----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:06:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513449515090842 -3.913142920000000 0.000000000000000 b 5.513449515090842 3.913142920000000 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): *1 S 0.74543268377240 0.64310819338525 0.03816038428885 32.065 2 S 0.35689180661475 0.25456731622760 0.46183961571115 32.065 3 S 0.25456731622760 0.35689180661475 0.96183961571115 32.065 4 S 0.64310819338525 0.74543268377240 0.53816038428885 32.065 *5 S 0.31954951458379 0.68045048541621 0.25000000000000 32.065 6 S 0.68045048541621 0.31954951458379 0.75000000000000 32.065 *7 S 0.11500017608552 0.85092437012587 0.88058872225468 32.065 8 S 0.14907562987413 0.88499982391448 0.61941127774532 32.065 9 S 0.85092437012587 0.11500017608552 0.38058872225468 32.065 10 S 0.88499982391448 0.14907562987413 0.11941127774532 32.065 *11 K 0.44462525789896 0.10976888536260 0.18195479047722 39.098 12 K 0.89023111463740 0.55537474210104 0.31804520952278 39.098 13 K 0.55537474210104 0.89023111463740 0.81804520952278 39.098 14 K 0.10976888536260 0.44462525789896 0.68195479047722 39.098 *15 Sn 0.06204698120263 0.74964018271306 0.05801289818616 118.710 16 Sn 0.25035981728694 0.93795301879737 0.44198710181384 118.710 17 Sn 0.93795301879737 0.25035981728694 0.94198710181384 118.710 18 Sn 0.74964018271306 0.06204698120263 0.55801289818616 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.026899030181685 0.000000000000000 0.000000000000000 b 0.000000000000000 7.826285840000000 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): *1 S 0.19427043857882 0.44883775480643 0.03816038428885 32.065 > 1 2 S 0.80572956142118 0.44883775480643 0.46183961571115 32.065 > 2 3 S 0.80572956142118 0.55116224519357 0.96183961571115 32.065 > 3 4 S 0.19427043857882 0.55116224519357 0.53816038428885 32.065 > 4 *5 S 0.00000000000000 0.68045048541621 0.25000000000000 32.065 > 5 6 S 0.00000000000000 0.31954951458379 0.75000000000000 32.065 > 6 *7 S 0.98296227310569 0.86796209702018 0.88058872225468 32.065 > 7 8 S 0.01703772689431 0.86796209702018 0.61941127774532 32.065 > 8 9 S 0.98296227310569 0.13203790297983 0.38058872225468 32.065 > 9 10 S 0.01703772689431 0.13203790297983 0.11941127774532 32.065 > 10 11 S 0.69427043857882 0.94883775480643 0.03816038428885 32.065 > 1 12 S 0.30572956142118 0.94883775480643 0.46183961571115 32.065 > 2 13 S 0.30572956142118 0.05116224519357 0.96183961571115 32.065 > 3 14 S 0.69427043857882 0.05116224519357 0.53816038428885 32.065 > 4 15 S 0.50000000000000 0.18045048541621 0.25000000000000 32.065 > 5 16 S 0.50000000000000 0.81954951458379 0.75000000000000 32.065 > 6 17 S 0.48296227310569 0.36796209702018 0.88058872225468 32.065 > 7 18 S 0.51703772689431 0.36796209702018 0.61941127774532 32.065 > 8 19 S 0.48296227310569 0.63203790297982 0.38058872225468 32.065 > 9 20 S 0.51703772689431 0.63203790297982 0.11941127774532 32.065 > 10 *21 K 0.77719707163078 0.33257181373182 0.18195479047722 39.098 > 11 22 K 0.22280292836922 0.33257181373182 0.31804520952278 39.098 > 12 23 K 0.22280292836922 0.66742818626818 0.81804520952278 39.098 > 13 24 K 0.77719707163078 0.66742818626818 0.68195479047722 39.098 > 14 25 K 0.27719707163078 0.83257181373182 0.18195479047722 39.098 > 11 26 K 0.72280292836922 0.83257181373182 0.31804520952278 39.098 > 12 27 K 0.72280292836922 0.16742818626818 0.81804520952278 39.098 > 13 28 K 0.27719707163078 0.16742818626818 0.68195479047722 39.098 > 14 *29 Sn 0.90584358195785 0.84379660075521 0.05801289818616 118.710 > 15 30 Sn 0.09415641804215 0.84379660075521 0.44198710181384 118.710 > 16 31 Sn 0.09415641804215 0.15620339924479 0.94198710181384 118.710 > 17 32 Sn 0.90584358195785 0.15620339924479 0.55801289818616 118.710 > 18 33 Sn 0.40584358195785 0.34379660075521 0.05801289818616 118.710 > 15 34 Sn 0.59415641804215 0.34379660075521 0.44198710181384 118.710 > 16 35 Sn 0.59415641804215 0.65620339924479 0.94198710181384 118.710 > 17 36 Sn 0.40584358195785 0.65620339924479 0.55801289818616 118.710 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.053798060363370 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652571679999999 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): *1 S 0.09713521928941 0.22441887740321 0.03816038428885 32.065 > 1 2 S 0.59713521928941 0.22441887740321 0.03816038428885 32.065 > 1 3 S 0.09713521928941 0.72441887740321 0.03816038428885 32.065 > 1 4 S 0.59713521928941 0.72441887740321 0.03816038428885 32.065 > 1 5 S 0.40286478071059 0.22441887740321 0.46183961571115 32.065 > 2 6 S 0.90286478071059 0.22441887740321 0.46183961571115 32.065 > 2 7 S 0.40286478071059 0.72441887740321 0.46183961571115 32.065 > 2 8 S 0.90286478071059 0.72441887740321 0.46183961571115 32.065 > 2 9 S 0.40286478071059 0.27558112259679 0.96183961571115 32.065 > 3 10 S 0.90286478071059 0.27558112259679 0.96183961571115 32.065 > 3 11 S 0.40286478071059 0.77558112259679 0.96183961571115 32.065 > 3 12 S 0.90286478071059 0.77558112259679 0.96183961571115 32.065 > 3 13 S 0.09713521928941 0.27558112259679 0.53816038428885 32.065 > 4 14 S 0.59713521928941 0.27558112259679 0.53816038428885 32.065 > 4 15 S 0.09713521928941 0.77558112259679 0.53816038428885 32.065 > 4 16 S 0.59713521928941 0.77558112259679 0.53816038428885 32.065 > 4 *17 S 0.00000000000000 0.34022524270810 0.25000000000000 32.065 > 5 18 S 0.50000000000000 0.34022524270810 0.25000000000000 32.065 > 5 19 S 0.00000000000000 0.84022524270810 0.25000000000000 32.065 > 5 20 S 0.50000000000000 0.84022524270810 0.25000000000000 32.065 > 5 21 S 0.00000000000000 0.15977475729190 0.75000000000000 32.065 > 6 22 S 0.50000000000000 0.15977475729190 0.75000000000000 32.065 > 6 23 S 0.00000000000000 0.65977475729190 0.75000000000000 32.065 > 6 24 S 0.50000000000000 0.65977475729190 0.75000000000000 32.065 > 6 *25 S 0.49148113655285 0.43398104851009 0.88058872225468 32.065 > 7 26 S 0.99148113655285 0.43398104851009 0.88058872225468 32.065 > 7 27 S 0.49148113655285 0.93398104851009 0.88058872225468 32.065 > 7 28 S 0.99148113655285 0.93398104851009 0.88058872225468 32.065 > 7 29 S 0.00851886344715 0.43398104851009 0.61941127774532 32.065 > 8 30 S 0.50851886344715 0.43398104851009 0.61941127774532 32.065 > 8 31 S 0.00851886344715 0.93398104851009 0.61941127774532 32.065 > 8 32 S 0.50851886344715 0.93398104851009 0.61941127774532 32.065 > 8 33 S 0.49148113655285 0.06601895148991 0.38058872225468 32.065 > 9 34 S 0.99148113655285 0.06601895148991 0.38058872225468 32.065 > 9 35 S 0.49148113655285 0.56601895148991 0.38058872225468 32.065 > 9 36 S 0.99148113655285 0.56601895148991 0.38058872225468 32.065 > 9 37 S 0.00851886344715 0.06601895148991 0.11941127774532 32.065 > 10 38 S 0.50851886344715 0.06601895148991 0.11941127774532 32.065 > 10 39 S 0.00851886344715 0.56601895148991 0.11941127774532 32.065 > 10 40 S 0.50851886344715 0.56601895148991 0.11941127774532 32.065 > 10 41 S 0.34713521928941 0.47441887740321 0.03816038428885 32.065 > 1 42 S 0.84713521928941 0.47441887740321 0.03816038428885 32.065 > 1 43 S 0.34713521928941 0.97441887740321 0.03816038428885 32.065 > 1 44 S 0.84713521928941 0.97441887740321 0.03816038428885 32.065 > 1 45 S 0.15286478071059 0.47441887740321 0.46183961571115 32.065 > 2 46 S 0.65286478071059 0.47441887740321 0.46183961571115 32.065 > 2 47 S 0.15286478071059 0.97441887740321 0.46183961571115 32.065 > 2 48 S 0.65286478071059 0.97441887740321 0.46183961571115 32.065 > 2 49 S 0.15286478071059 0.02558112259679 0.96183961571115 32.065 > 3 50 S 0.65286478071059 0.02558112259679 0.96183961571115 32.065 > 3 51 S 0.15286478071059 0.52558112259679 0.96183961571115 32.065 > 3 52 S 0.65286478071059 0.52558112259679 0.96183961571115 32.065 > 3 53 S 0.34713521928941 0.02558112259679 0.53816038428885 32.065 > 4 54 S 0.84713521928941 0.02558112259679 0.53816038428885 32.065 > 4 55 S 0.34713521928941 0.52558112259679 0.53816038428885 32.065 > 4 56 S 0.84713521928941 0.52558112259679 0.53816038428885 32.065 > 4 57 S 0.25000000000000 0.09022524270810 0.25000000000000 32.065 > 5 58 S 0.75000000000000 0.09022524270810 0.25000000000000 32.065 > 5 59 S 0.25000000000000 0.59022524270810 0.25000000000000 32.065 > 5 60 S 0.75000000000000 0.59022524270810 0.25000000000000 32.065 > 5 61 S 0.25000000000000 0.40977475729190 0.75000000000000 32.065 > 6 62 S 0.75000000000000 0.40977475729190 0.75000000000000 32.065 > 6 63 S 0.25000000000000 0.90977475729190 0.75000000000000 32.065 > 6 64 S 0.75000000000000 0.90977475729190 0.75000000000000 32.065 > 6 65 S 0.24148113655285 0.18398104851009 0.88058872225468 32.065 > 7 66 S 0.74148113655285 0.18398104851009 0.88058872225468 32.065 > 7 67 S 0.24148113655285 0.68398104851009 0.88058872225468 32.065 > 7 68 S 0.74148113655285 0.68398104851009 0.88058872225468 32.065 > 7 69 S 0.25851886344715 0.18398104851009 0.61941127774532 32.065 > 8 70 S 0.75851886344715 0.18398104851009 0.61941127774532 32.065 > 8 71 S 0.25851886344715 0.68398104851009 0.61941127774532 32.065 > 8 72 S 0.75851886344715 0.68398104851009 0.61941127774532 32.065 > 8 73 S 0.24148113655285 0.31601895148991 0.38058872225468 32.065 > 9 74 S 0.74148113655285 0.31601895148991 0.38058872225468 32.065 > 9 75 S 0.24148113655285 0.81601895148991 0.38058872225468 32.065 > 9 76 S 0.74148113655285 0.81601895148991 0.38058872225468 32.065 > 9 77 S 0.25851886344715 0.31601895148991 0.11941127774532 32.065 > 10 78 S 0.75851886344715 0.31601895148991 0.11941127774532 32.065 > 10 79 S 0.25851886344715 0.81601895148991 0.11941127774532 32.065 > 10 80 S 0.75851886344715 0.81601895148991 0.11941127774532 32.065 > 10 *81 K 0.38859853581539 0.16628590686591 0.18195479047722 39.098 > 11 82 K 0.88859853581539 0.16628590686591 0.18195479047722 39.098 > 11 83 K 0.38859853581539 0.66628590686591 0.18195479047722 39.098 > 11 84 K 0.88859853581539 0.66628590686591 0.18195479047722 39.098 > 11 85 K 0.11140146418461 0.16628590686591 0.31804520952278 39.098 > 12 86 K 0.61140146418461 0.16628590686591 0.31804520952278 39.098 > 12 87 K 0.11140146418461 0.66628590686591 0.31804520952278 39.098 > 12 88 K 0.61140146418461 0.66628590686591 0.31804520952278 39.098 > 12 89 K 0.11140146418461 0.33371409313409 0.81804520952278 39.098 > 13 90 K 0.61140146418461 0.33371409313409 0.81804520952278 39.098 > 13 91 K 0.11140146418461 0.83371409313409 0.81804520952278 39.098 > 13 92 K 0.61140146418461 0.83371409313409 0.81804520952278 39.098 > 13 93 K 0.38859853581539 0.33371409313409 0.68195479047722 39.098 > 14 94 K 0.88859853581539 0.33371409313409 0.68195479047722 39.098 > 14 95 K 0.38859853581539 0.83371409313409 0.68195479047722 39.098 > 14 96 K 0.88859853581539 0.83371409313409 0.68195479047722 39.098 > 14 97 K 0.13859853581539 0.41628590686591 0.18195479047722 39.098 > 11 98 K 0.63859853581539 0.41628590686591 0.18195479047722 39.098 > 11 99 K 0.13859853581539 0.91628590686591 0.18195479047722 39.098 > 11 100 K 0.63859853581539 0.91628590686591 0.18195479047722 39.098 > 11 101 K 0.36140146418461 0.41628590686591 0.31804520952278 39.098 > 12 102 K 0.86140146418461 0.41628590686591 0.31804520952278 39.098 > 12 103 K 0.36140146418461 0.91628590686591 0.31804520952278 39.098 > 12 104 K 0.86140146418461 0.91628590686591 0.31804520952278 39.098 > 12 105 K 0.36140146418461 0.08371409313409 0.81804520952278 39.098 > 13 106 K 0.86140146418461 0.08371409313409 0.81804520952278 39.098 > 13 107 K 0.36140146418461 0.58371409313409 0.81804520952278 39.098 > 13 108 K 0.86140146418461 0.58371409313409 0.81804520952278 39.098 > 13 109 K 0.13859853581539 0.08371409313409 0.68195479047722 39.098 > 14 110 K 0.63859853581539 0.08371409313409 0.68195479047722 39.098 > 14 111 K 0.13859853581539 0.58371409313409 0.68195479047722 39.098 > 14 112 K 0.63859853581539 0.58371409313409 0.68195479047722 39.098 > 14 *113 Sn 0.45292179097892 0.42189830037761 0.05801289818616 118.710 > 15 114 Sn 0.95292179097892 0.42189830037761 0.05801289818616 118.710 > 15 115 Sn 0.45292179097892 0.92189830037761 0.05801289818616 118.710 > 15 116 Sn 0.95292179097892 0.92189830037761 0.05801289818616 118.710 > 15 117 Sn 0.04707820902108 0.42189830037761 0.44198710181384 118.710 > 16 118 Sn 0.54707820902108 0.42189830037761 0.44198710181384 118.710 > 16 119 Sn 0.04707820902108 0.92189830037761 0.44198710181384 118.710 > 16 120 Sn 0.54707820902108 0.92189830037761 0.44198710181384 118.710 > 16 121 Sn 0.04707820902108 0.07810169962239 0.94198710181384 118.710 > 17 122 Sn 0.54707820902108 0.07810169962239 0.94198710181384 118.710 > 17 123 Sn 0.04707820902108 0.57810169962239 0.94198710181384 118.710 > 17 124 Sn 0.54707820902108 0.57810169962239 0.94198710181384 118.710 > 17 125 Sn 0.45292179097892 0.07810169962239 0.55801289818616 118.710 > 18 126 Sn 0.95292179097892 0.07810169962239 0.55801289818616 118.710 > 18 127 Sn 0.45292179097892 0.57810169962239 0.55801289818616 118.710 > 18 128 Sn 0.95292179097892 0.57810169962239 0.55801289818616 118.710 > 18 129 Sn 0.20292179097892 0.17189830037761 0.05801289818616 118.710 > 15 130 Sn 0.70292179097892 0.17189830037761 0.05801289818616 118.710 > 15 131 Sn 0.20292179097892 0.67189830037761 0.05801289818616 118.710 > 15 132 Sn 0.70292179097892 0.67189830037761 0.05801289818616 118.710 > 15 133 Sn 0.29707820902108 0.17189830037761 0.44198710181384 118.710 > 16 134 Sn 0.79707820902108 0.17189830037761 0.44198710181384 118.710 > 16 135 Sn 0.29707820902108 0.67189830037761 0.44198710181384 118.710 > 16 136 Sn 0.79707820902108 0.67189830037761 0.44198710181384 118.710 > 16 137 Sn 0.29707820902108 0.32810169962239 0.94198710181384 118.710 > 17 138 Sn 0.79707820902108 0.32810169962239 0.94198710181384 118.710 > 17 139 Sn 0.29707820902108 0.82810169962239 0.94198710181384 118.710 > 17 140 Sn 0.79707820902108 0.82810169962239 0.94198710181384 118.710 > 17 141 Sn 0.20292179097892 0.32810169962239 0.55801289818616 118.710 > 18 142 Sn 0.70292179097892 0.32810169962239 0.55801289818616 118.710 > 18 143 Sn 0.20292179097892 0.82810169962239 0.55801289818616 118.710 > 18 144 Sn 0.70292179097892 0.82810169962239 0.55801289818616 118.710 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7435487 0.0000000 -0.1771674 0.0000000 5.0073693 0.0000000 -0.1771635 0.0000000 6.5935657 -------------------------- Born effective charges -------------------------- 1 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 2 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 3 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 4 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 5 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 6 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 7 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 8 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 9 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 10 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 11 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 12 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 13 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 14 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 15 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 16 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 17 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 18 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.019 Solver_block: 100 / 560 - Time: 1.248 Solver_block: 200 / 560 - Time: 1.203 Solver_block: 300 / 560 - Time: 1.210 Solver_block: 400 / 560 - Time: 2.013 Solver_block: 500 / 560 - Time: 1.639 Solver_block: 560 / 560 - Time: 0.835 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.491 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:07:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:07:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513449515090842 -3.913142920000000 0.000000000000000 b 5.513449515090842 3.913142920000000 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): 1 S 0.74543268377240 0.64310819338525 0.03816038428885 32.065 2 S 0.35689180661475 0.25456731622760 0.46183961571115 32.065 3 S 0.25456731622760 0.35689180661475 0.96183961571115 32.065 4 S 0.64310819338525 0.74543268377240 0.53816038428885 32.065 5 S 0.31954951458379 0.68045048541621 0.25000000000000 32.065 6 S 0.68045048541621 0.31954951458379 0.75000000000000 32.065 7 S 0.11500017608552 0.85092437012587 0.88058872225468 32.065 8 S 0.14907562987413 0.88499982391448 0.61941127774532 32.065 9 S 0.85092437012587 0.11500017608552 0.38058872225468 32.065 10 S 0.88499982391448 0.14907562987413 0.11941127774532 32.065 11 K 0.44462525789896 0.10976888536260 0.18195479047722 39.098 12 K 0.89023111463740 0.55537474210104 0.31804520952278 39.098 13 K 0.55537474210104 0.89023111463740 0.81804520952278 39.098 14 K 0.10976888536260 0.44462525789896 0.68195479047722 39.098 15 Sn 0.06204698120263 0.74964018271306 0.05801289818616 118.710 16 Sn 0.25035981728694 0.93795301879737 0.44198710181384 118.710 17 Sn 0.93795301879737 0.25035981728694 0.94198710181384 118.710 18 Sn 0.74964018271306 0.06204698120263 0.55801289818616 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.053798060363370 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652571679999999 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): 1 S 0.09713521928941 0.22441887740321 0.03816038428885 32.065 > 1 2 S 0.59713521928941 0.22441887740321 0.03816038428885 32.065 > 1 3 S 0.09713521928941 0.72441887740321 0.03816038428885 32.065 > 1 4 S 0.59713521928941 0.72441887740321 0.03816038428885 32.065 > 1 5 S 0.40286478071059 0.22441887740321 0.46183961571115 32.065 > 5 6 S 0.90286478071059 0.22441887740321 0.46183961571115 32.065 > 5 7 S 0.40286478071059 0.72441887740321 0.46183961571115 32.065 > 5 8 S 0.90286478071059 0.72441887740321 0.46183961571115 32.065 > 5 9 S 0.40286478071059 0.27558112259679 0.96183961571115 32.065 > 9 10 S 0.90286478071059 0.27558112259679 0.96183961571115 32.065 > 9 11 S 0.40286478071059 0.77558112259679 0.96183961571115 32.065 > 9 12 S 0.90286478071059 0.77558112259679 0.96183961571115 32.065 > 9 13 S 0.09713521928941 0.27558112259679 0.53816038428885 32.065 > 13 14 S 0.59713521928941 0.27558112259679 0.53816038428885 32.065 > 13 15 S 0.09713521928941 0.77558112259679 0.53816038428885 32.065 > 13 16 S 0.59713521928941 0.77558112259679 0.53816038428885 32.065 > 13 17 S 0.00000000000000 0.34022524270810 0.25000000000000 32.065 > 17 18 S 0.50000000000000 0.34022524270810 0.25000000000000 32.065 > 17 19 S 0.00000000000000 0.84022524270810 0.25000000000000 32.065 > 17 20 S 0.50000000000000 0.84022524270810 0.25000000000000 32.065 > 17 21 S 0.00000000000000 0.15977475729190 0.75000000000000 32.065 > 21 22 S 0.50000000000000 0.15977475729190 0.75000000000000 32.065 > 21 23 S 0.00000000000000 0.65977475729190 0.75000000000000 32.065 > 21 24 S 0.50000000000000 0.65977475729190 0.75000000000000 32.065 > 21 25 S 0.49148113655285 0.43398104851009 0.88058872225468 32.065 > 25 26 S 0.99148113655285 0.43398104851009 0.88058872225468 32.065 > 25 27 S 0.49148113655285 0.93398104851009 0.88058872225468 32.065 > 25 28 S 0.99148113655285 0.93398104851009 0.88058872225468 32.065 > 25 29 S 0.00851886344715 0.43398104851009 0.61941127774532 32.065 > 29 30 S 0.50851886344715 0.43398104851009 0.61941127774532 32.065 > 29 31 S 0.00851886344715 0.93398104851009 0.61941127774532 32.065 > 29 32 S 0.50851886344715 0.93398104851009 0.61941127774532 32.065 > 29 33 S 0.49148113655285 0.06601895148991 0.38058872225468 32.065 > 33 34 S 0.99148113655285 0.06601895148991 0.38058872225468 32.065 > 33 35 S 0.49148113655285 0.56601895148991 0.38058872225468 32.065 > 33 36 S 0.99148113655285 0.56601895148991 0.38058872225468 32.065 > 33 37 S 0.00851886344715 0.06601895148991 0.11941127774532 32.065 > 37 38 S 0.50851886344715 0.06601895148991 0.11941127774532 32.065 > 37 39 S 0.00851886344715 0.56601895148991 0.11941127774532 32.065 > 37 40 S 0.50851886344715 0.56601895148991 0.11941127774532 32.065 > 37 41 S 0.34713521928941 0.47441887740321 0.03816038428885 32.065 > 1 42 S 0.84713521928941 0.47441887740321 0.03816038428885 32.065 > 1 43 S 0.34713521928941 0.97441887740321 0.03816038428885 32.065 > 1 44 S 0.84713521928941 0.97441887740321 0.03816038428885 32.065 > 1 45 S 0.15286478071059 0.47441887740321 0.46183961571115 32.065 > 5 46 S 0.65286478071059 0.47441887740321 0.46183961571115 32.065 > 5 47 S 0.15286478071059 0.97441887740321 0.46183961571115 32.065 > 5 48 S 0.65286478071059 0.97441887740321 0.46183961571115 32.065 > 5 49 S 0.15286478071059 0.02558112259679 0.96183961571115 32.065 > 9 50 S 0.65286478071059 0.02558112259679 0.96183961571115 32.065 > 9 51 S 0.15286478071059 0.52558112259679 0.96183961571115 32.065 > 9 52 S 0.65286478071059 0.52558112259679 0.96183961571115 32.065 > 9 53 S 0.34713521928941 0.02558112259679 0.53816038428885 32.065 > 13 54 S 0.84713521928941 0.02558112259679 0.53816038428885 32.065 > 13 55 S 0.34713521928941 0.52558112259679 0.53816038428885 32.065 > 13 56 S 0.84713521928941 0.52558112259679 0.53816038428885 32.065 > 13 57 S 0.25000000000000 0.09022524270810 0.25000000000000 32.065 > 17 58 S 0.75000000000000 0.09022524270810 0.25000000000000 32.065 > 17 59 S 0.25000000000000 0.59022524270810 0.25000000000000 32.065 > 17 60 S 0.75000000000000 0.59022524270810 0.25000000000000 32.065 > 17 61 S 0.25000000000000 0.40977475729190 0.75000000000000 32.065 > 21 62 S 0.75000000000000 0.40977475729190 0.75000000000000 32.065 > 21 63 S 0.25000000000000 0.90977475729190 0.75000000000000 32.065 > 21 64 S 0.75000000000000 0.90977475729190 0.75000000000000 32.065 > 21 65 S 0.24148113655285 0.18398104851009 0.88058872225468 32.065 > 25 66 S 0.74148113655285 0.18398104851009 0.88058872225468 32.065 > 25 67 S 0.24148113655285 0.68398104851009 0.88058872225468 32.065 > 25 68 S 0.74148113655285 0.68398104851009 0.88058872225468 32.065 > 25 69 S 0.25851886344715 0.18398104851009 0.61941127774532 32.065 > 29 70 S 0.75851886344715 0.18398104851009 0.61941127774532 32.065 > 29 71 S 0.25851886344715 0.68398104851009 0.61941127774532 32.065 > 29 72 S 0.75851886344715 0.68398104851009 0.61941127774532 32.065 > 29 73 S 0.24148113655285 0.31601895148991 0.38058872225468 32.065 > 33 74 S 0.74148113655285 0.31601895148991 0.38058872225468 32.065 > 33 75 S 0.24148113655285 0.81601895148991 0.38058872225468 32.065 > 33 76 S 0.74148113655285 0.81601895148991 0.38058872225468 32.065 > 33 77 S 0.25851886344715 0.31601895148991 0.11941127774532 32.065 > 37 78 S 0.75851886344715 0.31601895148991 0.11941127774532 32.065 > 37 79 S 0.25851886344715 0.81601895148991 0.11941127774532 32.065 > 37 80 S 0.75851886344715 0.81601895148991 0.11941127774532 32.065 > 37 81 K 0.38859853581539 0.16628590686591 0.18195479047722 39.098 > 81 82 K 0.88859853581539 0.16628590686591 0.18195479047722 39.098 > 81 83 K 0.38859853581539 0.66628590686591 0.18195479047722 39.098 > 81 84 K 0.88859853581539 0.66628590686591 0.18195479047722 39.098 > 81 85 K 0.11140146418461 0.16628590686591 0.31804520952278 39.098 > 85 86 K 0.61140146418461 0.16628590686591 0.31804520952278 39.098 > 85 87 K 0.11140146418461 0.66628590686591 0.31804520952278 39.098 > 85 88 K 0.61140146418461 0.66628590686591 0.31804520952278 39.098 > 85 89 K 0.11140146418461 0.33371409313409 0.81804520952278 39.098 > 89 90 K 0.61140146418461 0.33371409313409 0.81804520952278 39.098 > 89 91 K 0.11140146418461 0.83371409313409 0.81804520952278 39.098 > 89 92 K 0.61140146418461 0.83371409313409 0.81804520952278 39.098 > 89 93 K 0.38859853581539 0.33371409313409 