823) 9.051 2.940 ( -7.928 7.454 -5.217) 12.067 2.940 ( 7.928 7.454 5.217) 12.067 3.136 ( -6.082 8.306 -4.201) 11.119 3.136 ( 6.082 8.306 4.201) 11.119 3.241 ( -5.321 2.666 -7.389) 9.488 3.241 ( 5.321 2.666 7.389) 9.488 3.413 ( -8.454 -2.769 -4.678) 10.051 3.413 ( 8.454 -2.769 4.678) 10.051 3.767 ( -4.104 2.908 -2.537) 5.633 3.767 ( 4.104 2.908 2.537) 5.633 3.816 ( 1.861 0.965 -0.931) 2.294 3.816 ( -1.861 0.965 0.931) 2.294 4.101 ( -6.031 -0.017 -0.165) 6.033 4.101 ( 6.031 -0.017 0.165) 6.033 4.357 ( 0.915 2.687 -3.379) 4.413 4.357 ( -0.915 2.687 3.379) 4.413 4.464 ( -7.475 -5.034 -5.074) 10.342 4.464 ( 7.475 -5.034 5.074) 10.342 4.624 ( -0.382 0.948 -2.332) 2.546 4.624 ( 0.382 0.948 2.332) 2.546 4.667 ( 3.585 2.818 -5.781) 7.363 4.667 ( -3.585 2.818 5.781) 7.363 5.175 ( 0.484 -7.229 -2.251) 7.587 5.175 ( -0.484 -7.229 2.251) 7.587 5.637 ( -0.969 2.708 -4.584) 5.412 5.637 ( 0.969 2.708 4.584) 5.412 5.893 ( -3.997 -5.263 -2.797) 7.176 5.893 ( 3.997 -5.263 2.797) 7.176 6.365 ( 1.152 7.596 -5.688) 9.559 6.365 ( -1.152 7.596 5.688) 9.559 6.652 ( -4.855 2.966 -0.186) 5.692 6.652 ( 4.855 2.966 0.186) 5.692 6.927 ( 4.171 -2.763 -5.372) 7.341 6.927 ( -4.171 -2.763 5.372) 7.341 8.375 ( -6.802 4.883 -5.647) 10.100 8.375 ( 6.802 4.883 5.647) 10.100 8.863 ( -7.227 -1.712 -2.287) 7.771 8.863 ( 7.227 -1.712 2.287) 7.771 10.034 ( -0.124 -1.101 -3.038) 3.234 10.034 ( 0.124 -1.101 3.038) 3.234 10.214 ( 0.222 -1.128 -1.711) 2.061 10.214 ( -0.222 -1.128 1.711) 2.061 11.586 ( 2.005 1.185 -3.308) 4.046 11.586 ( -2.005 1.185 3.308) 4.046 12.166 ( -0.510 0.227 -0.837) 1.006 12.166 ( 0.510 0.227 0.837) 1.006 12.704 ( 3.835 4.409 -2.482) 6.349 12.704 ( -3.835 4.409 2.482) 6.349 12.911 ( -2.408 -6.054 -1.779) 6.753 12.911 ( 2.408 -6.054 1.779) 6.753 13.477 ( -2.917 2.796 0.339) 4.055 13.477 ( 2.917 2.796 -0.339) 4.055 13.765 ( 0.481 -4.267 -0.295) 4.305 13.765 ( -0.481 -4.267 0.295) 4.305 14.129 ( 0.017 -3.553 -1.061) 3.708 14.129 ( -0.017 -3.553 1.061) 3.708 17.618 ( 0.402 -0.869 -1.712) 1.962 17.618 ( -0.402 -0.869 1.712) 1.962 17.955 ( -0.242 0.426 -1.638) 1.710 17.955 ( 0.242 0.426 1.638) 1.710 19.554 ( -0.350 -2.040 0.078) 2.071 19.554 ( 0.350 -2.040 -0.078) 2.071 19.649 ( -0.468 -1.494 -2.056) 2.584 19.649 ( 0.468 -1.494 2.056) 2.584 19.841 ( -1.076 -1.231 -0.535) 1.720 19.841 ( 1.076 -1.231 0.535) 1.720 20.044 ( -0.263 0.787 -0.167) 0.846 20.044 ( 0.263 0.787 0.167) 0.846 20.247 ( -0.598 -0.578 -0.711) 1.094 20.247 ( 0.598 -0.578 0.711) 1.094 21.067 ( -2.425 -0.823 -0.660) 2.644 21.067 ( 2.425 -0.823 0.660) 2.644 21.354 ( 1.055 -0.102 -1.416) 1.769 21.354 ( -1.055 -0.102 1.416) 1.769 27.446 ( -0.453 0.040 -0.124) 0.471 27.446 ( 0.453 0.040 0.124) 0.471 27.567 ( -0.105 0.119 -0.562) 0.584 27.567 ( 0.105 0.119 0.562) 0.584 28.551 ( -0.079 0.576 -0.302) 0.655 28.551 ( 0.079 0.576 0.302) 0.655 35.022 ( -1.092 6.073 -0.448) 6.187 35.022 ( 1.092 6.073 0.448) 6.187 36.374 ( -1.947 5.265 -4.744) 7.349 36.374 ( 1.947 5.265 4.744) 7.349 38.541 ( -2.391 1.087 -5.653) 6.233 38.541 ( 2.391 1.087 5.653) 6.233 39.259 ( 0.726 1.447 -4.536) 4.816 39.259 ( -0.726 1.447 4.536) 4.816 40.135 ( -0.090 6.135 -4.862) 7.828 40.135 ( 0.090 6.135 4.862) 7.828 40.611 ( -6.074 -9.953 -4.361) 12.449 40.611 ( 6.074 -9.953 4.361) 12.449 ======================= Grid point 188 (84/90) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -3.894 2.994 3.517) 6.041 1.590 ( 2.096 1.215 0.090) 2.424 1.664 ( -0.644 5.978 -5.183) 7.938 1.750 ( -0.327 5.940 1.316) 6.093 1.790 ( 0.059 6.785 3.063) 7.445 1.955 ( 1.969 2.922 0.964) 3.653 2.265 ( -0.004 6.450 -6.231) 8.968 2.498 ( -9.714 6.036 -5.727) 12.790 2.544 ( 11.725 0.490 5.544) 12.979 2.703 ( -3.050 -0.120 5.625) 6.400 2.735 ( -9.522 3.480 -4.021) 10.906 2.913 ( -7.616 5.594 -5.294) 10.832 3.050 ( -0.463 4.550 0.207) 4.578 3.150 ( -5.169 4.885 1.139) 7.202 3.172 ( -6.299 -3.719 -2.553) 7.748 3.237 ( -0.882 -0.089 0.687) 1.121 3.339 ( -0.872 3.628 4.061) 5.515 3.521 ( 2.406 1.891 6.811) 7.467 3.643 ( -6.938 1.192 -1.297) 7.158 3.782 ( -2.423 5.356 0.129) 5.880 3.842 ( 3.638 3.459 0.364) 5.033 3.900 ( 2.268 -0.112 -3.718) 4.357 3.989 ( -1.775 3.799 0.312) 4.205 4.167 ( -1.325 -3.585 -0.060) 3.823 4.210 ( -4.973 -1.488 2.048) 5.580 4.322 ( -3.255 -8.705 -3.920) 10.086 4.413 ( -5.430 -1.490 -1.777) 