0.68195479047722 39.098 > 93 94 K 0.88859853581539 0.33371409313409 0.68195479047722 39.098 > 93 95 K 0.38859853581539 0.83371409313409 0.68195479047722 39.098 > 93 96 K 0.88859853581539 0.83371409313409 0.68195479047722 39.098 > 93 97 K 0.13859853581539 0.41628590686591 0.18195479047722 39.098 > 81 98 K 0.63859853581539 0.41628590686591 0.18195479047722 39.098 > 81 99 K 0.13859853581539 0.91628590686591 0.18195479047722 39.098 > 81 100 K 0.63859853581539 0.91628590686591 0.18195479047722 39.098 > 81 101 K 0.36140146418461 0.41628590686591 0.31804520952278 39.098 > 85 102 K 0.86140146418461 0.41628590686591 0.31804520952278 39.098 > 85 103 K 0.36140146418461 0.91628590686591 0.31804520952278 39.098 > 85 104 K 0.86140146418461 0.91628590686591 0.31804520952278 39.098 > 85 105 K 0.36140146418461 0.08371409313409 0.81804520952278 39.098 > 89 106 K 0.86140146418461 0.08371409313409 0.81804520952278 39.098 > 89 107 K 0.36140146418461 0.58371409313409 0.81804520952278 39.098 > 89 108 K 0.86140146418461 0.58371409313409 0.81804520952278 39.098 > 89 109 K 0.13859853581539 0.08371409313409 0.68195479047722 39.098 > 93 110 K 0.63859853581539 0.08371409313409 0.68195479047722 39.098 > 93 111 K 0.13859853581539 0.58371409313409 0.68195479047722 39.098 > 93 112 K 0.63859853581539 0.58371409313409 0.68195479047722 39.098 > 93 113 Sn 0.45292179097892 0.42189830037761 0.05801289818616 118.710 > 113 114 Sn 0.95292179097892 0.42189830037761 0.05801289818616 118.710 > 113 115 Sn 0.45292179097892 0.92189830037761 0.05801289818616 118.710 > 113 116 Sn 0.95292179097892 0.92189830037761 0.05801289818616 118.710 > 113 117 Sn 0.04707820902108 0.42189830037761 0.44198710181384 118.710 > 117 118 Sn 0.54707820902108 0.42189830037761 0.44198710181384 118.710 > 117 119 Sn 0.04707820902108 0.92189830037761 0.44198710181384 118.710 > 117 120 Sn 0.54707820902108 0.92189830037761 0.44198710181384 118.710 > 117 121 Sn 0.04707820902108 0.07810169962239 0.94198710181384 118.710 > 121 122 Sn 0.54707820902108 0.07810169962239 0.94198710181384 118.710 > 121 123 Sn 0.04707820902108 0.57810169962239 0.94198710181384 118.710 > 121 124 Sn 0.54707820902108 0.57810169962239 0.94198710181384 118.710 > 121 125 Sn 0.45292179097892 0.07810169962239 0.55801289818616 118.710 > 125 126 Sn 0.95292179097892 0.07810169962239 0.55801289818616 118.710 > 125 127 Sn 0.45292179097892 0.57810169962239 0.55801289818616 118.710 > 125 128 Sn 0.95292179097892 0.57810169962239 0.55801289818616 118.710 > 125 129 Sn 0.20292179097892 0.17189830037761 0.05801289818616 118.710 > 113 130 Sn 0.70292179097892 0.17189830037761 0.05801289818616 118.710 > 113 131 Sn 0.20292179097892 0.67189830037761 0.05801289818616 118.710 > 113 132 Sn 0.70292179097892 0.67189830037761 0.05801289818616 118.710 > 113 133 Sn 0.29707820902108 0.17189830037761 0.44198710181384 118.710 > 117 134 Sn 0.79707820902108 0.17189830037761 0.44198710181384 118.710 > 117 135 Sn 0.29707820902108 0.67189830037761 0.44198710181384 118.710 > 117 136 Sn 0.79707820902108 0.67189830037761 0.44198710181384 118.710 > 117 137 Sn 0.29707820902108 0.32810169962239 0.94198710181384 118.710 > 121 138 Sn 0.79707820902108 0.32810169962239 0.94198710181384 118.710 > 121 139 Sn 0.29707820902108 0.82810169962239 0.94198710181384 118.710 > 121 140 Sn 0.79707820902108 0.82810169962239 0.94198710181384 118.710 > 121 141 Sn 0.20292179097892 0.32810169962239 0.55801289818616 118.710 > 125 142 Sn 0.70292179097892 0.32810169962239 0.55801289818616 118.710 > 125 143 Sn 0.20292179097892 0.82810169962239 0.55801289818616 118.710 > 125 144 Sn 0.70292179097892 0.82810169962239 0.55801289818616 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7435487 0.0000000 -0.1771674 0.0000000 5.0073693 0.0000000 -0.1771635 0.0000000 6.5935657 -------------------------- Born effective charges -------------------------- 1 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 2 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 3 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 4 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 5 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 6 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 7 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 8 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 9 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 10 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 11 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 12 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 13 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 14 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 15 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 16 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 17 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 18 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:08:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513449515090842 -3.913142920000000 0.000000000000000 b 5.513449515090842 3.913142920000000 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): 1 S 0.74543268377240 0.64310819338525 0.03816038428885 32.065 2 S 0.35689180661475 0.25456731622760 0.46183961571115 32.065 3 S 0.25456731622760 0.35689180661475 0.96183961571115 32.065 4 S 0.64310819338525 0.74543268377240 0.53816038428885 32.065 5 S 0.31954951458379 0.68045048541621 0.25000000000000 32.065 6 S 0.68045048541621 0.31954951458379 0.75000000000000 32.065 7 S 0.11500017608552 0.85092437012587 0.88058872225468 32.065 8 S 0.14907562987413 0.88499982391448 0.61941127774532 32.065 9 S 0.85092437012587 0.11500017608552 0.38058872225468 32.065 10 S 0.88499982391448 0.14907562987413 0.11941127774532 32.065 11 K 0.44462525789896 0.10976888536260 0.18195479047722 39.098 12 K 0.89023111463740 0.55537474210104 0.31804520952278 39.098 13 K 0.55537474210104 0.89023111463740 0.81804520952278 39.098 14 K 0.10976888536260 0.44462525789896 0.68195479047722 39.098 15 Sn 0.06204698120263 0.74964018271306 0.05801289818616 118.710 16 Sn 0.25035981728694 0.93795301879737 0.44198710181384 118.710 17 Sn 0.93795301879737 0.25035981728694 0.94198710181384 118.710 18 Sn 0.74964018271306 0.06204698120263 0.55801289818616 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.053798060363370 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652571679999999 0.000000000000000 c -3.540765511432207 0.000000000000000 10.965689485972748 Atomic positions (fractional): 1 S 0.09713521928941 0.22441887740321 0.03816038428885 32.065 > 1 2 S 0.59713521928941 0.22441887740321 0.03816038428885 32.065 > 1 3 S 0.09713521928941 0.72441887740321 0.03816038428885 32.065 > 1 4 S 0.59713521928941 0.72441887740321 0.03816038428885 32.065 > 1 5 S 0.40286478071059 0.22441887740321 0.46183961571115 32.065 > 5 6 S 0.90286478071059 0.22441887740321 0.46183961571115 32.065 > 5 7 S 0.40286478071059 0.72441887740321 0.46183961571115 32.065 > 5 8 S 0.90286478071059 0.72441887740321 0.46183961571115 32.065 > 5 9 S 0.40286478071059 0.27558112259679 0.96183961571115 32.065 > 9 10 S 0.90286478071059 0.27558112259679 0.96183961571115 32.065 > 9 11 S 0.40286478071059 0.77558112259679 0.96183961571115 32.065 > 9 12 S 0.90286478071059 0.77558112259679 0.96183961571115 32.065 > 9 13 S 0.09713521928941 0.27558112259679 0.53816038428885 32.065 > 13 14 S 0.59713521928941 0.27558112259679 0.53816038428885 32.065 > 13 15 S 0.09713521928941 0.77558112259679 0.53816038428885 32.065 > 13 16 S 0.59713521928941 0.77558112259679 0.53816038428885 32.065 > 13 17 S 0.00000000000000 0.34022524270810 0.25000000000000 32.065 > 17 18 S 0.50000000000000 0.34022524270810 0.25000000000000 32.065 > 17 19 S 0.00000000000000 0.84022524270810 0.25000000000000 32.065 > 17 20 S 0.50000000000000 0.84022524270810 0.25000000000000 32.065 > 17 21 S 0.00000000000000 0.15977475729190 0.75000000000000 32.065 > 21 22 S 0.50000000000000 0.15977475729190 0.75000000000000 32.065 > 21 23 S 0.00000000000000 0.65977475729190 0.75000000000000 32.065 > 21 24 S 0.50000000000000 0.65977475729190 0.75000000000000 32.065 > 21 25 S 0.49148113655285 0.43398104851009 0.88058872225468 32.065 > 25 26 S 0.99148113655285 0.43398104851009 0.88058872225468 32.065 > 25 27 S 0.49148113655285 0.93398104851009 0.88058872225468 32.065 > 25 28 S 0.99148113655285 0.93398104851009 0.88058872225468 32.065 > 25 29 S 0.00851886344715 0.43398104851009 0.61941127774532 32.065 > 29 30 S 0.50851886344715 0.43398104851009 0.61941127774532 32.065 > 29 31 S 0.00851886344715 0.93398104851009 0.61941127774532 32.065 > 29 32 S 0.50851886344715 0.93398104851009 0.61941127774532 32.065 > 29 33 S 0.49148113655285 0.06601895148991 0.38058872225468 32.065 > 33 34 S 0.99148113655285 0.06601895148991 0.38058872225468 32.065 > 33 35 S 0.49148113655285 0.56601895148991 0.38058872225468 32.065 > 33 36 S 0.99148113655285 0.56601895148991 0.38058872225468 32.065 > 33 37 S 0.00851886344715 0.06601895148991 0.11941127774532 32.065 > 37 38 S 0.50851886344715 0.06601895148991 0.11941127774532 32.065 > 37 39 S 0.00851886344715 0.56601895148991 0.11941127774532 32.065 > 37 40 S 0.50851886344715 0.56601895148991 0.11941127774532 32.065 > 37 41 S 0.34713521928941 0.47441887740321 0.03816038428885 32.065 > 1 42 S 0.84713521928941 0.47441887740321 0.03816038428885 32.065 > 1 43 S 0.34713521928941 0.97441887740321 0.03816038428885 32.065 > 1 44 S 0.84713521928941 0.97441887740321 0.03816038428885 32.065 > 1 45 S 0.15286478071059 0.47441887740321 0.46183961571115 32.065 > 5 46 S 0.65286478071059 0.47441887740321 0.46183961571115 32.065 > 5 47 S 0.15286478071059 0.97441887740321 0.46183961571115 32.065 > 5 48 S 0.65286478071059 0.97441887740321 0.46183961571115 32.065 > 5 49 S 0.15286478071059 0.02558112259679 0.96183961571115 32.065 > 9 50 S 0.65286478071059 0.02558112259679 0.96183961571115 32.065 > 9 51 S 0.15286478071059 0.52558112259679 0.96183961571115 32.065 > 9 52 S 0.65286478071059 0.52558112259679 0.96183961571115 32.065 > 9 53 S 0.34713521928941 0.02558112259679 0.53816038428885 32.065 > 13 54 S 0.84713521928941 0.02558112259679 0.53816038428885 32.065 > 13 55 S 0.34713521928941 0.52558112259679 0.53816038428885 32.065 > 13 56 S 0.84713521928941 0.52558112259679 0.53816038428885 32.065 > 13 57 S 0.25000000000000 0.09022524270810 0.25000000000000 32.065 > 17 58 S 0.75000000000000 0.09022524270810 0.25000000000000 32.065 > 17 59 S 0.25000000000000 0.59022524270810 0.25000000000000 32.065 > 17 60 S 0.75000000000000 0.59022524270810 0.25000000000000 32.065 > 17 61 S 0.25000000000000 0.40977475729190 0.75000000000000 32.065 > 21 62 S 0.75000000000000 0.40977475729190 0.75000000000000 32.065 > 21 63 S 0.25000000000000 0.90977475729190 0.75000000000000 32.065 > 21 64 S 0.75000000000000 0.90977475729190 0.75000000000000 32.065 > 21 65 S 0.24148113655285 0.18398104851009 0.88058872225468 32.065 > 25 66 S 0.74148113655285 0.18398104851009 0.88058872225468 32.065 > 25 67 S 0.24148113655285 0.68398104851009 0.88058872225468 32.065 > 25 68 S 0.74148113655285 0.68398104851009 0.88058872225468 32.065 > 25 69 S 0.25851886344715 0.18398104851009 0.61941127774532 32.065 > 29 70 S 0.75851886344715 0.18398104851009 0.61941127774532 32.065 > 29 71 S 0.25851886344715 0.68398104851009 0.61941127774532 32.065 > 29 72 S 0.75851886344715 0.68398104851009 0.61941127774532 32.065 > 29 73 S 0.24148113655285 0.31601895148991 0.38058872225468 32.065 > 33 74 S 0.74148113655285 0.31601895148991 0.38058872225468 32.065 > 33 75 S 0.24148113655285 0.81601895148991 0.38058872225468 32.065 > 33 76 S 0.74148113655285 0.81601895148991 0.38058872225468 32.065 > 33 77 S 0.25851886344715 0.31601895148991 0.11941127774532 32.065 > 37 78 S 0.75851886344715 0.31601895148991 0.11941127774532 32.065 > 37 79 S 0.25851886344715 0.81601895148991 0.11941127774532 32.065 > 37 80 S 0.75851886344715 0.81601895148991 0.11941127774532 32.065 > 37 81 K 0.38859853581539 0.16628590686591 0.18195479047722 39.098 > 81 82 K 0.88859853581539 0.16628590686591 0.18195479047722 39.098 > 81 83 K 0.38859853581539 0.66628590686591 0.18195479047722 39.098 > 81 84 K 0.88859853581539 0.66628590686591 0.18195479047722 39.098 > 81 85 K 0.11140146418461 0.16628590686591 0.31804520952278 39.098 > 85 86 K 0.61140146418461 0.16628590686591 0.31804520952278 39.098 > 85 87 K 0.11140146418461 0.66628590686591 0.31804520952278 39.098 > 85 88 K 0.61140146418461 0.66628590686591 0.31804520952278 39.098 > 85 89 K 0.11140146418461 0.33371409313409 0.81804520952278 39.098 > 89 90 K 0.61140146418461 0.33371409313409 0.81804520952278 39.098 > 89 91 K 0.11140146418461 0.83371409313409 0.81804520952278 39.098 > 89 92 K 0.61140146418461 0.83371409313409 0.81804520952278 39.098 > 89 93 K 0.38859853581539 0.33371409313409 0.68195479047722 39.098 > 93 94 K 0.88859853581539 0.33371409313409 0.68195479047722 39.098 > 93 95 K 0.38859853581539 0.83371409313409 0.68195479047722 39.098 > 93 96 K 0.88859853581539 0.83371409313409 0.68195479047722 39.098 > 93 97 K 0.13859853581539 0.41628590686591 0.18195479047722 39.098 > 81 98 K 0.63859853581539 0.41628590686591 0.18195479047722 39.098 > 81 99 K 0.13859853581539 0.91628590686591 0.18195479047722 39.098 > 81 100 K 0.63859853581539 0.91628590686591 0.18195479047722 39.098 > 81 101 K 0.36140146418461 0.41628590686591 0.31804520952278 39.098 > 85 102 K 0.86140146418461 0.41628590686591 0.31804520952278 39.098 > 85 103 K 0.36140146418461 0.91628590686591 0.31804520952278 39.098 > 85 104 K 0.86140146418461 0.91628590686591 0.31804520952278 39.098 > 85 105 K 0.36140146418461 0.08371409313409 0.81804520952278 39.098 > 89 106 K 0.86140146418461 0.08371409313409 0.81804520952278 39.098 > 89 107 K 0.36140146418461 0.58371409313409 0.81804520952278 39.098 > 89 108 K 0.86140146418461 0.58371409313409 0.81804520952278 39.098 > 89 109 K 0.13859853581539 0.08371409313409 0.68195479047722 39.098 > 93 110 K 0.63859853581539 0.08371409313409 0.68195479047722 39.098 > 93 111 K 0.13859853581539 0.58371409313409 0.68195479047722 39.098 > 93 112 K 0.63859853581539 0.58371409313409 0.68195479047722 39.098 > 93 113 Sn 0.45292179097892 0.42189830037761 0.05801289818616 118.710 > 113 114 Sn 0.95292179097892 0.42189830037761 0.05801289818616 118.710 > 113 115 Sn 0.45292179097892 0.92189830037761 0.05801289818616 118.710 > 113 116 Sn 0.95292179097892 0.92189830037761 0.05801289818616 118.710 > 113 117 Sn 0.04707820902108 0.42189830037761 0.44198710181384 118.710 > 117 118 Sn 0.54707820902108 0.42189830037761 0.44198710181384 118.710 > 117 119 Sn 0.04707820902108 0.92189830037761 0.44198710181384 118.710 > 117 120 Sn 0.54707820902108 0.92189830037761 0.44198710181384 118.710 > 117 121 Sn 0.04707820902108 0.07810169962239 0.94198710181384 118.710 > 121 122 Sn 0.54707820902108 0.07810169962239 0.94198710181384 118.710 > 121 123 Sn 0.04707820902108 0.57810169962239 0.94198710181384 118.710 > 121 124 Sn 0.54707820902108 0.57810169962239 0.94198710181384 118.710 > 121 125 Sn 0.45292179097892 0.07810169962239 0.55801289818616 118.710 > 125 126 Sn 0.95292179097892 0.07810169962239 0.55801289818616 118.710 > 125 127 Sn 0.45292179097892 0.57810169962239 0.55801289818616 118.710 > 125 128 Sn 0.95292179097892 0.57810169962239 0.55801289818616 118.710 > 125 129 Sn 0.20292179097892 0.17189830037761 0.05801289818616 118.710 > 113 130 Sn 0.70292179097892 0.17189830037761 0.05801289818616 118.710 > 113 131 Sn 0.20292179097892 0.67189830037761 0.05801289818616 118.710 > 113 132 Sn 0.70292179097892 0.67189830037761 0.05801289818616 118.710 > 113 133 Sn 0.29707820902108 0.17189830037761 0.44198710181384 118.710 > 117 134 Sn 0.79707820902108 0.17189830037761 0.44198710181384 118.710 > 117 135 Sn 0.29707820902108 0.67189830037761 0.44198710181384 118.710 > 117 136 Sn 0.79707820902108 0.67189830037761 0.44198710181384 118.710 > 117 137 Sn 0.29707820902108 0.32810169962239 0.94198710181384 118.710 > 121 138 Sn 0.79707820902108 0.32810169962239 0.94198710181384 118.710 > 121 139 Sn 0.29707820902108 0.82810169962239 0.94198710181384 118.710 > 121 140 Sn 0.79707820902108 0.82810169962239 0.94198710181384 118.710 > 121 141 Sn 0.20292179097892 0.32810169962239 0.55801289818616 118.710 > 125 142 Sn 0.70292179097892 0.32810169962239 0.55801289818616 118.710 > 125 143 Sn 0.20292179097892 0.82810169962239 0.55801289818616 118.710 > 125 144 Sn 0.70292179097892 0.82810169962239 0.55801289818616 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7435487 0.0000000 -0.1771674 0.0000000 5.0073693 0.0000000 -0.1771635 0.0000000 6.5935657 -------------------------- Born effective charges -------------------------- 1 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 2 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 3 S -2.3746387 -0.5224896 -0.4973076 -0.5824101 -1.8785201 -0.3586743 -0.3784453 -0.1379210 -1.5714774 4 S -2.3746387 0.5224896 -0.4973076 0.5824101 -1.8785201 0.3586743 -0.3784453 0.1379210 -1.5714774 5 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 6 S -1.2137688 0.0000000 -0.3276367 0.0000000 -1.5526028 0.0000000 -0.1216740 0.0000000 -2.7904241 7 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 8 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 9 S -1.9707798 0.6174652 0.3362373 0.6522961 -1.8012470 0.0825296 0.2391700 -0.0916513 -1.7326812 10 S -1.9707798 -0.6174652 0.3362373 -0.6522961 -1.8012470 -0.0825296 0.2391700 0.0916513 -1.7326812 11 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 12 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 13 K 1.2084820 -0.0841330 0.0107610 -0.0557355 1.3145979 -0.1825257 0.0071448 0.0224086 1.2882457 14 K 1.2084820 0.0841330 0.0107610 0.0557355 1.3145979 0.1825257 0.0071448 -0.0224086 1.2882457 15 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 16 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 17 Sn 3.7438209 1.0981953 0.3141277 1.3202045 3.1414706 0.1717004 0.1929676 -0.6922356 3.4111249 18 Sn 3.7438209 -1.0981953 0.3141277 -1.3202045 3.1414706 -0.1717004 0.1929676 0.6922356 3.4111249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 5.726 -16.259 1.272) 17.285 0.436 ( 13.101 -15.183 6.793) 21.173 0.682 ( 21.217 -20.117 9.751) 30.821 1.415 ( 2.864 5.709 -0.632) 6.419 1.508 ( -2.724 -4.308 -5.633) 7.596 1.703 ( 3.612 -5.704 5.795) 8.897 1.917 ( -2.400 0.240 -3.072) 3.906 1.988 ( -0.583 -1.604 -1.204) 2.089 2.054 ( -0.824 -0.171 0.613) 1.041 2.150 ( -3.424 1.067 -3.833) 5.249 2.255 ( 2.741 1.600 0.488) 3.211 2.321 ( -1.460 4.318 1.957) 4.960 2.350 ( 0.817 1.718 -1.791) 2.613 2.514 ( -0.002 2.854 3.475) 4.496 2.714 ( -5.034 -0.782 1.329) 5.265 2.749 ( -3.286 1.038 -2.901) 4.505 2.836 ( -0.264 3.265 1.059) 3.443 2.984 ( -0.849 -0.185 1.263) 1.534 3.095 ( -1.494 0.205 -0.324) 1.543 3.171 ( -2.357 -2.307 -1.226) 3.519 3.316 ( 0.244 3.798 -5.676) 6.834 3.450 ( 2.698 -2.559 -0.446) 3.746 3.535 ( 3.286 -2.299 1.537) 4.294 3.816 ( -3.380 -0.659 -2.121) 4.044 3.950 ( -1.933 0.369 1.275) 2.345 4.182 ( 4.068 1.285 3.138) 5.296 4.409 ( 15.801 13.271 7.452) 21.939 4.642 ( -1.857 1.717 -3.666) 4.454 4.769 ( -1.273 1.501 1.207) 2.309 4.814 ( 0.401 -2.195 -0.924) 2.415 5.042 ( -1.022 0.245 -0.335) 1.103 5.192 ( -0.888 -0.106 4.676) 4.761 5.197 ( 1.364 0.739 1.407) 2.094 5.503 ( -4.002 -1.451 -0.208) 4.262 5.949 ( 5.858 -1.843 1.769) 6.391 6.093 ( 4.969 -1.469 0.935) 5.266 6.500 ( 6.654 -3.346 -0.129) 7.449 7.093 ( -8.192 -10.892 -6.811) 15.236 7.821 ( -0.064 -0.175 -1.069) 1.085 7.873 ( -3.053 -1.755 -0.388) 3.543 8.152 ( 0.578 0.850 -0.214) 1.050 8.345 ( -1.966 1.306 0.033) 2.361 8.413 ( -12.031 -10.433 -7.043) 17.412 8.732 ( -0.762 0.374 0.186) 0.869 8.950 ( 0.571 -0.122 -1.845) 1.936 9.234 ( -3.631 2.948 22.573) 23.052 9.363 ( -0.682 0.671 1.134) 1.484 9.539 ( -1.308 0.026 0.695) 1.482 9.892 ( 0.588 -0.184 0.288) 0.680 9.905 ( 3.687 6.888 -2.748) 8.282 10.022 ( 10.097 4.620 -1.303) 11.180 10.169 ( 1.351 -0.478 -1.929) 2.403 10.270 ( 1.093 0.314 -1.249) 1.689 10.335 ( 5.734 2.925 -5.511) 8.474 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 4.950 -13.058 1.423) 14.037 0.801 ( 10.721 -10.693 0.921) 15.170 1.132 ( 8.797 -10.214 15.824) 20.787 1.434 ( 8.862 0.642 -0.949) 8.935 1.551 ( 1.895 -5.010 -6.814) 8.667 1.779 ( -4.519 -0.270 0.671) 4.577 1.911 ( -1.390 -2.683 -2.414) 3.868 1.990 ( 0.245 -0.340 -3.190) 3.217 2.026 ( -4.048 2.606 4.190) 6.382 2.111 ( -0.803 -0.222 -1.933) 2.105 2.212 ( 0.393 5.213 0.490) 5.251 2.307 ( 7.079 -2.345 0.509) 7.474 2.340 ( 1.322 -0.521 -2.474) 2.853 2.459 ( -1.274 4.681 4.317) 6.494 2.654 ( -2.039 3.580 -5.404) 6.795 2.695 ( -4.581 -2.314 3.035) 5.963 2.770 ( -1.259 4.091 3.400) 5.466 3.002 ( 0.998 -0.973 1.872) 2.334 3.057 ( -3.703 2.230 0.929) 4.421 3.160 ( -0.511 1.570 -2.181) 2.736 3.240 ( -1.863 0.364 -3.302) 3.809 3.546 ( 4.936 -3.963 -3.457) 7.212 3.607 ( 2.744 -1.800 -0.132) 3.284 3.788 ( -4.274 -2.347 0.743) 4.932 3.893 ( -4.660 2.559 -0.467) 5.337 4.224 ( 3.833 1.444 2.869) 5.000 4.400 ( 7.471 7.027 3.647) 10.886 4.573 ( -1.558 1.903 -3.143) 3.991 4.713 ( -2.630 2.735 1.554) 4.100 4.860 ( 0.711 -2.499 -1.257) 2.886 5.028 ( -1.436 -0.569 -0.233) 1.562 5.180 ( 1.798 1.994 -0.011) 2.685 5.236 ( 0.276 -2.026 2.761) 3.435 5.478 ( -1.651 0.243 -0.939) 1.915 6.041 ( 3.864 -1.538 1.750) 4.512 6.195 ( -0.421 -6.242 1.301) 6.390 6.679 ( 10.924 -5.872 -0.506) 12.412 7.160 ( -0.253 -5.196 -2.690) 5.856 7.812 ( -0.804 -0.189 -2.568) 2.698 7.871 ( -1.399 -0.953 1.841) 2.501 8.140 ( 0.094 0.975 -0.485) 1.093 8.289 ( -2.160 2.887 1.378) 3.860 8.408 ( -5.083 -3.879 -5.732) 8.587 8.713 ( -0.982 0.678 0.108) 1.198 8.952 ( 0.163 -0.124 -0.918) 0.941 9.230 ( -0.795 1.360 8.478) 8.623 9.341 ( -1.361 1.120 1.379) 2.238 9.525 ( -0.573 0.510 0.095) 0.773 9.818 ( -2.169 4.034 -0.401) 4.598 9.909 ( 0.507 -0.713 0.760) 1.159 10.047 ( 4.732 2.349 -0.662) 5.324 10.191 ( 1.358 -0.926 -1.520) 2.239 10.274 ( 1.103 0.275 -1.192) 1.647 10.333 ( 2.574 1.481 -1.802) 3.473 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.535 -6.763 0.747) 7.668 1.025 ( 6.529 -6.105 -0.313) 8.944 1.412 ( 6.639 -6.968 15.777) 18.481 1.525 ( 7.065 -0.567 -2.475) 7.507 1.642 ( -0.184 -4.722 -5.909) 7.566 1.724 ( -3.684 -2.487 -1.964) 4.860 1.861 ( -2.935 0.645 -2.862) 4.150 1.926 ( -4.558 4.449 4.719) 7.928 2.007 ( 1.215 0.081 -1.225) 1.727 2.043 ( -4.162 2.985 -0.158) 5.124 2.203 ( 3.077 -0.425 -1.328) 3.378 2.298 ( -0.528 2.718 -3.373) 4.364 2.358 ( -2.527 5.169 3.808) 6.900 2.481 ( 2.630 -1.038 -6.402) 6.998 2.614 ( 5.496 0.035 -1.163) 5.617 2.660 ( -3.343 2.729 1.035) 4.438 2.837 ( 5.608 -8.267 10.736) 14.665 2.926 ( -1.685 7.122 -1.450) 7.461 3.039 ( 0.850 -0.643 1.263) 1.653 3.148 ( -0.937 -3.145 -1.841) 3.763 3.229 ( -2.088 -1.147 1.005) 2.586 3.583 ( -3.677 0.164 -6.375) 7.361 3.661 ( 1.608 -0.607 2.088) 2.705 3.773 ( -2.820 3.533 -7.344) 8.624 3.833 ( 1.976 -3.148 8.010) 8.830 4.208 ( -2.778 2.233 -0.711) 3.634 4.387 ( 3.927 2.537 -0.106) 4.677 4.546 ( 0.853 1.161 1.037) 1.775 4.654 ( -1.352 1.768 1.503) 2.685 4.883 ( -0.215 -0.443 -1.933) 1.994 5.035 ( -0.662 -2.026 0.121) 2.135 5.162 ( 1.501 2.659 -0.725) 3.138 5.285 ( 0.787 -2.002 1.974) 2.920 5.452 ( -1.172 0.484 -0.828) 1.514 6.099 ( 1.633 -1.140 0.941) 2.203 6.267 ( -1.428 -3.573 1.027) 3.982 6.887 ( 8.643 -4.822 -0.456) 9.908 7.217 ( 0.673 -2.006 -0.960) 2.323 7.804 ( 0.151 -0.981 -2.670) 2.849 7.875 ( -1.589 -0.257 2.173) 2.704 8.119 ( -0.595 1.107 0.397) 1.318 8.231 ( -1.115 2.007 1.022) 2.513 8.383 ( -2.833 -1.049 -3.966) 4.986 8.693 ( -0.659 0.636 0.024) 0.916 8.951 ( 0.043 -0.039 -0.494) 0.497 9.235 ( 0.500 0.488 3.293) 3.366 9.310 ( -1.660 0.963 1.022) 