5.904 4.545 ( 1.731 9.554 2.657) 10.067 4.610 ( -0.327 1.418 5.382) 5.575 4.656 ( 3.156 0.177 -3.653) 4.830 4.694 ( 6.546 -2.836 5.073) 8.754 4.791 ( 6.339 1.787 -3.913) 7.661 5.156 ( -0.857 -6.185 1.869) 6.518 5.196 ( 1.172 -1.721 -3.255) 3.864 5.604 ( -0.881 2.983 -2.802) 4.187 5.706 ( 4.329 -3.799 -3.328) 6.652 5.826 ( -1.736 -5.509 4.002) 7.027 5.948 ( -0.123 -4.699 1.314) 4.881 6.274 ( -2.359 7.299 5.129) 9.227 6.473 ( 1.705 -0.767 -5.312) 5.632 6.562 ( -0.061 11.672 -1.335) 11.748 6.752 ( 3.822 1.069 -0.209) 3.974 6.886 ( 0.383 3.869 5.170) 6.469 7.023 ( 4.727 -2.487 -2.432) 5.869 8.229 ( -5.243 3.718 -1.933) 6.712 8.446 ( -3.987 -0.591 1.299) 4.235 8.815 ( 5.813 4.207 0.684) 7.208 9.041 ( 8.272 -0.631 -0.408) 8.306 10.021 ( -0.331 -0.926 -1.525) 1.814 10.051 ( 0.748 -1.125 -0.190) 1.364 10.210 ( -0.389 -0.892 1.965) 2.192 10.218 ( 0.288 -1.680 -0.371) 1.744 11.548 ( -1.110 1.944 3.148) 3.862 11.633 ( 2.074 0.730 -4.233) 4.770 12.132 ( -1.504 0.287 -0.572) 1.634 12.183 ( -0.234 -0.705 1.339) 1.531 12.646 ( -1.436 5.129 0.286) 5.334 12.756 ( 0.166 2.334 -1.105) 2.588 12.874 ( 0.414 -1.880 -0.427) 1.972 12.961 ( 1.410 -8.429 1.009) 8.605 13.411 ( -2.271 1.567 0.271) 2.773 13.529 ( 1.259 3.296 0.058) 3.529 13.769 ( 0.978 -3.781 -0.207) 3.911 13.790 ( 1.830 -4.568 -0.206) 4.926 14.073 ( -3.984 -2.620 0.602) 4.806 14.124 ( -1.666 -4.712 -0.284) 5.006 17.576 ( -2.465 -0.533 0.716) 2.622 17.605 ( -1.987 -1.754 -0.787) 2.765 17.967 ( 2.835 2.179 0.453) 3.605 18.029 ( 4.382 -0.812 -0.182) 4.460 19.537 ( -0.983 -1.925 0.212) 2.172 19.557 ( -0.125 -1.929 -0.193) 1.943 19.642 ( 0.128 -1.159 -1.224) 1.690 19.664 ( 0.549 -2.308 1.482) 2.797 19.820 ( -0.774 -1.246 -0.540) 1.563 19.864 ( 0.878 -1.046 0.386) 1.419 20.026 ( -1.153 0.847 0.157) 1.439 20.040 ( -0.730 0.667 -0.249) 1.019 20.231 ( -0.319 -0.044 -0.623) 0.701 20.272 ( 0.995 -1.043 0.679) 1.593 21.016 ( -2.008 -0.758 -1.323) 2.521 21.102 ( 0.615 -0.575 0.999) 1.306 21.345 ( 0.198 -0.230 1.272) 1.307 21.378 ( 1.235 -0.481 -1.161) 1.761 27.445 ( 0.286 0.061 -0.002) 0.292 27.462 ( 0.919 0.043 0.041) 0.921 27.560 ( -0.243 0.368 -0.078) 0.448 27.576 ( 0.356 -0.178 0.051) 0.402 28.544 ( -0.293 0.705 0.073) 0.767 28.556 ( 0.126 0.497 -0.023) 0.514 35.039 ( 2.888 6.144 -0.265) 6.794 35.084 ( 4.657 5.832 0.210) 7.466 36.251 ( -8.808 7.037 -3.279) 11.741 36.337 ( -6.171 3.872 3.560) 8.108 38.453 ( -5.266 2.592 -2.866) 6.532 38.567 ( -0.651 -0.115 6.433) 6.467 39.051 ( -16.339 3.999 -1.752) 16.912 39.106 ( -12.590 2.937 -0.778) 12.952 40.045 ( -0.808 6.156 2.065) 6.543 40.246 ( 1.539 7.207 -5.793) 9.374 40.642 ( 13.352 -9.929 1.609) 16.716 40.936 ( 16.975 -13.995 0.627) 22.009 ======================= Grid point 189 (85/90) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -2.115 3.876 4.849) 6.558 1.589 ( -2.570 0.737 1.736) 3.188 1.671 ( 2.310 0.100 -3.143) 3.901 1.736 ( 0.107 -0.031 3.274) 3.276 1.823 ( 0.363 9.780 1.848) 9.959 1.984 ( 0.794 4.978 -3.310) 6.031 2.260 ( -5.029 7.980 -4.577) 10.484 2.305 ( -2.927 5.741 2.632) 6.960 2.542 ( -6.115 3.806 -0.333) 7.210 2.626 ( -3.323 1.657 -2.604) 4.535 2.762 ( 1.523 -1.955 -3.417) 4.221 2.777 ( -5.993 -3.193 -2.223) 7.145 2.892 ( -7.553 -4.648 -1.779) 9.046 3.047 ( -5.535 1.522 -0.903) 5.811 3.107 ( 2.090 3.200 -0.582) 3.866 3.230 ( 0.851 0.898 -0.337) 1.282 3.404 ( 4.743 3.345 7.636) 9.592 3.460 ( -6.174 5.724 -2.844) 8.886 3.570 ( 0.310 2.388 9.735) 10.028 3.656 ( -8.711 3.191 -0.606) 9.297 3.825 ( -3.231 5.094 0.118) 6.033 3.934 ( -0.320 4.581 -5.093) 6.858 4.000 ( 0.026 -2.467 1.585) 2.932 4.089 ( -3.185 -2.192 0.747) 3.938 4.168 ( -1.083 -6.195 1.883) 6.565 4.301 ( -3.166 -1.795 -0.070) 3.640 4.330 ( 1.995 -0.931 -4.147) 4.695 4.513 ( -3.456 3.633 0.858) 5.087 4.631 ( 0.570 3.160 -6.073) 6.870 4.692 ( 0.962 -1.225 5.760) 5.967 4.841 ( 5.187 -6.714 4.110) 9.427 4.883 ( 2.180 -1.713 -1.854) 3.336 5.162 ( 2.699 -1.514 0.494) 3.134 5.242 ( 3.492 5.084 -2.828) 6.785 5.600 ( 1.067 0.981 -0.626) 1.579 5.787 ( -0.714 -4.397 0.186) 4.458 5.808 ( 2.034 -8.376 0.364) 8.627 5.906 ( -2.366 -1.798 -1.016) 3.140 6.278 ( 1.102 5.423 6.889) 8.837 6.412 ( -3.374 -1.052 -6.037) 6.996 6.643 ( 4.694 9.483 -1.644) 10.708 6.819 ( 2.108 -0.046 3.593) 4.166 6.943 ( 4.400 11.850 0.037) 12.640 7.096 ( 2.177 0.953 -0.572) 2.445 8.157 ( -1.951 1.705 0.038) 2.591 8.302 ( -7.392 -2.776 -1.751) 8.088 9.007 ( 9.892 7.498 2.536) 12.669 9.182 ( 5.169 1.931 -1.352) 5.681 10.018 ( 0.237 -0.612 -1.349) 1.500 10.058 ( -0.087 -0.589 -1.043) 1.201 10.207 ( -0.031 -1.016 2.293) 2.508 10.226 ( 0.374 -2.397 -0.002) 2.426 11.552 ( 1.035 2.225 4.838) 5.425 11.653 ( 0.439 0.909 -5.980) 6.065 12.104 ( -1.076 0.387 -1.747) 2.088 12.158 ( -2.260 -1.498 3.312) 4.280 12.644 ( 1.013 5.254 -3.556) 6.424 12.735 ( -1.276 0.717 1.817) 2.334 12.893 ( 0.532 -2.298 0.254) 2.372 12.976 ( 0.065 -7.270 0.261) 7.275 13.398 ( 0.993 0.844 -1.119) 1.718 13.531 ( -1.010 2.942 1.879) 3.634 13.794 ( 1.389 -3.423 -0.290) 3.706 13.842 ( 3.113 -4.367 -0.328) 5.373 13.980 ( -4.698 -2.249 0.516) 5.234 14.070 ( -3.293 -5.804 -0.211) 6.677 17.533 ( -1.635 -0.854 0.583) 1.935 17.557 ( -2.223 -1.907 -0.580) 2.986 18.044 ( 4.019 2.503 0.307) 4.745 18.109 ( 2.982 -0.616 -0.107) 3.047 19.521 ( -0.438 -2.083 0.417) 2.169 19.549 ( -0.538 -1.824 -0.593) 1.992 19.649 ( 0.502 -1.072 -0.362) 1.238 19.672 ( 0.029 -2.641 1.061) 2.846 19.812 ( 0.123 -1.236 -0.549) 1.358 19.872 ( -0.257 -0.969 0.097) 1.007 20.005 ( -0.689 0.832 0.203) 1.100 20.021 ( -0.904 0.428 -0.270) 1.036 20.231 ( 0.487 0.087 -1.576) 1.652 20.281 ( -0.254 -0.948 1.861) 2.104 20.991 ( -0.073 -0.626 -2.410) 2.491 21.092 ( -1.650 -0.225 2.030) 2.626 21.364 ( 1.236 -0.631 0.826) 1.615 21.397 ( 0.676 -0.912 -0.873) 1.432 27.456 ( 0.753 0.151 0.225) 0.800 27.479 ( 0.625 0.104 -0.185) 0.660 27.559 ( 0.157 0.388 -0.099) 0.430 27.580 ( 0.032 -0.346 0.066) 0.354 28.541 ( -0.014 0.757 0.151) 0.772 28.556 ( -0.149 0.540 -0.101) 0.570 35.138 ( 6.518 5.968 -0.014) 8.837 35.206 ( 6.807 5.703 -0.154) 8.881 36.034 ( -11.114 7.779 -1.327) 13.630 36.148 ( -11.709 4.543 1.747) 12.680 38.340 ( -4.783 3.387 -0.212) 5.865 38.536 ( -3.547 -2.136 3.555) 5.457 38.708 ( -13.599 6.910 1.136) 15.296 38.855 ( -10.432 6.375 -3.642) 12.756 40.079 ( 3.056 6.623 4.443) 8.540 40.251 ( 0.009 7.612 -6.938) 10.299 40.969 ( 15.486 -11.540 0.696) 19.326 41.223 ( 9.824 -16.374 0.487) 19.102 ======================= Grid point 190 (86/90) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 3.221 -0.845 3.240) 4.646 1.534 ( -3.131 -3.408 0.638) 4.672 1.706 ( 1.314 -2.250 -1.773) 3.152 1.732 ( -1.172 -3.172 1.527) 3.710 1.852 ( 3.109 9.456 2.833) 10.350 1.943 ( -4.395 5.728 -4.530) 8.523 2.175 ( 0.576 1.624 3.517) 3.916 2.258 ( -4.665 -0.109 0.260) 4.673 2.499 ( 2.709 8.181 -1.216) 8.703 2.573 ( -1.238 -1.928 -2.541) 3.421 2.618 ( -4.922 -7.503 0.059) 8.974 2.650 ( -9.208 9.680 -6.080) 14.679 2.875 ( 4.300 -1.809 3.329) 5.731 2.964 ( -3.664 1.476 -1.969) 4.414 3.185 ( 3.627 0.737 -0.298) 3.713 3.268 ( -2.059 -5.904 -0.396) 6.265 3.339 ( 1.670 9.443 -2.980) 10.042 3.454 ( -7.079 4.539 -0.716) 8.440 3.583 ( 6.189 5.912 8.165) 11.830 3.656 ( 5.845 2.245 7.384) 9.682 3.741 ( -4.111 7.043 -2.214) 8.450 3.845 ( -6.934 3.844 -6.124) 10.018 4.004 ( 1.044 -3.012 1.533) 3.537 4.044 ( -2.056 -1.291 0.164) 2.433 4.175 ( 2.096 -8.651 4.353) 9.908 4.245 ( -3.036 -5.216 -2.849) 6.674 4.367 ( 1.718 6.233 -0.758) 6.510 4.424 ( -4.095 5.388 -3.232) 7.499 4.649 ( 2.043 -2.783 -4.515) 5.684 4.688 ( -1.816 -3.624 4.874) 6.339 4.906 ( 0.884 -5.565 2.805) 6.294 4.908 ( 1.186 -7.339 -0.782) 7.475 5.253 ( 4.312 3.586 1.098) 5.715 5.294 ( 0.834 6.002 -2.313) 6.486 5.639 ( 2.533 -0.739 1.189) 2.894 5.711 ( -4.280 -3.030 -0.548) 5.273 5.859 ( 1.835 -5.694 -3.158) 6.765 5.880 ( -0.770 -2.856 2.488) 3.865 6.311 ( 1.325 4.631 5.410) 7.244 6.350 ( -2.013 2.379 -5.681) 6.480 6.738 ( 4.592 5.230 0.645) 6.990 6.817 ( -2.496 2.916 0.478) 3.867 7.045 ( 4.591 9.513 -0.695) 10.586 7.106 ( -1.255 5.109 0.516) 5.286 8.141 ( 0.363 0.259 0.572) 0.725 8.182 ( -3.787 -1.434 -1.211) 4.227 9.177 ( 5.766 6.960 1.738) 9.204 9.238 ( 0.085 4.725 -1.343) 4.913 10.028 ( 0.777 -0.154 -0.462) 0.917 10.046 ( -0.861 -0.044 -0.623) 1.064 10.216 ( 0.587 -1.580 1.672) 2.374 10.228 ( -0.241 -2.361 -0.614) 2.451 11.593 ( 1.992 1.906 6.400) 6.969 11.637 ( -1.222 1.348 -6.854) 7.091 12.091 ( 0.276 0.292 -2.327) 2.361 12.113 ( -2.069 -0.672 3.086) 3.776 12.670 ( 1.966 2.682 -4.688) 5.748 12.708 ( -1.899 1.437 3.798) 4.483 12.913 ( 1.833 -4.799 -0.644) 5.178 12.957 ( -1.979 -5.293 0.946) 5.730 