2.174 9.513 ( -0.148 0.335 -0.299) 0.472 9.738 ( -2.188 2.307 0.012) 3.179 9.928 ( 0.318 -0.556 0.815) 1.037 10.050 ( 1.985 1.514 -0.749) 2.607 10.212 ( 0.567 -0.692 -0.503) 1.027 10.277 ( 0.491 0.141 -0.519) 0.728 10.335 ( 1.490 0.550 -0.859) 1.806 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -0.000 -0.000) 0.000 1.127 ( 0.000 -0.000 -0.000) 0.000 1.558 ( 0.000 0.000 -0.000) 0.000 1.559 ( -0.000 -0.000 0.000) 0.000 1.675 ( -0.000 0.000 0.000) 0.000 1.698 ( 0.000 -0.000 -0.000) 0.000 1.848 ( 0.000 -0.000 -0.000) 0.000 1.906 ( 0.000 -0.000 -0.000) 0.000 1.957 ( -0.000 0.000 -0.000) 0.000 2.013 ( -0.000 -0.000 0.000) 0.000 2.218 ( -0.000 -0.000 0.000) 0.000 2.266 ( 0.000 -0.000 0.000) 0.000 2.285 ( 0.000 -0.000 -0.000) 0.000 2.487 ( 0.000 -0.000 0.000) 0.000 2.606 ( 0.000 -0.000 0.000) 0.000 2.654 ( 0.000 -0.000 0.000) 0.000 2.831 ( 0.000 -0.000 -0.000) 0.000 3.016 ( -0.000 -0.000 -0.000) 0.000 3.047 ( 0.000 -0.000 0.000) 0.000 3.223 ( 0.000 -0.000 -0.000) 0.000 3.230 ( -0.000 0.000 0.000) 0.000 3.465 ( 0.000 -0.000 0.000) 0.000 3.673 ( 0.000 -0.000 0.000) 0.000 3.721 ( 0.000 -0.000 -0.000) 0.000 3.913 ( -0.000 -0.000 -0.000) 0.000 4.147 ( 0.000 -0.000 0.000) 0.000 4.397 ( 0.000 -0.000 0.000) 0.000 4.541 ( 0.000 -0.000 0.000) 0.000 4.640 ( 0.000 -0.000 0.000) 0.000 4.874 ( -0.000 -0.000 0.000) 0.000 5.060 ( 0.000 -0.000 0.000) 0.000 5.138 ( 0.000 -0.000 -0.000) 0.000 5.314 ( 0.000 -0.000 0.000) 0.000 5.437 ( 0.000 -0.000 -0.000) 0.000 6.119 ( 0.000 -0.000 -0.000) 0.000 6.289 ( 0.000 -0.000 0.000) 0.000 6.981 ( 0.000 -0.000 0.000) 0.000 7.232 ( 0.000 -0.000 -0.000) 0.000 7.820 ( -0.000 -0.000 0.000) 0.000 7.861 ( 0.000 -0.000 -0.000) 0.000 8.105 ( 0.000 -0.000 -0.000) 0.000 8.212 ( 0.000 -0.000 0.000) 0.000 8.364 ( 0.000 -0.000 0.000) 0.000 8.683 ( 0.000 -0.000 -0.000) 0.000 8.951 ( -0.000 -0.000 -0.000) 0.000 9.243 ( 0.000 -0.000 -0.000) 0.000 9.291 ( 0.000 -0.000 0.000) 0.000 9.509 ( 0.000 -0.000 -0.000) 0.000 9.706 ( 0.000 -0.000 0.000) 0.000 9.936 ( 0.000 -0.000 0.000) 0.000 10.046 ( 0.000 -0.000 0.000) 0.000 10.220 ( 0.000 -0.000 -0.000) 0.000 10.277 ( -0.000 -0.000 0.000) 0.000 10.338 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 21.460 -0.000 0.332) 21.462 0.531 ( 20.171 -0.000 1.064) 20.199 0.859 ( 27.565 -0.000 21.141) 34.739 1.430 ( 3.170 -0.000 -2.950) 4.330 1.607 ( 1.948 -0.000 4.380) 4.794 1.615 ( 5.055 -0.000 -2.118) 5.481 1.904 ( -0.853 0.000 -2.234) 2.391 1.972 ( 2.330 -0.000 -1.578) 2.814 2.021 ( -2.498 0.000 -1.682) 3.011 2.094 ( -4.494 0.000 -3.366) 5.615 2.275 ( -2.817 0.000 0.421) 2.848 2.331 ( 0.900 -0.000 -3.037) 3.167 2.352 ( -2.952 0.000 2.139) 3.645 2.553 ( -2.094 0.000 5.331) 5.727 2.629 ( -7.359 0.000 0.532) 7.378 2.715 ( -2.601 0.000 -1.951) 3.252 2.870 ( 0.437 -0.000 0.818) 0.928 2.972 ( -2.133 0.000 4.583) 5.055 3.064 ( -6.436 0.000 -3.727) 7.437 3.109 ( 0.815 -0.000 2.207) 2.353 3.332 ( 1.639 -0.000 -8.959) 9.107 3.456 ( 1.979 -0.000 -1.060) 2.245 3.592 ( 5.830 -0.000 2.891) 6.507 3.733 ( -6.419 0.000 -4.682) 7.945 3.941 ( -2.263 0.000 2.479) 3.357 4.260 ( 4.596 -0.000 3.455) 5.749 4.629 ( 0.277 -0.000 -1.978) 1.997 4.685 ( 0.896 -0.000 -6.120) 6.185 4.734 ( -4.031 0.000 -2.797) 4.906 4.836 ( 2.922 -0.000 2.442) 3.808 4.982 ( -4.258 0.000 -0.848) 4.342 5.198 ( -2.313 0.000 7.132) 7.498 5.243 ( -0.196 0.000 5.993) 5.996 5.459 ( -0.443 0.000 2.956) 2.989 6.035 ( 11.050 -0.000 0.455) 11.059 6.343 ( 7.874 -0.000 -1.814) 8.080 6.522 ( 8.624 -0.000 -4.853) 9.896 6.794 ( 4.480 -0.000 -1.864) 4.852 7.824 ( 0.414 -0.000 -0.487) 0.639 7.867 ( 2.900 -0.000 0.362) 2.923 8.178 ( 0.913 -0.000 -1.602) 1.844 8.215 ( -0.936 0.000 0.183) 0.954 8.347 ( -2.763 0.000 2.231) 3.552 8.723 ( -1.421 0.000 0.349) 1.464 8.949 ( 0.425 -0.000 -1.538) 1.596 9.272 ( -5.602 0.000 17.503) 18.378 9.346 ( -1.955 0.000 -0.465) 2.009 9.533 ( 0.137 -0.000 -1.410) 1.416 9.896 ( 0.804 -0.000 0.297) 0.857 9.913 ( -4.048 0.000 -3.510) 5.358 10.098 ( -1.068 0.000 -1.775) 2.072 10.216 ( 1.664 -0.000 2.963) 3.398 10.252 ( -1.832 0.000 1.231) 2.207 10.439 ( 4.567 -0.000 -13.034) 13.811 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 18.726 -0.709 1.714) 18.817 0.812 ( 14.845 -6.068 -0.863) 16.060 1.215 ( 14.479 -2.488 17.349) 22.733 1.511 ( 6.586 -3.492 -3.568) 8.264 1.563 ( 4.583 3.388 -0.948) 5.777 1.733 ( 0.440 -0.368 -0.207) 0.610 1.864 ( -0.994 0.646 -3.211) 3.423 1.977 ( -1.276 1.109 -3.647) 4.020 2.017 ( -2.622 -0.740 2.444) 3.660 2.077 ( 0.961 -3.499 -1.338) 3.867 2.225 ( -4.878 0.032 0.337) 4.889 2.319 ( -0.445 0.692 -4.197) 4.277 2.353 ( 4.766 -2.570 2.757) 6.076 2.516 ( -3.140 3.388 4.930) 6.756 2.579 ( -6.763 -3.664 3.397) 8.409 2.663 ( -2.317 1.633 -2.394) 3.711 2.841 ( -0.055 4.063 -0.388) 4.082 2.987 ( -6.260 -1.437 0.489) 6.441 2.992 ( -0.901 -2.292 4.185) 4.856 3.144 ( 0.061 -1.113 3.252) 3.438 3.269 ( 0.009 5.366 -7.953) 9.594 3.491 ( -0.115 -3.829 -5.916) 7.048 3.642 ( 2.462 0.071 -3.109) 3.967 3.701 ( -0.945 -3.389 2.672) 4.418 3.900 ( -2.889 2.621 2.999) 4.921 4.292 ( 1.463 1.784 0.042) 2.307 4.540 ( -3.292 4.623 -4.853) 7.468 4.650 ( 0.373 2.849 -1.298) 3.153 4.703 ( 1.812 1.406 -2.062) 3.085 4.862 ( 1.937 0.711 2.671) 3.375 4.971 ( -2.089 -2.410 -0.021) 3.189 5.202 ( -0.747 -0.189 3.535) 3.618 5.258 ( 1.479 0.664 4.047) 4.360 5.457 ( -1.977 -0.093 0.976) 2.207 6.173 ( 10.716 -0.219 1.247) 10.791 6.261 ( 11.587 11.883 -0.940) 16.624 6.712 ( 11.336 -5.764 -2.432) 12.948 6.986 ( 0.696 -12.651 -2.329) 12.882 7.820 ( 0.911 0.901 -1.478) 1.956 7.886 ( 2.390 1.490 1.293) 3.100 8.155 ( 0.290 1.453 -1.312) 1.979 8.273 ( -1.549 -5.304 -2.055) 5.895 8.303 ( -3.468 1.702 2.812) 4.779 8.706 ( -1.545 0.102 0.296) 1.576 8.949 ( 0.303 -0.074 -1.163) 1.204 9.262 ( -2.201 1.011 8.050) 8.407 9.322 ( -3.248 -0.368 0.880) 3.385 9.527 ( 0.263 0.364 -1.868) 1.921 9.829 ( -4.334 2.335 -2.792) 5.660 9.912 ( 1.148 -0.348 0.578) 1.331 10.083 ( -0.650 -0.131 -1.029) 1.224 10.217 ( 0.835 1.196 0.645) 1.595 10.255 ( -1.269 -0.894 2.387) 2.847 10.412 ( 3.574 3.241 -5.466) 7.291 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 14.085 -1.293 3.098) 14.480 1.033 ( 11.687 -4.159 -2.595) 12.673 1.422 ( 4.254 -3.565 3.922) 6.797 1.573 ( 1.859 -1.116 3.579) 4.185 1.607 ( 0.771 -2.954 -3.176) 4.406 1.672 ( 2.819 5.134 -2.687) 6.444 1.852 ( 2.324 -0.363 -0.870) 2.508 1.946 ( -1.362 0.624 -0.639) 1.629 1.988 ( -2.733 1.933 1.914) 3.856 2.080 ( -1.457 1.646 2.757) 3.527 2.190 ( -2.021 -1.999 -0.203) 2.850 2.294 ( -0.966 0.290 -3.302) 3.452 2.410 ( -4.793 5.072 2.414) 7.385 2.483 ( 2.146 -0.622 -4.838) 5.329 2.587 ( -4.906 -1.872 -0.206) 5.255 2.696 ( 3.909 -0.139 -0.159) 3.915 2.815 ( 5.122 -6.398 8.814) 12.036 2.937 ( -6.450 0.386 3.256) 7.235 3.048 ( 0.952 -0.714 2.531) 2.797 3.114 ( -2.601 3.045 -2.848) 4.914 3.183 ( -0.991 -0.784 0.961) 1.587 3.506 ( -2.591 -2.608 -5.977) 7.017 3.676 ( 2.790 -1.303 -2.178) 3.771 3.729 ( -3.847 0.436 -2.533) 4.626 3.880 ( 3.383 -0.477 6.429) 7.281 4.224 ( -2.577 3.917 -3.551) 5.881 4.446 ( -1.710 2.010 -2.612) 3.713 4.590 ( -1.447 1.636 -3.275) 3.937 4.695 ( 3.287 3.438 -0.350) 4.770 4.870 ( -0.457 0.382 1.499) 1.612 5.001 ( 1.047 -1.597 0.988) 2.150 5.202 ( -0.040 0.926 0.602) 1.105 5.290 ( 1.714 -0.347 3.893) 4.268 5.432 ( -2.472 -0.246 -0.078) 2.485 6.238 ( 11.946 8.172 0.052) 14.474 6.284 ( 8.066 0.266 0.640) 8.095 6.907 ( 8.466 -4.258 -1.556) 9.603 7.136 ( -0.706 -6.740 -1.118) 6.869 7.818 ( 2.547 0.180 -2.422) 3.519 7.891 ( 1.707 1.858 2.488) 3.544 8.129 ( -0.389 1.188 -1.518) 1.966 8.230 ( -4.614 1.065 1.404) 4.939 8.329 ( 0.510 -2.286 -0.234) 2.354 8.688 ( -1.315 0.151 0.280) 1.353 8.949 ( 0.242 -0.087 -0.909) 0.945 9.253 ( -0.720 0.547 1.710) 1.934 9.291 ( -3.309 -0.167 2.083) 3.914 9.517 ( 0.518 0.424 -1.848) 1.966 9.742 ( -3.081 1.777 -1.316) 3.792 9.933 ( 1.102 -0.158 0.620) 1.274 10.071 ( -0.875 0.399 -0.866) 1.294 10.213 ( -0.453 -0.400 -0.316) 0.682 10.260 ( -0.964 -0.067 2.852) 3.012 10.386 ( 2.510 2.543 -2.488) 4.354 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.033 3.982 2.473) 6.877 1.189 ( 10.054 2.229 -1.167) 10.364 1.430 ( -6.649 -4.591 -8.852) 11.984 1.551 ( -1.724 2.069 -2.811) 3.893 1.691 ( 2.355 -5.470 4.867) 7.691 1.730 ( 10.048 -0.604 -2.733) 10.430 1.876 ( -2.616 3.209 -1.130) 4.291 1.908 ( 0.091 3.275 2.677) 4.231 1.972 ( 4.430 -2.746 4.215) 6.703 2.058 ( -0.291 1.873 4.861) 5.217 2.219 ( -0.853 -0.298 -0.015) 0.904 2.229 ( -4.151 1.486 0.969) 4.514 2.307 ( -1.491 2.319 -2.466) 3.699 2.472 ( 0.736 -1.052 -2.715) 3.004 2.580 ( -3.370 -3.078 -0.142) 4.566 2.646 ( -1.658 2.247 -2.309) 3.624 2.817 ( -6.457 3.584 3.506) 8.175 2.967 ( -5.380 0.859 -4.644) 7.159 3.057 ( 0.531 -1.817 7.785) 8.012 3.172 ( -0.705 -4.599 1.555) 4.906 3.232 ( 3.455 -2.925 2.097) 4.989 3.495 ( 4.462 -0.619 0.040) 4.505 3.653 ( -2.019 0.416 -1.611) 2.616 3.724 ( 1.963 -1.165 -1.957) 3.006 3.909 ( -2.037 1.605 -3.008) 3.971 4.185 ( 4.236 0.044 1.810) 4.607 4.380 ( -5.503 0.787 -2.418) 6.062 4.561 ( 2.436 1.034 -3.111) 4.085 4.664 ( 1.021 2.725 -1.866) 3.457 4.856 ( -2.167 -0.457 1.337) 2.587 5.046 ( 1.674 -1.171 1.571) 2.577 5.171 ( -0.495 2.626 0.024) 2.672 5.317 ( -0.034 0.081 1.718) 1.720 5.424 ( -0.704 -1.211 0.721) 1.575 6.241 ( 10.186 7.549 -0.233) 12.680 6.361 ( 8.541 2.092 -0.344) 8.800 6.984 ( -0.440 0.877 -0.606) 1.153 7.189 ( -2.175 -3.077 -0.178) 3.772 7.855 ( 1.055 -1.108 -0.906) 1.778 7.887 ( 5.308 2.973 1.279) 6.217 8.103 ( -0.182 0.440 -2.397) 2.443 8.188 ( -3.006 -0.799 0.902) 3.239 8.373 ( 2.130 -1.146 2.639) 3.580 8.677 ( -0.756 -0.247 0.324) 0.859 8.950 ( 0.177 -0.082 -0.523) 0.558 9.231 ( -2.054 0.061 -1.761) 2.706 9.282 ( -0.650 -0.590 1.454) 1.698 9.512 ( 0.537 0.297 -1.060) 1.225 9.703 ( -0.618 -0.124 -0.692) 0.936 9.943 ( 0.731 0.382 0.001) 0.825 10.044 ( -1.563 0.819 -0.350) 1.799 10.216 ( -1.321 -1.336 -0.608) 1.975 10.256 ( -1.315 0.444 3.254) 3.538 10.367 ( 1.437 1.875 -1.183) 2.642 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.251 5.573 2.867) 6.390 1.119 ( 2.178 10.979 -1.836) 11.343 1.362 ( -6.003 1.718 -12.975) 14.399 1.534 ( 3.324 3.863 1.999) 5.474 1.731 ( -2.911 5.690 0.330) 6.400 1.819 ( 4.477 -1.652 4.420) 6.505 1.874 ( 4.585 -0.617 0.544) 4.658 1.892 ( 5.087 -4.109 -4.055) 7.695 2.004 ( 0.888 2.446 -1.743) 3.132 2.090 ( 2.218 0.406 6.950) 7.307 2.165 ( -4.928 0.372 1.691) 5.224 2.233 ( -4.288 -4.875 6.085) 8.898 2.303 ( 3.236 -1.935 -6.433) 7.457 2.489 ( -4.283 2.322 3.165) 5.810 2.545 ( -6.482 0.161 0.435) 6.498 2.635 ( 3.038 -4.175 -2.397) 5.693 2.784 ( -5.801 -5.641 0.904) 8.142 2.850 ( -3.536 1.770 -5.857) 7.067 3.045 ( -1.181 2.522 1.633) 3.228 3.188 ( -2.943 0.779 1.692) 3.483 3.247 ( 2.064 -0.278 -0.895) 2.267 3.642 ( 2.040 0.317 8.652) 8.895 3.656 ( 1.497 0.269 -3.435) 3.757 3.762 ( 5.765 -3.491 0.675) 6.773 3.847 ( -0.072 0.104 -5.282) 5.283 4.233 ( -0.279 1.958 2.277) 3.016 4.296 ( -4.506 -1.316 -3.348) 5.766 4.581 ( 4.652 1.664 0.182) 4.944 4.636 ( 1.070 -0.530 -4.365) 4.525 4.857 ( -3.057 -2.379 1.517) 4.160 5.073 ( 1.200 0.891 0.391) 1.544 5.126 ( -1.442 0.846 1.629) 2.334 5.300 ( -0.920 1.221 -0.440) 1.591 5.451 ( 0.540 -1.283 1.305) 1.908 6.217 ( 8.270 8.492 -0.842) 11.883 6.400 ( 8.328 5.039 -1.261) 9.816 6.871 ( -8.622 5.513 0.172) 10.235 7.196 ( -2.843 -1.444 0.331) 3.205 7.849 ( 0.284 1.359 1.959) 2.401 7.925 ( 5.863 2.377 -1.559) 6.516 8.104 ( 0.933 -1.155 -2.607) 3.000 8.194 ( -0.937 -2.533 1.020) 2.887 8.435 ( 3.105 -1.015 4.858) 5.854 8.685 ( 0.174 -0.916 0.423) 1.024 8.952 ( 0.083 -0.092 -0.018) 0.126 9.202 ( -1.682 -0.521 -3.689) 4.088 9.296 ( -0.171 -1.177 0.010) 1.190 9.512 ( 0.324 -0.028 -0.398) 0.514 9.727 ( 1.916 -2.009 -0.674) 2.857 9.936 ( 0.286 0.932 -0.716) 1.210 10.011 ( -2.854 0.246 0.473) 2.904 10.219 ( -1.489 -1.465 -1.290) 2.456 10.240 ( -2.094 0.796 4.166) 4.730 10.349 ( 0.750 1.494 -0.613) 1.781 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -4.564 8.849 1.808) 10.120 0.957 ( 5.761 14.912 1.762) 16.083 1.162 ( -4.645 8.701 -13.528) 16.742 1.420 ( -3.309 9.016 1.722) 9.757 1.660 ( 2.095 3.988 6.619) 8.007 1.838 ( 1.412 4.212 -2.385) 5.043 1.951 ( -0.565 -1.094 1.230) 1.740 2.006 ( 6.227 -2.086 -0.804) 6.616 2.027 ( 4.132 -1.226 -2.288) 4.879 2.096 ( -4.766 -3.162 0.183) 5.723 2.123 ( -0.141 -0.293 2.935) 2.953 2.250 ( -10.324 3.547 0.901) 10.953 2.324 ( -2.071 -1.731 4.806) 5.513 2.358 ( 0.360 -6.241 -6.884) 9.298 2.613 ( 0.885 -5.258 4.869) 7.221 2.722 ( 1.778 -3.287 -0.434) 3.762 2.744 ( 1.538 0.759 -6.223) 6.455 2.946 ( -0.535 -10.538 1.320) 10.634 2.999 ( -1.488 0.954 -1.186) 2.129 3.153 ( -1.784 0.471 1.538) 2.402 3.275 ( 1.604 0.003 0.771) 1.780 3.568 ( -2.637 4.581 1.018) 5.383 3.663 ( 2.140 3.293 2.103) 4.455 3.830 ( 1.142 -0.607 -4.128) 4.325 3.920 ( 5.458 -1.903 2.371) 6.248 4.157 ( -6.217 -0.055 -1.108) 6.315 4.273 ( -1.745 0.556 -2.190) 2.855 4.602 ( 2.130 0.075 1.192) 2.442 4.697 ( 4.866 -2.793 -1.377) 5.777 4.851 ( -4.268 -1.196 0.066) 4.433 5.056 ( 1.314 2.048 -0.154) 2.438 5.126 ( -1.818 -1.825 1.034) 2.776 5.265 ( -0.248 1.896 -0.431) 1.960 5.482 ( 0.621 -1.292 1.040) 1.771 6.144 ( 4.518 9.648 -1.127) 10.713 6.362 ( 4.918 9.030 -1.252) 10.358 6.664 ( -8.579 6.325 0.189) 10.660 7.182 ( -1.931 -0.308 0.772) 2.102 7.840 ( 0.297 1.004 1.116) 1.530 7.930 ( 3.539 2.625 -0.762) 4.472 8.124 ( 0.168 -0.984 -0.611) 1.170 8.252 ( 0.989 -3.736 0.020) 3.864 8.508 ( 3.662 -0.972 5.016) 6.286 8.708 ( 0.604 -1.043 0.370) 1.261 8.954 ( -0.024 -0.002 0.332) 0.333 9.181 ( -1.038 -0.837 -5.569) 5.727 9.314 ( -0.617 -1.670 -0.126) 1.784 9.519 ( 0.349 -0.636 -0.487) 0.874 9.783 ( 1.221 -1.996 -0.536) 2.401 9.919 ( 0.182 1.108 -0.493) 1.227 9.975 ( -3.554 -0.295 0.818) 3.659 10.213 ( 0.120 1.744 0.328) 1.779 10.223 ( -3.280 -1.966 2.218) 4.421 10.334 ( 0.467 0.974 -0.361) 1.139 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 16.662 0.000) 16.662 0.752 ( 0.000 20.013 0.000) 20.013 0.852 ( 0.000 20.145 0.000) 20.145 1.322 ( -0.000 -1.236 -0.000) 1.236 1.666 ( 0.000 3.181 0.000) 3.181 1.690 ( 0.000 6.451 0.000) 6.451 1.958 ( 0.000 1.228 0.000) 1.228 2.019 ( -0.000 -2.094 -0.000) 2.094 2.043 ( 0.000 4.616 0.000) 4.616 2.130 ( -0.000 -4.513 -0.000) 4.513 2.206 ( -0.000 -2.150 -0.000) 2.150 2.207 ( -0.000 -7.835 -0.000) 7.835 2.339 ( -0.000 -0.261 -0.000) 0.261 2.453 ( -0.000 -5.270 -0.000) 5.270 2.712 ( -0.000 -5.278 -0.000) 5.278 2.749 ( 0.000 0.284 0.000) 0.284 2.782 ( -0.000 -3.472 -0.000) 3.472 2.981 ( -0.000 -0.425 -0.000) 0.425 3.081 ( -0.000 -3.612 -0.000) 3.612 3.163 ( -0.000 -3.675 -0.000) 3.675 3.286 ( -0.000 -0.328 -0.000) 0.328 3.492 ( 0.000 3.507 0.000) 3.507 3.595 ( 0.000 6.023 0.000) 6.023 3.839 ( -0.000 -0.050 -0.000) 0.050 3.963 ( 0.000 0.207 0.000) 0.207 4.126 ( -0.000 -1.292 -0.000) 1.292 4.242 ( 0.000 0.133 0.000) 0.133 4.633 ( -0.000 -1.625 -0.000) 1.625 4.781 ( -0.000 -2.059 -0.000) 2.059 4.810 ( 0.000 1.076 0.000) 1.076 5.040 ( 0.000 0.661 0.000) 0.661 5.154 ( -0.000 -2.632 -0.000) 2.632 5.227 ( 0.000 2.691 0.000) 2.691 5.514 ( -0.000 -1.716 -0.000) 1.716 6.010 ( 0.000 8.582 0.000) 8.582 6.219 ( 0.000 11.105 0.000) 11.105 6.523 ( 0.000 4.855 0.000) 4.855 7.178 ( -0.000 -0.131 -0.000) 0.131 7.830 ( 0.000 0.647 0.000) 0.647 7.920 ( 0.000 1.266 0.000) 1.266 8.137 ( -0.000 -0.793 -0.000) 0.793 8.315 ( -0.000 -3.124 -0.000) 3.124 8.576 ( -0.000 -1.898 -0.000) 1.898 8.728 ( -0.000 -0.748 -0.000) 0.748 8.953 ( 0.000 0.185 0.000) 0.185 9.168 ( -0.000 -0.315 -0.000) 0.315 9.336 ( -0.000 -1.735 -0.000) 1.735 9.536 ( -0.000 -1.209 -0.000) 1.209 9.792 ( 0.000 0.270 0.000) 0.270 9.903 ( 0.000 0.955 0.000) 0.955 9.964 ( -0.000 -0.858 -0.000) 0.858 10.187 ( 0.000 1.521 0.000) 1.521 10.236 ( -0.000 -1.662 -0.000) 1.662 10.323 ( 0.000 0.672 0.000) 0.672 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 10.861 -0.000 -0.621) 10.879 0.951 ( 16.800 -0.000 -0.830) 16.821 1.399 ( 8.396 -0.000 8.721) 12.106 1.499 ( -2.778 0.000 -5.603) 6.254 1.631 ( 6.512 -0.000 1.747) 6.743 1.817 ( 6.922 -0.000 0.907) 6.982 1.924 ( -4.115 0.000 -2.761) 4.956 1.965 ( 6.464 -0.000 2.805) 7.046 1.978 ( 3.406 -0.000 -1.726) 3.819 2.036 ( 1.102 -0.000 -1.653) 1.987 2.149 ( -7.383 0.000 2.016) 7.653 2.320 ( 0.886 -0.000 -5.586) 5.656 2.367 ( 2.457 -0.000 1.257) 2.760 2.480 ( -4.163 0.000 6.271) 7.527 2.528 ( -4.736 0.000 7.315) 8.714 2.644 ( -1.950 0.000 -0.759) 2.092 2.838 ( -4.756 0.000 -8.900) 10.091 2.936 ( -0.997 0.000 5.890) 5.974 2.975 ( -1.064 0.000 7.226) 7.304 3.168 ( 1.550 -0.000 3.323) 3.667 3.312 ( 2.213 -0.000 -6.795) 7.146 3.389 ( -5.091 0.000 -9.458) 10.741 3.607 ( -1.661 0.000 0.254) 1.680 3.733 ( 4.744 -0.000 1.752) 5.057 3.906 ( -2.647 0.000 4.259) 5.015 4.301 ( -1.365 0.000 -4.964) 5.148 4.447 ( -11.019 0.000 -5.181) 12.176 4.685 ( 2.988 -0.000 -6.021) 6.722 4.712 ( -0.818 0.000 -1.923) 2.090 4.892 ( 0.019 -0.000 2.083) 2.083 4.983 ( 4.986 -0.000 4.831) 6.942 5.206 ( -0.532 0.000 3.742) 3.780 5.290 ( 1.214 -0.000 3.606) 3.805 5.430 ( -3.328 0.000 0.450) 3.359 6.301 ( 10.942 -0.000 0.667) 10.962 6.603 ( 14.704 -0.000 -0.381) 14.709 6.716 ( 10.869 -0.000 -5.018) 11.971 6.903 ( 5.117 -0.000 0.364) 5.130 7.829 ( 0.215 -0.000 -0.309) 0.376 7.938 ( 3.121 -0.000 -1.879) 3.643 8.191 ( -0.880 0.000 -0.649) 1.094 8.199 ( 0.100 -0.000 1.028) 1.033 8.287 ( -2.723 0.000 2.967) 4.027 8.688 ( -1.603 0.000 0.143) 1.610 8.948 ( 0.359 -0.000 -1.112) 1.168 9.273 ( -2.235 0.000 7.091) 7.434 9.277 ( -3.396 0.000 -1.364) 3.660 9.526 ( 0.752 -0.000 -3.123) 3.212 9.778 ( -5.333 0.000 -3.039) 6.138 9.929 ( 1.842 -0.000 0.541) 1.920 10.064 ( -0.989 0.000 -1.209) 1.562 10.208 ( -3.079 0.000 2.148) 3.754 10.265 ( 1.090 -0.000 1.911) 2.200 10.447 ( 1.384 -0.000 -3.415) 3.684 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.245 -4.498 -3.479) 9.210 1.130 ( 11.107 -1.470 -0.344) 11.209 1.412 ( -3.382 1.163 -4.905) 6.071 1.515 ( 2.195 -3.540 1.862) 4.563 1.682 ( 3.128 4.010 -0.606) 5.122 1.825 ( 4.337 4.916 -0.089) 6.556 1.883 ( 2.775 -0.615 1.204) 3.087 1.939 ( -2.082 -0.220 2.564) 3.311 2.014 ( 1.134 0.878 -2.074) 2.521 2.091 ( -3.256 -1.723 -2.196) 4.289 2.135 ( 5.883 2.933 6.584) 9.304 2.294 ( 0.554 1.198 -1.667) 2.126 2.387 ( -4.720 -3.039 -4.075) 6.937 2.453 ( -5.383 2.945 6.151) 8.688 2.555 ( -0.326 1.095 -0.013) 1.143 2.712 ( 4.859 -3.647 0.845) 6.134 2.764 ( 0.102 -6.579 2.693) 7.109 2.926 ( -1.134 2.635 5.240) 5.974 3.028 ( 0.137 -3.177 5.933) 6.732 3.157 ( -3.359 6.236 -1.784) 7.304 3.205 ( 0.252 2.772 -2.663) 3.852 3.409 ( 1.039 -5.336 -5.078) 7.439 3.631 ( 0.092 -3.360 -2.394) 4.127 3.744 ( -0.457 3.919 1.618) 4.264 3.913 ( 1.022 -1.474 4.740) 5.068 4.214 ( -6.386 1.083 -5.192) 8.302 4.340 ( -7.572 -2.457 -7.705) 11.079 4.635 ( 2.110 3.901 -1.986) 4.859 4.732 ( 0.376 -0.629 -3.989) 4.056 4.879 ( -1.966 1.049 2.111) 3.069 5.058 ( 6.126 1.401 4.204) 7.561 5.212 ( -0.080 0.340 1.677) 1.713 5.320 ( 1.306 -0.133 3.384) 3.630 5.390 ( -3.548 -0.464 -0.238) 3.586 6.407 ( 9.530 1.377 0.350) 9.635 6.588 ( 15.207 12.916 -0.128) 19.952 6.931 ( 8.828 -4.334 -2.853) 10.240 7.020 ( 2.116 -7.008 0.078) 7.321 7.827 ( 0.326 0.035 -0.682) 0.757 7.955 ( 3.184 0.610 -2.216) 3.927 8.149 ( -0.156 2.264 -0.313) 2.291 8.183 ( -5.843 0.175 2.712) 6.444 8.318 ( 2.561 -2.027 2.179) 3.926 8.673 ( -1.318 -0.098 0.100) 1.325 8.948 ( 0.324 -0.025 -0.956) 1.010 9.231 ( -3.474 -0.044 -1.870) 3.945 9.274 ( -1.380 -0.030 4.202) 4.423 9.523 ( 1.159 0.204 -3.319) 3.521 9.707 ( -4.720 0.113 -1.434) 4.934 9.953 ( 2.081 0.199 0.385) 2.126 10.053 ( -1.024 -0.298 -1.060) 1.504 10.181 ( -3.389 -0.361 2.150) 4.030 10.279 ( 0.800 0.463 1.449) 1.719 10.435 ( 1.030 1.700 -1.629) 2.570 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 5.141 3.397 0.556) 6.187 1.173 ( -4.613 -8.417 -6.544) 11.617 1.391 ( 3.316 3.330 -2.542) 5.342 1.560 ( -0.497 -0.039 -0.363) 0.617 1.644 ( 4.013 -3.717 -3.554) 6.523 1.858 ( 6.719 3.170 -0.329) 7.436 1.892 ( -0.258 2.406 -0.721) 2.525 1.965 ( -2.080 -2.491 6.180) 6.980 2.001 ( 3.414 0.437 3.411) 4.846 2.102 ( 4.718 1.472 -3.948) 6.325 2.185 ( 0.783 -2.159 3.161) 3.907 2.258 ( -1.922 5.734 5.723) 8.326 2.303 ( -3.010 1.735 -2.324) 4.180 2.427 ( -3.881 -4.365 -1.218) 5.966 2.499 ( -1.942 1.935 0.189) 2.748 2.652 ( -1.957 2.228 -5.463) 6.216 2.846 ( -5.014 5.235 6.361) 9.644 2.941 ( -6.724 7.522 -3.927) 10.827 3.050 ( 4.194 -5.891 7.176) 10.188 3.105 ( -0.295 -3.718 4.237) 5.645 3.227 ( 1.658 -2.116 -0.146) 2.692 3.532 ( 9.510 -5.020 0.560) 10.769 3.638 ( -1.588 0.143 -1.996) 2.554 3.705 ( 0.448 -1.159 -0.415) 1.311 3.909 ( -2.306 3.394 -3.453) 5.363 4.190 ( -4.182 -5.588 1.231) 7.088 4.269 ( -3.830 -1.086 -6.484) 7.609 4.613 ( 3.546 1.994 -1.821) 4.457 4.704 ( 0.334 2.363 -3.905) 4.577 4.835 ( -3.923 1.147 2.736) 4.918 5.099 ( 4.046 2.187 2.878) 5.425 5.196 ( -0.558 1.729 -0.483) 1.880 5.324 ( -1.184 0.599 0.989) 1.655 5.394 ( -0.131 -2.135 1.784) 2.785 6.487 ( 9.635 2.092 -0.448) 9.870 6.562 ( 13.526 11.262 0.165) 17.601 6.998 ( 0.004 1.648 -1.430) 2.182 7.111 ( -1.255 -3.530 0.414) 3.770 7.844 ( 0.832 -1.285 -0.379) 1.577 7.987 ( 5.341 0.155 -2.309) 5.821 8.108 ( 0.120 2.089 -3.006) 3.663 8.137 ( -4.561 -0.928 4.472) 6.455 8.388 ( 2.470 -1.720 3.191) 4.386 8.665 ( -0.617 -0.325 0.328) 0.770 8.949 ( 0.206 -0.069 -0.643) 0.679 9.189 ( -3.071 -0.358 -2.325) 3.869 9.276 ( -0.451 -0.190 1.652) 1.723 9.522 ( 1.112 0.396 -1.913) 2.248 9.670 ( -2.492 -1.487 -0.616) 2.967 9.967 ( 1.741 0.906 -0.250) 1.978 10.035 ( -1.439 0.576 -0.608) 1.665 10.162 ( -3.507 -1.212 2.117) 4.272 10.279 ( 0.537 0.988 1.003) 1.507 10.410 ( 0.802 2.098 -0.715) 2.357 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -2.114 5.145 0.399) 5.577 1.251 ( -2.353 -1.948 -6.130) 6.849 1.278 ( -0.498 5.663 -0.196) 5.688 1.640 ( 3.414 -3.920 0.857) 5.268 1.777 ( 7.875 -1.019 -4.069) 8.922 1.817 ( -0.117 2.267 0.559) 2.338 1.899 ( 4.851 0.749 -1.554) 5.148 1.952 ( -4.124 -0.729 3.894) 5.719 2.064 ( 3.392 3.314 -2.073) 5.176 2.116 ( 3.482 -0.333 5.772) 6.749 2.131 ( -4.290 1.648 0.971) 4.697 2.198 ( -1.067 3.871 1.246) 4.204 2.301 ( 1.302 -0.862 -1.082) 1.900 2.475 ( 0.144 -3.116 -0.199) 3.125 2.499 ( -5.036 -0.004 4.403) 6.689 2.539 ( -3.819 -0.738 -5.302) 6.576 2.717 ( -2.542 3.518 2.039) 4.796 2.798 ( -4.623 0.704 -2.552) 5.327 3.102 ( 0.918 2.744 2.308) 3.701 3.152 ( -1.939 -1.579 1.845) 3.107 3.246 ( -0.008 -0.842 -1.847) 2.030 3.657 ( 2.177 -2.285 1.032) 3.321 3.714 ( 0.682 1.946 5.785) 6.142 3.787 ( 1.742 -4.244 1.449) 4.811 3.810 ( 7.773 -0.668 -6.547) 10.185 4.133 ( -11.689 -2.616 -5.885) 13.346 4.311 ( 3.093 -0.539 2.952) 4.310 4.625 ( 0.789 -0.081 -3.470) 3.559 4.669 ( 4.821 2.265 -2.397) 5.842 4.786 ( -5.316 -0.623 3.131) 6.201 5.107 ( 1.623 1.658 1.354) 2.687 5.150 ( -0.861 2.348 -0.226) 2.511 5.302 ( -0.894 0.732 -0.019) 1.155 5.436 ( 0.365 -1.775 1.143) 2.142 6.505 ( 10.977 12.073 -0.370) 16.322 6.555 ( 6.427 3.110 -0.668) 7.171 6.876 ( -7.203 6.476 0.101) 9.687 7.135 ( -2.007 -2.248 0.184) 3.019 7.863 ( 0.276 -0.105 0.363) 0.468 8.035 ( 5.038 2.917 -1.311) 5.967 8.086 ( 1.579 -1.222 -4.278) 4.721 8.137 ( -3.188 -2.778 4.053) 5.858 8.451 ( 1.445 -2.014 2.926) 3.835 8.676 ( 0.476 -0.842 0.650) 1.165 8.950 ( 0.062 -0.141 -0.200) 0.253 9.159 ( -1.822 -0.612 -2.371) 3.052 9.281 ( -0.244 -0.435 0.320) 0.593 9.519 ( 0.371 0.527 -0.421) 0.770 9.697 ( 0.262 -3.338 -0.496) 3.385 9.962 ( 1.202 1.503 -0.669) 2.038 9.998 ( -1.977 1.342 0.059) 2.390 10.158 ( -2.576 -1.820 1.454) 3.473 10.267 ( 0.276 1.445 0.569) 1.577 10.382 ( 0.414 1.970 -0.260) 2.030 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 6.701 0.000) 6.701 1.180 ( 0.000 6.543 0.000) 6.543 1.203 ( 0.000 5.001 0.000) 5.001 1.626 ( 0.000 14.314 0.000) 14.314 1.714 ( -0.000 -0.812 -0.000) 