13.440 ( 2.976 1.347 -2.762) 4.277 13.497 ( -2.532 2.154 3.030) 4.498 13.828 ( 2.021 -2.384 0.026) 3.126 13.880 ( -2.321 -1.285 -0.029) 2.653 13.926 ( 2.385 -6.066 -0.097) 6.519 13.997 ( -3.662 -6.295 -0.035) 7.283 17.513 ( -0.313 -1.275 0.442) 1.385 17.521 ( -1.075 -1.668 -0.430) 2.030 18.115 ( 2.542 1.741 0.162) 3.085 18.141 ( 0.138 0.475 -0.100) 0.504 19.522 ( 0.378 -2.309 0.706) 2.444 19.535 ( -0.706 -2.120 -0.818) 2.380 19.659 ( 0.524 -1.218 -0.187) 1.339 19.669 ( -0.376 -1.925 0.573) 2.044 19.825 ( 1.184 -1.342 -0.107) 1.793 19.854 ( -1.356 -1.164 -0.177) 1.795 19.999 ( 0.060 0.611 -0.086) 0.620 20.006 ( -0.524 0.412 0.081) 0.671 20.246 ( 1.114 -0.121 -2.390) 2.640 20.268 ( -1.175 -0.526 2.593) 2.895 21.007 ( 1.788 -0.436 -3.032) 3.547 21.050 ( -2.457 -0.229 2.836) 3.760 21.389 ( 0.981 -0.891 0.618) 1.462 21.402 ( -0.173 -1.036 -0.666) 1.244 27.473 ( 0.714 0.268 0.391) 0.857 27.483 ( -0.187 0.255 -0.378) 0.493 27.566 ( 0.533 0.078 -0.103) 0.549 27.576 ( -0.391 -0.251 0.091) 0.474 28.544 ( 0.259 0.717 0.203) 0.789 28.551 ( -0.315 0.636 -0.185) 0.733 35.284 ( 6.560 5.741 0.555) 8.735 35.330 ( 3.438 5.616 -0.827) 6.636 35.847 ( -4.690 7.576 0.495) 8.924 35.911 ( -9.584 6.333 -0.126) 11.488 38.291 ( 0.644 2.339 1.841) 3.045 38.383 ( -7.827 -0.409 -3.196) 8.464 38.607 ( 0.622 7.183 8.660) 11.268 38.683 ( -5.605 6.980 -7.027) 11.381 40.158 ( 3.508 7.387 6.595) 10.506 40.224 ( -1.893 7.797 -7.429) 10.935 41.228 ( 9.043 -13.850 0.170) 16.542 41.325 ( -0.048 -15.835 0.210) 15.836 ======================= Grid point 194 (87/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.961 0.000 -2.339) 2.529 1.558 ( -0.961 0.000 2.339) 2.529 1.811 ( -2.720 0.000 -4.035) 4.866 1.811 ( 2.720 0.000 4.035) 4.866 1.903 ( 4.191 0.000 -2.723) 4.998 1.903 ( -4.191 0.000 2.723) 4.998 2.350 ( -5.089 0.000 -2.270) 5.572 2.350 ( 5.089 0.000 2.270) 5.573 2.675 ( -2.758 0.000 -7.413) 7.910 2.675 ( 2.758 0.000 7.413) 7.910 3.026 ( -3.547 0.000 -5.829) 6.824 3.026 ( 3.547 0.000 5.829) 6.824 3.220 ( -1.642 0.000 -1.379) 2.144 3.220 ( 1.642 -0.000 1.379) 2.144 3.302 ( -5.306 0.000 1.471) 5.506 3.302 ( 5.306 0.000 -1.471) 5.506 3.352 ( -2.249 0.000 -2.542) 3.394 3.352 ( 2.248 -0.000 2.542) 3.394 3.790 ( -6.270 0.000 -3.849) 7.358 3.790 ( 6.270 0.000 3.849) 7.358 3.830 ( -0.633 0.000 -0.072) 0.637 3.830 ( 0.633 0.000 0.072) 0.637 4.086 ( -1.435 0.000 -2.694) 3.052 4.086 ( 1.435 0.000 2.694) 3.052 4.335 ( 6.388 -0.000 -3.046) 7.077 4.335 ( -6.388 -0.000 3.046) 7.077 4.467 ( -10.759 0.000 -4.164) 11.537 4.467 ( 10.759 0.000 4.164) 11.537 4.616 ( -1.267 0.000 -0.321) 1.307 4.616 ( 1.267 0.000 0.321) 1.307 4.730 ( 2.721 0.000 -2.707) 3.838 4.730 ( -2.721 0.000 2.707) 3.838 5.080 ( 0.993 0.000 -1.641) 1.918 5.080 ( -0.993 0.000 1.641) 1.918 5.681 ( -3.180 0.000 -6.523) 7.257 5.681 ( 3.180 0.000 6.523) 7.257 5.814 ( -6.280 0.000 -4.884) 7.956 5.814 ( 6.280 -0.000 4.884) 7.956 6.440 ( 3.603 0.000 -4.586) 5.832 6.440 ( -3.603 0.000 4.586) 5.832 6.724 ( -0.736 0.000 -3.406) 3.484 6.724 ( 0.736 0.000 3.406) 3.484 6.881 ( -1.769 0.000 -2.656) 3.192 6.881 ( 1.769 -0.000 2.656) 3.192 8.426 ( -6.821 0.000 -4.826) 8.355 8.426 ( 6.821 0.000 4.826) 8.355 8.842 ( -6.706 0.000 -1.712) 6.921 8.842 ( 6.706 0.000 1.712) 6.921 10.020 ( -0.442 0.000 -3.442) 3.470 10.020 ( 0.442 0.000 3.442) 3.470 10.203 ( -0.048 0.000 -2.192) 2.193 10.203 ( 0.048 0.000 2.192) 2.193 11.599 ( 2.249 0.000 -3.578) 4.227 11.599 ( -2.249 0.000 3.578) 4.227 12.168 ( 1.325 0.000 -0.597) 1.453 12.168 ( -1.325 0.000 0.597) 1.453 12.772 ( -4.346 0.000 1.342) 4.548 12.772 ( 4.346 0.000 -1.342) 4.548 12.826 ( -2.010 0.000 -2.096) 2.905 12.826 ( 2.010 0.000 2.096) 2.905 13.512 ( -4.464 0.000 1.069) 4.590 13.512 ( 4.464 0.000 -1.069) 4.590 13.715 ( 0.912 0.000 -1.161) 1.476 13.715 ( -0.912 0.000 1.161) 1.476 14.091 ( -0.122 0.000 -1.980) 1.984 14.091 ( 0.122 0.000 1.980) 1.984 17.609 ( 0.582 0.000 -1.647) 1.747 17.609 ( -0.582 0.000 1.647) 1.747 17.959 ( 0.448 0.000 -1.609) 1.670 17.959 ( -0.448 0.000 1.609) 1.670 19.533 ( -0.462 0.000 0.152) 0.486 19.533 ( 0.462 0.000 -0.152) 0.486 19.634 ( -0.262 0.000 -1.375) 1.399 19.634 ( 0.262 0.000 1.375) 1.399 19.829 ( -1.230 0.000 -0.761) 1.446 19.829 ( 1.230 0.000 0.761) 1.446 20.051 ( 0.396 0.000 -0.621) 0.736 20.051 ( -0.396 0.000 0.621) 0.736 20.241 ( -0.819 0.000 -0.507) 0.963 20.241 ( 0.819 0.000 0.507) 0.963 21.059 ( -2.458 0.000 -0.446) 2.498 21.059 ( 2.458 0.000 0.446) 2.498 21.353 ( 0.994 0.000 -1.470) 1.775 21.353 ( -0.994 0.000 1.470) 1.775 27.447 ( -0.441 0.000 -0.080) 0.448 27.447 ( 0.441 0.000 0.080) 0.448 27.568 ( -0.003 0.000 -0.518) 0.518 27.568 ( 0.003 0.000 0.518) 0.518 28.557 ( 0.269 0.000 -0.185) 0.327 28.557 ( -0.269 0.000 0.185) 0.327 35.085 ( -1.042 0.000 -0.545) 1.176 35.085 ( 1.042 0.000 0.545) 1.176 36.427 ( -0.885 0.000 -2.590) 2.737 36.427 ( 0.885 0.000 2.590) 2.737 38.547 ( -0.743 0.000 -3.766) 3.839 38.547 ( 0.743 0.000 3.766) 3.839 39.277 ( -0.124 0.000 -3.400) 3.402 39.277 ( 0.124 0.000 3.400) 3.402 40.222 ( -8.661 0.000 1.993) 8.887 40.222 ( 8.661 0.000 -1.993) 8.887 40.485 ( -9.543 0.000 -0.168) 9.544 40.485 ( 9.543 0.000 0.168) 9.544 ======================= Grid point 198 (88/90) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.271 0.000 3.180) 3.908 1.589 ( 2.470 0.000 -1.720) 3.010 1.731 ( -4.736 0.000 -2.393) 5.307 1.796 ( -3.679 0.000 3.441) 5.037 1.894 ( 2.448 0.000 4.811) 5.398 1.985 ( 3.782 0.000 -1.991) 4.274 2.330 ( 2.661 0.000 -2.832) 3.886 2.512 ( 4.049 0.000 0.532) 4.084 2.610 ( 2.572 0.000 -4.561) 5.236 2.698 ( -1.277 0.000 7.023) 7.138 2.839 ( -18.102 0.000 -2.308) 18.249 2.905 ( -6.382 -0.000 -7.052) 9.511 2.996 ( -16.562 0.000 -6.491) 17.788 3.188 ( -2.771 0.000 -1.031) 2.956 3.220 ( -0.323 0.000 0.075) 0.332 3.265 ( 2.465 0.000 9.297) 9.618 3.372 ( -5.470 0.000 0.247) 5.475 3.544 ( 5.017 0.000 9.468) 10.716 3.659 ( -5.276 -0.000 -3.253) 6.199 3.825 ( -3.739 -0.000 -1.916) 4.201 3.886 ( 2.115 -0.000 0.859) 2.283 3.887 ( 5.614 0.000 0.310) 5.623 4.028 ( -3.549 0.000 -4.603) 5.812 4.131 ( 4.277 -0.000 0.320) 4.289 4.192 ( -5.987 0.000 2.638) 6.542 4.236 ( -8.778 -0.000 -3.306) 9.380 4.355 ( -3.387 -0.000 -1.296) 3.627 4.592 ( -1.288 0.000 5.076) 5.236 4.628 ( 4.128 -0.000 4.020) 5.763 4.648 ( 1.353 0.000 -1.111) 1.750 4.780 ( 0.718 -0.000 -0.930) 1.175 4.795 ( 7.637 0.000 -4.475) 8.851 5.085 ( 0.302 0.000 3.832) 3.844 5.169 ( 7.710 0.000 -1.940) 7.950 5.640 ( 0.794 0.000 -6.195) 6.245 5.670 ( -5.736 0.000 -2.215) 6.149 5.739 ( 1.065 -0.000 4.861) 4.976 5.901 ( 1.371 0.000 2.355) 2.725 6.359 ( -3.255 0.000 5.934) 6.768 6.440 ( -2.182 0.000 -6.995) 7.327 6.732 ( -0.596 -0.000 4.131) 4.174 6.767 ( 4.636 0.000 -2.378) 5.210 6.945 ( 7.059 -0.000 -2.202) 7.394 6.974 ( 5.741 0.000 1.805) 6.018 8.270 ( -6.443 0.000 -1.322) 6.577 8.430 ( -6.883 0.000 0.765) 6.925 8.872 ( 9.371 0.000 1.859) 9.554 9.025 ( 9.290 0.000 -1.441) 9.401 10.011 ( 0.010 0.000 -3.682) 3.682 10.035 ( 0.639 0.000 2.259) 2.348 10.197 ( -0.373 0.000 -1.250) 1.304 10.205 ( -0.120 0.000 2.574) 2.577 11.569 ( -0.855 0.000 3.847) 3.941 11.641 ( 2.008 0.000 -4.872) 5.270 12.136 ( -1.554 0.000 -0.108) 1.558 12.175 ( -0.867 0.000 0.984) 1.311 12.722 ( -0.254 -0.000 -0.182) 0.313 12.771 ( -2.785 0.000 -0.868) 2.918 12.841 ( -0.804 0.000 0.994) 1.279 12.873 ( 4.547 0.000 -0.294) 4.556 13.429 ( -3.068 0.000 0.921) 3.203 13.581 ( 1.874 0.000 -1.289) 2.275 13.709 ( 0.288 0.000 1.801) 1.824 13.745 ( 2.200 0.000 -1.186) 2.499 14.057 ( -2.740 0.000 -1.505) 3.127 14.063 ( -2.999 -0.000 1.557) 3.379 17.572 ( -2.553 0.000 1.513) 2.968 17.586 ( -2.213 -0.000 -1.572) 2.715 18.000 ( 3.643 -0.000 1.664) 4.005 18.009 ( 3.857 0.000 -1.433) 4.114 19.518 ( -0.946 0.000 0.210) 0.970 19.537 ( -0.012 0.000 -0.125) 0.125 19.631 ( 0.242 0.000 -1.080) 1.107 19.640 ( 0.122 0.000 1.265) 1.271 19.807 ( -0.759 0.000 -0.795) 1.099 19.854 ( 0.962 0.000 0.674) 1.174 20.035 ( -1.078 0.000 0.917) 1.416 20.045 ( -0.842 0.000 -0.949) 1.269 20.230 ( -0.139 0.000 -0.962) 0.972 20.261 ( 0.882 0.000 0.881) 1.247 21.009 ( -1.951 0.000 -1.135) 2.257 21.097 ( 0.832 0.000 0.820) 1.168 21.343 ( 0.000 0.000 1.314) 1.314 21.373 ( 1.003 0.000 -1.202) 1.565 27.446 ( 0.326 0.000 0.038) 0.329 27.462 ( 0.920 0.000 -0.002) 0.920 27.568 ( 0.013 -0.000 -0.515) 0.515 27.569 ( 0.042 0.000 0.504) 0.506 28.552 ( -0.244 0.000 0.234) 0.338 28.561 ( 0.123 0.000 -0.187) 0.224 35.103 ( 2.881 0.000 -0.455) 2.916 35.144 ( 4.491 0.000 0.417) 4.510 36.329 ( -8.059 0.000 -2.115) 8.332 36.370 ( -6.441 0.000 1.800) 6.688 38.493 ( -4.263 -0.000 -1.843) 4.645 38.542 ( -1.555 