0.812 1.906 ( -0.000 -4.034 -0.000) 4.034 1.915 ( 0.000 2.028 0.000) 2.028 1.985 ( -0.000 -4.828 -0.000) 4.828 2.049 ( 0.000 1.743 0.000) 1.743 2.066 ( 0.000 2.196 0.000) 2.196 2.130 ( 0.000 1.695 0.000) 1.695 2.216 ( -0.000 -7.209 -0.000) 7.209 2.273 ( 0.000 6.634 0.000) 6.634 2.328 ( 0.000 3.224 0.000) 3.224 2.545 ( -0.000 -4.984 -0.000) 4.984 2.680 ( -0.000 -8.781 -0.000) 8.781 2.698 ( -0.000 -1.279 -0.000) 1.279 2.794 ( -0.000 -4.934 -0.000) 4.934 3.037 ( 0.000 4.765 0.000) 4.765 3.150 ( 0.000 0.070 0.000) 0.070 3.270 ( -0.000 -1.608 -0.000) 1.608 3.637 ( 0.000 5.325 0.000) 5.325 3.722 ( 0.000 0.294 0.000) 0.294 3.782 ( -0.000 -2.990 -0.000) 2.990 3.968 ( -0.000 -0.025 -0.000) 0.025 4.064 ( -0.000 -3.669 -0.000) 3.669 4.311 ( 0.000 3.012 0.000) 3.012 4.613 ( 0.000 0.269 0.000) 0.269 4.710 ( -0.000 -1.104 -0.000) 1.104 4.774 ( -0.000 -2.644 -0.000) 2.644 5.102 ( 0.000 0.097 0.000) 0.097 5.106 ( 0.000 2.532 0.000) 2.532 5.283 ( 0.000 0.930 0.000) 0.930 5.465 ( -0.000 -1.389 -0.000) 1.389 6.369 ( 0.000 12.888 0.000) 12.888 6.522 ( 0.000 6.441 0.000) 6.441 6.711 ( 0.000 6.679 0.000) 6.679 7.152 ( -0.000 -1.578 -0.000) 1.578 7.858 ( 0.000 0.823 0.000) 0.823 8.001 ( 0.000 3.564 0.000) 3.564 8.110 ( -0.000 -0.836 -0.000) 0.836 8.191 ( -0.000 -4.345 -0.000) 4.345 8.503 ( -0.000 -2.466 -0.000) 2.466 8.697 ( -0.000 -1.022 -0.000) 1.022 8.953 ( -0.000 -0.159 -0.000) 0.159 9.153 ( -0.000 -0.586 -0.000) 0.586 9.289 ( -0.000 -0.908 -0.000) 0.908 9.515 ( 0.000 0.022 0.000) 0.022 9.756 ( -0.000 -3.009 -0.000) 3.009 9.945 ( 0.000 1.611 0.000) 1.611 9.960 ( 0.000 1.008 0.000) 1.008 10.175 ( -0.000 -1.987 -0.000) 1.987 10.244 ( 0.000 1.765 0.000) 1.765 10.356 ( 0.000 1.507 0.000) 1.507 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -1.024 0.000 -10.215) 10.266 1.242 ( 8.956 -0.000 0.280) 8.961 1.382 ( -1.225 0.000 3.936) 4.123 1.526 ( 4.124 -0.000 -3.429) 5.364 1.724 ( -3.327 0.000 -3.274) 4.668 1.837 ( -6.940 0.000 0.450) 6.954 1.923 ( 7.277 -0.000 1.014) 7.348 1.936 ( 1.785 -0.000 3.849) 4.243 2.002 ( -1.757 0.000 -1.180) 2.116 2.052 ( 1.839 -0.000 1.670) 2.485 2.254 ( -6.489 0.000 -2.126) 6.829 2.286 ( 2.151 -0.000 -6.429) 6.779 2.347 ( 1.644 -0.000 2.034) 2.616 2.497 ( -1.054 0.000 10.027) 10.082 2.569 ( 0.117 -0.000 -0.154) 0.194 2.685 ( 1.049 -0.000 -3.572) 3.723 2.771 ( 11.758 -0.000 9.229) 14.947 2.974 ( 0.063 -0.000 1.804) 1.806 3.018 ( 0.333 -0.000 5.322) 5.332 3.191 ( -0.913 0.000 2.163) 2.348 3.192 ( -5.752 0.000 -5.900) 8.240 3.369 ( 6.300 -0.000 -3.584) 7.248 3.604 ( 1.019 -0.000 -1.406) 1.736 3.814 ( -0.425 0.000 1.654) 1.708 3.887 ( -1.922 0.000 4.568) 4.956 4.058 ( -13.168 0.000 -3.169) 13.544 4.243 ( -2.500 0.000 -10.236) 10.537 4.683 ( -0.668 0.000 1.274) 1.438 4.722 ( 4.077 -0.000 -6.557) 7.721 4.868 ( -3.088 0.000 2.310) 3.857 5.156 ( 5.292 -0.000 3.315) 6.244 5.223 ( 0.224 -0.000 1.499) 1.515 5.342 ( -3.351 0.000 -1.057) 3.514 5.342 ( 0.997 -0.000 2.825) 2.996 6.512 ( 6.693 -0.000 0.540) 6.715 6.909 ( 7.312 -0.000 -0.751) 7.351 6.929 ( 12.262 -0.000 0.689) 12.281 7.004 ( 3.774 -0.000 -2.217) 4.377 7.826 ( -0.441 0.000 0.078) 0.448 7.963 ( 1.383 -0.000 -5.202) 5.382 8.126 ( -6.085 0.000 5.084) 7.929 8.171 ( -0.550 0.000 -0.195) 0.584 8.347 ( 3.813 -0.000 2.485) 4.551 8.660 ( -0.793 0.000 -0.088) 0.798 8.948 ( 0.259 -0.000 -0.738) 0.782 9.182 ( -3.432 0.000 -2.143) 4.046 9.275 ( -0.851 0.000 2.895) 3.018 9.526 ( 1.801 -0.000 -4.259) 4.624 9.645 ( -5.092 0.000 0.326) 5.103 9.985 ( 2.709 -0.000 0.179) 2.715 10.038 ( -0.553 0.000 -0.887) 1.045 10.147 ( -3.494 0.000 2.041) 4.046 10.294 ( 0.575 -0.000 0.921) 1.086 10.451 ( 0.337 -0.000 -0.756) 0.827 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -4.030 -6.545 -7.271) 10.580 1.288 ( 6.088 3.677 1.278) 7.227 1.420 ( -0.911 -0.506 2.901) 3.083 1.563 ( 0.730 2.339 -3.403) 4.193 1.631 ( 2.560 -1.619 -2.940) 4.221 1.819 ( -7.914 -5.650 1.846) 9.897 1.921 ( -0.538 3.483 0.212) 3.530 1.997 ( 3.772 0.470 2.387) 4.489 2.033 ( 5.033 -2.297 -0.534) 5.558 2.118 ( 4.225 -1.323 -0.623) 4.471 2.177 ( -3.775 -0.585 0.917) 3.929 2.281 ( -1.363 0.244 -2.262) 2.652 2.328 ( -4.291 -0.639 0.290) 4.348 2.426 ( 0.349 6.592 1.885) 6.865 2.541 ( -0.394 3.067 0.139) 3.095 2.695 ( 6.261 4.990 1.405) 8.129 2.899 ( -3.016 4.976 0.862) 5.882 3.013 ( -1.366 3.785 3.291) 5.199 3.023 ( 1.452 -0.013 -1.037) 1.784 3.077 ( 1.278 -3.153 4.005) 5.255 3.204 ( -0.268 -1.517 0.186) 1.552 3.525 ( 8.583 -8.065 -0.800) 11.805 3.612 ( 0.496 -0.234 -1.734) 1.819 3.723 ( -2.123 1.330 0.292) 2.522 3.931 ( -0.526 1.750 -1.800) 2.565 3.957 ( -11.357 -5.677 0.811) 12.723 4.215 ( 0.137 -3.348 -4.569) 5.666 4.666 ( 0.319 1.910 0.437) 1.986 4.736 ( 3.295 0.998 -5.153) 6.197 4.825 ( -3.714 1.800 3.021) 5.115 5.190 ( 2.474 2.378 2.538) 4.268 5.218 ( 0.146 1.514 -0.701) 1.675 5.310 ( -1.568 -0.211 -0.302) 1.611 5.373 ( 0.472 -1.590 1.617) 2.316 6.576 ( 4.269 -0.359 0.133) 4.287 6.879 ( 9.050 9.459 0.613) 13.105 7.020 ( 0.571 1.361 -2.765) 3.134 7.071 ( 1.343 -1.561 1.304) 2.437 7.830 ( 0.253 -1.136 0.036) 1.164 7.979 ( 1.199 -2.798 -4.254) 5.231 8.089 ( -3.616 -0.373 3.800) 5.259 8.150 ( 0.156 1.834 -0.028) 1.841 8.400 ( 2.026 -0.954 1.906) 2.941 8.656 ( -0.150 -0.358 0.085) 0.397 8.948 ( 0.123 -0.004 -0.391) 0.410 9.144 ( -2.172 -0.277 -1.594) 2.708 9.276 ( -0.313 -0.015 1.149) 1.190 9.535 ( 1.861 0.160 -2.831) 3.391 9.608 ( -3.443 -1.539 1.002) 3.902 10.006 ( 2.174 1.051 -0.370) 2.443 10.030 ( -0.478 0.333 -0.338) 0.673 10.120 ( -2.742 -0.491 1.505) 3.166 10.298 ( 0.297 0.473 0.449) 0.717 10.441 ( 0.206 1.246 -0.279) 1.294 ======================= Grid point 30 (20/93) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.000 -6.061 -0.000) 6.061 1.274 ( 0.000 5.291 0.000) 5.291 1.342 ( 0.000 4.217 0.000) 4.217 1.568 ( -0.000 -4.233 -0.000) 4.233 1.759 ( -0.000 -6.769 -0.000) 6.769 1.842 ( -0.000 -3.580 -0.000) 3.580 1.865 ( 0.000 2.047 0.000) 2.047 1.994 ( 0.000 3.852 0.000) 3.852 2.098 ( -0.000 -0.039 -0.000) 0.039 2.120 ( 0.000 0.511 0.000) 0.511 2.214 ( -0.000 -0.901 -0.000) 0.901 2.248 ( 0.000 4.371 0.000) 4.371 2.287 ( -0.000 -1.726 -0.000) 1.726 2.394 ( -0.000 -1.872 -0.000) 1.872 2.483 ( 0.000 2.845 0.000) 2.845 2.627 ( 0.000 9.383 0.000) 9.383 2.787 ( 0.000 3.073 0.000) 3.073 2.814 ( 0.000 9.672 0.000) 9.672 3.102 ( -0.000 -3.013 -0.000) 3.013 3.144 ( -0.000 -0.772 -0.000) 0.772 3.223 ( -0.000 -1.072 -0.000) 1.072 3.626 ( -0.000 -3.404 -0.000) 3.404 3.681 ( -0.000 -3.380 -0.000) 3.380 3.835 ( -0.000 -0.894 -0.000) 0.894 3.860 ( -0.000 -1.732 -0.000) 1.732 3.917 ( -0.000 -3.733 -0.000) 3.733 4.293 ( -0.000 -4.591 -0.000) 4.591 4.635 ( 0.000 1.798 0.000) 1.798 4.742 ( 0.000 0.386 0.000) 0.386 4.755 ( 0.000 3.303 0.000) 3.303 5.164 ( 0.000 3.206 0.000) 3.206 5.180 ( 0.000 2.351 0.000) 2.351 5.304 ( 0.000 0.125 0.000) 0.125 5.410 ( -0.000 -2.063 -0.000) 2.063 6.611 ( -0.000 -0.116 -0.000) 0.116 6.782 ( 0.000 11.830 0.000) 11.830 6.930 ( 0.000 6.297 0.000) 6.297 7.094 ( -0.000 -1.540 -0.000) 1.540 7.856 ( -0.000 -1.211 -0.000) 1.211 8.044 ( -0.000 -4.579 -0.000) 4.579 8.084 ( -0.000 -0.698 -0.000) 0.698 8.115 ( 0.000 2.855 0.000) 2.855 8.433 ( -0.000 -1.565 -0.000) 1.565 8.668 ( -0.000 -0.816 -0.000) 0.816 8.949 ( -0.000 -0.063 -0.000) 0.063 9.134 ( -0.000 -0.492 -0.000) 0.492 9.277 ( -0.000 -0.088 -0.000) 0.088 9.532 ( 0.000 0.776 0.000) 0.776 9.635 ( -0.000 -3.637 -0.000) 3.637 9.999 ( 0.000 1.568 0.000) 1.568 10.007 ( 0.000 1.441 0.000) 1.441 10.121 ( -0.000 -1.258 -0.000) 1.258 10.289 ( 0.000 0.981 0.000) 0.981 10.416 ( 0.000 1.924 0.000) 1.924 ======================= Grid point 38 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 -0.000 0.000) 0.000 1.348 ( 0.000 -0.000 0.000) 0.000 1.435 ( 0.000 -0.000 0.000) 0.000 1.622 ( 0.000 -0.000 -0.000) 0.000 1.635 ( 0.000 -0.000 0.000) 0.000 1.659 ( -0.000 0.000 0.000) 0.000 1.969 ( 0.000 -0.000 -0.000) 0.000 1.989 ( 0.000 -0.000 0.000) 0.000 2.095 ( -0.000 0.000 -0.000) 0.000 2.100 ( 0.000 -0.000 0.000) 0.000 2.148 ( 0.000 -0.000 0.000) 0.000 2.272 ( -0.000 0.000 0.000) 0.000 2.300 ( -0.000 0.000 0.000) 0.000 2.457 ( 0.000 -0.000 -0.000) 0.000 2.566 ( 0.000 -0.000 0.000) 0.000 2.833 ( -0.000 0.000 -0.000) 0.000 2.946 ( 0.000 -0.000 0.000) 0.000 2.988 ( 0.000 -0.000 0.000) 0.000 3.050 ( 0.000 -0.000 0.000) 0.000 3.090 ( 0.000 -0.000 0.000) 0.000 3.186 ( 0.000 -0.000 0.000) 0.000 3.548 ( -0.000 0.000 0.000) 0.000 3.610 ( 0.000 -0.000 0.000) 0.000 3.614 ( -0.000 0.000 0.000) 0.000 3.882 ( 0.000 -0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.162 ( 0.000 -0.000 0.000) 0.000 4.685 ( 0.000 -0.000 0.000) 0.000 4.754 ( 0.000 -0.000 -0.000) 0.000 4.827 ( 0.000 -0.000 0.000) 0.000 5.231 ( 0.000 -0.000 0.000) 0.000 5.232 ( 0.000 -0.000 0.000) 0.000 5.295 ( 0.000 -0.000 -0.000) 0.000 5.366 ( 0.000 -0.000 0.000) 0.000 6.592 ( 0.000 -0.000 0.000) 0.000 7.005 ( 0.000 -0.000 -0.000) 0.000 7.029 ( 0.000 -0.000 0.000) 0.000 7.088 ( 0.000 -0.000 0.000) 0.000 7.819 ( 0.000 -0.000 0.000) 0.000 7.947 ( 0.000 -0.000 -0.000) 0.000 8.072 ( 0.000 -0.000 0.000) 0.000 8.164 ( 0.000 -0.000 0.000) 0.000 8.411 ( 0.000 -0.000 0.000) 0.000 8.651 ( 0.000 -0.000 0.000) 0.000 8.948 ( 0.000 -0.000 -0.000) 0.000 9.126 ( 0.000 -0.000 0.000) 0.000 9.276 ( 0.000 -0.000 0.000) 0.000 9.547 ( 0.000 -0.000 -0.000) 0.000 9.570 ( -0.000 0.000 0.000) 0.000 10.028 ( 0.000 -0.000 0.000) 0.000 10.033 ( 0.000 -0.000 0.000) 0.000 10.099 ( 0.000 -0.000 0.000) 0.000 10.304 ( 0.000 -0.000 0.000) 0.000 10.452 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -5.420 0.000 20.659) 21.358 0.398 ( -2.674 0.000 21.270) 21.437 0.785 ( 4.425 -0.000 41.314) 41.550 1.348 ( 0.234 -0.000 -9.650) 9.653 1.400 ( 3.850 -0.000 -12.177) 12.771 1.581 ( 3.329 -0.000 6.282) 7.110 1.894 ( -0.705 0.000 -3.317) 3.391 1.959 ( -1.294 0.000 -0.396) 1.353 2.051 ( -1.299 0.000 -0.658) 1.456 2.217 ( -5.130 0.000 -0.156) 5.133 2.264 ( -0.147 0.000 -1.315) 1.323 2.376 ( -3.933 0.000 3.565) 5.308 2.409 ( 0.076 -0.000 2.443) 2.444 2.603 ( 4.796 -0.000 5.564) 7.346 2.650 ( 2.224 -0.000 -9.318) 9.579 2.789 ( -1.784 0.000 5.150) 5.450 2.837 ( 2.031 -0.000 -2.723) 3.397 2.946 ( 3.744 -0.000 -3.523) 5.141 3.119 ( 3.486 -0.000 -12.014) 12.510 3.126 ( -2.684 0.000 -4.307) 5.075 3.198 ( -5.858 0.000 1.536) 6.056 3.420 ( -0.740 0.000 -0.053) 0.742 3.629 ( -0.380 0.000 9.655) 9.662 3.837 ( -4.364 0.000 -0.847) 4.445 4.016 ( -1.527 0.000 5.798) 5.996 4.163 ( 4.752 -0.000 -0.521) 4.780 4.284 ( 17.043 -0.000 -2.164) 17.180 4.544 ( 0.223 -0.000 -7.840) 7.844 4.767 ( 1.706 -0.000 -0.315) 1.735 4.801 ( -1.817 0.000 -0.881) 2.020 5.073 ( -2.673 0.000 1.837) 3.244 5.181 ( 0.741 -0.000 -2.230) 2.350 5.484 ( 2.666 -0.000 3.950) 4.766 5.698 ( -9.059 0.000 -1.771) 9.230 5.930 ( -1.088 0.000 4.773) 4.895 6.035 ( 20.303 -0.000 3.178) 20.550 6.256 ( -2.153 0.000 -1.120) 2.427 6.387 ( 2.263 -0.000 -4.953) 5.446 7.801 ( -0.251 0.000 -1.551) 1.571 7.815 ( 0.970 -0.000 -1.348) 1.661 7.976 ( 6.880 -0.000 3.041) 7.522 8.143 ( -0.332 0.000 -2.752) 2.772 8.426 ( -0.396 0.000 5.251) 5.266 8.712 ( 0.187 -0.000 -2.911) 2.917 9.002 ( -1.495 0.000 2.782) 3.158 9.296 ( 1.580 -0.000 -6.130) 6.330 9.610 ( -2.984 0.000 5.812) 6.533 9.709 ( 27.346 -0.000 2.496) 27.460 9.877 ( -1.271 0.000 -1.020) 1.629 9.965 ( -3.706 0.000 -1.977) 4.200 10.089 ( 0.528 -0.000 -2.236) 2.298 10.126 ( -22.486 0.000 -1.379) 22.528 10.210 ( 1.756 -0.000 2.756) 3.268 10.270 ( -1.882 0.000 0.032) 1.883 ======================= Grid point 68 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 3.795 -8.090 15.271) 17.694 0.617 ( 3.745 -12.651 13.445) 18.837 1.140 ( 13.582 -8.712 31.386) 35.291 1.348 ( 5.602 5.124 -9.905) 12.480 1.355 ( 1.278 -3.889 -8.719) 9.632 1.742 ( 4.475 -8.123 1.543) 9.402 1.846 ( -2.791 1.945 -3.686) 5.016 1.954 ( -0.084 -0.544 -1.541) 1.636 2.037 ( -1.555 -1.512 -1.440) 2.603 2.154 ( -4.838 0.113 1.814) 5.168 2.243 ( 0.966 2.646 -3.198) 4.262 2.325 ( -2.266 2.458 1.277) 3.579 2.371 ( -0.601 4.666 2.906) 5.530 2.610 ( 0.738 1.557 -0.883) 1.936 2.644 ( -1.089 2.235 0.104) 2.489 2.777 ( -5.665 -1.725 4.412) 7.385 2.813 ( 1.141 2.796 -3.475) 4.604 2.974 ( 2.894 -0.357 -2.476) 3.825 3.069 ( -1.662 -0.355 -5.319) 5.584 3.133 ( 1.819 -2.579 -10.646) 11.104 3.204 ( -1.259 -2.025 5.188) 5.710 3.423 ( 0.185 -0.393 -2.612) 2.648 3.622 ( -0.119 3.657 7.082) 7.971 3.803 ( -3.982 -2.482 0.852) 4.769 3.999 ( -3.160 1.077 3.690) 4.976 4.211 ( 4.989 0.782 -0.823) 5.116 4.408 ( 10.015 4.074 -4.424) 11.682 4.517 ( 1.158 0.840 -7.750) 7.881 4.762 ( -3.164 0.117 -1.351) 3.443 4.805 ( 2.514 -1.060 -0.206) 2.736 5.050 ( -3.205 -0.794 1.714) 3.720 5.183 ( 1.539 0.714 -1.180) 2.067 5.390 ( -1.193 9.276 9.024) 12.996 5.511 ( -2.494 2.965 0.736) 3.944 6.024 ( 3.401 -2.843 5.844) 7.335 6.128 ( 0.916 -4.239 2.708) 5.113 6.450 ( 6.915 -4.638 -5.075) 9.751 6.738 ( 11.563 -21.844 -19.938) 31.755 7.790 ( -0.638 0.152 -1.678) 1.801 7.867 ( 0.107 -3.244 -1.320) 3.504 8.089 ( 5.788 -1.079 -4.307) 7.295 8.146 ( 3.503 -2.432 -5.390) 6.873 8.422 ( -1.821 1.618 5.621) 6.126 8.694 ( -0.183 0.601 -3.363) 3.421 8.997 ( -1.664 -0.191 3.681) 4.044 9.282 ( 0.873 0.751 -5.851) 5.964 9.560 ( -4.656 3.474 5.095) 7.727 9.711 ( -15.528 6.142 10.210) 19.572 9.876 ( 2.161 3.281 -0.814) 4.012 9.902 ( 0.648 -0.525 0.790) 1.149 9.986 ( 11.975 4.050 -1.796) 12.769 10.094 ( 0.958 -0.430 -2.333) 2.558 10.255 ( -0.936 -0.766 0.174) 1.221 10.314 ( 0.861 -3.250 0.474) 3.395 ======================= Grid point 69 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 5.716 -7.599 9.908) 13.733 0.867 ( 1.991 -10.043 5.535) 11.639 1.331 ( 5.512 -0.050 -9.728) 11.181 1.460 ( 3.680 -7.768 -0.747) 8.628 1.473 ( 10.854 -2.970 14.980) 18.736 1.746 ( -5.426 2.166 -2.456) 6.337 1.839 ( -2.554 -2.310 -4.737) 5.857 1.966 ( -1.880 -1.068 -0.091) 2.164 2.083 ( 1.139 -0.921 -1.337) 1.984 2.125 ( 0.037 0.145 7.612) 7.613 2.183 ( -0.166 3.331 -4.012) 5.217 2.281 ( 0.500 1.090 -1.321) 1.784 2.315 ( 3.122 2.357 0.169) 3.915 2.550 ( -1.009 3.876 -2.719) 4.840 2.595 ( -2.068 2.459 6.469) 7.222 2.726 ( -2.051 2.830 -3.124) 4.688 2.825 ( 0.838 -3.992 4.171) 5.834 3.003 ( 2.295 0.190 -1.977) 3.035 3.057 ( -1.637 -1.955 -2.266) 3.411 3.136 ( -0.389 1.376 -0.064) 1.431 3.243 ( -1.086 -1.862 3.223) 3.877 3.414 ( 1.494 -1.233 -8.535) 8.752 3.612 ( 0.535 -0.213 1.869) 1.956 3.802 ( -2.411 0.456 0.917) 2.620 3.947 ( -2.799 1.183 4.444) 5.383 4.230 ( -0.426 0.977 -3.102) 3.280 4.368 ( 1.782 3.343 -4.826) 6.135 4.529 ( 5.724 1.495 -1.944) 6.227 4.709 ( -4.721 0.176 -1.152) 4.863 4.843 ( 1.968 -0.321 -1.035) 2.246 5.038 ( -2.581 -1.196 1.594) 3.261 5.183 ( 2.021 1.780 0.310) 2.711 5.326 ( 0.632 2.456 5.432) 5.994 5.458 ( -0.034 2.193 -1.164) 2.483 6.091 ( 0.980 -1.333 3.175) 3.580 6.239 ( -2.896 -7.150 3.073) 8.303 6.643 ( 11.741 -7.152 -3.066) 14.085 7.014 ( 6.723 -9.413 -10.939) 15.920 7.770 ( -1.239 0.012 -1.626) 2.044 7.902 ( -0.234 -1.517 1.035) 1.851 8.091 ( 0.609 0.783 -3.541) 3.678 8.240 ( 4.938 -3.546 -7.307) 9.506 8.374 ( -3.397 3.038 5.880) 7.439 8.670 ( 0.359 0.762 -3.727) 3.821 8.996 ( -1.735 -0.300 4.297) 4.644 9.253 ( 0.237 1.096 -4.384) 4.525 9.459 ( -4.499 3.928 6.885) 9.115 9.558 ( -6.839 2.074 2.639) 7.618 9.808 ( -3.326 2.219 -0.720) 4.063 9.923 ( 0.296 -0.678 0.630) 0.972 10.037 ( 6.689 3.410 -0.201) 7.511 10.129 ( 4.707 -0.769 -2.953) 5.610 10.258 ( -0.231 -0.393 0.123) 0.472 10.354 ( 0.276 -0.952 2.088) 2.311 ======================= Grid point 70 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 4.907 -2.376 6.425) 8.426 1.047 ( 1.596 -8.155 1.048) 8.376 1.384 ( 3.753 -4.346 -10.469) 11.940 1.577 ( -1.606 -1.443 -3.762) 4.338 1.596 ( -0.698 -0.774 4.302) 4.427 1.711 ( 4.239 -1.620 2.766) 5.314 1.828 ( 0.088 -2.448 -1.280) 2.764 1.925 ( -3.028 1.975 -2.734) 4.533 2.018 ( -4.465 3.023 0.562) 5.421 2.115 ( 0.465 3.460 3.832) 5.184 2.178 ( 3.748 0.736 -0.796) 3.902 2.270 ( 1.142 0.742 1.068) 1.731 2.335 ( -0.548 -0.030 -0.295) 0.622 2.497 ( -1.838 1.572 5.396) 5.913 2.583 ( 2.531 0.697 -1.032) 2.821 2.655 ( -1.502 0.889 -3.434) 3.852 2.919 ( 2.255 2.469 0.159) 3.348 2.983 ( -0.987 0.532 3.953) 4.109 3.116 ( 2.910 -4.649 6.399) 8.428 3.123 ( 1.671 -0.167 0.254) 1.698 3.253 ( 0.001 -0.703 1.211) 1.400 3.445 ( -0.594 -3.182 -8.553) 9.145 3.597 ( -2.566 2.057 -6.646) 7.415 3.741 ( -0.451 0.702 3.985) 4.072 3.974 ( 1.802 -0.440 6.049) 6.327 4.124 ( -7.060 1.660 -8.298) 11.020 4.370 ( 4.006 0.811 -0.833) 4.171 4.544 ( 0.534 1.001 -1.497) 1.878 4.654 ( -3.541 0.107 -1.090) 3.706 4.857 ( 1.583 -0.130 -0.755) 1.759 5.049 ( -0.636 -1.655 1.297) 2.197 5.171 ( 1.402 2.184 1.561) 3.029 5.334 ( 1.101 1.031 2.795) 3.176 5.429 ( 0.189 0.723 -1.618) 1.782 6.123 ( -0.043 -0.838 1.385) 1.620 6.294 ( -3.276 -3.411 1.490) 4.959 6.869 ( 9.049 -5.808 -1.236) 10.823 7.146 ( 3.864 -3.653 -5.685) 7.785 7.762 ( 0.242 -0.810 -1.583) 1.795 7.914 ( -1.130 -0.003 1.753) 2.085 8.068 ( -0.263 0.446 -4.298) 4.329 8.289 ( -2.121 0.015 0.313) 2.144 8.328 ( 2.150 0.504 2.397) 3.259 8.652 ( 0.916 0.701 -3.662) 3.840 9.000 ( -1.710 -0.420 4.904) 5.210 9.228 ( 0.199 0.541 -3.080) 3.133 9.382 ( -4.180 2.889 5.166) 7.246 9.487 ( -1.872 0.351 -3.070) 3.612 9.743 ( -2.400 1.476 0.586) 2.878 9.931 ( 0.062 -0.005 -0.618) 0.621 10.047 ( 2.317 1.295 0.497) 2.700 10.179 ( 3.309 -0.511 -1.995) 3.898 10.260 ( 0.641 0.417 -0.119) 0.774 10.377 ( -0.215 -0.696 3.308) 3.387 ======================= Grid point 71 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 1.323 2.473 5.729) 6.379 1.125 ( -2.162 -1.246 -2.181) 3.314 1.389 ( -6.854 2.775 -8.427) 11.211 1.535 ( -2.359 -4.035 -8.524) 9.721 1.629 ( 4.378 -1.882 3.273) 5.782 1.773 ( 2.358 4.160 0.920) 4.870 1.842 ( 0.155 2.173 -1.635) 2.724 1.884 ( -0.310 -3.882 -0.017) 3.894 1.950 ( -0.577 1.401 1.356) 2.034 2.102 ( 2.735 1.795 3.158) 4.547 2.190 ( 1.690 -0.166 -5.570) 5.823 2.266 ( -1.016 1.515 1.428) 2.317 2.372 ( 0.355 -3.114 11.053) 11.489 2.493 ( -0.818 -0.402 2.575) 2.731 2.587 ( 0.308 -1.833 -4.744) 5.095 2.666 ( -0.049 -2.584 2.767) 3.786 2.870 ( -0.302 1.621 0.470) 1.714 2.952 ( -3.708 3.303 1.366) 5.150 3.141 ( 4.227 1.287 -4.162) 6.070 3.172 ( -5.286 2.194 5.652) 8.044 3.240 ( -1.884 6.207 -0.835) 6.540 3.463 ( 8.600 -5.428 -1.032) 10.222 3.579 ( 1.394 -2.879 -5.477) 6.343 3.810 ( 1.784 -3.700 4.169) 5.852 3.891 ( -10.871 3.763 -1.881) 11.656 4.112 ( 6.553 -1.835 -2.825) 7.368 4.385 ( -1.000 -0.150 -1.318) 1.661 4.516 ( -0.847 0.195 -1.705) 1.914 4.612 ( -2.625 -0.313 -2.609) 3.714 4.891 ( 1.336 -1.362 1.340) 2.332 5.061 ( 0.411 0.932 0.369) 1.084 5.174 ( 0.126 -0.502 3.233) 3.274 5.314 ( -0.470 2.089 -0.038) 2.141 5.433 ( 1.386 -0.205 -0.503) 1.489 6.125 ( -0.941 0.323 0.562) 1.143 6.296 ( -1.268 0.241 0.649) 1.445 6.979 ( 0.088 -0.535 -0.185) 0.573 7.186 ( 1.639 -0.516 -4.293) 4.624 7.792 ( 2.780 -1.102 -1.776) 3.478 7.889 ( -1.763 1.382 1.857) 2.910 8.047 ( -0.184 -0.519 -4.488) 4.521 8.264 ( -1.845 -0.073 4.263) 4.646 8.375 ( 3.613 -0.175 0.692) 3.682 8.643 ( 1.362 0.225 -3.591) 3.848 9.006 ( -1.594 -0.345 5.152) 5.404 9.214 ( -0.619 -0.013 -2.002) 2.096 9.315 ( -2.289 1.752 1.149) 3.103 9.480 ( 1.027 -1.037 -2.699) 3.068 9.717 ( -0.816 -0.260 1.122) 1.411 9.922 ( -0.111 0.446 -1.333) 1.410 10.057 ( 0.156 -0.428 0.943) 1.047 10.202 ( 0.489 -0.484 -1.414) 1.572 10.261 ( 1.796 1.076 -0.384) 2.128 10.394 ( -1.153 -0.770 3.863) 4.104 ======================= Grid point 72 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.615 9.097 6.218) 11.325 1.076 ( -3.017 0.478 -3.875) 4.934 1.131 ( -11.675 10.660 -3.510) 16.195 1.517 ( -4.375 0.179 -4.234) 6.091 1.678 ( 0.037 1.565 -1.756) 2.353 1.778 ( 5.545 0.796 4.334) 7.083 1.843 ( 4.409 -0.599 -2.346) 5.030 1.932 ( -0.116 -0.689 -2.808) 2.893 1.977 ( 0.945 -4.542 4.874) 6.729 2.138 ( 3.253 0.231 4.854) 5.848 2.169 ( -1.692 0.435 -6.172) 6.415 2.270 ( -0.055 -3.551 -0.374) 3.571 2.446 ( 0.669 0.466 5.390) 5.451 2.489 ( -2.493 -0.068 -1.354) 2.837 2.635 ( -0.309 -2.069 -1.416) 2.526 2.664 ( -6.788 7.467 -2.853) 10.486 2.733 ( -2.667 -1.557 6.061) 6.803 2.953 ( 1.260 -3.220 1.450) 3.749 3.047 ( -1.088 2.803 1.916) 3.565 3.161 ( 3.940 1.857 -1.602) 4.641 3.239 ( 1.618 -1.970 2.762) 3.759 3.616 ( -1.505 -2.205 -1.805) 3.223 3.627 ( 4.904 -2.285 -9.288) 10.748 3.715 ( -1.832 4.181 4.085) 6.126 3.882 ( 1.303 -1.661 1.304) 2.481 4.198 ( 3.533 -0.199 -0.281) 3.549 4.338 ( -7.710 -2.431 -4.798) 9.400 4.537 ( 3.777 -1.124 0.404) 3.961 4.605 ( -0.474 -2.721 -3.119) 4.166 4.912 ( -0.787 0.193 0.486) 0.945 5.044 ( 0.625 1.571 1.263) 2.110 5.191 ( -1.390 -0.661 1.974) 2.503 5.276 ( -0.497 1.775 1.006) 2.100 5.456 ( 1.710 -0.670 -0.482) 1.899 6.096 ( -2.126 1.332 0.728) 2.613 6.265 ( 0.647 3.567 0.757) 3.703 6.881 ( -8.837 5.148 -1.102) 10.286 7.176 ( 0.383 1.814 -4.690) 5.043 7.828 ( 2.915 0.068 -1.636) 3.344 7.859 ( -0.663 1.283 1.765) 2.280 8.062 ( 1.438 -2.191 -3.842) 4.650 8.283 ( -0.149 -1.398 4.973) 5.168 8.397 ( 2.877 2.373 -2.832) 4.682 8.650 ( 1.848 -0.416 -3.417) 3.907 9.011 ( -1.155 -0.081 4.537) 4.683 9.200 ( -1.362 -0.266 1.133) 1.791 9.290 ( 0.668 0.258 -2.152) 2.268 9.512 ( 1.219 -1.882 -0.245) 2.256 9.744 ( 1.052 -2.605 0.769) 2.912 9.909 ( -0.110 0.479 -1.119) 1.222 10.066 ( -2.031 -1.408 0.766) 2.587 10.197 ( -1.197 -0.247 -1.511) 1.944 10.265 ( 2.430 1.261 -0.397) 2.766 10.404 ( -2.491 -1.261 4.050) 4.919 ======================= Grid point 73 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -4.580 12.780 8.793) 16.174 0.778 ( -9.850 14.049 -2.980) 17.415 1.048 ( -5.143 0.966 8.579) 10.049 1.427 ( -5.686 1.470 -2.870) 6.537 1.639 ( 0.152 2.886 -0.265) 2.902 1.716 ( -5.591 9.626 -1.470) 11.229 1.901 ( 4.507 -0.013 -2.719) 5.264 1.984 ( 2.760 -3.362 -0.434) 4.372 2.029 ( -1.480 1.178 0.184) 1.900 2.148 ( 0.037 -4.418 -5.695) 7.208 2.199 ( 1.715 -2.199 6.285) 6.876 2.281 ( -6.506 2.165 -1.043) 6.935 2.340 ( -1.283 -3.996 -0.038) 4.197 2.500 ( 2.380 0.326 5.667) 6.156 2.611 ( 2.672 -2.759 -4.448) 5.877 2.690 ( 3.635 -0.708 -1.809) 4.122 2.787 ( 0.408 -1.718 4.267) 4.618 2.947 ( 1.072 2.607 -2.593) 3.830 3.088 ( 2.023 -2.191 2.372) 3.810 3.163 ( 2.310 1.398 -2.155) 3.455 3.320 ( -0.787 -4.322 4.149) 6.043 3.520 ( -5.019 1.844 -4.772) 7.167 3.617 ( -2.171 1.174 1.001) 2.663 3.787 ( 6.405 -0.616 0.726) 6.475 3.926 ( 1.861 -1.804 1.219) 2.865 4.179 ( -1.809 2.161 -0.262) 2.830 4.276 ( -7.366 -3.602 -7.710) 11.255 4.596 ( 1.693 -1.246 -1.652) 2.674 4.676 ( 4.724 -3.310 -0.600) 5.800 4.870 ( -2.437 2.063 -1.330) 3.459 5.045 ( 0.711 0.082 2.221) 2.333 5.181 ( -1.432 -0.146 0.178) 1.451 5.261 ( -0.530 0.453 4.357) 4.413 5.486 ( 1.718 -0.749 -0.232) 1.889 6.043 ( -3.371 1.977 2.094) 4.434 6.198 ( -0.119 5.696 1.634) 5.927 6.656 ( -10.859 6.488 -2.812) 12.958 7.086 ( 0.067 7.066 -9.398) 11.758 7.829 ( -0.015 0.717 -1.586) 1.741 7.868 ( 3.414 0.733 2.064) 4.056 8.095 ( 0.570 -1.345 -4.065) 4.320 8.314 ( 0.114 6.889 -10.867) 12.867 8.338 ( 0.906 -1.623 4.829) 5.174 8.674 ( 2.237 -0.929 -2.558) 3.523 9.014 ( -0.762 0.128 2.866) 2.968 9.222 ( 1.621 -1.135 7.750) 7.998 9.292 ( 1.491 -0.232 -4.315) 4.571 9.559 ( 0.087 -2.223 2.979) 3.718 9.826 ( 1.799 -4.997 0.353) 5.323 9.899 ( 0.249 0.280 -0.125) 0.395 10.056 ( -4.633 -1.863 0.304) 5.003 10.175 ( -1.607 0.114 -2.170) 2.703 10.271 ( 2.286 1.313 -0.295) 2.653 10.409 ( -4.244 -2.441 3.267) 5.886 ======================= Grid point 74 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -10.230 8.259 12.952) 18.456 0.500 ( -2.289 14.348 14.950) 20.847 0.886 ( -15.071 13.225 25.526) 32.459 1.373 ( -2.056 -4.161 -7.641) 8.940 1.466 ( -2.498 7.246 -13.629) 15.636 1.594 ( 2.655 5.225 3.756) 6.961 1.914 ( 0.733 1.119 -2.448) 2.790 1.988 ( -0.670 1.052 -0.909) 