0.000 5.525) 5.739 39.093 ( -15.141 0.000 -2.260) 15.309 39.142 ( -10.693 0.000 0.215) 10.695 40.124 ( -1.027 0.000 1.485) 1.805 40.331 ( 0.791 0.000 -7.496) 7.537 40.542 ( 14.263 -0.000 3.097) 14.595 40.765 ( 14.920 -0.000 1.563) 15.002 ======================= Grid point 200 (89/90) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -2.170 0.000 5.768) 6.163 1.592 ( -6.326 0.000 1.217) 6.442 1.655 ( 1.768 0.000 -4.713) 5.034 1.742 ( -2.208 0.000 5.149) 5.602 1.941 ( 1.319 0.000 2.758) 3.057 2.042 ( 1.334 0.000 -4.309) 4.511 2.362 ( -3.954 0.000 -1.420) 4.201 2.402 ( -9.390 0.000 -0.401) 9.398 2.535 ( -6.592 -0.000 0.105) 6.593 2.623 ( -12.322 -0.000 -6.272) 13.826 2.688 ( 1.603 0.000 5.532) 5.760 2.725 ( -1.146 -0.000 0.563) 1.277 2.946 ( 9.578 -0.000 -6.174) 11.395 3.037 ( -14.067 0.000 -4.828) 14.873 3.127 ( -2.628 0.000 -1.668) 3.113 3.228 ( -1.518 0.000 1.812) 2.364 3.454 ( 5.504 0.000 4.584) 7.162 3.564 ( -1.981 -0.000 1.240) 2.337 3.594 ( 0.914 0.000 9.255) 9.300 3.673 ( -8.782 -0.000 -1.657) 8.937 3.878 ( -2.131 0.000 0.445) 2.177 3.946 ( -1.671 0.000 -1.106) 2.004 3.975 ( -0.252 0.000 -5.050) 5.056 4.085 ( -3.265 0.000 1.973) 3.815 4.091 ( -4.499 0.000 0.629) 4.542 4.271 ( -3.841 -0.000 -1.780) 4.233 4.305 ( 7.915 0.000 -3.139) 8.515 4.562 ( -1.857 0.000 4.891) 5.232 4.655 ( -0.665 0.000 -5.305) 5.347 4.674 ( -0.970 -0.000 3.083) 3.232 4.787 ( 1.149 0.000 2.302) 2.573 4.864 ( -0.959 0.000 -3.065) 3.212 5.144 ( 6.175 0.000 2.634) 6.713 5.323 ( 5.870 -0.000 -2.966) 6.577 5.606 ( -0.426 0.000 3.095) 3.124 5.703 ( 4.685 0.000 -3.657) 5.943 5.731 ( -2.013 0.000 1.865) 2.744 5.886 ( -2.066 0.000 0.001) 2.066 6.342 ( 0.446 0.000 6.838) 6.852 6.388 ( -1.278 0.000 -7.994) 8.095 6.737 ( 0.813 0.000 5.893) 5.949 6.843 ( 2.336 0.000 -4.877) 5.408 7.091 ( 5.866 -2.267 -0.312) 6.296 7.091 ( 5.208 2.267 0.954) 5.759 8.174 ( -3.032 0.000 1.475) 3.372 8.269 ( -6.939 0.000 -2.466) 7.364 9.097 ( 10.072 0.000 4.523) 11.041 9.192 ( 6.835 0.000 -3.697) 7.771 10.014 ( 0.653 0.000 -2.814) 2.889 10.048 ( 0.309 0.000 0.728) 0.791 10.189 ( -0.141 0.000 -0.112) 0.180 10.205 ( -0.175 -0.000 2.149) 2.156 11.576 ( 0.949 0.000 5.355) 5.438 11.662 ( 0.641 0.000 -6.553) 6.584 12.108 ( -0.994 0.000 -2.043) 2.272 12.140 ( -2.350 0.000 3.470) 4.190 12.711 ( -1.935 0.000 0.626) 2.034 12.767 ( 3.452 -0.000 -2.243) 4.116 12.792 ( -3.422 0.000 -1.195) 3.624 12.938 ( 1.144 0.000 1.816) 2.146 13.406 ( 0.857 0.000 0.535) 1.011 13.582 ( -1.496 0.000 -1.062) 1.835 13.736 ( 2.051 0.000 2.650) 3.351 13.799 ( 2.946 0.000 -1.437) 3.278 13.981 ( -4.678 0.000 0.298) 4.687 13.988 ( -3.554 -0.000 -0.473) 3.585 17.526 ( -1.916 0.000 1.404) 2.376 17.536 ( -2.089 -0.000 -1.406) 2.518 18.083 ( 3.632 -0.000 1.608) 3.972 18.088 ( 3.556 0.000 -1.437) 3.835 19.501 ( -0.566 0.000 0.349) 0.665 19.531 ( -0.585 0.000 -0.539) 0.795 19.639 ( 0.521 0.000 -0.588) 0.786 19.643 ( 0.144 -0.000 1.357) 1.365 19.798 ( 0.094 0.000 -0.752) 0.758 19.863 ( -0.292 0.000 0.283) 0.406 20.017 ( -0.745 0.000 1.398) 1.584 20.022 ( -0.977 -0.000 -1.433) 1.735 20.232 ( 0.463 0.000 -1.740) 1.801 20.272 ( -0.100 0.000 1.887) 1.890 20.985 ( 0.004 0.000 -2.289) 2.289 21.090 ( -1.539 0.000 1.965) 2.496 21.357 ( 1.062 0.000 0.775) 1.315 21.388 ( 0.517 0.000 -0.848) 0.993 27.459 ( 0.828 0.000 0.277) 0.873 27.480 ( 0.708 0.000 -0.235) 0.747 27.567 ( 0.029 0.000 -0.481) 0.481 27.571 ( 0.016 -0.000 0.467) 0.467 28.549 ( -0.025 0.000 0.301) 0.302 28.561 ( -0.093 0.000 -0.253) 0.270 35.200 ( 6.390 0.000 -0.173) 6.393 35.263 ( 6.747 0.000 0.040) 6.747 36.119 ( -11.181 0.000 -0.499) 11.192 36.188 ( -10.691 -0.000 0.458) 10.700 38.386 ( -5.073 -0.000 -0.741) 5.127 38.493 ( -4.310 0.000 2.849) 5.166 38.784 ( -11.788 0.000 3.998) 12.447 38.920 ( -9.614 0.000 -4.760) 10.728 40.160 ( 3.390 0.000 4.404) 5.558 40.339 ( 0.485 0.000 -7.991) 8.006 40.855 ( 13.939 0.000 1.092) 13.982 41.030 ( 9.636 -0.000 1.258) 9.718 ======================= Grid point 202 (90/90) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.930 0.000 7.082) 7.143 1.477 ( -2.848 -0.000 -3.491) 4.506 1.682 ( 0.833 0.000 -3.549) 3.645 1.701 ( -2.005 0.000 3.216) 3.790 1.962 ( 0.762 -0.000 3.885) 3.959 2.006 ( -3.094 0.000 -5.489) 6.301 2.224 ( -4.679 0.000 3.121) 5.625 2.237 ( -4.264 -0.000 -0.665) 4.316 2.491 ( -1.228 0.000 -5.053) 5.200 2.496 ( -0.956 -0.000 2.814) 2.972 2.681 ( -1.254 0.000 2.833) 3.098 2.722 ( -3.781 0.000 -4.876) 6.170 2.879 ( 4.067 0.000 2.654) 4.856 3.001 ( -4.457 0.000 -2.828) 5.278 3.158 ( 3.844 -0.000 -7.281) 8.234 3.193 ( -1.773 0.000 4.263) 4.617 3.474 ( 0.302 -0.000 0.562) 0.639 3.524 ( -4.645 -0.000 -2.982) 5.520 3.657 ( 5.969 0.000 5.653) 8.221 3.669 ( 5.165 0.000 8.249) 9.733 3.820 ( -2.811 -0.000 -0.381) 2.836 3.882 ( -6.028 0.000 -9.226) 11.020 3.946 ( 0.908 0.000 1.668) 1.899 4.002 ( -3.894 0.000 -0.220) 3.900 4.082 ( 2.552 0.000 6.022) 6.540 4.181 ( -5.031 0.000 -5.062) 7.137 4.432 ( 4.895 0.000 -1.345) 5.076 4.517 ( -3.382 0.000 1.438) 3.675 4.620 ( -2.178 0.000 3.786) 4.368 4.622 ( -1.117 -0.000 -5.979) 6.082 4.829 ( 1.902 0.000 -0.079) 1.904 4.848 ( -0.340 0.000 1.994) 2.023 5.288 ( 6.211 0.000 1.741) 6.450 5.371 ( -0.986 0.000 -3.040) 3.196 5.627 ( 1.485 0.000 5.164) 5.373 5.676 ( -2.766 0.000 -2.536) 3.752 5.790 ( 3.697 0.000 -2.979) 4.748 5.844 ( -2.105 0.000 2.129) 2.994 6.365 ( 0.516 -0.000 5.090) 5.116 6.372 ( 0.196 0.000 -6.374) 6.377 6.783 ( 2.583 0.000 8.413) 8.800 6.842 ( -1.515 0.000 -7.792) 7.938 7.166 ( 2.071 -0.000 0.974) 2.288 7.173 ( 1.705 0.000 -0.479) 1.771 8.141 ( -0.454 0.000 2.415) 2.457 8.165 ( -2.758 0.000 -2.752) 3.896 9.255 ( 4.324 0.000 4.814) 6.471 9.282 ( 2.093 0.000 -4.558) 5.015 10.029 ( 0.981 -0.000 -1.311) 1.638 10.046 ( -0.586 0.000 0.228) 0.629 10.193 ( 0.469 0.000 0.058) 0.472 10.202 ( -0.335 -0.000 1.032) 1.085 11.613 ( 1.670 0.000 6.848) 7.049 11.651 ( -0.904 -0.000 -7.360) 7.415 12.093 ( -0.012 -0.000 -3.896) 3.896 12.103 ( -1.508 0.000 4.552) 4.795 12.690 ( 0.050 0.000 2.271) 2.272 12.722 ( -2.652 -0.000 -2.579) 3.699 12.850 ( 4.358 0.000 -3.756) 5.753 12.922 ( -2.707 -0.000 3.639) 4.536 13.455 ( 3.391 0.000 0.116) 3.393 13.528 ( -3.343 0.000 -0.518) 3.382 13.798 ( 3.534 0.000 2.586) 4.379 13.857 ( 2.874 0.000 -1.137) 3.090 13.884 ( -4.497 0.000 -1.468) 4.730 13.918 ( -3.174 -0.000 0.581) 3.227 17.501 ( -0.635 0.000 1.308) 1.454 17.504 ( -0.791 -0.000 -1.301) 1.523 18.138 ( 1.359 -0.000 1.549) 2.061 18.139 ( 1.404 0.000 -1.496) 2.051 19.499 ( 0.345 0.000 0.655) 0.740 19.514 ( -0.867 0.000 -0.817) 1.191 19.647 ( 0.282 0.000 -0.536) 0.605 19.648 ( 0.098 -0.000 1.023) 1.028 19.811 ( 1.235 0.000 -0.195) 1.250 19.842 ( -1.523 0.000 -0.129) 1.528 20.008 ( -0.304 0.000 1.587) 1.616 20.008 ( -0.212 -0.000 -1.577) 1.591 20.245 ( 0.958 0.000 -2.426) 2.608 20.263 ( -0.957 0.000 2.573) 2.745 21.003 ( 1.899 0.000 -2.999) 3.549 21.048 ( -2.524 0.000 2.839) 3.799 21.379 ( 0.890 0.000 0.511) 1.027 21.391 ( -0.172 0.000 -0.579) 0.604 27.476 ( 0.748 0.000 0.472) 0.885 27.486 ( -0.086 0.000 -0.461) 0.468 27.568 ( 0.119 0.000 -0.418) 0.435 27.570 ( -0.093 -0.000 0.417) 0.428 28.551 ( 0.211 0.000 0.348) 0.407 28.557 ( -0.251 0.000 -0.330) 0.415 35.344 ( 6.391 0.000 0.418) 6.405 35.386 ( 3.433 0.000 -0.652) 3.495 35.927 ( -5.238 0.000 1.179) 5.369 35.974 ( -8.457 0.000 -0.954) 8.510 38.319 ( -0.718 -0.000 0.289) 0.774 38.372 ( -5.590 0.000 -1.234) 5.725 38.682 ( -0.106 0.000 10.091) 10.092 38.754 ( -5.502 0.000 -8.732) 10.320 40.247 ( 3.812 0.000 7.147) 8.100 40.317 ( -1.833 0.000 -8.367) 8.566 41.080 ( 7.324 0.000 0.347) 7.332 41.144 ( 1.181 0.000 0.446) 1.262 =================== 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 3/28560 10.0 36.733 37.593 31.480 0.000 10.174 0.000 3/28560 20.0 10.770 14.050 10.007 0.000 4.374 0.000 3/28560 30.0 5.544 7.698 5.287 0.000 2.245 0.000 3/28560 40.0 3.695 5.190 3.537 0.000 1.470 0.000 3/28560 50.0 2.784 3.914 2.663 0.000 1.088 0.000 3/28560 60.0 2.243 3.149 2.143 0.000 0.864 0.000 3/28560 70.0 1.884 2.640 1.799 0.000 0.716 0.000 3/28560 80.0 1.628 2.277 1.553 0.000 0.611 0.000 3/28560 90.0 1.435 2.004 1.368 0.000 0.534 0.000 3/28560 100.0 1.285 1.792 1.224 0.000 0.474 0.000 3/28560 110.0 1.165 1.623 1.109 0.000 0.426 0.000 3/28560 120.0 1.066 1.484 1.014 0.000 0.387 0.000 3/28560 130.0 0.984 1.368 0.935 0.000 0.354 0.000 3/28560 140.0 0.914 1.270 0.868 0.000 0.327 0.000 3/28560 150.0 0.853 1.186 0.810 0.000 0.304 0.000 3/28560 160.0 0.801 1.113 0.760 0.000 0.283 0.000 3/28560 170.0 0.755 1.048 0.716 0.000 0.266 0.000 3/28560 180.0 0.714 0.991 0.677 0.000 0.250 0.000 3/28560 190.0 0.677 0.941 