1.543 2.046 ( 0.644 -1.440 0.171) 1.586 2.221 ( 1.611 -3.482 -3.294) 5.056 2.256 ( -3.372 -3.070 0.347) 4.574 2.309 ( 2.686 -4.951 5.834) 8.109 2.376 ( -2.265 -3.041 1.410) 4.046 2.544 ( 1.746 0.616 5.727) 6.019 2.653 ( 4.080 -0.240 -6.716) 7.862 2.760 ( 4.837 -1.949 -1.603) 5.456 2.812 ( 0.521 0.153 1.702) 1.787 2.927 ( 3.653 1.572 -4.101) 5.712 3.119 ( 1.696 0.253 -4.126) 4.468 3.156 ( -0.537 0.119 -1.555) 1.650 3.316 ( -6.214 1.444 -2.161) 6.736 3.452 ( -1.550 1.591 -0.802) 2.362 3.592 ( -2.544 -1.434 6.516) 7.141 3.844 ( 1.772 -0.478 0.783) 1.995 3.988 ( 1.052 -1.440 5.672) 5.946 4.136 ( -0.063 0.421 -1.544) 1.601 4.226 ( -3.755 -1.499 -6.529) 7.680 4.593 ( 0.125 1.335 -6.550) 6.686 4.756 ( 2.707 -0.321 -0.726) 2.821 4.812 ( -1.347 0.552 -0.652) 1.595 5.071 ( 0.090 -1.012 3.140) 3.300 5.180 ( -0.368 -0.948 -0.887) 1.349 5.305 ( 0.705 -5.422 9.412) 10.885 5.529 ( 4.117 -1.066 2.620) 4.995 5.975 ( -4.124 2.397 4.604) 6.629 6.101 ( -4.627 3.653 1.964) 6.214 6.455 ( -5.777 3.957 -4.801) 8.490 6.808 ( -0.690 25.205 -23.847) 34.705 7.813 ( -0.218 0.390 -1.339) 1.411 7.902 ( 6.856 4.004 -0.044) 7.940 7.996 ( -7.024 7.936 -9.731) 14.388 8.165 ( -0.678 1.772 -4.430) 4.819 8.395 ( 0.571 -1.363 5.126) 5.335 8.704 ( 1.697 -0.841 -2.412) 3.067 9.010 ( -1.089 0.158 1.891) 2.188 9.294 ( 1.817 -0.367 -5.241) 5.559 9.373 ( 13.423 -3.204 13.884) 19.576 9.600 ( -1.197 -1.559 5.280) 5.634 9.882 ( -0.443 -0.618 -0.928) 1.200 9.958 ( 1.836 -4.826 2.330) 5.665 10.033 ( -7.439 -5.148 -0.253) 9.050 10.147 ( -2.042 -0.558 -2.485) 3.265 10.269 ( 1.918 1.795 -0.384) 2.655 10.390 ( -8.502 -2.127 -1.357) 8.868 ======================= Grid point 76 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 11.854 -0.000 14.181) 18.483 0.655 ( 12.172 -0.000 11.530) 16.766 1.314 ( 3.828 -0.000 -10.593) 11.264 1.328 ( 9.014 -0.000 15.333) 17.786 1.500 ( 16.526 -0.000 1.401) 16.585 1.670 ( -0.962 0.000 2.376) 2.563 1.840 ( -0.818 0.000 -4.151) 4.230 1.961 ( 0.324 -0.000 -1.892) 1.919 1.993 ( -0.233 0.000 1.538) 1.556 2.103 ( -4.637 0.000 2.636) 5.334 2.255 ( -0.220 0.000 -3.600) 3.606 2.306 ( -4.838 0.000 1.694) 5.126 2.397 ( -2.277 0.000 2.094) 3.093 2.602 ( -0.334 0.000 -8.192) 8.199 2.680 ( -0.909 0.000 7.787) 7.839 2.697 ( -6.503 0.000 4.516) 7.917 2.824 ( -1.423 0.000 -5.657) 5.834 2.983 ( 2.085 -0.000 -3.747) 4.288 3.024 ( -2.616 0.000 -1.153) 2.858 3.098 ( 4.379 -0.000 -9.379) 10.351 3.224 ( 1.371 -0.000 4.878) 5.067 3.395 ( -1.945 0.000 -3.865) 4.327 3.704 ( -5.735 0.000 0.377) 5.748 3.716 ( 1.519 -0.000 9.831) 9.948 3.992 ( -2.437 0.000 2.946) 3.823 4.227 ( 0.799 -0.000 -6.880) 6.926 4.519 ( 5.819 -0.000 -8.256) 10.101 4.531 ( 2.031 -0.000 -7.568) 7.836 4.702 ( -3.921 0.000 -0.675) 3.979 4.843 ( 4.055 -0.000 -0.327) 4.068 5.015 ( -2.598 0.000 3.361) 4.248 5.202 ( 1.860 -0.000 -1.389) 2.321 5.432 ( -7.758 0.000 6.509) 10.127 5.530 ( -2.364 0.000 4.314) 4.919 6.087 ( 9.540 -0.000 4.869) 10.711 6.307 ( 8.991 -0.000 -1.840) 9.178 6.377 ( 11.414 -0.000 -8.700) 14.352 6.654 ( 14.634 -0.000 -8.674) 17.011 7.801 ( 1.070 -0.000 -1.651) 1.968 7.855 ( 2.747 -0.000 -1.440) 3.101 8.133 ( 1.860 -0.000 -2.641) 3.230 8.136 ( 4.607 -0.000 -3.165) 5.590 8.430 ( -2.975 0.000 5.879) 6.589 8.680 ( -0.521 0.000 -3.830) 3.865 8.991 ( -1.670 0.000 4.115) 4.441 9.275 ( 0.408 -0.000 -5.997) 6.011 9.544 ( -4.710 0.000 0.578) 4.746 9.592 ( -15.899 0.000 12.283) 20.091 9.850 ( -3.581 0.000 -2.559) 4.402 9.907 ( 0.623 -0.000 1.162) 1.318 10.082 ( -1.084 0.000 -0.011) 1.084 10.221 ( 12.384 -0.000 -7.576) 14.517 10.263 ( 0.518 -0.000 -0.766) 0.925 10.272 ( 1.493 -0.000 3.132) 3.470 ======================= Grid point 77 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.580 -2.954 4.276) 9.191 0.862 ( 13.450 -2.468 10.364) 17.158 1.371 ( 3.051 -1.030 -4.523) 5.552 1.391 ( 6.824 -2.070 -9.495) 11.875 1.652 ( 5.064 0.189 10.486) 11.647 1.725 ( 3.107 4.156 1.704) 5.462 1.798 ( 1.429 0.032 -3.099) 3.412 1.931 ( -1.836 -0.411 -2.372) 3.027 2.067 ( -1.596 -0.629 1.413) 2.223 2.103 ( 0.991 -4.601 4.717) 6.663 2.219 ( 0.802 2.245 -0.253) 2.397 2.259 ( -4.164 -1.029 0.533) 4.322 2.372 ( 0.465 0.691 -0.758) 1.126 2.561 ( -0.770 0.615 -6.491) 6.565 2.625 ( -4.338 3.129 7.279) 9.033 2.715 ( -1.888 -0.103 2.521) 3.151 2.781 ( -0.634 -3.613 -0.474) 3.699 2.981 ( 0.129 -0.031 -2.843) 2.846 3.045 ( 1.308 -2.349 0.007) 2.689 3.121 ( 2.508 -0.154 -6.566) 7.031 3.242 ( -0.466 0.800 5.913) 5.985 3.363 ( -2.834 -1.505 -4.751) 5.733 3.630 ( -1.915 1.428 0.986) 2.584 3.785 ( -0.598 -0.787 5.989) 6.070 3.968 ( -0.595 0.737 4.245) 4.349 4.185 ( -2.776 1.048 -10.257) 10.678 4.435 ( -1.067 3.220 -6.130) 7.006 4.563 ( -0.535 -1.235 -6.094) 6.241 4.684 ( 1.598 1.190 -0.099) 1.995 4.874 ( 2.580 0.626 -0.714) 2.749 5.015 ( 0.008 -0.087 3.646) 3.647 5.215 ( 1.140 0.301 -0.657) 1.350 5.376 ( -2.029 1.496 5.447) 6.002 5.486 ( -3.282 1.993 1.894) 4.281 6.219 ( 7.517 -0.267 2.586) 7.954 6.247 ( 12.813 10.189 0.287) 16.373 6.644 ( 12.185 -8.262 -3.961) 15.246 6.877 ( 7.996 -11.655 -7.705) 16.098 7.788 ( 1.309 1.929 -1.588) 2.820 7.892 ( 1.600 -1.349 -0.856) 2.260 8.113 ( 1.435 2.476 -2.116) 3.560 8.214 ( 3.441 -3.393 -2.817) 5.594 8.394 ( -4.073 1.875 5.926) 7.431 8.661 ( -0.257 -0.129 -4.074) 4.085 8.989 ( -1.620 -0.157 4.434) 4.723 9.249 ( -0.496 0.503 -4.974) 5.024 9.465 ( -7.745 1.968 7.814) 11.176 9.494 ( -5.289 -0.095 -1.795) 5.587 9.796 ( -3.267 1.200 -0.150) 3.484 9.924 ( 0.951 -0.298 0.625) 1.176 10.072 ( -1.414 -0.575 -0.087) 1.529 10.227 ( 1.324 2.831 0.151) 3.128 10.268 ( 4.449 0.976 -1.691) 4.859 10.348 ( 2.131 -1.460 0.035) 2.583 ======================= Grid point 78 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 5.847 -5.212 -2.842) 8.332 1.095 ( 14.516 -0.949 8.497) 16.846 1.335 ( -2.760 1.445 -4.470) 5.448 1.486 ( 2.179 -3.876 -8.224) 9.349 1.625 ( -2.204 3.593 -2.115) 4.716 1.747 ( 3.411 -1.187 6.927) 7.812 1.854 ( 7.464 -0.075 0.958) 7.526 1.916 ( -0.050 0.754 -2.161) 2.290 2.017 ( -3.891 2.815 0.053) 4.803 2.101 ( -2.477 -1.379 -2.348) 3.682 2.243 ( -2.265 -2.265 3.026) 4.407 2.270 ( 2.830 1.872 3.218) 4.676 2.357 ( 0.034 1.900 -1.017) 2.156 2.523 ( -3.397 2.511 2.705) 5.016 2.564 ( -3.262 -2.094 0.514) 3.910 2.642 ( -2.196 2.819 -4.668) 5.878 2.960 ( 2.166 0.149 -0.952) 2.370 3.017 ( 5.471 -7.199 4.512) 10.105 3.032 ( -2.116 1.873 3.938) 4.848 3.143 ( 0.574 -4.585 3.088) 5.558 3.240 ( -1.359 0.690 4.427) 4.682 3.365 ( 1.271 -3.122 -7.907) 8.596 3.598 ( -1.288 1.945 -4.221) 4.823 3.749 ( -2.437 1.633 3.196) 4.338 3.984 ( -5.865 1.930 0.884) 6.237 4.096 ( 4.621 0.166 -5.361) 7.079 4.383 ( -3.818 -1.410 -4.213) 5.858 4.535 ( -0.335 0.991 -2.138) 2.380 4.666 ( 0.947 2.777 -2.192) 3.663 4.883 ( 1.503 0.819 0.393) 1.756 5.041 ( 1.927 -0.158 2.477) 3.142 5.206 ( -0.228 1.023 -0.273) 1.083 5.376 ( -0.034 1.095 4.511) 4.642 5.427 ( -1.942 0.680 -0.695) 2.172 6.238 ( 10.586 6.818 0.034) 12.591 6.311 ( 7.747 1.804 1.825) 8.161 6.871 ( 8.776 -5.736 -2.056) 10.684 7.075 ( 3.281 -7.132 -4.394) 8.997 7.778 ( 2.546 0.673 -1.533) 3.047 7.919 ( 0.820 -0.345 0.079) 0.893 8.071 ( 0.090 2.589 -2.911) 3.897 8.266 ( -1.273 -0.696 1.080) 1.808 8.361 ( 0.547 0.104 3.622) 3.665 8.648 ( -0.002 -0.156 -3.859) 3.862 8.993 ( -1.539 -0.342 4.903) 5.150 9.217 ( -1.178 0.153 -3.670) 3.857 9.374 ( -6.232 1.839 4.183) 7.728 9.459 ( -0.082 -0.473 -3.841) 3.871 9.743 ( -2.579 1.294 1.357) 3.188 9.936 ( 0.789 0.237 -0.423) 0.926 10.063 ( -1.412 -0.124 0.067) 1.419 10.207 ( 0.287 0.915 -0.322) 1.011 10.289 ( 2.576 0.950 -0.129) 2.749 10.376 ( 0.395 -0.257 1.588) 1.657 ======================= Grid point 79 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.759 -0.655 -1.534) 4.113 1.206 ( 7.650 5.926 0.135) 9.678 1.282 ( -6.885 -1.626 -0.674) 7.107 1.489 ( 4.227 0.896 -5.919) 7.328 1.633 ( 3.410 -4.282 -0.858) 5.541 1.810 ( 0.256 -1.244 3.591) 3.809 1.852 ( -0.887 3.666 -2.003) 4.270 1.921 ( 3.131 3.131 0.086) 4.429 1.976 ( 3.427 -0.295 -1.887) 3.923 2.110 ( -0.756 -1.493 -1.349) 2.149 2.211 ( -0.380 3.236 -6.062) 6.882 2.267 ( -2.134 -1.034 2.482) 3.432 2.370 ( -1.593 -0.783 14.210) 14.321 2.473 ( -1.808 -1.978 1.695) 3.171 2.561 ( -1.517 2.352 -5.034) 5.759 2.599 ( -2.114 -4.776 1.080) 5.334 2.866 ( -6.077 4.089 -0.684) 7.356 2.963 ( -4.823 2.455 5.993) 8.075 3.125 ( -0.708 -1.236 -4.502) 4.722 3.215 ( 0.044 1.683 6.119) 6.346 3.268 ( -4.207 1.621 1.586) 4.779 3.486 ( 12.644 -7.121 -1.617) 14.602 3.550 ( 3.274 -0.608 -6.367) 7.185 3.767 ( -0.399 -3.620 3.163) 4.824 3.827 ( -6.631 3.052 -4.643) 8.651 4.187 ( 7.879 0.121 -0.968) 7.939 4.327 ( -7.747 -1.063 -2.619) 8.246 4.532 ( 2.722 0.574 0.380) 2.807 4.612 ( 0.108 2.681 -3.325) 4.273 4.886 ( -0.544 0.116 1.792) 1.876 5.073 ( 1.554 -0.159 0.981) 1.845 5.185 ( -0.958 0.698 1.200) 1.686 5.336 ( -1.839 2.062 0.146) 2.767 5.434 ( 0.666 -0.853 0.282) 1.118 6.243 ( 9.716 7.440 0.392) 12.244 6.368 ( 8.068 2.754 1.094) 8.595 6.974 ( 0.092 -0.171 -0.419) 0.462 7.148 ( -0.349 -2.658 -3.604) 4.492 7.817 ( 4.108 -1.027 -2.046) 4.703 7.921 ( 1.345 1.730 1.134) 2.467 8.027 ( 0.131 0.900 -3.792) 3.900 8.252 ( -2.343 -0.412 4.575) 5.157 8.409 ( 3.136 -0.946 0.588) 3.328 8.638 ( 0.307 -0.340 -3.853) 3.881 9.001 ( -1.417 -0.457 5.310) 5.515 9.190 ( -1.875 -0.310 -1.944) 2.719 9.309 ( -2.609 0.978 0.696) 2.872 9.469 ( 1.622 -0.946 -2.863) 3.424 9.714 ( -0.985 0.214 1.640) 1.925 9.931 ( 0.634 0.817 -1.163) 1.556 10.045 ( -1.993 0.039 0.345) 2.023 10.195 ( -0.681 0.052 -1.117) 1.310 10.296 ( 1.424 0.954 0.555) 1.801 10.382 ( -1.131 -0.165 2.586) 2.827 ======================= Grid point 80 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.135 2.685 1.211) 3.157 1.137 ( -4.518 7.964 -2.559) 9.507 1.162 ( 2.387 7.610 1.631) 8.141 1.533 ( 6.692 3.106 -3.380) 8.115 1.700 ( -0.436 2.444 -0.728) 2.587 1.825 ( 4.891 -4.019 -0.462) 6.348 1.867 ( 1.776 -3.067 -2.502) 4.338 1.911 ( 4.370 2.610 2.129) 5.517 2.003 ( 0.857 1.241 2.938) 3.302 2.107 ( -2.021 -1.072 -6.437) 6.832 2.169 ( -0.717 -1.304 -0.559) 1.590 2.224 ( -3.131 1.182 0.535) 3.389 2.444 ( -3.776 -2.411 10.218) 11.157 2.468 ( -4.366 3.368 -1.337) 5.674 2.542 ( -0.630 -5.697 -1.234) 5.863 2.680 ( -0.052 -5.673 2.955) 6.397 2.691 ( -7.847 6.016 -0.684) 9.912 2.899 ( -3.045 -1.746 3.995) 5.317 3.086 ( -1.356 2.604 3.410) 4.500 3.205 ( -2.603 0.461 0.352) 2.667 3.229 ( 2.381 -0.676 -1.929) 3.138 3.558 ( -1.289 1.966 -9.614) 9.897 3.621 ( 5.052 -2.074 -6.926) 8.820 3.795 ( 2.893 -0.514 6.422) 7.062 3.873 ( 4.243 -2.674 3.592) 6.169 4.215 ( -5.158 -1.180 -4.916) 7.222 4.256 ( 0.879 1.759 0.081) 1.968 4.575 ( 3.849 0.176 -1.131) 4.015 4.590 ( 3.208 -0.564 0.579) 3.308 4.873 ( -3.375 -0.563 0.188) 3.427 5.079 ( 0.593 0.933 0.289) 1.143 5.172 ( -2.127 -0.003 2.609) 3.366 5.293 ( -0.987 1.142 -0.220) 1.526 5.452 ( 0.503 -0.801 -1.269) 1.583 6.221 ( 8.317 8.448 1.199) 11.916 6.408 ( 8.526 5.297 1.993) 10.234 6.867 ( -8.643 5.962 -0.560) 10.514 7.152 ( -1.632 -1.041 -4.593) 4.984 7.852 ( 1.243 0.280 -1.732) 2.150 7.922 ( 4.580 2.541 1.111) 5.355 8.033 ( 1.757 -1.723 -3.330) 4.141 8.270 ( -1.108 -1.819 5.559) 5.953 8.437 ( 1.702 0.732 -4.671) 5.025 8.640 ( 0.918 -0.913 -4.049) 4.251 9.012 ( -1.296 -0.349 4.852) 5.035 9.183 ( -0.718 -1.130 2.510) 2.844 9.285 ( -0.442 0.015 -1.571) 1.632 9.498 ( 1.309 -1.341 -0.957) 2.104 9.731 ( 1.413 -1.439 1.063) 2.280 9.921 ( 0.786 0.939 -0.843) 1.487 10.018 ( -3.415 -0.328 0.132) 3.433 10.178 ( -1.361 -0.044 -2.227) 2.610 10.298 ( 0.614 0.670 1.088) 1.417 10.375 ( -2.379 -0.121 3.013) 3.841 ======================= Grid point 81 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -5.457 12.072 -1.132) 13.296 1.004 ( 0.309 5.876 2.335) 6.331 1.094 ( 6.924 9.669 9.281) 15.085 1.464 ( -0.765 7.891 1.968) 8.169 1.648 ( -2.112 2.628 -6.218) 7.073 1.843 ( 0.231 8.480 1.226) 8.571 1.936 ( 0.526 -2.046 -3.171) 3.810 1.958 ( 5.337 -1.744 1.059) 5.714 2.039 ( 1.694 -0.652 0.074) 1.817 2.069 ( 0.692 -2.972 -3.212) 4.430 2.160 ( -5.962 -0.439 -1.459) 6.154 2.234 ( -2.674 -3.499 0.517) 4.434 2.259 ( -4.924 1.235 1.000) 5.174 2.520 ( -1.656 -2.711 10.757) 11.216 2.565 ( 0.123 -2.029 -6.188) 6.513 2.673 ( 1.953 -3.289 -0.584) 3.870 2.778 ( 1.747 -3.378 3.617) 5.249 2.943 ( -1.170 -2.593 -0.704) 2.930 3.074 ( -0.819 -1.622 6.463) 6.713 3.170 ( -2.334 0.673 -0.878) 2.583 3.268 ( 0.712 -2.548 -1.936) 3.278 3.470 ( -1.223 1.449 -7.899) 8.124 3.650 ( 1.351 2.234 -2.871) 3.881 3.859 ( 2.110 -0.025 3.418) 4.017 3.926 ( 4.007 -0.296 -0.801) 4.097 4.148 ( -4.779 0.490 1.248) 4.963 4.245 ( 1.331 1.180 -1.205) 2.149 4.595 ( 1.480 0.072 -1.361) 2.012 4.700 ( 6.732 -3.038 1.239) 7.489 4.827 ( -4.580 -0.004 -2.116) 5.046 5.073 ( 0.774 0.975 1.474) 1.929 5.151 ( -3.042 -0.593 1.420) 3.409 5.274 ( -0.415 0.595 1.371) 1.551 5.465 ( -0.003 -1.421 -2.714) 3.063 6.170 ( 5.517 9.052 3.788) 11.257 6.389 ( 5.988 9.276 4.052) 11.761 6.643 ( -8.727 7.061 -2.428) 11.486 7.106 ( -1.275 1.734 -8.298) 8.573 7.839 ( -0.023 1.110 -0.816) 1.377 7.946 ( 4.281 1.737 1.916) 5.001 8.069 ( 1.517 -1.392 -3.838) 4.355 8.317 ( -0.985 -2.236 4.128) 4.796 8.371 ( 0.262 4.176 -12.841) 13.506 8.659 ( 1.177 -1.643 -3.496) 4.038 9.015 ( -1.399 -0.009 3.375) 3.654 9.248 ( 2.445 -3.458 9.201) 10.129 9.279 ( 0.573 -0.384 -2.800) 2.884 9.534 ( 0.173 -1.966 1.525) 2.494 9.787 ( 1.644 -2.192 0.768) 2.846 9.917 ( 1.325 0.782 0.425) 1.596 9.979 ( -4.341 -0.637 -0.422) 4.408 10.149 ( -1.813 0.098 -3.634) 4.062 10.296 ( -0.547 0.388 1.842) 1.960 10.358 ( -2.526 -0.142 2.651) 3.665 ======================= Grid point 82 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -1.167 13.121 5.998) 14.474 0.844 ( -0.972 16.732 9.204) 19.122 1.096 ( 6.007 7.761 18.342) 20.802 1.323 ( -1.840 4.752 -0.607) 5.132 1.479 ( -3.325 5.993 -10.466) 12.511 1.769 ( 7.228 6.812 2.665) 10.283 1.893 ( -4.683 -0.228 -3.493) 5.847 1.991 ( -0.964 1.682 -3.416) 3.928 2.054 ( 3.136 0.375 0.478) 3.194 2.154 ( -3.024 -4.524 1.016) 5.536 2.169 ( 2.883 -4.940 -2.910) 6.417 2.272 ( 0.197 -4.579 4.514) 6.433 2.291 ( -2.032 -3.718 -0.995) 4.352 2.572 ( -0.676 -1.233 8.001) 8.124 2.609 ( 0.028 -4.599 -5.002) 6.795 2.744 ( 2.427 -3.484 -3.562) 5.542 2.828 ( -1.052 0.166 3.952) 4.094 2.950 ( 1.511 -0.417 -1.680) 2.297 3.114 ( 0.589 0.676 -6.526) 6.587 3.137 ( -1.011 -1.190 1.856) 2.425 3.282 ( -3.304 0.562 0.048) 3.351 3.431 ( -0.579 -0.366 -3.982) 4.040 3.589 ( -0.582 2.253 1.436) 2.734 3.858 ( -1.004 0.775 -1.021) 1.628 3.993 ( 0.286 -1.302 4.591) 4.781 4.129 ( 2.397 -1.333 -0.254) 2.754 4.270 ( 6.190 0.161 2.259) 6.591 4.571 ( -2.467 0.732 -6.338) 6.840 4.776 ( -2.553 -0.733 -0.428) 2.690 4.798 ( 3.956 0.186 -0.565) 4.001 5.073 ( -0.633 0.334 2.509) 2.609 5.153 ( -0.426 -1.865 0.123) 1.917 5.279 ( -0.218 -1.253 4.491) 4.668 5.482 ( -0.732 -2.776 -2.824) 4.027 6.080 ( -0.205 7.836 6.765) 10.354 6.273 ( 0.548 11.617 5.800) 12.996 6.483 ( 1.266 5.266 -4.287) 6.907 6.994 ( 2.605 8.579 -17.414) 19.587 7.815 ( -0.654 0.964 -0.914) 1.481 7.951 ( -2.737 1.685 2.241) 3.918 8.074 ( 3.916 1.546 -7.409) 8.522 8.206 ( 2.742 6.538 -15.464) 17.011 8.383 ( -0.783 -2.407 5.354) 5.923 8.686 ( 0.684 -1.520 -3.191) 3.600 9.007 ( -1.563 0.227 3.105) 3.484 9.279 ( 0.592 -0.973 -4.983) 5.112 9.439 ( 4.492 -8.710 13.689) 16.835 9.586 ( 1.872 -3.284 4.033) 5.528 9.820 ( -1.694 -1.125 1.940) 2.810 9.916 ( -1.280 0.489 1.399) 1.958 9.955 ( -1.128 -0.797 -0.696) 1.547 10.112 ( -0.892 0.362 -4.632) 4.731 10.282 ( -2.089 0.450 2.084) 2.984 10.342 ( -0.966 0.720 1.195) 1.697 ======================= Grid point 85 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 2.141 -0.000 -0.864) 2.308 1.019 ( 12.401 -0.000 7.104) 14.292 1.381 ( 6.501 -0.000 -6.070) 8.894 1.443 ( 3.648 -0.000 -1.737) 4.041 1.658 ( 1.642 -0.000 1.511) 2.231 1.820 ( 2.055 -0.000 -2.530) 3.259 1.868 ( -2.619 0.000 -3.233) 4.161 1.939 ( 8.800 -0.000 -0.164) 8.802 2.053 ( -2.201 0.000 1.545) 2.689 2.074 ( -0.376 0.000 4.900) 4.914 2.200 ( -3.369 0.000 -0.109) 3.371 2.269 ( 4.196 -0.000 6.463) 7.706 2.339 ( -3.522 0.000 -2.205) 4.156 2.531 ( -0.665 0.000 -5.903) 5.940 2.671 ( -6.487 0.000 -6.658) 9.296 2.698 ( 3.940 -0.000 9.328) 10.126 2.704 ( -1.516 0.000 8.249) 8.388 3.000 ( 2.125 -0.000 -4.766) 5.219 3.020 ( 0.774 -0.000 1.864) 2.019 3.153 ( 5.652 -0.000 -8.035) 9.824 3.271 ( -0.925 0.000 5.662) 5.737 3.285 ( -5.458 0.000 -0.035) 5.458 3.606 ( -2.871 0.000 -0.415) 2.900 3.827 ( 1.800 -0.000 7.994) 8.194 3.969 ( -1.370 0.000 2.628) 2.964 4.133 ( -2.065 0.000 -11.068) 11.259 4.341 ( -10.830 0.000 -6.238) 12.498 4.554 ( 3.271 -0.000 -6.488) 7.266 4.716 ( 1.064 -0.000 1.315) 1.691 4.898 ( 1.131 -0.000 -1.228) 1.669 5.056 ( 3.842 -0.000 2.958) 4.849 5.223 ( 0.434 -0.000 -1.135) 1.215 5.383 ( -1.101 0.000 4.574) 4.704 5.453 ( -5.131 0.000 1.505) 5.347 6.347 ( 9.767 -0.000 4.092) 10.590 6.612 ( 15.562 -0.000 1.704) 15.655 6.617 ( 13.515 -0.000 -5.205) 14.482 6.840 ( 7.976 -0.000 -6.238) 10.125 7.818 ( 0.972 -0.000 -0.666) 1.178 7.886 ( 1.282 -0.000 -3.181) 3.430 8.170 ( 0.633 -0.000 -1.263) 1.413 8.204 ( 4.411 -0.000 0.001) 4.411 8.379 ( -4.812 0.000 5.744) 7.493 8.638 ( -0.286 0.000 -4.606) 4.615 8.988 ( -1.403 0.000 4.557) 4.768 9.220 ( -1.965 0.000 -4.483) 4.895 9.414 ( -7.378 0.000 7.139) 10.267 9.447 ( -1.205 0.000 -5.289) 5.424 9.769 ( -3.831 0.000 1.960) 4.304 9.939 ( 1.557 -0.000 0.490) 1.633 10.046 ( -1.441 0.000 -0.807) 1.652 10.225 ( -2.068 0.000 -0.140) 2.073 10.315 ( 0.134 -0.000 3.420) 3.423 10.377 ( 4.827 -0.000 -3.915) 6.215 ======================= Grid point 86 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 1.269 -5.299 -6.269) 8.306 1.207 ( 8.647 -3.503 6.548) 11.398 1.377 ( 1.484 5.132 1.484) 5.545 1.490 ( 4.954 -1.233 -1.617) 5.355 1.640 ( -2.421 3.740 -3.320) 5.556 1.826 ( 7.152 1.318 -0.518) 7.291 1.888 ( 1.414 -2.585 -1.216) 3.188 1.985 ( 6.696 2.019 0.563) 7.016 2.013 ( -4.641 -0.364 0.861) 4.734 2.043 ( -3.639 2.180 -1.533) 4.510 2.186 ( -1.348 -1.742 0.114) 2.206 2.305 ( -3.161 -0.702 -1.339) 3.504 2.361 ( 2.454 -1.505 4.066) 4.982 2.486 ( -2.079 1.875 -5.312) 6.004 2.542 ( -5.268 2.506 -3.743) 6.931 2.669 ( 0.198 4.081 6.017) 7.273 2.945 ( 4.172 -7.184 5.460) 9.941 2.997 ( 4.686 -2.482 4.589) 7.012 3.064 ( 0.831 -3.107 -2.342) 3.979 3.109 ( -1.678 5.301 0.306) 5.569 3.265 ( -1.442 0.826 5.938) 6.166 3.303 ( 2.526 -5.053 -4.497) 7.221 3.582 ( -1.351 0.166 -2.898) 3.202 3.793 ( -1.699 5.323 3.000) 6.342 3.951 ( -5.009 2.841 -4.574) 7.354 4.105 ( 1.598 -4.862 -1.374) 5.299 4.238 ( -7.949 -2.785 -2.596) 8.814 4.565 ( 3.384 0.640 -4.717) 5.841 4.704 ( -0.533 2.388 0.537) 2.506 4.901 ( -0.050 0.018 0.322) 0.326 5.101 ( 4.352 1.360 0.633) 4.604 5.212 ( -0.198 0.801 -1.604) 1.804 5.391 ( -2.600 0.687 3.110) 4.112 5.403 ( -1.650 -0.528 1.556) 2.329 6.438 ( 8.941 2.888 2.879) 9.827 6.585 ( 15.185 11.793 -0.170) 19.228 6.875 ( 8.727 -4.567 -3.325) 10.396 6.989 ( 5.768 -7.719 -2.293) 9.905 7.811 ( 1.238 1.044 -0.707) 1.767 7.904 ( 0.772 -1.777 -2.868) 3.461 8.132 ( 0.870 3.835 -0.912) 4.037 8.248 ( -1.809 -0.333 3.253) 3.737 8.366 ( 0.139 -1.306 2.519) 2.841 8.624 ( -0.008 -0.463 -4.623) 4.646 8.991 ( -1.264 -0.137 4.901) 5.064 9.180 ( -2.498 -0.237 -3.275) 4.126 9.351 ( -4.578 1.420 3.363) 5.855 9.437 ( 1.048 -1.083 -4.602) 4.842 9.729 ( -3.807 0.414 3.105) 4.930 9.954 ( 1.614 0.557 -0.349) 1.743 10.036 ( -1.125 -0.665 -0.730) 1.497 10.196 ( -2.510 0.017 -0.280) 2.525 10.322 ( -0.084 0.430 2.939) 2.971 10.399 ( 2.438 0.878 -2.100) 3.335 ======================= Grid point 87 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.097 -8.213 -5.884) 10.318 1.241 ( -1.410 5.331 8.142) 9.834 1.361 ( 2.138 4.463 -2.370) 5.487 1.557 ( 2.333 -2.900 -2.590) 4.535 1.605 ( 6.375 -2.010 2.873) 7.275 1.858 ( 4.165 2.464 0.043) 4.840 1.899 ( -0.632 3.607 0.620) 3.714 1.974 ( 2.566 0.785 -3.351) 4.293 2.021 ( 3.020 -0.695 -3.381) 4.586 2.067 ( 1.793 -3.376 1.923) 4.279 2.199 ( -1.312 -1.513 -0.757) 2.141 2.233 ( -4.012 3.612 -2.742) 6.055 2.393 ( -3.817 1.223 4.584) 6.089 2.411 ( -2.461 -2.729 -1.700) 4.049 2.479 ( -2.459 -1.659 -3.332) 4.461 2.626 ( 1.252 4.730 4.629) 6.735 2.890 ( -4.414 6.241 -0.896) 7.697 2.970 ( -6.550 3.957 5.817) 9.612 3.074 ( 0.112 -2.003 -4.211) 4.664 3.226 ( -4.176 -2.075 5.632) 7.312 3.257 ( -0.517 0.899 5.681) 5.775 3.512 ( 15.912 -9.459 -2.418) 18.669 3.550 ( 1.952 -0.964 -6.705) 7.050 3.722 ( -2.936 0.668 -0.875) 3.136 3.826 ( -0.741 3.101 -2.881) 4.297 4.148 ( -9.210 -4.358 -3.594) 10.805 4.267 ( 3.597 -2.282 4.859) 6.462 4.580 ( 3.845 0.774 -2.475) 4.638 4.650 ( -0.018 2.928 -0.544) 2.979 4.888 ( -2.506 0.847 2.477) 3.624 5.113 ( 2.378 1.803 -1.084) 3.176 5.189 ( -0.125 1.100 -0.570) 1.246 5.338 ( -2.628 1.458 0.409) 3.032 5.424 ( -0.327 -1.116 1.087) 1.592 6.502 ( 10.165 3.744 1.759) 10.975 6.570 ( 12.776 10.202 0.801) 16.369 6.967 ( 0.652 -0.858 -1.982) 2.256 7.093 ( -0.003 -1.843 -1.709) 2.514 7.831 ( 2.335 -1.079 -0.711) 2.669 7.934 ( 1.778 -1.803 -2.842) 3.807 8.077 ( 1.771 3.920 -0.788) 4.373 8.232 ( -3.343 -0.516 5.648) 6.583 8.412 ( 1.140 -1.755 -1.046) 2.339 8.618 ( 0.605 -0.565 -4.735) 4.807 8.999 ( -1.284 -0.309 5.232) 5.396 9.154 ( -1.676 -0.692 -1.009) 2.075 9.301 ( -1.986 1.017 0.976) 2.435 9.461 ( 2.175 -1.278 -3.706) 4.483 9.703 ( -2.402 -0.458 3.350) 4.147 9.955 ( 1.487 1.145 -1.037) 2.144 10.025 ( -1.388 0.221 -0.526) 1.501 10.168 ( -2.796 -0.454 -0.971) 2.994 10.321 ( -0.586 0.621 2.811) 2.938 10.395 ( 1.032 1.285 -0.819) 1.840 ======================= Grid point 88 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -2.263 -0.695 -1.932) 3.056 1.160 ( 1.956 7.161 4.530) 8.696 1.284 ( 1.358 2.532 0.026) 2.873 1.632 ( 3.200 -2.999 -2.930) 5.274 1.759 ( 6.620 -0.057 3.277) 7.387 1.839 ( 1.100 1.156 1.301) 2.059 1.881 ( 5.318 1.517 -1.172) 5.653 1.986 ( 1.809 -0.511 -3.061) 3.592 2.026 ( -1.240 2.871 0.535) 3.173 2.079 ( 2.078 1.633 -3.915) 4.723 2.127 ( -3.208 0.529 -1.509) 3.584 2.208 ( -2.739 0.911 -0.379) 2.912 2.362 ( -4.210 -4.172 0.927) 5.999 2.443 ( -2.570 0.510 -4.079) 4.848 2.492 ( -0.828 -2.035 2.831) 3.584 2.590 ( -2.752 -2.124 4.957) 6.054 2.718 ( -3.832 6.058 4.099) 8.257 2.871 ( -4.527 1.228 4.532) 6.523 3.102 ( 0.606 -1.781 -2.270) 2.948 3.157 ( -4.893 1.253 -0.723) 5.102 3.259 ( 0.467 1.248 3.323) 3.580 3.567 ( 1.240 2.159 -14.611) 14.822 3.629 ( 5.357 -0.246 -2.834) 6.066 3.789 ( 0.683 -3.209 3.195) 4.579 3.915 ( 7.146 -5.507 4.174) 9.940 4.096 ( -5.884 -3.299 1.903) 7.009 4.299 ( 0.407 2.343 -1.996) 3.105 4.620 ( 5.109 -0.226 -2.609) 5.741 4.635 ( 2.401 0.712 3.289) 4.133 4.834 ( -5.212 1.067 2.096) 5.718 5.097 ( 0.331 1.150 -1.264) 1.740 5.169 ( -0.835 1.262 1.029) 1.829 5.297 ( -0.800 1.050 -0.356) 1.367 5.433 ( -0.640 -0.946 -1.428) 1.828 6.514 ( 11.479 11.485 1.257) 16.286 6.583 ( 6.660 3.325 3.483) 8.219 6.871 ( -7.482 6.323 -0.462) 9.807 7.093 ( -1.273 -1.487 -4.447) 4.859 7.861 ( 0.749 -0.159 -0.241) 0.802 7.990 ( 4.469 -1.639 -3.205) 5.739 8.051 ( 2.668 2.534 0.373) 3.699 8.238 ( -3.096 -2.009 6.300) 7.301 8.420 ( -1.024 -0.619 -5.775) 5.898 8.620 ( 1.132 -0.724 -5.374) 5.540 9.007 ( -1.519 -0.328 4.847) 5.090 9.168 ( 0.408 -1.717 2.923) 3.414 9.279 ( -0.445 0.379 -0.195) 0.616 9.491 ( 1.580 -0.958 -2.312) 2.960 9.722 ( 0.142 -2.098 2.921) 3.599 9.949 ( 1.620 1.240 -0.697) 2.156 9.993 ( -1.778 1.173 -0.705) 2.244 10.139 ( -2.745 -0.672 -2.434) 3.730 10.311 ( -1.245 0.629 3.001) 3.309 10.379 ( 0.247 1.354 -0.099) 1.380 ======================= Grid point 89 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -3.223 7.107 0.873) 7.852 1.103 ( 3.784 6.387 2.166) 7.733 1.323 ( 6.518 1.675 5.335) 8.588 1.626 ( -1.716 7.772 -3.778) 8.811 1.677 ( 0.075 8.295 0.842) 8.338 1.871 ( -4.084 -0.715 -3.661) 5.531 1.954 ( 6.270 -1.737 -3.312) 7.301 1.971 ( -3.031 -2.487 4.129) 5.694 2.037 ( 3.649 -2.110 -4.669) 6.290 2.053 ( 0.998 1.726 0.527) 2.062 2.109 ( -3.588 2.244 -1.556) 4.509 2.149 ( -2.953 -2.473 1.551) 4.152 2.271 ( 0.266 4.859 -0.884) 4.946 2.447 ( -2.251 -5.035 0.335) 5.526 2.527 ( -1.666 -1.600 5.849) 6.289 2.648 ( 0.517 -1.791 -0.536) 1.940 2.736 ( 2.451 -6.002 4.475) 7.877 2.880 ( -0.405 -3.236 3.180) 4.555 3.069 ( -3.445 1.479 3.418) 5.073 3.147 ( -0.555 -1.489 0.085) 1.591 3.251 ( 1.081 0.914 -2.601) 2.961 3.490 ( 3.102 2.978 -10.919) 11.735 3.675 ( 1.819 0.208 -1.409) 2.310 3.845 ( -2.479 -1.904 -2.228) 3.839 3.942 ( -1.073 -1.400 1.472) 2.298 4.172 ( 1.809 3.300 7.208) 8.131 4.254 ( 1.994 -1.828 -2.656) 3.791 4.621 ( 0.135 2.591 -1.648) 3.073 4.725 ( 4.663 -2.245 1.200) 5.313 4.774 ( -3.569 -1.165 1.275) 3.965 5.088 ( 0.268 -0.304 -0.188) 0.447 5.127 ( -2.487 1.888 0.939) 3.260 5.285 ( 0.490 0.482 0.384) 0.787 5.434 ( -0.349 -1.003 -3.083) 3.261 6.409 ( -0.081 11.959 4.094) 12.640 6.575 ( 0.182 5.896 5.455) 8.035 6.687 ( -0.129 7.333 -2.496) 7.747 7.085 ( 1.419 -0.239 -7.112) 7.256 7.854 ( -0.519 1.046 0.153) 1.178 8.022 ( 1.310 2.743 1.645) 3.457 8.059 ( 2.089 -0.955 -3.186) 3.928 8.267 ( -3.032 -3.090 4.708) 6.396 8.368 ( -0.547 1.511 -10.664) 10.784 8.632 ( 1.311 -1.474 -4.809) 5.198 9.009 ( -1.623 -0.099 4.222) 4.524 9.226 ( 0.208 -2.450 2.157) 3.271 9.287 ( 1.631 -1.227 3.341) 3.915 9.513 ( 0.374 -1.296 -0.440) 1.419 9.777 ( 0.366 -2.304 2.288) 3.267 9.946 ( -0.343 0.918 -1.522) 1.810 9.955 ( 1.049 1.389 1.074) 2.045 10.113 ( -0.855 -0.511 -4.533) 4.641 10.294 ( -2.109 0.509 3.266) 3.921 10.362 ( 0.181 1.053 0.488) 1.175 ======================= Grid point 90 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.514 9.055 2.252) 9.345 1.038 ( -1.118 9.109 6.887) 11.473 1.346 ( 6.503 8.552 0.795) 10.772 1.433 ( 0.345 5.367 3.026) 6.171 1.551 ( 1.235 7.744 0.411) 7.853 1.799 ( -5.380 -0.597 -6.124) 8.173 1.941 ( -2.944 4.388 -2.756) 5.960 1.993 ( -0.584 -0.136 2.621) 2.689 2.064 ( 3.378 -1.927 -4.100) 5.651 2.082 ( 0.559 -2.559 1.044) 2.820 2.105 ( -1.560 -3.618 1.756) 4.314 2.209 ( 2.293 -5.300 0.850) 5.837 2.280 ( 5.803 2.544 -0.583) 6.363 2.498 ( -2.265 -5.203 -1.179) 5.796 2.556 ( -2.087 -1.934 7.475) 7.998 2.692 ( 0.816 -3.305 -3.705) 5.032 2.841 ( 1.450 -0.131 3.920) 4.182 2.948 ( 2.544 -2.670 -0.461) 3.717 3.076 ( -2.550 -4.625 5.618) 7.710 3.131 ( -0.548 2.881 -0.636) 3.001 3.249 ( 0.073 -1.113 -1.963) 2.258 3.455 ( 3.807 3.142 -7.850) 9.273 3.640 ( 0.101 3.877 -0.592) 3.924 3.810 ( -3.813 -3.021 -4.826) 6.852 3.972 ( -3.984 -0.030 5.487) 6.781 4.161 ( 5.330 -0.677 -0.792) 5.431 4.330 ( 3.003 -0.970 3.626) 4.807 4.537 ( -2.894 2.528 -5.176) 6.447 4.735 ( -2.633 -0.921 1.744) 3.290 4.833 ( 2.793 -0.744 -1.351) 3.190 5.076 ( -2.157 1.209 1.501) 2.893 5.121 ( 1.269 -2.507 0.602) 2.874 5.288 ( 0.776 0.375 1.924) 2.109 5.438 ( 0.228 -1.217 -3.198) 3.429 6.200 ( -6.535 8.485 4.413) 11.583 6.429 ( -6.995 8.848 5.615) 12.600 6.636 ( 10.294 6.897 -2.697) 12.681 7.077 ( 5.525 2.959 -9.856) 11.680 7.817 ( -2.165 1.550 -0.660) 2.743 7.957 ( -3.848 2.863 1.385) 4.992 8.083 ( 1.663 -0.666 -3.747) 4.153 8.269 ( 3.412 2.067 -9.562) 10.360 8.341 ( -2.103 -2.299 3.039) 4.352 8.656 ( 1.061 -1.587 -3.944) 4.382 9.005 ( -1.680 0.194 4.111) 4.445 9.246 ( -0.074 -1.250 -3.073) 3.318 9.385 ( -0.098 -4.934 8.578) 9.897 9.545 ( -1.038 -2.900 1.550) 3.448 9.805 ( -2.095 -1.781 1.515) 3.139 9.925 ( 1.170 0.942 -0.381) 1.550 9.960 ( 2.002 0.615 -0.146) 2.100 10.112 ( 3.114 0.219 -4.742) 5.678 10.273 ( -2.069 0.354 2.536) 3.292 10.355 ( 0.287 0.610 1.483) 1.629 ======================= Grid point 94 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.524 -0.000 -2.123) 2.186 1.313 ( 10.661 -0.000 3.562) 11.240 1.470 ( 0.133 -0.000 5.261) 5.262 1.477 ( -1.004 0.000 1.723) 1.994 1.652 ( -1.414 0.000 -3.715) 3.975 1.830 ( -3.071 0.000 -0.875) 3.193 1.917 ( 6.343 -0.000 -0.974) 6.418 1.959 ( -0.578 0.000 -2.073) 2.152 2.051 ( -2.689 0.000 4.883) 5.575 2.073 ( 4.692 -0.000 1.158) 4.833 2.163 ( 2.336 -0.000 -6.077) 6.510 2.221 ( -5.105 0.000 -1.241) 5.253 2.373 ( -2.244 0.000 -0.611) 2.326 2.476 ( -4.657 0.000 -5.080) 6.891 2.487 ( 1.310 -0.000 -8.089) 8.195 2.821 ( 4.445 -0.000 9.883) 10.836 2.941 ( 4.577 -0.000 5.876) 7.448 3.015 ( 4.641 -0.000 -2.916) 5.481 3.039 ( -1.643 0.000 4.984) 5.248 3.174 ( -5.403 0.000 4.353) 6.939 3.232 ( 5.020 -0.000 -6.471) 8.190 3.281 ( 2.174 -0.000 3.180) 3.853 3.576 ( 0.829 -0.000 -1.136) 1.406 3.822 ( -7.805 0.000 -3.151) 8.417 3.941 ( -5.572 0.000 -9.415) 10.941 3.950 ( -2.780 0.000 2.575) 3.790 4.191 ( 0.350 -0.000 6.617) 6.626 4.592 ( 4.538 -0.000 -6.223) 7.702 4.726 ( -1.218 0.000 2.811) 3.064 4.896 ( -0.465 0.000 0.274) 0.540 5.157 ( 3.356 -0.000 -1.860) 3.837 5.211 ( 0.208 -0.000 -2.854) 2.861 5.367 ( -3.017 0.000 2.484) 3.908 5.398 ( -0.928 0.000 2.893) 3.038 6.555 ( 5.234 -0.000 4.037) 6.610 6.856 ( 9.035 -0.000 -5.007) 10.330 6.949 ( 11.571 -0.000 1.512) 11.670 6.960 ( 6.145 -0.000 -2.000) 6.463 7.827 ( -0.181 0.000 0.348) 0.392 7.881 ( 0.951 -0.000 -3.503) 3.630 8.165 ( -0.161 0.000 -0.669) 0.688 8.226 ( -5.232 0.000 5.923) 7.903 8.365 ( 2.198 -0.000 -1.045) 2.433 8.607 ( 0.748 -0.000 -4.978) 5.034 8.995 ( -1.147 0.000 5.091) 5.218 9.142 ( -1.860 0.000 -1.864) 2.634 9.329 ( -3.709 0.000 2.911) 4.715 9.429 ( 2.781 -0.000 -5.343) 6.024 9.698 ( -4.248 0.000 4.487) 6.179 9.981 ( 2.149 -0.000 -0.705) 2.262 10.020 ( -0.087 0.000 -1.036) 1.040 10.161 ( -3.327 0.000 -0.509) 3.366 10.330 ( -0.731 0.000 2.807) 2.901 10.424 ( 1.728 -0.000 -2.165) 2.770 ======================= Grid point 95 (44/93) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 4.308 -5.841 4.118) 8.345 1.386 ( 3.126 5.215 8.606) 10.537 1.420 ( -2.594 4.303 -3.019) 5.861 1.500 ( 1.433 -3.040 -2.483) 4.178 1.648 ( 3.569 -1.710 4.351) 5.882 1.830 ( -6.575 -5.557 -0.604) 8.630 1.935 ( -1.061 2.917 0.814) 3.209 1.998 ( 5.709 -2.723 -2.593) 6.836 2.036 ( 4.418 2.339 0.673) 5.044 2.090 ( -0.062 0.963 -2.675) 2.844 2.179 ( -1.110 -1.579 -0.473) 1.987 2.219 ( 1.582 -1.906 -1.519) 2.906 2.304 ( -5.707 1.443 -4.200) 7.231 2.420 ( -0.299 1.032 0.694) 1.279 2.463 ( 1.443 1.563 -7.383) 7.684 2.789 ( 2.334 8.757 3.558) 9.736 2.929 ( -1.353 2.657 -3.024) 4.246 2.989 ( -4.205 4.863 3.039) 7.111 3.057 ( -0.931 1.973 -1.002) 2.401 3.150 ( -5.051 -3.035 6.138) 8.509 3.263 ( -2.258 -1.067 5.288) 5.848 3.491 ( 12.572 -9.116 -1.139) 15.570 3.568 ( 5.133 -0.482 -3.036) 5.983 3.704 ( -4.751 -0.862 -2.638) 5.502 3.821 ( -3.553 2.563 -7.808) 8.953 3.983 ( -4.551 -4.290 0.916) 6.321 4.271 ( 1.882 -2.958 9.306) 9.944 4.625 ( 5.337 0.407 -5.052) 7.360 4.696 ( -0.957 2.387 2.124) 3.336 4.882 ( -2.152 1.142 1.808) 3.034 5.156 ( 1.079 1.916 -3.031) 3.744 5.206 ( 0.950 0.202 -2.338) 2.532 5.340 ( -1.638 1.369 2.307) 3.143 5.399 ( -1.769 -0.920 1.022) 2.240 6.610 ( 3.187 0.026 3.490) 4.727 6.868 ( 8.176 7.075 -2.388) 11.073 6.971 ( 3.934 1.943 -1.845) 4.760 7.084 ( 1.118 -0.387 0.243) 1.208 7.831 ( 0.495 -0.933 0.302) 1.099 7.907 ( 2.316 -2.433 -3.038) 4.529 8.140 ( 0.345 2.159 0.034) 2.187 8.194 ( -5.163 -0.998 5.967) 7.953 8.386 ( 0.471 -0.848 -3.386) 3.522 8.603 ( 1.300 -0.372 -5.186) 5.359 9.001 ( -1.230 -0.055 5.291) 5.433 9.131 ( -0.038 -0.578 0.236) 0.625 9.297 ( -2.149 0.510 1.205) 2.516 9.456 ( 3.326 -0.988 -4.603) 5.764 9.676 ( -3.063 -0.599 5.355) 6.198 9.992 ( 2.193 1.155 -1.266) 2.783 10.020 ( 0.155 0.201 -0.740) 0.782 10.121 ( -3.413 -0.299 -1.259) 3.650 10.328 ( -1.074 0.294 2.484) 2.722 10.424 ( 1.116 1.008 -1.516) 2.135 ======================= Grid point 96 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 4.643 -3.043 5.030) 7.491 1.286 ( -3.615 2.955 -1.874) 5.031 1.361 ( 4.487 6.634 6.121) 10.080 1.573 ( 0.699 -4.816 0.378) 4.881 1.781 ( 5.833 -4.733 1.879) 7.743 1.836 ( -6.495 -4.114 -1.042) 7.759 1.889 ( 0.191 1.302 0.677) 1.480 2.003 ( -3.309 3.141 1.179) 4.712 2.067 ( 1.651 -0.068 -2.874) 3.315 2.085 ( -0.306 2.336 -2.026) 3.107 2.165 ( 3.159 0.928 -3.267) 4.638 2.224 ( 0.356 2.256 -2.992) 3.764 2.249 ( -2.146 -2.322 -2.650) 4.126 2.425 ( -0.210 -0.276 -2.406) 2.431 2.454 ( 1.716 -1.810 2.176) 3.310 2.640 ( -2.434 8.160 1.232) 8.603 2.821 ( -1.939 7.208 4.066) 8.500 2.888 ( 0.016 4.591 3.445) 5.740 3.049 ( 0.140 -2.529 -3.684) 4.471 3.104 ( -6.278 -0.712 -2.102) 6.659 3.277 ( -0.933 -0.876 3.815) 4.023 3.558 ( 2.724 0.291 -6.862) 7.389 3.691 ( 2.781 -0.245 -1.365) 3.107 3.723 ( -6.509 -2.553 -3.712) 7.915 3.854 ( 6.763 -6.392 1.035) 9.363 4.038 ( 3.003 -6.383 3.980) 8.099 4.327 ( -0.564 1.321 5.249) 5.441 4.653 ( 2.605 -0.230 -2.419) 3.562 4.688 ( 3.080 0.873 1.585) 3.573 4.816 ( -4.161 3.054 2.099) 5.572 5.116 ( -0.531 1.941 -2.262) 3.027 5.197 ( 0.352 1.553 -0.525) 1.677 5.311 ( -0.027 1.407 0.935) 1.690 5.394 ( -1.860 -1.392 -1.637) 2.842 6.648 ( -0.740 -0.422 3.710) 3.806 6.785 ( -0.870 10.015 0.235) 10.056 6.926 ( 2.248 6.881 -0.331) 7.246 7.060 ( 0.059 -0.192 -3.485) 3.491 7.855 ( -0.230 -1.117 0.339) 1.189 7.986 ( 4.588 -3.046 -3.256) 6.398 8.122 ( 1.365 2.244 1.115) 2.853 8.176 ( -5.931 -2.106 5.799) 8.558 8.375 ( -0.957 -0.409 -5.279) 5.381 8.605 ( 1.364 -0.372 -5.758) 5.929 9.006 ( -1.363 -0.034 5.146) 5.324 9.162 ( 1.473 -1.413 2.041) 2.886 9.278 ( -0.875 0.014 0.588) 1.054 9.488 ( 2.305 -0.589 -3.810) 4.492 9.695 ( -0.883 -2.056 5.556) 5.989 9.991 ( 2.248 1.534 -1.338) 3.032 10.003 ( -0.245 1.353 0.004) 1.375 10.089 ( -1.945 -0.728 -3.113) 3.742 10.315 ( -1.495 0.593 2.338) 2.838 10.409 ( 0.723 1.586 -0.713) 1.883 ======================= Grid point 97 (46/93) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -1.035 5.599 -0.141) 5.695 1.299 ( 6.971 7.536 2.642) 10.601 1.356 ( 2.413 -4.802 5.158) 7.449 1.640 ( -2.150 -0.358 0.234) 2.192 1.780 ( -9.101 -0.741 -4.040) 9.985 1.836 ( -0.727 7.227 -2.103) 7.562 1.889 ( -1.760 -0.476 -0.677) 1.945 1.924 ( 0.862 -2.992 -0.596) 3.170 2.013 ( -6.941 -1.562 1.941) 7.375 2.078 ( -3.553 3.487 -1.238) 5.129 2.108 ( 4.861 0.506 -0.084) 4.888 2.163 ( 0.762 2.835 -2.695) 3.985 2.312 ( 2.160 -4.263 -2.908) 5.594 2.448 ( 7.169 1.801 -2.181) 7.706 2.501 ( -1.556 -0.948 5.189) 5.500 2.623 ( 4.360 -2.368 1.809) 5.281 2.731 ( -1.625 2.264 7.219) 7.738 2.882 ( 3.994 0.449 2.599) 4.786 3.043 ( -3.851 -0.260 -3.192) 5.008 3.100 ( 1.330 -3.974 -3.160) 5.249 3.287 ( 0.108 0.849 1.803) 1.996 3.529 ( 2.738 1.943 -8.277) 8.932 3.664 ( -6.668 -2.785 -2.341) 7.596 3.755 ( 0.974 -0.491 -0.556) 1.224 3.931 ( 1.504 -1.328 5.115) 5.495 4.198 ( -0.942 -3.203 -6.570) 7.369 4.301 ( 4.533 2.508 9.306) 10.650 4.663 ( -1.657 3.938 -3.937) 5.810 4.711 ( -0.744 -2.950 3.630) 4.736 4.757 ( 2.254 0.650 1.066) 2.577 5.076 ( -1.714 0.317 -0.682) 1.871 5.163 ( 0.279 2.913 0.496) 2.968 5.302 ( 0.666 0.554 0.347) 0.933 5.397 ( -0.412 -1.711 -2.930) 3.418 6.524 ( -11.944 11.179 1.518) 16.430 6.603 ( -8.218 2.022 4.094) 9.401 6.869 ( 8.338 7.518 -0.451) 11.236 7.085 ( 4.060 -1.451 -4.969) 6.579 7.856 ( -1.053 0.313 0.112) 1.105 8.053 ( 2.892 -1.262 -3.648) 4.823 8.059 ( -5.738 2.879 0.922) 6.485 8.202 ( -1.130 -3.236 5.611) 6.575 8.347 ( -0.024 0.397 -5.887) 5.900 8.612 ( 1.892 -0.900 -5.188) 5.595 9.008 ( -1.463 0.063 4.919) 5.132 9.207 ( 1.001 -1.258 0.467) 1.674 9.288 ( 0.045 -1.492 2.615) 3.011 9.499 ( 0.727 -0.325 -2.491) 2.615 9.741 ( -1.205 -2.023 3.952) 4.600 9.968 ( -0.582 1.537 -0.212) 1.657 9.996 ( 2.199 1.415 -0.184) 2.621 10.090 ( 2.602 -1.270 -4.512) 5.361 10.292 ( -2.050 0.815 2.277) 3.171 10.389 ( 0.456 1.531 0.437) 1.656 ======================= Grid point 98 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.241 5.411 0.889) 5.489 1.210 ( -1.237 10.125 4.825) 11.284 1.453 ( -1.808 2.160 -4.887) 5.641 1.540 ( 6.385 1.198 4.620) 7.972 1.663 ( -2.624 5.135 -6.162) 8.439 1.741 ( -2.786 1.246 -3.211) 4.430 1.876 ( -3.094 -0.884 1.421) 3.518 1.937 ( -4.318 -2.312 -2.452) 5.477 2.014 ( -3.796 -3.293 2.049) 5.427 2.041 ( -0.602 -1.262 1.249) 1.875 2.137 ( 4.963 0.815 -1.162) 5.162 2.201 ( 4.656 -1.623 1.756) 5.234 2.355 ( -0.972 -0.793 -0.826) 1.502 2.479 ( 4.000 2.566 3.107) 5.678 2.533 ( 1.870 -1.549 1.581) 2.897 2.653 ( 0.901 -0.291 -2.560) 2.729 2.824 ( 0.549 -6.265 6.743) 9.220 2.966 ( 5.890 -0.259 3.175) 6.697 3.015 ( -0.652 -2.508 -1.130) 2.827 3.162 ( 1.548 -1.185 -0.812) 2.112 3.260 ( 0.809 2.715 0.280) 2.847 3.505 ( 0.489 0.924 -6.000) 6.090 3.638 ( -6.052 -4.260 -7.389) 10.458 3.729 ( 2.279 4.013 3.373) 5.716 3.971 ( -1.284 0.610 4.876) 5.079 4.163 ( -1.407 -1.801 -4.738) 5.261 4.353 ( 1.175 1.056 2.099) 2.627 4.557 ( -0.995 3.322 -1.937) 3.972 4.700 ( -3.558 0.206 1.379) 3.822 4.833 ( 2.907 -1.811 -0.513) 3.463 5.067 ( -1.181 -0.825 -0.056) 1.442 5.131 ( 1.442 1.631 1.945) 2.919 5.309 ( 0.724 -0.155 0.626) 0.969 5.414 ( 0.793 -1.207 -2.369) 2.774 6.244 ( -9.491 7.539 1.727) 12.243 6.445 ( -10.765 4.575 3.103) 12.102 6.861 ( 9.491 6.185 -0.756) 11.353 7.138 ( 5.400 -0.058 -5.338) 7.593 7.814 ( -2.495 2.143 -1.332) 3.548 7.951 ( -4.941 1.578 0.869) 5.259 8.074 ( 0.927 -0.493 -3.761) 3.905 8.266 ( -0.526 -2.874 5.931) 6.611 8.322 ( 1.229 1.172 -5.024) 5.303 8.635 ( 1.769 -1.190 -4.175) 4.688 9.006 ( -1.619 0.252 4.855) 5.124 9.224 ( 0.530 -0.551 -2.084) 2.220 9.341 ( -1.040 -3.276 4.905) 5.989 9.501 ( -0.734 -0.821 -2.038) 2.317 9.750 ( -2.806 -1.100 1.519) 3.375 9.941 ( -0.730 0.624 -0.275) 0.999 10.005 ( 3.342 0.836 -0.288) 3.457 10.144 ( 5.199 -0.640 -3.706) 6.417 10.264 ( -1.985 0.382 1.981) 2.830 10.378 ( 0.275 0.939 2.092) 2.310 ======================= Grid point 103 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 8.212 -0.000 12.263) 14.758 1.386 ( -6.040 0.000 -3.242) 6.855 1.429 ( -4.817 0.000 6.301) 7.931 1.574 ( 9.927 -0.000 -3.877) 10.657 1.679 ( 2.554 -0.000 3.708) 4.503 1.692 ( -5.315 0.000 2.363) 5.816 1.963 ( -1.853 0.000 -2.458) 3.079 1.986 ( 0.592 -0.000 1.076) 1.228 2.083 ( -3.438 0.000 -1.424) 3.721 2.098 ( -0.411 0.000 -4.520) 4.539 2.130 ( 3.342 -0.000 3.371) 4.747 2.214 ( 1.828 -0.000 -3.155) 3.647 2.298 ( 2.552 -0.000 -1.994) 3.239 2.430 ( 0.501 -0.000 -0.412) 0.649 2.479 ( 3.428 -0.000 -7.932) 8.641 2.848 ( -6.450 0.000 1.120) 6.546 2.886 ( -2.954 0.000 -11.706) 12.073 3.008 ( -6.663 0.000 -4.410) 7.990 3.083 ( -0.292 0.000 12.213) 12.217 3.138 ( 0.609 -0.000 5.127) 5.163 3.234 ( -2.314 0.000 6.039) 6.467 3.515 ( -6.438 0.000 -4.184) 7.678 3.608 ( 1.923 -0.000 -0.902) 2.124 3.621 ( 15.678 -0.000 2.036) 15.809 3.851 ( 1.363 -0.000 -8.154) 8.267 3.861 ( -4.523 0.000 -2.289) 5.069 4.319 ( 2.527 -0.000 13.028) 13.271 4.678 ( 6.105 -0.000 -4.344) 7.493 4.703 ( -2.010 0.000 1.476) 2.493 4.880 ( -1.853 0.000 1.546) 2.413 5.168 ( -0.439 0.000 -3.758) 3.784 5.200 ( 0.694 -0.000 -2.901) 2.982 5.351 ( -0.614 0.000 3.256) 3.313 5.368 ( -2.619 0.000 0.268) 2.632 6.625 ( -1.601 0.000 3.387) 3.747 6.925 ( 1.696 -0.000 -5.750) 5.995 7.075 ( 1.878 -0.000 2.094) 2.812 7.088 ( -0.968 0.000 0.015) 0.968 7.820 ( -0.380 0.000 0.348) 0.515 7.912 ( 4.559 -0.000 -2.461) 5.180 8.136 ( -5.614 0.000 5.245) 7.683 8.163 ( 0.395 -0.000 -0.080) 0.403 8.369 ( -0.672 0.000 -3.557) 3.620 8.598 ( 1.687 -0.000 -5.233) 5.498 9.006 ( -1.319 0.000 5.470) 5.627 9.139 ( 1.740 -0.000 1.070) 2.043 9.277 ( -2.066 0.000 0.298) 2.088 9.475 ( 4.051 -0.000 -4.726) 6.224 9.665 ( -1.799 0.000 7.045) 7.271 10.022 ( 1.720 -0.000 -1.471) 2.263 10.026 ( 0.908 -0.000 -0.133) 0.918 10.075 ( -2.586 0.000 -2.388) 3.520 10.325 ( -1.339 0.000 1.990) 2.399 10.439 ( 0.914 -0.000 -1.323) 1.608 ======================= Grid point 104 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 5.422 -3.006 11.935) 13.449 1.263 ( -4.939 4.698 -3.088) 7.483 1.442 ( -2.634 -4.518 6.890) 8.650 1.566 ( -0.114 1.842 -4.580) 4.938 1.695 ( -1.911 -0.905 1.772) 2.759 1.790 ( 6.606 -3.331 0.721) 7.433 1.910 ( -1.884 1.337 -1.562) 2.789 1.971 ( -5.011 0.057 -0.249) 5.017 2.040 ( -2.451 0.549 1.089) 2.737 2.105 ( -3.062 -4.514 -1.035) 5.552 2.175 ( 6.221 2.301 0.102) 6.633 2.236 ( 6.224 1.804 -4.276) 7.764 2.301 ( -0.944 4.423 -4.839) 6.623 2.404 ( -2.560 -0.212 2.343) 3.477 2.485 ( 3.831 1.304 -4.519) 6.067 2.708 ( -3.017 3.583 -0.675) 4.733 2.842 ( -3.399 -1.740 -7.110) 8.071 2.948 ( -6.796 -3.963 -5.930) 9.852 3.031 ( -2.910 4.785 7.127) 9.064 3.111 ( 4.972 8.518 6.555) 11.842 3.254 ( -1.785 -1.272 4.859) 5.330 3.488 ( -5.171 -5.795 -4.318) 8.886 3.627 ( 1.859 -0.130 -0.421) 1.910 3.716 ( -0.576 2.434 -1.109) 2.736 3.905 ( 2.349 -2.550 -3.317) 4.798 3.940 ( 12.022 -8.968 -1.009) 15.032 4.383 ( 1.193 0.912 10.903) 11.006 4.667 ( -0.535 1.785 -0.185) 1.873 4.738 ( 4.446 -0.411 -1.306) 4.652 4.838 ( -2.222 2.533 0.437) 3.398 5.118 ( -2.802 1.652 -3.590) 4.845 5.203 ( 0.097 -0.301 -1.422) 1.457 5.341 ( -2.500 -0.211 -0.682) 2.600 5.352 ( 0.923 0.820 2.096) 2.433 6.605 ( -5.759 -0.633 3.119) 6.580 6.852 ( -6.408 7.161 -2.357) 9.894 7.035 ( -2.495 -0.436 -2.410) 3.496 7.060 ( 0.304 2.779 1.572) 3.208 7.829 ( -0.296 -1.203 0.179) 1.252 7.989 ( 6.009 -2.158 -2.973) 7.043 8.097 ( -6.112 -0.491 3.276) 6.952 8.163 ( 0.918 0.773 1.673) 2.058 8.345 ( -1.412 -0.265 -2.564) 2.939 8.600 ( 1.984 -0.039 -5.449) 5.799 9.010 ( -1.469 0.030 5.315) 5.515 9.174 ( 2.603 -0.591 1.176) 2.916 9.260 ( -1.493 -0.465 -0.211) 1.578 9.501 ( 3.045 0.129 -4.300) 5.271 9.692 ( 0.421 -0.870 7.555) 7.616 10.007 ( -2.404 0.760 -0.166) 2.527 10.034 ( 1.737 0.619 0.127) 1.848 10.063 ( 2.102 -0.241 -4.588) 5.052 10.312 ( -1.688 0.309 1.680) 2.401 10.436 ( 0.802 1.005 -0.727) 1.477 ======================= Grid point 105 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -4.489 3.349 -2.331) 6.067 1.279 ( -0.460 -4.569 5.832) 7.423 1.490 ( -0.003 4.754 -0.242) 4.760 1.556 ( -3.393 -7.620 3.015) 8.870 1.652 ( -4.876 1.976 -0.226) 5.266 1.848 ( 0.519 1.157 -6.597) 6.718 1.887 ( -9.227 2.020 -0.374) 9.453 1.905 ( 1.373 -1.156 1.453) 2.309 1.986 ( -0.546 4.117 5.282) 6.720 2.068 ( -5.198 2.452 -4.212) 7.125 2.165 ( -0.777 -1.492 -1.087) 2.003 2.206 ( 6.456 3.524 -1.079) 7.434 2.292 ( 5.505 -1.656 -3.016) 6.492 2.476 ( 3.570 -3.524 2.995) 5.842 2.498 ( 1.771 -0.530 1.283) 2.250 2.711 ( 6.292 0.057 -5.406) 8.296 2.788 ( -1.805 3.582 3.694) 5.453 2.928 ( -5.047 -4.297 -4.779) 8.172 2.999 ( 1.466 0.129 2.172) 2.623 3.073 ( 4.205 3.648 3.266) 6.455 3.249 ( -5.040 -1.294 1.886) 5.535 3.489 ( -1.765 -1.754 -3.392) 4.207 3.631 ( 3.112 2.959 -2.025) 4.748 3.749 ( 0.865 -4.574 2.514) 5.290 3.928 ( -2.539 -2.626 -1.330) 3.887 4.140 ( 5.444 -1.092 -3.190) 6.403 4.404 ( 2.201 1.851 5.713) 6.396 4.653 ( -0.786 0.156 2.366) 2.498 4.739 ( -0.491 3.381 -0.328) 3.432 4.795 ( 2.156 0.932 -2.017) 3.096 5.050 ( -3.512 0.215 -1.243) 3.732 5.199 ( 0.147 0.616 0.216) 0.669 5.309 ( -2.012 0.372 -1.019) 2.286 5.373 ( 2.380 -0.493 0.108) 2.433 6.517 ( -10.926 1.790 2.519) 11.354 6.560 ( -13.805 10.531 -0.039) 17.363 7.021 ( 0.405 2.828 0.909) 2.998 7.069 ( 2.784 -3.575 -3.780) 5.901 7.844 ( -0.300 -0.747 -0.106) 0.812 8.004 ( -7.721 1.805 -1.005) 7.992 8.057 ( 2.987 -0.436 -3.314) 4.482 8.198 ( 1.793 -1.277 5.659) 6.072 8.333 ( -0.480 -0.446 -1.590) 1.720 8.609 ( 2.579 -0.355 -5.059) 5.689 9.011 ( -1.586 0.049 5.004) 5.250 9.213 ( 2.026 -0.294 -0.475) 2.101 9.261 ( -1.019 -1.591 0.880) 2.084 9.506 ( 1.686 0.743 -3.048) 3.561 9.735 ( 0.335 -0.120 5.208) 5.220 9.965 ( -2.383 0.692 -0.521) 2.535 10.045 ( 2.383 1.090 -0.049) 2.621 10.096 ( 4.646 -1.447 -3.638) 6.075 10.288 ( -2.145 0.710 1.476) 2.698 10.421 ( 0.499 1.606 0.471) 1.747 ======================= Grid point 106 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -4.358 3.151 0.595) 5.411 1.252 ( -12.862 2.587 2.819) 13.419 1.405 ( -3.069 -4.583 -9.670) 11.132 1.600 ( 1.951 1.920 4.189) 5.004 1.661 ( 2.311 -3.603 2.755) 5.091 1.701 ( -5.686 4.583 -8.624) 11.301 1.826 ( -1.789 -1.488 -2.608) 3.495 1.925 ( -1.800 -0.500 3.639) 4.091 1.964 ( 1.333 3.112 1.106) 3.562 2.034 ( 0.636 -0.901 2.400) 2.641 2.192 ( 2.832 0.071 -3.908) 4.827 2.228 ( 3.629 0.184 0.602) 3.683 2.358 ( 2.454 -0.188 2.956) 3.846 2.501 ( -0.365 0.330 1.477) 1.557 2.593 ( 3.922 -0.903 0.874) 4.119 2.695 ( -0.154 3.484 1.596) 3.835 2.808 ( 5.302 -0.924 1.994) 5.739 2.934 ( -3.435 -4.143 -2.945) 6.135 3.053 ( 6.191 -0.254 2.682) 6.752 3.136 ( 2.189 -5.481 -1.321) 6.048 3.207 ( -8.076 -2.765 0.671) 8.562 3.480 ( 2.731 2.894 -2.096) 4.498 3.613 ( 2.690 2.054 -3.675) 4.996 3.813 ( 0.983 0.323 4.331) 4.453 3.931 ( -6.174 -3.952 -0.373) 7.340 4.124 ( 1.881 3.101 -4.004) 5.403 4.407 ( 1.810 2.514 0.683) 3.172 4.578 ( -4.066 3.602 -2.474) 5.969 4.679 ( -3.140 2.133 -0.513) 3.830 4.851 ( 4.189 -2.020 1.462) 4.875 5.036 ( -0.843 -1.323 0.605) 1.682 5.186 ( 0.542 1.976 1.514) 2.548 5.293 ( -1.089 -1.282 -0.534) 1.765 5.410 ( 2.303 -0.597 -0.635) 2.463 6.249 ( -10.862 7.183 0.497) 13.031 6.379 ( -10.247 1.713 1.418) 10.485 6.992 ( 0.471 1.591 0.165) 1.668 7.150 ( 3.864 -2.610 -3.863) 6.055 7.826 ( -0.791 2.336 -2.079) 3.226 7.902 ( -5.150 -0.351 1.031) 5.264 8.066 ( 0.979 0.304 -3.894) 4.027 8.254 ( 0.106 -0.905 5.606) 5.680 8.340 ( 1.814 -0.269 -0.743) 1.978 8.629 ( 2.378 -0.543 -4.180) 4.839 9.009 ( -1.633 0.129 4.932) 5.197 9.222 ( 0.545 0.109 -1.802) 1.886 9.292 ( -0.874 -2.426 1.672) 3.074 9.496 ( 0.953 1.040 -2.574) 2.935 9.734 ( -0.925 0.993 2.149) 2.541 9.933 ( -1.252 0.247 -1.067) 1.663 10.053 ( 2.118 1.170 0.333) 2.442 10.174 ( 5.128 -1.571 -2.615) 5.966 10.254 ( -2.251 0.568 1.387) 2.705 10.405 ( -0.096 1.277 2.350) 2.676 ======================= Grid point 112 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -8.095 0.000 4.588) 9.305 1.318 ( -11.155 0.000 5.982) 12.658 1.378 ( 9.097 -0.000 5.163) 10.460 1.467 ( -5.767 0.000 -9.801) 11.371 1.758 ( 0.207 -0.000 1.258) 1.275 1.856 ( 7.925 -0.000 0.149) 7.926 1.887 ( -0.767 0.000 1.301) 1.511 1.913 ( -3.936 0.000 -0.050) 3.936 2.015 ( -1.552 0.000 -1.363) 2.066 2.068 ( 1.216 -0.000 4.756) 4.909 2.281 ( -8.817 0.000 -6.064) 10.702 2.281 ( 7.205 -0.000 0.337) 7.212 2.318 ( 6.784 -0.000 -4.557) 8.172 2.391 ( -0.583 0.000 4.671) 4.708 2.530 ( 5.004 -0.000 -4.939) 7.031 2.581 ( -14.954 0.000 -10.136) 18.065 2.779 ( 1.184 -0.000 4.862) 5.005 2.853 ( -0.708 0.000 -10.116) 10.141 3.038 ( -7.288 0.000 8.196) 10.967 3.215 ( -3.143 0.000 3.872) 4.987 3.338 ( 8.862 -0.000 9.151) 12.739 3.379 ( -1.357 0.000 -1.799) 2.253 3.617 ( -1.371 0.000 -0.069) 1.373 3.780 ( 1.748 -0.000 -7.030) 7.244 3.789 ( -0.734 0.000 -2.253) 2.369 4.081 ( 16.659 -0.000 -0.482) 16.666 4.434 ( -0.306 0.000 8.125) 8.131 4.700 ( 1.535 -0.000 3.875) 4.168 4.756 ( 1.259 -0.000 -2.403) 2.713 4.834 ( -0.795 0.000 -3.323) 3.417 5.068 ( -5.633 0.000 -4.665) 7.314 5.196 ( -0.250 0.000 0.171) 0.303 5.303 ( -2.313 0.000 -1.329) 2.667 5.389 ( 1.669 -0.000 3.090) 3.512 6.535 ( -8.016 0.000 3.033) 8.571 6.878 ( -2.321 0.000 -4.080) 4.694 6.923 ( -12.000 0.000 -0.012) 12.000 7.031 ( -6.567 0.000 0.593) 6.594 7.823 ( 0.454 -0.000 -0.071) 0.460 8.031 ( 2.444 -0.000 -5.308) 5.844 8.055 ( 0.037 -0.000 4.042) 4.042 8.182 ( 0.659 -0.000 1.291) 1.449 8.316 ( -2.099 0.000 0.388) 2.134 8.605 ( 2.436 -0.000 -5.502) 6.017 9.011 ( -1.622 0.000 4.961) 5.220 9.206 ( 3.072 -0.000 0.280) 3.085 9.237 ( -1.326 0.000 -0.775) 1.536 9.522 ( 2.728 -0.000 -3.353) 4.322 9.732 ( 2.457 -0.000 7.862) 8.237 9.977 ( -2.945 0.000 -0.795) 3.050 10.055 ( 1.211 -0.000 1.090) 1.629 10.083 ( 3.899 -0.000 -4.854) 6.226 10.298 ( -2.037 0.000 1.193) 2.361 10.453 ( 1.046 -0.000 -0.495) 1.157 ======================= Grid point 113 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -9.555 -1.204 0.366) 9.638 1.197 ( -14.026 -2.860 1.930) 14.444 1.364 ( -7.771 0.833 -7.902) 11.114 1.530 ( 4.628 -3.292 6.821) 8.876 1.688 ( -5.171 