0.642 0.000 0.236 0.000 3/28560 200.0 0.644 0.895 0.610 0.000 0.224 0.000 3/28560 210.0 0.615 0.854 0.582 0.000 0.213 0.000 3/28560 220.0 0.588 0.817 0.556 0.000 0.203 0.000 3/28560 230.0 0.563 0.782 0.532 0.000 0.193 0.000 3/28560 240.0 0.541 0.751 0.511 0.000 0.185 0.000 3/28560 250.0 0.521 0.723 0.491 0.000 0.178 0.000 3/28560 260.0 0.502 0.696 0.473 0.000 0.170 0.000 3/28560 270.0 0.484 0.672 0.456 0.000 0.164 0.000 3/28560 280.0 0.468 0.650 0.440 0.000 0.158 0.000 3/28560 290.0 0.453 0.629 0.425 0.000 0.153 0.000 3/28560 300.0 0.440 0.609 0.412 0.000 0.147 0.000 3/28560 310.0 0.427 0.591 0.399 0.000 0.143 0.000 3/28560 320.0 0.415 0.574 0.387 0.000 0.138 0.000 3/28560 330.0 0.404 0.558 0.376 0.000 0.134 0.000 3/28560 340.0 0.393 0.543 0.365 0.000 0.130 0.000 3/28560 350.0 0.384 0.529 0.355 0.000 0.126 0.000 3/28560 360.0 0.374 0.516 0.346 0.000 0.123 0.000 3/28560 370.0 0.366 0.503 0.337 0.000 0.119 0.000 3/28560 380.0 0.358 0.492 0.329 0.000 0.116 0.000 3/28560 390.0 0.350 0.480 0.321 0.000 0.113 0.000 3/28560 400.0 0.343 0.470 0.313 0.000 0.111 0.000 3/28560 410.0 0.336 0.460 0.306 0.000 0.108 0.000 3/28560 420.0 0.329 0.450 0.299 0.000 0.105 0.000 3/28560 430.0 0.323 0.441 0.293 0.000 0.103 0.000 3/28560 440.0 0.317 0.432 0.286 0.000 0.101 0.000 3/28560 450.0 0.312 0.424 0.280 0.000 0.098 0.000 3/28560 460.0 0.306 0.416 0.275 0.000 0.096 0.000 3/28560 470.0 0.301 0.408 0.269 0.000 0.094 0.000 3/28560 480.0 0.296 0.401 0.264 0.000 0.093 0.000 3/28560 490.0 0.292 0.394 0.259 0.000 0.091 0.000 3/28560 500.0 0.287 0.388 0.254 0.000 0.089 0.000 3/28560 510.0 0.283 0.381 0.250 0.000 0.087 0.000 3/28560 520.0 0.279 0.375 0.245 0.000 0.086 0.000 3/28560 530.0 0.275 0.369 0.241 0.000 0.084 0.000 3/28560 540.0 0.271 0.363 0.237 0.000 0.083 0.000 3/28560 550.0 0.267 0.358 0.233 0.000 0.081 0.000 3/28560 560.0 0.264 0.352 0.229 0.000 0.080 0.000 3/28560 570.0 0.260 0.347 0.226 0.000 0.078 0.000 3/28560 580.0 0.257 0.342 0.222 0.000 0.077 0.000 3/28560 590.0 0.254 0.337 0.219 0.000 0.076 0.000 3/28560 600.0 0.251 0.333 0.215 0.000 0.075 0.000 3/28560 610.0 0.248 0.328 0.212 0.000 0.074 0.000 3/28560 620.0 0.245 0.324 0.209 0.000 0.072 0.000 3/28560 630.0 0.242 0.320 0.206 0.000 0.071 0.000 3/28560 640.0 0.239 0.315 0.203 0.000 0.070 0.000 3/28560 650.0 0.236 0.311 0.200 0.000 0.069 0.000 3/28560 660.0 0.234 0.308 0.197 0.000 0.068 0.000 3/28560 670.0 0.231 0.304 0.195 0.000 0.067 0.000 3/28560 680.0 0.229 0.300 0.192 0.000 0.066 0.000 3/28560 690.0 0.226 0.296 0.189 0.000 0.065 0.000 3/28560 700.0 0.224 0.293 0.187 0.000 0.065 0.000 3/28560 710.0 0.222 0.290 0.185 0.000 0.064 0.000 3/28560 720.0 0.219 0.286 0.182 0.000 0.063 0.000 3/28560 730.0 0.217 0.283 0.180 0.000 0.062 0.000 3/28560 740.0 0.215 0.280 0.178 0.000 0.061 0.000 3/28560 750.0 0.213 0.277 0.176 0.000 0.060 0.000 3/28560 760.0 0.211 0.274 0.174 0.000 0.060 0.000 3/28560 770.0 0.209 0.271 0.172 0.000 0.059 0.000 3/28560 780.0 0.207 0.268 0.170 0.000 0.058 0.000 3/28560 790.0 0.205 0.265 0.168 0.000 0.058 0.000 3/28560 800.0 0.203 0.262 0.166 0.000 0.057 0.000 3/28560 810.0 0.201 0.260 0.164 0.000 0.056 0.000 3/28560 820.0 0.199 0.257 0.162 0.000 0.056 0.000 3/28560 830.0 0.198 0.255 0.160 0.000 0.055 0.000 3/28560 840.0 0.196 0.252 0.159 0.000 0.054 0.000 3/28560 850.0 0.194 0.250 0.157 0.000 0.054 0.000 3/28560 860.0 0.193 0.247 0.155 0.000 0.053 0.000 3/28560 870.0 0.191 0.245 0.154 0.000 0.053 0.000 3/28560 880.0 0.189 0.243 0.152 0.000 0.052 0.000 3/28560 890.0 0.188 0.240 0.150 0.000 0.052 0.000 3/28560 900.0 0.186 0.238 0.149 0.000 0.051 0.000 3/28560 910.0 0.185 0.236 0.147 0.000 0.050 0.000 3/28560 920.0 0.183 0.234 0.146 0.000 0.050 0.000 3/28560 930.0 0.182 0.232 0.145 0.000 0.049 0.000 3/28560 940.0 0.180 0.230 0.143 0.000 0.049 0.000 3/28560 950.0 0.179 0.228 0.142 0.000 0.048 0.000 3/28560 960.0 0.177 0.226 0.140 0.000 0.048 0.000 3/28560 970.0 0.176 0.224 0.139 0.000 0.048 0.000 3/28560 980.0 0.175 0.222 0.138 0.000 0.047 0.000 3/28560 990.0 0.173 0.220 0.137 0.000 0.047 0.000 3/28560 1000.0 0.172 0.218 0.135 0.000 0.046 0.000 3/28560 Thermal conductivity related properties were written into "kappa-m7104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:06:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|