2.290 0.768) 5.707 1.856 ( -0.469 1.234 -2.446) 2.780 1.862 ( -3.297 5.438 0.466) 6.376 1.945 ( 0.247 3.062 -3.506) 4.661 1.991 ( -0.700 -1.311 3.456) 3.762 2.094 ( 1.816 2.318 3.565) 4.624 2.125 ( -0.742 -1.409 1.164) 1.972 2.328 ( 4.706 2.905 1.123) 5.643 2.349 ( 6.225 1.816 -5.621) 8.581 2.443 ( 0.581 -5.209 -0.694) 5.287 2.524 ( -6.036 -6.246 -1.320) 8.785 2.571 ( 2.090 -3.326 -5.804) 7.008 2.821 ( 2.586 -0.330 -4.433) 5.143 2.845 ( 1.487 -1.748 -0.143) 2.300 2.981 ( -3.740 0.684 5.951) 7.062 3.166 ( -3.112 2.224 1.240) 4.021 3.314 ( 2.788 6.526 5.153) 8.770 3.493 ( 6.236 -1.470 5.091) 8.183 3.649 ( -1.771 -5.963 -1.245) 6.344 3.715 ( 1.977 3.729 -2.575) 4.944 3.832 ( -0.845 -2.901 -3.445) 4.583 4.227 ( 7.455 1.318 -3.329) 8.271 4.458 ( 2.565 -0.048 3.719) 4.518 4.685 ( -0.964 3.177 1.540) 3.660 4.764 ( -0.719 0.878 -0.142) 1.144 4.814 ( 1.117 0.519 -4.951) 5.102 4.991 ( -4.281 -1.188 -1.420) 4.664 5.197 ( -0.649 -0.323 1.567) 1.727 5.276 ( -1.924 -0.201 -1.579) 2.497 5.414 ( 2.098 0.535 2.032) 2.970 6.428 ( -10.668 1.507 2.695) 11.106 6.585 ( -14.496 13.170 -0.489) 19.591 6.958 ( -6.525 -2.689 -3.161) 7.733 6.984 ( -3.192 -8.558 -0.581) 9.152 7.832 ( 0.226 -0.561 -0.059) 0.608 7.964 ( -5.155 2.614 -1.840) 6.065 8.096 ( 4.187 1.504 -2.648) 5.178 8.215 ( 1.868 -1.993 3.218) 4.221 8.309 ( -1.315 -0.872 1.744) 2.352 8.617 ( 2.925 -0.232 -5.163) 5.939 9.010 ( -1.587 -0.006 4.427) 4.702 9.223 ( -0.793 -0.189 -0.754) 1.111 9.243 ( 2.352 -0.562 -0.686) 2.514 9.534 ( 2.028 0.875 -1.555) 2.700 9.782 ( 2.575 1.303 5.543) 6.250 9.942 ( -2.180 0.213 -0.913) 2.373 10.076 ( 1.384 -0.083 1.410) 1.977 10.119 ( 4.813 -0.899 -4.049) 6.354 10.274 ( -2.473 0.307 0.777) 2.610 10.454 ( 0.968 1.267 0.337) 1.629 ======================= Grid point 114 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -12.786 -1.100 2.704) 13.115 1.127 ( -14.343 -8.838 -2.817) 17.081 1.168 ( -10.345 2.540 -5.102) 11.811 1.606 ( -4.993 -1.091 -0.737) 5.164 1.651 ( -1.970 -1.980 -0.551) 2.847 1.709 ( 1.676 2.613 4.247) 5.261 1.834 ( 2.932 1.829 -5.102) 6.161 1.925 ( 1.229 1.001 1.430) 2.135 2.044 ( 0.888 1.508 3.137) 3.593 2.078 ( 3.402 2.951 4.885) 6.644 2.175 ( 1.578 -1.746 -2.833) 3.683 2.312 ( 3.426 3.640 -2.154) 5.443 2.395 ( 3.497 -0.678 1.755) 3.971 2.512 ( -3.223 -3.385 -3.975) 6.136 2.572 ( 2.059 -4.687 -0.292) 5.127 2.642 ( -2.674 -6.258 -1.820) 7.044 2.784 ( -2.291 3.000 2.348) 4.446 2.928 ( 3.917 -2.055 0.552) 4.458 2.999 ( 0.851 -2.357 1.404) 2.873 3.119 ( 0.723 0.809 -0.743) 1.315 3.261 ( 2.306 5.810 6.032) 8.686 3.588 ( 7.495 1.070 2.979) 8.136 3.655 ( -0.140 1.423 -4.039) 4.285 3.717 ( -5.036 -4.753 -4.681) 8.359 3.860 ( 0.884 -1.140 3.276) 3.579 4.203 ( 1.666 3.037 -4.020) 5.307 4.484 ( 1.878 4.237 1.224) 4.794 4.563 ( -5.592 3.740 -6.331) 9.238 4.692 ( -2.649 3.854 -2.117) 5.133 4.854 ( 2.776 -3.310 1.830) 4.692 5.013 ( 0.417 -1.862 1.691) 2.549 5.202 ( -0.432 -0.163 0.777) 0.904 5.258 ( -1.513 -0.811 0.458) 1.776 5.438 ( 2.261 0.231 0.718) 2.383 6.236 ( -12.836 8.012 -0.048) 15.131 6.294 ( -8.773 0.961 1.463) 8.946 6.911 ( -8.722 -4.118 -1.545) 9.768 7.107 ( 1.955 -6.555 -3.498) 7.683 7.841 ( -0.007 0.185 -1.546) 1.557 7.859 ( -3.490 1.606 0.630) 3.893 8.090 ( 2.133 1.962 -3.526) 4.564 8.276 ( 1.341 0.065 4.629) 4.820 8.332 ( 0.891 -2.823 -0.392) 2.986 8.638 ( 2.814 -0.187 -4.113) 4.988 9.010 ( -1.358 -0.045 4.224) 4.437 9.213 ( -1.240 -0.184 -0.047) 1.255 9.274 ( 1.926 -0.693 -1.711) 2.668 9.529 ( 1.464 1.730 -0.405) 2.302 9.778 ( 1.246 3.260 2.122) 4.084 9.917 ( -1.160 0.047 -1.083) 1.587 10.088 ( 0.780 0.819 0.722) 1.342 10.193 ( 4.698 -1.912 -2.053) 5.472 10.239 ( -2.728 0.423 0.660) 2.839 10.436 ( -0.384 1.990 2.170) 2.969 ======================= Grid point 121 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -11.877 0.000 3.176) 12.294 0.948 ( -19.019 0.000 -6.781) 20.192 1.284 ( -11.243 0.000 3.770) 11.859 1.569 ( 2.901 -0.000 1.345) 3.197 1.612 ( -9.579 0.000 1.038) 9.636 1.783 ( -14.066 0.000 -5.778) 15.207 1.877 ( 0.063 -0.000 -5.795) 5.796 1.964 ( 4.079 -0.000 1.743) 4.435 2.069 ( 4.729 -0.000 8.980) 10.149 2.099 ( -5.996 0.000 1.737) 6.242 2.148 ( 4.618 -0.000 1.356) 4.813 2.265 ( -0.457 0.000 -3.859) 3.886 2.395 ( 0.851 -0.000 -0.187) 0.871 2.446 ( 7.761 -0.000 -2.634) 8.196 2.461 ( 2.680 -0.000 2.156) 3.440 2.623 ( 5.612 -0.000 -2.756) 6.252 2.810 ( 2.290 -0.000 -6.874) 7.245 2.840 ( 0.352 -0.000 -4.050) 4.065 3.002 ( 1.801 -0.000 8.438) 8.629 3.157 ( -2.945 0.000 1.401) 3.261 3.396 ( 1.221 -0.000 2.293) 2.598 3.531 ( -3.037 0.000 1.910) 3.588 3.640 ( 8.331 -0.000 6.758) 10.727 3.721 ( -4.125 0.000 -0.951) 4.233 3.830 ( 5.015 -0.000 -2.892) 5.789 4.268 ( 0.094 -0.000 -7.370) 7.371 4.518 ( 6.669 -0.000 1.677) 6.877 4.681 ( -3.016 0.000 -8.950) 9.445 4.775 ( -1.465 0.000 2.532) 2.925 4.801 ( -0.386 0.000 -5.451) 5.464 4.941 ( 0.163 -0.000 2.989) 2.993 5.196 ( -0.738 0.000 4.204) 4.268 5.252 ( -1.459 0.000 -0.895) 1.712 5.437 ( 0.512 -0.000 0.901) 1.036 6.328 ( -11.959 0.000 3.580) 12.483 6.617 ( -13.769 0.000 1.050) 13.809 6.764 ( -6.506 0.000 -1.810) 6.754 6.820 ( -8.600 0.000 -6.745) 10.929 7.829 ( 0.023 -0.000 -0.237) 0.238 7.932 ( -3.948 0.000 -2.650) 4.755 8.158 ( 3.135 -0.000 -2.044) 3.743 8.185 ( -1.495 0.000 -0.911) 1.751 8.311 ( 0.467 -0.000 4.593) 4.616 8.632 ( 3.334 -0.000 -4.613) 5.692 9.009 ( -1.259 0.000 3.666) 3.876 9.208 ( -1.050 0.000 0.661) 1.240 9.264 ( 2.711 -0.000 -2.606) 3.760 9.562 ( 1.663 -0.000 0.920) 1.900 9.856 ( 3.887 -0.000 4.603) 6.025 9.919 ( -1.621 0.000 -0.697) 1.765 10.095 ( 1.215 -0.000 2.430) 2.717 10.145 ( 4.468 -0.000 -4.438) 6.297 10.248 ( -2.852 0.000 -0.053) 2.852 10.483 ( 1.734 -0.000 0.095) 1.736 ======================= Grid point 122 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -17.367 -8.016 -6.956) 20.354 0.778 ( -17.855 0.267 5.967) 18.828 1.103 ( -13.438 1.998 8.736) 16.152 1.529 ( -5.737 1.394 -6.126) 8.508 1.576 ( -5.173 -4.216 4.704) 8.165 1.675 ( -5.266 -5.506 -5.660) 9.491 1.875 ( 2.998 0.781 -2.565) 4.022 1.991 ( 3.656 2.268 0.621) 4.347 2.040 ( -4.707 -1.646 -0.297) 4.995 2.155 ( 3.381 0.266 7.921) 8.616 2.209 ( 4.243 1.461 -1.714) 4.804 2.296 ( -0.587 -1.469 -0.064) 1.583 2.382 ( 0.112 1.129 -0.430) 1.214 2.455 ( 3.896 1.726 1.096) 4.400 2.578 ( 4.513 -3.488 -0.260) 5.710 2.656 ( 5.418 2.068 -2.598) 6.354 2.802 ( -0.252 0.745 -1.289) 1.510 2.879 ( 3.041 -4.220 -5.883) 7.853 3.063 ( 4.180 0.888 6.272) 7.589 3.128 ( -0.288 0.130 0.203) 0.376 3.381 ( 0.076 3.842 3.475) 5.181 3.525 ( -4.164 -4.002 -1.671) 6.012 3.661 ( -4.570 0.576 0.355) 4.620 3.738 ( 6.959 2.061 2.662) 7.731 3.888 ( 4.214 -0.564 2.943) 5.171 4.205 ( -2.505 0.838 -7.290) 7.753 4.523 ( -7.928 6.995 -13.025) 16.775 4.584 ( 4.357 0.792 -0.724) 4.487 4.719 ( -0.748 3.277 -2.783) 4.364 4.822 ( 0.373 -3.561 1.051) 3.732 5.008 ( 2.826 -1.700 3.826) 5.051 5.200 ( -0.614 0.750 1.327) 1.643 5.241 ( -0.908 -0.399 3.988) 4.109 5.453 ( 0.925 -1.340 0.500) 1.704 6.182 ( -12.718 2.560 2.036) 13.132 6.274 ( -10.910 11.223 0.479) 15.659 6.706 ( -11.604 -4.438 -3.364) 12.871 6.927 ( -0.407 -15.543 -7.519) 17.271 7.829 ( -0.319 -0.338 -0.611) 0.767 7.863 ( -2.086 1.724 -0.937) 2.864 8.126 ( 0.147 1.473 -3.387) 3.696 8.236 ( -0.947 -6.176 -4.526) 7.715 8.332 ( 1.298 1.147 4.874) 5.173 8.658 ( 3.339 0.005 -3.156) 4.595 9.010 ( -0.781 -0.064 3.084) 3.182 9.205 ( -0.531 0.083 3.385) 3.427 9.284 ( 2.414 -0.189 -3.849) 4.547 9.573 ( 0.879 1.355 2.732) 3.173 9.875 ( 3.158 4.207 1.791) 5.557 9.902 ( -0.837 -0.016 -0.477) 0.963 10.106 ( -0.103 1.013 1.279) 1.635 10.203 ( 3.286 -1.614 -2.729) 4.567 10.211 ( -2.087 -0.397 -0.044) 2.124 10.477 ( 0.070 2.757 0.644) 2.832 ======================= Grid point 130 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -18.097 0.000 2.636) 18.288 0.620 ( -18.612 0.000 10.023) 21.140 0.919 ( -26.542 0.000 21.728) 34.302 1.436 ( -3.529 0.000 -5.299) 6.367 1.495 ( -2.791 0.000 -13.341) 13.630 1.544 ( -2.892 0.000 1.168) 3.119 1.900 ( 1.908 -0.000 -2.248) 2.949 1.987 ( -1.645 0.000 -0.135) 1.650 2.044 ( 1.757 -0.000 0.940) 1.993 2.226 ( 3.074 -0.000 5.827) 6.588 2.269 ( 3.481 -0.000 1.141) 3.663 2.353 ( 3.365 -0.000 2.281) 4.065 2.364 ( -1.376 0.000 0.565) 1.487 2.519 ( 0.575 -0.000 2.257) 2.329 2.598 ( 7.626 -0.000 -5.797) 9.579 2.725 ( 3.250 -0.000 1.629) 3.635 2.815 ( 1.227 -0.000 -4.153) 4.330 2.859 ( 5.973 -0.000 -5.522) 8.134 3.117 ( -1.122 0.000 0.685) 1.315 3.134 ( 3.514 -0.000 2.118) 4.103 3.387 ( -4.557 0.000 -2.323) 5.115 3.453 ( -2.571 0.000 0.316) 2.591 3.617 ( -4.150 0.000 4.221) 5.920 3.824 ( 3.041 -0.000 2.177) 3.740 3.950 ( 3.733 -0.000 6.408) 7.416 4.150 ( -2.069 0.000 -6.720) 7.032 4.452 ( -9.007 0.000 -22.629) 24.355 4.589 ( 0.636 -0.000 -5.259) 5.297 4.760 ( -0.092 0.000 -1.983) 1.985 4.784 ( 2.102 -0.000 2.195) 3.040 5.051 ( 2.633 -0.000 5.447) 6.050 5.204 ( -0.747 0.000 -2.376) 2.491 5.290 ( 4.551 -0.000 15.139) 15.808 5.431 ( -0.043 0.000 -0.069) 0.081 6.069 ( -12.056 0.000 3.823) 12.648 6.373 ( -8.228 0.000 1.666) 8.395 6.527 ( -10.080 0.000 -7.102) 12.330 6.551 ( -11.918 0.000 -17.869) 21.479 7.821 ( -0.359 0.000 -0.529) 0.639 7.842 ( -2.087 0.000 -2.170) 3.011 8.052 ( -7.965 0.000 -6.547) 10.311 8.169 ( -0.142 0.000 -1.935) 1.940 8.377 ( 1.384 -0.000 4.775) 4.972 8.688 ( 3.305 -0.000 -2.047) 3.887 9.011 ( -0.514 0.000 1.791) 1.863 9.244 ( 3.920 -0.000 9.776) 10.533 9.293 ( 2.307 -0.000 -5.038) 5.542 9.603 ( -0.243 0.000 4.983) 4.989 9.891 ( -0.577 0.000 -0.434) 0.722 9.961 ( 3.030 -0.000 1.639) 3.445 10.134 ( -0.440 0.000 0.708) 0.834 10.176 ( -1.728 0.000 -0.269) 1.749 10.211 ( 3.453 -0.000 -3.200) 4.708 10.508 ( -0.299 0.000 -4.935) 4.944 ======================= Grid point 131 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.422 0.000 18.540) 19.316 0.762 ( -1.938 0.000 17.589) 17.695 1.121 ( 2.377 -0.000 -14.193) 14.390 1.127 ( 4.060 -0.000 -15.739) 16.255 1.463 ( 5.389 -0.000 29.849) 30.332 1.683 ( 0.308 -0.000 3.192) 3.207 1.834 ( -2.366 0.000 -2.267) 3.277 1.919 ( -1.043 0.000 -7.273) 7.348 2.053 ( -1.544 0.000 2.773) 3.174 2.146 ( 0.199 -0.000 -6.037) 6.040 2.288 ( -2.504 0.000 4.217) 4.905 2.424 ( 3.292 -0.000 -7.015) 7.749 2.444 ( -3.206 0.000 3.323) 4.617 2.480 ( -0.797 0.000 -3.113) 3.213 2.720 ( 2.819 -0.000 3.942) 4.847 2.801 ( 1.572 -0.000 -9.140) 9.275 2.801 ( -0.366 0.000 2.029) 2.061 2.902 ( 4.006 -0.000 0.020) 4.006 2.915 ( -2.046 0.000 -0.474) 2.100 3.029 ( -1.550 0.000 -6.171) 6.362 3.298 ( -1.614 0.000 5.966) 6.180 3.389 ( -0.844 0.000 -3.578) 3.676 3.781 ( 3.045 -0.000 6.010) 6.737 3.830 ( -5.633 0.000 -0.304) 5.641 4.122 ( -3.798 0.000 3.478) 5.150 4.142 ( 2.959 -0.000 -1.118) 3.164 4.260 ( 9.005 -0.000 2.006) 9.226 4.382 ( -0.880 0.000 -9.036) 9.079 4.766 ( 2.694 -0.000 0.320) 2.713 4.780 ( -2.795 0.000 -1.146) 3.021 5.107 ( -2.621 0.000 1.744) 3.148 5.140 ( 1.591 -0.000 -2.036) 2.583 5.569 ( 4.299 -0.000 4.871) 6.496 5.649 ( -5.844 0.000 -3.665) 6.898 6.041 ( -0.774 0.000 6.354) 6.401 6.090 ( 5.377 -0.000 1.671) 5.631 6.232 ( -5.569 0.000 -0.916) 5.643 6.276 ( 5.389 -0.000 -6.014) 8.076 7.781 ( -1.023 0.000 -0.366) 1.087 7.790 ( 1.342 -0.000 -1.170) 1.780 8.036 ( 2.490 -0.000 3.244) 4.089 8.091 ( -1.032 0.000 -2.872) 3.052 8.534 ( -0.494 0.000 6.095) 6.115 8.638 ( 0.388 -0.000 -5.085) 5.100 9.074 ( -1.175 0.000 5.044) 5.179 9.180 ( 1.366 -0.000 -6.311) 6.458 9.711 ( -5.461 0.000 4.665) 7.182 9.752 ( 15.329 -0.000 0.899) 15.355 9.861 ( 0.210 -0.000 0.294) 0.361 9.908 ( -6.088 0.000 -3.799) 7.176 10.075 ( 3.709 -0.000 0.485) 3.740 10.096 ( -8.089 0.000 -1.633) 8.252 10.249 ( 1.986 -0.000 1.509) 2.495 10.267 ( -2.272 0.000 -0.473) 2.321 ======================= Grid point 132 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.572 -2.925 15.930) 16.272 0.886 ( -2.230 -6.149 13.471) 14.976 1.099 ( 6.907 2.077 -15.225) 16.847 1.150 ( 5.023 -7.463 -11.700) 14.759 1.655 ( 6.733 -0.510 18.724) 19.904 1.717 ( 0.030 -1.724 -7.650) 7.842 1.812 ( -3.697 -2.057 2.350) 4.839 1.922 ( 1.644 -2.954 -3.364) 4.769 2.041 ( -0.306 0.846 2.226) 2.401 2.115 ( 0.789 0.303 -4.089) 4.176 2.277 ( -1.483 0.798 7.379) 7.569 2.353 ( -2.132 4.975 0.072) 5.413 2.407 ( -0.612 4.104 0.363) 4.165 2.466 ( -0.245 -1.115 -6.406) 6.507 2.717 ( -1.611 2.077 -1.274) 2.921 2.784 ( -4.243 0.294 -0.448) 4.277 2.798 ( 1.753 -1.229 0.907) 2.325 2.905 ( 1.862 -0.559 -5.819) 6.136 2.974 ( 2.762 -2.375 2.694) 4.531 3.018 ( 0.182 -2.566 -4.632) 5.299 3.314 ( -0.484 -0.009 6.122) 6.141 3.376 ( -0.023 -0.111 -2.285) 2.288 3.736 ( -4.362 3.221 3.055) 6.224 3.841 ( 3.009 0.731 3.372) 4.578 4.046 ( -5.771 2.679 -0.081) 6.363 4.169 ( -0.184 -2.593 -1.972) 3.262 4.317 ( 1.336 2.380 -5.683) 6.305 4.404 ( 7.109 -2.294 -2.606) 7.911 4.742 ( -3.794 -0.335 -0.708) 3.874 4.802 ( 2.570 -0.250 -0.049) 2.583 5.089 ( -2.498 -0.306 2.197) 3.341 5.161 ( 2.405 -0.465 -0.941) 2.625 5.480 ( -3.637 6.853 -0.072) 7.759 5.532 ( 1.974 8.070 2.607) 8.707 6.131 ( -1.801 -1.202 3.645) 4.239 6.178 ( -2.778 -10.393 2.484) 11.041 6.341 ( 8.483 -7.111 -5.362) 12.300 6.499 ( 15.773 -14.849 -6.317) 22.565 7.773 ( -1.265 -0.296 0.001) 1.300 7.835 ( 2.633 -2.933 -1.346) 4.165 8.064 ( 0.735 0.948 -1.124) 1.644 8.087 ( 3.538 -0.631 -0.902) 3.705 8.531 ( -2.052 1.576 5.831) 6.379 8.614 ( 0.178 0.577 -5.046) 5.082 9.080 ( -1.380 -0.190 5.317) 5.496 9.170 ( 1.108 0.121 -6.089) 6.190 9.608 ( -8.608 2.316 -0.265) 8.918 9.761 ( -4.062 4.555 -2.000) 6.422 9.850 ( -2.376 0.691 -1.022) 2.677 9.940 ( 5.504 0.846 3.397) 6.523 9.986 ( 2.150 2.627 0.626) 3.452 10.089 ( 1.913 1.616 0.839) 2.641 10.260 ( -2.004 -1.734 0.312) 2.669 10.326 ( 2.684 -3.002 0.973) 4.142 ======================= Grid point 133 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -1.439 -3.260 0.135) 3.567 0.999 ( 1.662 -5.899 9.384) 11.208 1.133 ( 7.517 -0.798 -10.158) 12.662 1.385 ( 5.963 -11.892 -2.195) 13.484 1.667 ( -0.462 2.217 -6.354) 6.745 1.762 ( 3.793 2.748 11.679) 12.584 1.780 ( -4.390 -2.190 -0.677) 4.952 1.945 ( -3.695 -1.474 -2.096) 4.496 2.055 ( 2.719 -0.256 -2.205) 3.510 2.101 ( -1.867 1.932 -3.603) 4.495 2.257 ( -0.223 6.455 1.175) 6.565 2.303 ( 2.065 1.426 3.117) 4.002 2.366 ( 0.311 -0.960 7.629) 7.695 2.477 ( 3.405 -1.950 -5.147) 6.473 2.634 ( -3.554 2.623 -2.315) 4.987 2.723 ( -4.748 1.475 3.799) 6.257 2.873 ( 4.438 -2.371 1.496) 5.250 2.921 ( 2.527 -1.084 -6.272) 6.848 3.039 ( 0.869 -4.779 -1.313) 5.032 3.095 ( 3.114 -4.450 -1.106) 5.543 3.318 ( -1.151 1.493 4.725) 5.087 3.348 ( -0.482 3.035 0.936) 3.212 3.653 ( -4.034 2.469 1.111) 4.859 3.848 ( 1.112 3.655 4.215) 5.689 3.948 ( -1.461 1.348 -5.503) 5.851 4.162 ( -8.098 -2.086 -1.443) 8.487 4.297 ( 5.521 0.956 -3.774) 6.756 4.500 ( 3.273 -1.857 -0.063) 3.764 4.693 ( -4.609 0.330 -0.492) 4.647 4.823 ( 2.232 0.357 -0.740) 2.378 5.074 ( -1.838 -0.234 1.825) 2.601 5.188 ( 1.731 0.264 0.079) 1.752 5.400 ( 0.794 1.761 1.167) 2.257 5.435 ( 1.226 6.384 -0.225) 6.505 6.133 ( -2.116 -1.585 0.708) 2.738 6.276 ( -4.733 -6.828 0.125) 8.309 6.593 ( 13.033 -8.741 -1.596) 15.774 6.861 ( 11.043 -11.312 -3.625) 16.219 7.761 ( -1.775 -0.310 0.719) 1.940 7.900 ( 0.863 -2.445 -0.748) 2.699 8.045 ( 0.187 1.546 -1.352) 2.062 8.166 ( 6.226 -2.784 -1.474) 6.978 8.475 ( -3.797 3.038 3.887) 6.225 8.596 ( 0.882 0.605 -3.348) 3.515 9.090 ( -1.394 -0.527 5.715) 5.907 9.160 ( 1.088 -0.074 -5.237) 5.349 9.484 ( -5.629 1.621 -3.505) 6.827 9.601 ( -7.563 5.556 1.661) 9.530 9.804 ( -2.046 1.857 0.525) 2.813 9.926 ( -0.973 0.371 -0.466) 1.141 10.044 ( 7.297 3.210 0.793) 8.011 10.110 ( 3.760 -0.491 0.529) 3.828 10.265 ( -1.959 -1.391 0.400) 2.436 10.392 ( 1.670 -1.436 2.070) 3.022 ======================= Grid point 134 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.842 -6.052 -4.419) 7.541 1.126 ( 2.800 -1.003 8.874) 9.359 1.209 ( 5.034 -4.573 -8.323) 10.748 1.475 ( -4.318 0.315 -6.663) 7.947 1.656 ( -1.716 -3.786 1.914) 4.577 1.765 ( 4.659 0.712 1.275) 4.882 1.839 ( 0.414 -1.758 2.658) 3.214 1.893 ( -2.599 2.885 1.856) 4.304 1.998 ( -2.857 1.816 -3.468) 4.846 2.103 ( 0.569 -1.533 -2.316) 2.835 2.147 ( -0.095 5.663 0.260) 5.670 2.321 ( 1.070 -0.682 3.473) 3.697 2.398 ( 2.924 1.449 -2.447) 4.079 2.555 ( 3.297 -1.623 -1.898) 4.136 2.576 ( -2.764 -1.179 4.974) 5.811 2.671 ( -3.482 0.573 5.911) 6.884 2.920 ( 1.476 2.154 1.726) 3.131 2.954 ( 3.637 -1.915 -6.194) 7.433 3.145 ( -3.461 1.172 0.736) 3.728 3.176 ( 7.038 -3.631 -4.660) 9.189 3.288 ( 5.206 0.531 4.663) 7.009 3.342 ( -0.521 -2.709 -0.590) 2.821 3.530 ( -6.583 5.463 -0.537) 8.571 3.820 ( -0.992 -0.072 3.619) 3.753 3.931 ( -1.688 -2.032 -8.651) 9.046 4.082 ( -4.011 2.086 4.157) 6.142 4.344 ( 3.844 -0.285 -2.512) 4.601 4.521 ( -0.993 0.193 -0.055) 1.013 4.622 ( -4.688 0.974 -2.375) 5.345 4.861 ( 3.302 -0.993 1.256) 3.669 5.071 ( -0.416 -0.252 0.876) 1.002 5.203 ( 0.940 -0.395 1.498) 1.812 5.358 ( 0.052 3.805 -1.266) 4.011 5.411 ( 1.643 0.255 0.703) 1.806 6.138 ( -0.770 -0.732 -0.013) 1.063 6.307 ( -3.736 -3.393 -0.273) 5.054 6.850 ( 9.523 -6.784 -0.607) 11.708 7.065 ( 4.958 -4.230 -1.932) 6.798 7.755 ( -0.562 -0.455 0.861) 1.124 7.925 ( -0.470 -0.854 -0.831) 1.281 8.007 ( -1.070 1.581 -1.574) 2.474 8.280 ( 4.128 -3.037 0.550) 5.155 8.402 ( -2.345 2.411 2.542) 4.216 8.586 ( 1.039 0.683 -2.509) 2.800 9.104 ( -1.567 -0.416 5.645) 5.874 9.162 ( 1.213 -0.730 -3.403) 3.686 9.397 ( -4.025 1.304 -5.908) 7.267 9.462 ( -3.899 3.320 3.046) 5.958 9.757 ( -1.407 1.483 0.749) 2.178 9.910 ( -0.272 0.370 -1.363) 1.438 10.062 ( 2.483 1.240 0.914) 2.922 10.162 ( 3.589 0.004 0.071) 3.590 10.263 ( -1.120 -0.495 0.189) 1.239 10.429 ( 0.665 -0.691 2.173) 2.376 ======================= Grid point 135 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.360 -0.283 -4.430) 4.454 1.147 ( -1.029 3.385 8.748) 9.436 1.319 ( 3.974 -4.721 -5.937) 8.563 1.356 ( -6.383 2.398 -5.053) 8.487 1.730 ( 1.547 -4.775 3.339) 6.029 1.761 ( -3.082 4.865 0.515) 5.782 1.803 ( 3.125 1.592 -1.835) 3.958 1.889 ( -0.211 0.455 3.170) 3.210 1.985 ( 0.335 -3.567 -3.242) 4.831 2.087 ( 0.938 1.231 -1.403) 2.090 2.121 ( 0.526 -0.285 -0.179) 0.625 2.312 ( -1.507 2.085 2.854) 3.843 2.423 ( 3.139 -0.052 -5.064) 5.958 2.540 ( -1.142 0.718 2.521) 2.859 2.659 ( -2.707 -3.630 7.202) 8.508 2.688 ( 1.737 -2.558 0.698) 3.170 2.873 ( -1.540 4.113 3.404) 5.557 3.012 ( 3.110 -1.618 -7.795) 8.547 3.039 ( -3.297 2.921 4.405) 6.229 3.217 ( 0.997 2.351 -0.475) 2.597 3.300 ( -6.868 3.568 5.615) 9.562 3.392 ( 6.873 -1.816 -6.180) 9.419 3.501 ( 3.730 -4.360 -2.663) 6.325 3.834 ( -1.919 0.677 -0.301) 2.057 3.862 ( -4.240 -0.595 -1.224) 4.453 4.098 ( 4.529 -1.558 1.104) 4.915 4.348 ( -1.956 0.308 -2.045) 2.847 4.513 ( 1.693 0.624 1.247) 2.193 4.561 ( -2.816 -0.429 -2.596) 3.854 4.908 ( 0.529 -0.930 0.467) 1.168 5.073 ( 0.353 0.510 0.589) 0.855 5.227 ( -0.016 -0.436 1.916) 1.965 5.311 ( -0.364 1.268 -0.260) 1.345 5.421 ( 0.973 0.004 -0.497) 1.093 6.135 ( -0.605 0.223 0.389) 0.753 6.306 ( -0.811 0.123 0.345) 0.890 6.976 ( 0.058 -0.311 -0.103) 0.333 7.114 ( 1.080 -0.330 -2.529) 2.770 7.770 ( 1.282 -0.576 -0.567) 1.515 7.913 ( -0.716 1.126 0.694) 1.504 7.982 ( -0.094 -0.725 -2.073) 2.198 8.339 ( -0.269 -1.272 3.310) 3.556 8.375 ( 0.840 1.288 -0.824) 1.744 8.582 ( 1.129 0.104 -2.299) 2.563 9.102 ( -1.756 0.465 4.157) 4.536 9.187 ( 1.365 -1.367 -0.800) 2.092 9.309 ( -2.906 1.949 -1.544) 3.824 9.440 ( 1.382 -0.957 -1.061) 1.988 9.738 ( -0.497 -0.163 0.824) 0.976 9.898 ( -0.018 0.262 -0.939) 0.975 10.071 ( 0.120 -0.192 0.475) 0.526 10.186 ( 0.464 -0.067 -0.352) 0.586 10.261 ( 0.431 0.325 0.103) 0.550 10.446 ( -0.271 -0.377 1.555) 1.623 ======================= Grid point 136 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.954 6.791 -2.817) 7.608 1.060 ( -3.866 7.344 8.372) 11.788 1.242 ( -7.256 0.714 2.364) 7.665 1.396 ( 3.014 -1.085 -3.601) 4.820 1.669 ( -1.983 3.118 0.128) 3.698 1.792 ( 3.087 1.712 -2.368) 4.251 1.861 ( 3.408 -5.253 0.698) 6.301 1.895 ( 0.903 1.268 3.215) 3.572 2.029 ( -1.143 -2.709 -8.107) 8.624 2.067 ( -0.605 0.806 2.735) 2.915 2.171 ( 2.881 -2.956 -0.917) 4.228 2.299 ( -1.924 -2.095 3.948) 4.866 2.398 ( -1.056 1.694 -3.806) 4.298 2.535 ( -0.519 2.413 0.172) 2.474 2.613 ( -3.860 3.257 1.604) 5.300 2.714 ( 0.002 0.164 1.801) 1.808 2.831 ( -2.040 0.630 5.930) 6.303 2.988 ( -2.526 -1.730 0.354) 3.082 3.094 ( 2.340 2.386 -2.282) 4.047 3.111 ( -0.836 2.078 4.024) 4.605 3.303 ( -1.324 -4.335 3.048) 5.463 3.436 ( 0.179 -1.016 -9.588) 9.643 3.571 ( 1.997 -3.902 -3.508) 5.614 3.806 ( 5.223 4.045 4.924) 8.240 3.863 ( 0.566 -0.859 -1.325) 1.677 4.170 ( 0.691 -2.694 -4.548) 5.330 4.293 ( -4.341 1.471 1.698) 4.888 4.540 ( 0.988 -0.915 -1.314) 1.882 4.579 ( 4.211 -2.006 1.518) 4.905 4.894 ( -3.064 0.525 -1.926) 3.657 5.071 ( 0.577 0.456 1.042) 1.275 5.215 ( -1.010 1.352 0.355) 1.725 5.312 ( -0.355 -1.216 2.703) 2.985 5.437 ( 0.190 -1.472 -1.463) 2.084 6.121 ( -0.614 1.083 1.584) 2.015 6.288 ( 1.929 3.469 1.487) 4.239 6.855 ( -9.227 6.583 -1.197) 11.398 7.087 ( -2.218 3.035 -3.888) 5.408 7.787 ( 1.557 -0.056 -2.342) 2.813 7.895 ( 0.681 1.405 1.935) 2.486 8.010 ( 1.201 -2.241 -1.596) 3.002 8.320 ( -2.650 3.852 -3.822) 6.039 8.378 ( 0.735 -1.836 4.382) 4.808 8.593 ( 1.365 -0.780 -2.609) 3.046 9.086 ( -1.582 0.802 3.745) 4.144 9.212 ( 1.354 0.091 -4.233) 4.445 9.286 ( 1.043 -0.579 5.273) 5.406 9.500 ( 3.541 -3.347 -1.256) 5.032 9.760 ( 0.617 -2.210 0.580) 2.367 9.896 ( 0.326 0.054 -0.047) 0.334 10.072 ( -2.282 -1.296 -0.105) 2.626 10.173 ( -2.325 -0.105 -1.003) 2.535 10.264 ( 1.863 0.967 0.078) 2.101 10.447 ( -1.294 -0.241 0.527) 1.418 ======================= Grid point 137 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.033 5.903 6.068) 8.466 0.917 ( -4.673 8.297 11.295) 14.773 1.180 ( -5.333 -1.745 -3.486) 6.606 1.376 ( 1.721 6.551 1.688) 6.980 1.563 ( -8.698 4.928 -0.882) 10.036 1.773 ( -1.478 4.271 1.933) 4.915 1.884 ( 3.873 2.672 1.793) 5.035 1.943 ( 1.349 -3.616 -5.596) 6.798 2.024 ( -2.311 1.387 0.269) 2.709 2.068 ( 2.046 -3.981 -0.732) 4.536 2.265 ( -1.746 -4.611 0.802) 4.995 2.301 ( -0.995 -0.863 1.542) 2.028 2.370 ( -2.828 -3.230 3.551) 5.572 2.495 ( 2.706 0.175 -3.581) 4.492 2.627 ( 3.610 -1.126 0.257) 3.790 2.700 ( 0.434 2.712 5.108) 5.799 2.835 ( 0.557 -0.268 1.153) 1.309 2.950 ( 0.142 6.228 3.530) 7.161 3.006 ( -2.822 -0.917 -9.303) 9.765 3.143 ( 0.193 0.840 -1.687) 1.895 3.364 ( -2.219 -3.080 0.463) 3.824 3.416 ( -0.418 -1.370 -5.956) 6.125 3.644 ( 1.242 -2.504 1.606) 3.224 3.819 ( 1.890 -0.006 4.024) 4.446 3.933 ( 4.324 -4.197 -1.377) 6.181 4.172 ( 1.683 1.153 -2.827) 3.487 4.220 ( -4.936 2.071 3.863) 6.601 4.539 ( -0.008 1.421 -3.501) 3.778 4.685 ( 5.233 -2.085 0.629) 5.668 4.831 ( -3.389 0.686 -1.760) 3.880 5.085 ( 0.862 -0.691 1.058) 1.530 5.185 ( -0.972 0.838 0.260) 1.309 5.349 ( -1.061 -2.424 4.570) 5.281 5.467 ( -0.198 -3.915 -1.766) 4.300 6.103 ( 0.688 2.176 3.538) 4.210 6.244 ( 1.963 5.950 2.866) 6.890 6.600 ( -11.869 8.283 -2.373) 14.667 6.908 ( -6.982 10.947 -7.848) 15.172 7.791 ( 1.366 0.516 -2.210) 2.648 7.893 ( 1.933 2.010 0.347) 2.811 8.038 ( -1.398 -0.761 -1.126) 1.950 8.179 ( -5.429 4.145 -3.243) 7.561 8.443 ( 1.344 -2.136 5.579) 6.123 8.616 ( 1.683 -1.201 -3.707) 4.245 9.073 ( -1.193 0.561 4.036) 4.246 9.197 ( 1.120 0.488 -5.768) 5.896 9.376 ( 6.446 -1.819 7.649) 10.167 9.604 ( 3.012 -4.314 1.409) 5.447 9.820 ( 1.351 -3.375 -0.934) 3.754 9.909 ( 1.521 -0.842 1.043) 2.028 10.056 ( -5.768 -2.242 -0.369) 6.199 10.135 ( -2.889 0.172 -1.955) 3.493 10.269 ( 2.392 1.549 -0.036) 2.850 10.424 ( -2.779 0.321 -1.075) 2.996 ======================= Grid point 138 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -8.411 1.093 16.785) 18.806 0.801 ( 0.804 7.496 16.557) 18.193 1.133 ( -0.869 -0.843 -15.217) 15.266 1.224 ( -1.981 6.999 -13.364) 15.216 1.400 ( -4.876 5.751 25.547) 26.637 1.704 ( 0.800 4.852 6.221) 7.930 1.868 ( -1.016 0.890 -1.953) 2.374 1.965 ( -1.604 0.390 -3.393) 3.773 2.038 ( 1.644 -2.227 -0.310) 2.786 2.131 ( 0.551 -2.921 -4.315) 5.239 2.282 ( -2.339 -2.753 3.235) 4.849 2.384 ( 1.409 -3.491 -0.383) 3.784 2.411 ( -1.678 -3.983 2.202) 4.851 2.499 ( 2.771 0.721 -8.141) 8.630 2.690 ( 2.239 2.060 5.583) 6.358 2.719 ( 4.085 -3.317 0.420) 5.279 2.841 ( 2.234 1.915 -3.373) 4.476 2.883 ( 2.213 3.134 1.207) 4.022 2.960 ( -3.689 -0.696 -5.290) 6.487 3.089 ( -1.445 2.060 -6.255) 6.742 3.331 ( -4.158 1.626 2.525) 5.129 3.411 ( -0.748 -0.564 -3.866) 3.978 3.711 ( 1.749 -2.244 5.140) 5.875 3.861 ( -2.714 -2.740 1.249) 4.054 4.053 ( 6.023 -3.613 -1.373) 7.157 4.153 ( -1.008 2.331 1.570) 2.986 4.189 ( 2.824 0.726 4.924) 5.723 4.461 ( -2.876 2.891 -6.820) 7.946 4.740 ( 2.730 0.193 -0.588) 2.799 4.804 ( -1.388 -0.325 -0.269) 1.451 5.110 ( 0.189 -0.968 0.590) 1.150 5.158 ( -1.326 1.217 -0.941) 2.031 5.429 ( 2.109 -6.198 4.648) 8.029 5.564 ( 0.026 -8.310 0.147) 8.312 6.089 ( 2.302 4.592 6.351) 8.169 6.162 ( -1.348 6.605 4.136) 7.909 6.351 ( -7.349 5.513 -5.473) 10.693 6.520 ( -10.756 18.550 -8.377) 23.021 7.788 ( 0.873 0.595 -1.293) 1.669 7.838 ( -1.457 4.163 -2.202) 4.930 8.010 ( -1.309 -0.062 3.613) 3.844 8.112 ( -1.595 -0.270 -2.203) 2.734 8.503 ( 0.377 -1.167 6.150) 6.271 8.637 ( 1.443 -0.948 -4.741) 5.046 9.070 ( -1.016 0.213 4.572) 4.688 9.186 ( 1.434 0.055 -6.117) 6.283 9.545 ( 13.057 -2.060 6.229) 14.612 9.695 ( -0.175 -3.050 4.724) 5.625 9.859 ( -0.049 -1.102 -1.398) 1.780 9.985 ( 2.766 -2.532 0.731) 3.821 10.003 ( -6.616 -2.449 -2.945) 7.645 10.110 ( -3.007 -2.547 -1.439) 4.196 10.265 ( 2.394 2.486 -0.185) 3.456 10.353 ( -5.245 2.421 -1.950) 6.097 ======================= Grid point 140 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 2.561 -0.000 14.942) 15.160 0.942 ( 4.309 -0.000 15.647) 16.229 1.054 ( 5.703 -0.000 -16.524) 17.480 1.164 ( 11.663 -0.000 -14.489) 18.600 1.667 ( 1.780 -0.000 -5.526) 5.806 1.749 ( 1.237 -0.000 -4.409) 4.580 1.855 ( 5.611 -0.000 15.528) 16.510 1.872 ( -2.028 0.000 -5.433) 5.800 2.083 ( 2.775 -0.000 6.268) 6.855 2.088 ( -1.857 0.000 -4.223) 4.613 2.279 ( -2.025 0.000 5.081) 5.469 2.380 ( -4.010 0.000 8.402) 9.310 2.423 ( -1.413 0.000 -3.965) 4.209 2.426 ( -0.294 0.000 -4.550) 4.560 2.696 ( -4.194 0.000 -5.858) 7.205 2.718 ( -1.570 0.000 -3.647) 3.970 2.817 ( -0.453 0.000 5.804) 5.822 2.894 ( 1.625 -0.000 -6.690) 6.884 2.991 ( 1.161 -0.000 -2.148) 2.442 3.001 ( 2.799 -0.000 2.531) 3.774 3.343 ( 0.477 -0.000 6.690) 6.707 3.362 ( -0.202 0.000 -0.122) 0.236 3.707 ( -5.159 0.000 -0.374) 5.173 3.911 ( 2.782 -0.000 10.222) 10.594 4.038 ( -3.623 0.000 1.642) 3.977 4.061 ( -4.272 0.000 -9.444) 10.366 4.368 ( 1.791 -0.000 -10.112) 10.269 4.428 ( 4.604 -0.000 -1.038) 4.719 4.704 ( -1.783 0.000 0.763) 1.939 4.831 ( 2.570 -0.000 -0.845) 2.705 5.080 ( -1.063 0.000 3.596) 3.749 5.177 ( 2.101 -0.000 -1.427) 2.540 5.479 ( -4.921 0.000 -0.336) 4.932 5.587 ( -5.347 0.000 0.921) 5.426 6.178 ( 8.669 -0.000 3.859) 9.489 6.252 ( 11.757 -0.000 -5.341) 12.913 6.311 ( 12.031 -0.000 3.900) 12.647 6.510 ( 13.043 -0.000 -6.847) 14.731 7.782 ( 1.129 -0.000 -0.085) 1.132 7.827 ( 1.887 -0.000 -1.307) 2.295 8.085 ( 3.319 -0.000 -2.685) 4.269 8.118 ( 2.626 -0.000 0.391) 2.655 8.540 ( -3.025 0.000 5.841) 6.578 8.594 ( -0.590 0.000 -5.538) 5.570 9.081 ( -1.614 0.000 5.591) 5.819 9.160 ( 0.977 -0.000 -6.122) 6.199 9.509 ( -8.652 0.000 -4.333) 9.676 9.708 ( -9.711 0.000 1.482) 9.823 9.842 ( -1.053 0.000 1.438) 1.783 9.943 ( -2.003 0.000 2.440) 3.157 10.097 ( -2.187 0.000 1.726) 2.786 10.132 ( 11.860 -0.000 -2.583) 12.138 10.245 ( -0.434 0.000 -1.445) 1.509 10.331 ( 2.607 -0.000 3.412) 4.294 ======================= Grid point 141 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -1.607 1.686 -4.004) 4.633 1.095 ( 9.280 -2.138 13.246) 16.314 1.180 ( 9.757 -2.470 -12.590) 16.118 1.291 ( 9.523 -3.101 -0.355) 10.022 1.689 ( 3.936 1.148 -6.137) 7.381 1.720 ( -3.536 0.318 2.259) 4.208 1.863 ( -1.036 -3.479 -4.374) 5.684 1.903 ( 3.054 3.858 7.777) 9.202 2.047 ( -1.404 -0.447 -3.940) 4.207 2.115 ( -0.402 2.909 1.163) 3.159 2.286 ( -3.831 -1.144 2.687) 4.817 2.350 ( -3.613 2.516 -1.762) 4.742 2.376 ( 1.870 -0.694 7.999) 8.244 2.446 ( 1.238 -2.851 -3.957) 5.032 2.604 ( -5.242 1.296 -5.957) 8.040 2.716 ( 0.180 0.616 -0.294) 0.706 2.872 ( 3.766 -5.210 3.826) 7.481 2.892 ( 1.475 -0.996 -6.915) 7.141 3.004 ( 1.553 -0.005 -1.313) 2.034 3.066 ( 2.153 -3.020 2.809) 4.652 3.355 ( -0.349 1.602 6.084) 6.301 3.368 ( -1.434 -0.051 3.251) 3.553 3.639 ( -4.461 1.362 -0.038) 4.665 3.889 ( -4.650 4.192 2.668) 6.805 3.977 ( 0.387 3.029 -7.531) 8.127 4.066 ( -0.845 -3.435 4.286) 5.557 4.318 ( -1.009 -0.133 -6.346) 6.427 4.487 ( 1.592 -2.133 -0.933) 2.820 4.689 ( 0.280 2.190 0.398) 2.243 4.852 ( 2.399 -0.241 -1.331) 2.754 5.079 ( -0.030 0.908 3.193) 3.320 5.192 ( 0.323 -0.427 -2.010) 2.080 5.425 ( -0.522 1.416 0.083) 1.511 5.505 ( -4.615 2.404 -0.472) 5.225 6.224 ( 11.267 7.644 -0.270) 13.618 6.291 ( 9.006 3.615 2.010) 9.910 6.595 ( 12.767 -8.291 -1.170) 15.267 6.769 ( 10.592 -13.252 -2.663) 17.172 7.776 ( 1.142 1.686 0.527) 2.103 7.866 ( 0.768 -2.419 -1.465) 2.931 8.090 ( 2.067 2.942 -0.724) 3.668 8.181 ( 4.847 -2.839 -0.960) 5.699 8.489 ( -4.083 2.687 3.103) 5.789 8.581 ( -0.677 -1.121 -3.483) 3.721 9.086 ( -1.582 -0.369 5.867) 6.088 9.149 ( 0.755 -0.170 -5.379) 5.434 9.411 ( -5.182 -0.028 -5.391) 7.478 9.581 ( -9.137 2.813 3.525) 10.189 9.822 ( -1.503 1.758 2.428) 3.354 9.929 ( 0.048 0.791 -0.185) 0.814 10.082 ( -2.446 -0.875 1.179) 2.853 10.211 ( 5.626 2.984 -1.833) 6.626 10.235 ( 1.850 -0.956 -1.107) 2.358 10.385 ( 0.598 -1.824 3.088) 3.636 ======================= Grid point 142 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 3.815 -5.243 -4.314) 7.788 1.255 ( 6.992 0.607 -4.377) 8.271 1.268 ( 14.297 3.070 5.696) 15.693 1.380 ( -2.018 -2.586 -1.728) 3.708 1.612 ( -3.721 1.179 2.115) 4.439 1.766 ( 3.219 -2.177 -3.376) 5.148 1.891 ( -0.242 -1.365 0.016) 1.386 1.901 ( 2.042 3.078 2.063) 4.230 2.026 ( -1.800 4.746 2.146) 5.511 2.060 ( 0.004 -2.854 -1.223) 3.105 2.217 ( -2.226 4.511 -2.822) 5.768 2.310 ( -1.823 -1.477 3.233) 3.994 2.409 ( -1.317 0.204 -3.727) 3.958 2.507 ( -1.903 -3.927 -3.771) 5.767 2.534 ( -3.017 -2.314 2.677) 4.650 2.684 ( -0.906 2.448 3.935) 4.722 2.908 ( 0.739 -2.194 -5.118) 5.617 2.991 ( 1.857 2.145 0.275) 2.851 3.097 ( 2.759 -6.593 -7.003) 10.006 3.157 ( 7.648 -4.920 3.463) 9.731 3.327 ( -0.938 1.872 6.899) 7.210 3.369 ( 0.196 0.203 3.841) 3.851 3.535 ( -5.863 4.471 -0.793) 7.416 3.813 ( -3.828 1.925 2.427) 4.924 3.837 ( -5.431 1.741 -8.742) 10.438 4.151 ( 4.114 -0.400 4.046) 5.784 4.318 ( -1.352 -2.335 -1.193) 2.951 4.521 ( 0.681 -0.773 0.499) 1.145 4.629 ( -0.161 4.310 -1.683) 4.630 4.893 ( 2.770 -0.697 0.634) 2.926 5.077 ( 0.679 0.768 1.246) 1.614 5.189 ( -0.936 -1.066 -1.317) 1.936 5.393 ( -1.815 2.561 -3.070) 4.391 5.439 ( -0.256 1.042 2.070) 2.331 6.239 ( 10.821 6.439 0.010) 12.592 6.336 ( 8.255 3.127 0.580) 8.846 6.840 ( 8.569 -6.963 -0.850) 11.074 7.022 ( 4.812 -6.942 -0.720) 8.477 7.772 ( 1.692 0.888 0.918) 2.120 7.897 ( 0.168 -1.622 -1.779) 2.414 8.043 ( 0.221 3.761 -0.534) 3.805 8.279 ( 3.364 -2.565 0.649) 4.280 8.419 ( -2.218 1.861 1.485) 3.254 8.576 ( -0.999 -0.808 -3.055) 3.314 9.098 ( -1.651 -0.509 5.580) 5.841 9.148 ( 0.581 -0.871 -3.180) 3.348 9.350 ( -2.426 0.330 -4.817) 5.403 9.465 ( -5.092 2.180 2.831) 6.220 9.779 ( -1.356 2.178 2.149) 3.347 9.918 ( 0.636 0.824 -1.337) 1.695 10.072 ( -2.142 -0.446 0.810) 2.333 10.198 ( -0.397 0.660 -0.750) 1.075 10.275 ( 4.129 0.856 -1.025) 4.340 10.417 ( -0.936 -1.316 2.390) 2.884 ======================= Grid point 143 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 4.380 -3.109 -2.020) 5.738 1.266 ( 1.296 4.355 3.579) 5.784 1.325 ( -4.393 2.574 1.702) 5.368 1.367 ( 12.897 3.026 -3.712) 13.758 1.670 ( 2.701 -5.845 3.827) 7.490 1.792 ( 1.167 0.672 -4.454) 4.653 1.848 ( -0.010 3.804 1.271) 4.011 1.915 ( -0.058 -2.579 -4.162) 4.897 1.966 ( 1.392 3.814 4.238) 5.869 2.094 ( -0.018 -0.046 -0.528) 0.530 2.135 ( -0.359 1.637 -1.801) 2.461 2.303 ( -4.289 0.197 0.087) 4.294 2.386 ( -1.272 -3.178 -6.241) 7.118 2.524 ( -0.292 -3.067 1.646) 3.493 2.579 ( -5.228 -3.845 3.850) 7.546 2.665 ( -1.124 -0.038 5.158) 5.279 2.901 ( -4.298 1.192 3.549) 5.700 2.989 ( 1.966 0.174 -7.780) 8.027 3.057 ( -3.714 1.618 2.439) 4.728 3.257 ( -0.525 3.055 0.309) 3.115 3.316 ( -1.114 3.872 -1.300) 4.233 3.410 ( 3.175 -1.692 -5.486) 6.561 3.458 ( -0.572 -1.394 -0.455) 1.574 3.793 ( 4.644 -5.934 2.115) 7.827 3.828 ( -0.813 -1.872 2.972) 3.605 4.153 ( -0.898 2.608 -3.232) 4.249 4.329 ( -0.724 0.823 3.388) 3.561 4.528 ( 0.608 0.237 -1.947) 2.054 4.589 ( 3.714 2.079 1.801) 4.621 4.913 ( -0.470 0.700 0.729) 1.115 5.078 ( 0.459 0.171 -0.484) 0.688 5.202 ( -1.334 -1.958 0.727) 2.478 5.323 ( -1.581 1.881 -1.470) 2.863 5.430 ( -0.203 0.675 -0.789) 1.058 6.252 ( 10.084 7.006 0.456) 12.287 6.392 ( 9.627 2.935 1.198) 10.135 6.970 ( 0.529 -1.158 0.148) 1.282 7.090 ( -1.211 -1.074 -2.020) 2.588 7.793 ( 3.024 0.260 -0.515) 3.078 7.917 ( 0.867 -0.946 -0.884) 1.559 7.995 ( 1.067 2.308 -0.076) 2.543 8.329 ( 0.054 -1.217 3.052) 3.286 8.393 ( -0.218 0.887 -1.759) 1.982 8.565 ( -1.038 -0.961 -3.390) 3.673 9.100 ( -1.808 -0.037 3.949) 4.343 9.173 ( 0.929 -1.825 0.080) 2.050 9.303 ( -1.351 1.161 -0.598) 1.879 9.432 ( 0.191 -0.818 -0.967) 1.281 9.749 ( -0.143 1.176 1.734) 2.100 9.910 ( 0.996 0.736 -0.896) 1.529 10.051 ( -2.952 -0.196 0.191) 2.964 10.176 ( -1.877 0.125 -1.049) 2.154 10.294 ( 2.933 1.201 -0.539) 3.215 10.426 ( -2.014 -0.965 1.659) 2.782 ======================= Grid point 144 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.134 4.783 0.439) 4.935 1.160 ( -4.399 5.035 0.170) 6.688 1.282 ( 2.330 5.196 7.275) 9.238 1.451 ( 10.070 1.585 -2.002) 10.388 1.704 ( -3.048 4.210 -1.647) 5.452 1.812 ( 3.354 -0.029 -0.810) 3.451 1.853 ( 4.538 -2.622 2.428) 5.776 1.938 ( -0.358 -1.960 -4.703) 5.107 1.967 ( 3.503 0.824 0.514) 3.635 2.066 ( -1.693 0.154 0.111) 1.703 2.146 ( 0.911 -1.946 -1.853) 2.838 2.248 ( -6.014 -0.394 2.967) 6.718 2.378 ( -2.334 -0.039 -6.004) 6.442 2.508 ( -8.487 0.105 -0.703) 8.517 2.605 ( 1.099 -2.367 4.799) 5.463 2.713 ( 1.039 -2.662 2.427) 3.749 2.825 ( -6.643 2.124 9.203) 11.547 2.926 ( -2.033 -0.627 -2.638) 3.389 3.107 ( 2.005 -3.372 -2.735) 4.782 3.191 ( -1.577 3.183 1.030) 3.698 3.219 ( -2.573 1.569 -0.743) 3.103 3.378 ( -3.302 -0.222 -5.081) 6.064 3.549 ( 6.515 -3.309 -2.589) 7.752 3.846 ( 1.087 -1.228 0.684) 1.777 3.947 ( 1.642 3.772 2.289) 4.708 4.129 ( 4.807 -4.494 -2.874) 7.181 4.284 ( -3.796 2.765 2.996) 5.570 4.548 ( 3.197 -0.296 -1.213) 3.433 4.633 ( 5.000 -0.124 2.975) 5.820 4.867 ( -3.363 1.733 -0.799) 3.867 5.080 ( 0.360 -0.168 -0.302) 0.499 5.202 ( -2.712 -0.196 0.371) 2.744 5.297 ( -0.716 -0.414 0.846) 1.183 5.412 ( -0.771 -0.156 -2.607) 2.723 6.251 ( 9.628 7.336 1.669) 12.218 6.459 ( 11.397 5.072 3.009) 12.832 6.854 ( -9.488 7.144 -0.637) 11.893 7.063 ( -3.950 0.380 -3.910) 5.571 7.819 ( 3.811 0.975 -1.348) 4.159 7.934 ( 1.744 0.568 0.268) 1.854 8.002 ( 2.410 -0.332 -0.139) 2.437 8.326 ( -3.842 3.387 -5.458) 7.485 8.371 ( 0.561 -2.011 4.724) 5.164 8.564 ( -0.455 -1.752 -3.892) 4.292 9.091 ( -1.612 0.384 3.911) 4.248 9.204 ( 0.641 -0.655 -3.527) 3.644 9.308 ( 1.650 -1.378 6.347) 6.701 9.474 ( 2.127 -3.101 -1.879) 4.203 9.757 ( 1.788 -0.363 1.353) 2.272 9.913 ( 1.678 0.555 0.153) 1.774 10.012 ( -4.553 -0.458 -0.701) 4.630 10.142 ( -3.018 0.135 -1.750) 3.492 10.304 ( 2.332 1.029 -0.107) 2.551 10.415 ( -2.937 -0.639 1.002) 3.168 ======================= Grid point 145 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -1.006 7.151 5.256) 8.932 1.059 ( -1.521 2.918 -0.306) 3.305 1.229 ( 6.738 10.522 3.686) 13.026 1.517 ( 5.635 3.450 5.226) 8.425 1.543 ( -8.449 6.608 -4.267) 11.544 1.839 ( -3.493 2.800 -3.444) 5.648 1.850 ( 4.030 -0.993 -2.664) 4.932 2.004 ( 5.013 -0.371 -1.995) 5.409 2.021 ( 2.900 -0.448 3.092) 4.263 2.036 ( -2.291 -0.561 -0.102) 2.361 2.158 ( -3.655 -4.242 0.928) 5.676 2.243 ( -2.925 -3.029 -0.415) 4.231 2.319 ( -3.572 -0.532 5.325) 6.434 2.471 ( -0.640 -2.763 -5.128) 5.860 2.662 ( 2.599 -0.136 5.296) 5.901 2.738 ( -2.003 0.796 5.938) 6.317 2.812 ( -0.568 -2.873 1.187) 3.160 2.919 ( -1.924 -1.536 -5.552) 6.073 3.073 ( 1.686 5.776 -3.213) 6.821 3.142 ( -1.945 0.683 -0.755) 2.195 3.269 ( -1.002 -5.594 2.328) 6.141 3.358 ( -0.575 -2.110 -4.776) 5.253 3.632 ( 2.077 -1.126 1.547) 2.824 3.830 ( -3.392 0.741 -4.757) 5.890 3.946 ( 7.038 -1.371 2.388) 7.557 4.185 ( -6.620 0.905 -0.531) 6.703 4.260 ( 7.550 1.363 5.091) 9.207 4.546 ( -1.440 1.840 -4.002) 4.635 4.729 ( 5.670 -1.778 1.583) 6.150 4.801 ( -2.412 1.181 -0.416) 2.718 5.095 ( 1.125 -0.552 0.742) 1.456 5.165 ( -3.140 -0.111 -0.128) 3.144 5.313 ( -0.932 -1.654 2.774) 3.362 5.400 ( -0.998 -1.356 -3.826) 4.180 6.253 ( 9.080 7.125 4.066) 12.237 6.493 ( 10.818 9.236 6.329) 15.569 6.590 ( -11.609 8.503 -2.527) 14.610 6.930 ( -6.871 5.989 -8.836) 12.695 7.834 ( 2.816 1.950 0.465) 3.456 7.947 ( 3.432 1.118 -2.825) 4.584 8.025 ( 0.395 0.445 0.295) 0.665 8.168 ( -6.229 4.751 -5.651) 9.659 8.437 ( 0.443 -2.647 6.016) 6.588 8.582 ( 0.483 -2.316 -4.852) 5.398 9.083 ( -1.247 0.477 4.274) 4.478 9.192 ( 0.448 0.241 -5.316) 5.340 9.422 ( 4.894 -4.515 7.636) 10.131 9.552 ( 0.665 -4.636 0.065) 4.684 9.804 ( 2.764 -1.194 0.968) 3.163 9.934 ( 2.740 0.281 1.072) 2.956 9.960 ( -5.239 -0.859 -1.479) 5.511 10.091 ( -4.080 0.145 -2.591) 4.835 10.315 ( 2.061 0.938 0.510) 2.321 10.387 ( -3.461 -0.052 0.231) 3.470 ======================= Grid point 146 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.680 4.928 12.482) 13.524 1.021 ( 0.437 3.985 3.865) 5.569 1.113 ( 2.075 10.088 -3.684) 10.938 1.280 ( -0.902 9.588 -10.874) 14.525 1.558 ( 3.039 2.748 16.580) 17.079 1.765 ( -2.653 -0.230 -5.737) 6.325 1.893 ( 2.805 4.123 3.405) 6.038 1.937 ( -2.693 0.364 -1.904) 3.318 2.058 ( 0.293 0.760 0.356) 0.888 2.087 ( 2.485 -0.949 -3.385) 4.305 2.212 ( -0.526 -5.526 4.576) 7.194 2.288 ( -1.506 -5.555 -1.949) 6.077 2.346 ( -1.671 -2.798 5.465) 6.362 2.491 ( 1.054 -1.196 -7.893) 8.052 2.707 ( -0.975 -1.441 2.518) 3.061 2.742 ( 0.287 -0.744 7.324) 7.367 2.841 ( -0.191 -0.342 -4.327) 4.345 2.900 ( 1.456 -0.680 -7.037) 7.218 3.000 ( 2.378 5.376 1.713) 6.123 3.091 ( -0.932 2.669 -5.421) 6.114 3.313 ( -1.930 -0.748 2.944) 3.599 3.371 ( -0.734 -2.140 -3.173) 3.897 3.686 ( -0.828 -3.124 7.715) 8.364 3.806 ( -0.319 -2.043 -4.583) 5.028 4.072 ( 1.573 -2.104 2.866) 3.888 4.110 ( -0.063 -1.163 -1.657) 2.025 4.323 ( 6.377 2.833 4.465) 8.285 4.437 ( -4.653 3.075 -7.450) 9.306 4.776 ( -0.587 0.297 0.416) 0.779 4.787 ( 1.562 0.206 -0.677) 1.714 5.115 ( -0.605 0.213 2.087) 2.184 5.146 ( -0.328 -0.525 -1.126) 1.285 5.362 ( 0.076 -4.813 4.177) 6.373 5.428 ( -0.311 -4.868 -3.132) 5.797 6.225 ( -1.314 7.035 8.504) 11.115 6.372 ( 1.254 6.798 -6.821) 9.712 6.428 ( 0.770 12.346 10.229) 16.051 6.670 ( 1.443 14.095 -16.064) 21.420 7.819 ( -0.854 2.219 1.671) 2.906 7.888 ( -0.135 5.101 -6.210) 8.037 8.028 ( 2.263 -0.123 2.795) 3.598 8.084 ( -0.231 0.199 -3.394) 3.408 8.497 ( -1.073 -2.204 6.452) 6.902 8.607 ( 0.903 -1.873 -5.368) 5.756 9.079 ( -1.129 0.332 4.808) 4.950 9.177 ( 0.933 -0.043 -5.722) 5.798 9.597 ( 0.045 -6.654 4.968) 8.304 9.637 ( 3.610 -5.650 0.620) 6.733 9.849 ( 2.172 -0.455 1.903) 2.923 9.897 ( -4.360 -0.345 -2.909) 5.252 9.986 ( 0.031 -1.206 3.127) 3.352 10.042 ( -0.775 -0.667 -3.168) 3.329 10.315 ( -0.737 1.486 1.781) 2.434 10.343 ( -0.640 1.585 -1.009) 1.985 ======================= Grid point 149 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -2.108 0.000 -3.868) 4.405 1.104 ( 7.060 -0.000 -0.888) 7.116 1.342 ( 14.081 -0.000 2.446) 14.292 1.438 ( 11.272 -0.000 3.369) 11.765 1.700 ( -3.666 0.000 3.357) 4.971 1.760 ( 3.677 -0.000 -3.695) 5.213 1.793 ( 4.384 -0.000 -5.443) 6.989 1.981 ( -0.584 0.000 2.174) 2.251 2.004 ( -0.486 0.000 -1.289) 1.378 2.170 ( -0.885 0.000 4.498) 4.584 2.200 ( -5.911 0.000 2.056) 6.259 2.302 ( -4.738 0.000 -2.030) 5.155 2.390 ( -0.403 0.000 -7.590) 7.600 2.410 ( -1.896 0.000 1.995) 2.752 2.532 ( -4.996 0.000 -4.285) 6.582 2.766 ( 8.349 -0.000 -5.785) 10.157 2.848 ( 0.215 -0.000 2.244) 2.254 2.879 ( 2.523 -0.000 -6.400) 6.880 3.058 ( 3.859 -0.000 6.128) 7.242 3.063 ( 1.369 -0.000 1.160) 1.794 3.355 ( -3.395 0.000 4.431) 5.582 3.387 ( -0.968 0.000 6.662) 6.732 3.607 ( -3.065 0.000 1.587) 3.452 3.875 ( -4.641 0.000 -7.200) 8.566 4.003 ( -3.825 0.000 -2.214) 4.420 4.012 ( -0.291 0.000 2.836) 2.850 4.275 ( -1.194 0.000 2.411) 2.691 4.485 ( 1.562 -0.000 -0.818) 1.763 4.736 ( 2.192 -0.000 0.670) 2.292 4.857 ( 1.462 -0.000 -2.888) 3.237 5.107 ( 0.866 -0.000 3.206) 3.321 5.175 ( -0.598 0.000 -4.329) 4.370 5.437 ( -0.039 0.000 1.600) 1.600 5.451 ( -4.209 0.000 -2.463) 4.877 6.446 ( 9.529 -0.000 6.980) 11.812 6.528 ( 14.112 -0.000 -5.092) 15.003 6.670 ( 14.610 -0.000 4.413) 15.262 6.719 ( 10.486 -0.000 -5.977) 12.070 7.820 ( 1.531 -0.000 1.228) 1.963 7.839 ( 0.506 -0.000 -1.659) 1.734 8.151 ( 0.527 -0.000 -0.814) 0.970 8.197 ( 6.306 -0.000 -0.811) 6.357 8.475 ( -6.031 0.000 4.667) 7.626 8.538 ( -0.296 0.000 -6.186) 6.194 9.088 ( -1.438 0.000 5.968) 6.139 9.134 ( 0.144 -0.000 -4.514) 4.516 9.350 ( -1.793 0.000 -5.013) 5.324 9.514 ( -8.456 0.000 3.868) 9.299 9.830 ( -2.226 0.000 4.078) 4.646 9.942 ( 0.602 -0.000 -0.305) 0.675 10.038 ( -2.787 0.000 0.219) 2.796 10.207 ( -1.813 0.000 -1.901) 2.627 10.308 ( 5.861 -0.000 -3.441) 6.797 10.384 ( -0.324 0.000 3.954) 3.967 ======================= Grid point 150 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 4.654 -3.012 1.548) 5.755 1.237 ( 6.794 -5.192 -3.847) 9.377 1.457 ( 5.483 4.592 3.610) 8.011 1.517 ( 10.389 3.254 4.402) 11.743 1.604 ( -5.062 2.859 2.027) 6.157 1.793 ( 6.429 0.728 -3.818) 7.513 1.874 ( 2.440 -1.860 -0.230) 3.077 1.943 ( -1.967 -0.139 -1.784) 2.659 2.034 ( 1.322 1.543 2.471) 3.199 2.080 ( -2.360 2.856 3.972) 5.432 2.201 ( -4.437 -1.326 -0.305) 4.641 2.268 ( -2.309 -0.858 -1.192) 2.737 2.366 ( -3.210 0.122 -5.054) 5.989 2.388 ( -2.041 -4.351 -4.467) 6.562 2.476 ( -3.909 -0.294 0.482) 3.950 2.745 ( 1.749 4.055 -4.130) 6.046 2.864 ( 0.104 -1.041 -6.650) 6.732 3.026 ( 8.030 -5.367 -7.433) 12.187 3.047 ( 1.737 1.965 3.101) 4.061 3.184 ( 7.073 -5.509 8.443) 12.315 3.331 ( -4.139 -1.851 3.206) 5.553 3.382 ( -1.816 1.873 6.529) 7.030 3.553 ( -3.313 4.379 2.063) 5.866 3.793 ( -4.693 3.564 -9.342) 11.046 3.822 ( -5.093 2.735 -0.183) 5.783 4.089 ( -3.245 -5.307 -1.106) 6.319 4.331 ( 3.274 -1.355 11.042) 11.596 4.508 ( 1.145 -1.217 -1.377) 2.165 4.711 ( 1.268 4.497 0.114) 4.674 4.889 ( 1.230 -2.010 -1.693) 2.901 5.113 ( 0.990 1.490 0.478) 1.852 5.157 ( -0.395 -0.752 -3.441) 3.544 5.392 ( -2.172 1.673 -2.202) 3.516 5.445 ( -0.737 -0.011 1.435) 1.613 6.500 ( 9.705 6.188 3.322) 11.980 6.572 ( 14.371 9.253 -1.647) 17.172 6.821 ( 7.395 -5.124 -1.372) 9.101 6.971 ( 8.118 -7.743 0.345) 11.224 7.813 ( 1.202 1.324 0.920) 2.011 7.869 ( 0.523 -1.805 -0.495) 1.943 8.111 ( 0.668 3.830 -1.389) 4.129 8.282 ( 3.639 -1.936 0.025) 4.122 8.410 ( -4.942 0.604 2.606) 5.619 8.527 ( -0.742 -1.247 -5.435) 5.625 9.095 ( -1.393 -0.061 5.167) 5.352 9.128 ( 0.167 -0.853 -1.746) 1.950 9.328 ( 0.654 0.270 -4.153) 4.213 9.436 ( -5.760 0.565 2.871) 6.460 9.802 ( -2.426 1.568 4.565) 5.402 9.938 ( 1.101 0.962 -1.465) 2.070 10.029 ( -2.100 -1.367 0.013) 2.506 10.175 ( -2.544 -0.101 -2.106) 3.304 10.339 ( 3.756 1.239 -2.035) 4.448 10.396 ( -1.161 -0.747 2.620) 2.962 ======================= Grid point 151 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.791 -4.073 3.243) 8.557 1.307 ( -0.006 2.619 -2.491) 3.615 1.423 ( 2.049 5.932 9.012) 10.982 1.489 ( 1.322 -0.497 -2.270) 2.673 1.702 ( 9.295 -2.707 5.427) 11.098 1.812 ( 3.726 1.606 -5.975) 7.222 1.905 ( 3.194 3.059 -3.411) 5.585 1.914 ( 1.007 1.766 2.466) 3.196 2.010 ( -1.205 -1.758 1.517) 2.616 2.098 ( 0.255 -0.471 2.183) 2.248 2.143 ( -1.069 2.376 -2.263) 3.451 2.234 ( -4.513 -0.198 -3.531) 5.733 2.296 ( -4.345 -0.038 -4.980) 6.609 2.440 ( -4.509 -5.657 0.597) 7.259 2.477 ( -0.345 -3.283 3.051) 4.495 2.692 ( -0.885 2.460 0.468) 2.656 2.852 ( -1.534 -1.389 -6.383) 6.710 3.006 ( -0.581 0.189 -2.522) 2.595 3.051 ( -3.922 5.205 5.122) 8.289 3.295 ( -7.152 4.691 4.055) 9.466 3.353 ( 0.075 -1.537 -6.938) 7.107 3.394 ( 4.923 2.378 -3.162) 6.316 3.468 ( 3.833 -0.825 0.734) 3.989 3.736 ( 3.956 -7.498 4.282) 9.498 3.819 ( -1.045 -2.095 0.223) 2.352 4.093 ( -4.352 -1.963 -1.759) 5.088 4.399 ( 0.859 2.327 7.644) 8.037 4.539 ( 2.900 -0.530 -0.676) 3.025 4.673 ( 2.657 2.562 2.312) 4.355 4.896 ( -2.433 -0.334 -2.295) 3.362 5.099 ( 1.069 1.378 -0.368) 1.783 5.166 ( 0.098 -1.238 -0.849) 1.504 5.331 ( -1.289 2.263 -1.394) 2.954 5.427 ( -1.723 0.608 -0.769) 1.983 6.534 ( 12.580 7.287 1.415) 14.607 6.587 ( 12.077 6.247 0.610) 13.611 6.939 ( 0.439 -3.286 -0.273) 3.327 7.066 ( -0.866 0.962 -1.177) 1.749 7.830 ( 2.764 -0.279 0.714) 2.868 7.904 ( 1.059 -1.814 -0.103) 2.103 8.062 ( 2.488 3.326 -1.052) 4.284 8.326 ( 0.564 -0.670 2.031) 2.212 8.370 ( -4.186 -0.594 -0.541) 4.263 8.517 ( -0.517 -1.089 -5.515) 5.645 9.095 ( -1.305 0.044 3.906) 4.119 9.154 ( 0.625 -1.739 0.683) 1.970 9.313 ( -0.007 0.988 0.260) 1.022 9.408 ( -0.589 -1.355 -1.425) 2.053 9.776 ( -0.639 1.157 4.195) 4.398 9.933 ( 1.396 0.740 -1.155) 1.957 10.014 ( -2.403 0.043 -0.629) 2.484 10.137 ( -3.360 -0.326 -2.227) 4.045 10.346 ( 2.330 1.446 -0.684) 2.826 10.397 ( -1.708 -0.430 1.439) 2.275 ======================= Grid point 152 (76/93) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.199 1.822 1.818) 4.106 1.200 ( -2.370 5.279 -1.253) 5.921 1.391 ( 1.350 3.638 10.801) 11.477 1.563 ( 5.515 -1.292 -3.422) 6.618 1.782 ( 3.168 4.762 -6.690) 8.802 1.837 ( 0.581 -2.611 -2.592) 3.725 1.876 ( 3.254 1.232 5.459) 6.474 1.935 ( 5.418 1.362 1.066) 5.687 2.052 ( 4.925 2.630 1.195) 5.710 2.060 ( -2.621 2.429 -0.881) 3.681 2.113 ( -0.609 -2.553 0.214) 2.633 2.161 ( -6.683 -0.448 -2.628) 7.195 2.294 ( -0.045 -4.860 -6.311) 7.966 2.395 ( -10.644 1.081 -0.133) 10.700 2.585 ( 2.227 -5.224 4.729) 7.390 2.675 ( -1.321 -2.509 4.267) 5.123 2.821 ( -2.980 1.706 1.609) 3.792 2.908 ( -5.192 2.843 1.777) 6.180 3.035 ( 1.652 -3.868 -3.588) 5.528 3.152 ( -6.903 2.369 -1.494) 7.449 3.318 ( 4.405 5.094 -5.434) 8.653 3.341 ( -2.828 0.725 0.670) 2.996 3.586 ( 8.576 -1.824 -1.242) 8.855 3.818 ( -4.031 -1.822 -1.168) 4.575 3.954 ( 0.544 -3.904 3.641) 5.365 4.103 ( 3.858 -3.985 -3.049) 6.329 4.355 ( 0.783 4.950 7.560) 9.070 4.575 ( 2.406 -0.113 -2.237) 3.287 4.695 ( 2.965 0.705 3.047) 4.310 4.842 ( -4.343 0.512 -2.047) 4.829 5.093 ( 1.109 1.009 0.887) 1.742 5.171 ( -1.590 -0.015 -0.452) 1.653 5.296 ( 0.129 0.651 0.448) 0.801 5.390 ( -1.801 0.232 -2.987) 3.496 6.540 ( 13.066 10.028 1.263) 16.519 6.659 ( 8.963 2.447 3.770) 10.027 6.869 ( -8.195 7.113 0.529) 10.864 6.996 ( -4.208 0.161 -5.056) 6.580 7.874 ( 2.886 0.035 1.630) 3.315 7.945 ( 1.795 -1.284 -1.465) 2.649 8.062 ( 4.809 2.093 0.491) 5.268 8.292 ( -5.922 1.717 -5.981) 8.590 8.360 ( -0.664 -1.699 6.048) 6.317 8.513 ( 0.032 -1.543 -5.972) 6.168 9.094 ( -1.211 0.211 4.410) 4.579 9.184 ( 0.315 -1.061 -2.420) 2.661 9.324 ( 0.837 -1.190 5.350) 5.544 9.439 ( 1.369 -2.552 -3.306) 4.396 9.789 ( 2.038 0.014 3.846) 4.353 9.936 ( -0.063 -0.001 -0.779) 0.782 9.975 ( -0.732 1.371 -0.910) 1.801 10.090 ( -4.177 -0.229 -2.628) 4.940 10.346 ( 1.507 1.149 0.339) 1.925 10.382 ( -2.017 0.031 0.664) 2.124 ======================= Grid point 153 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -2.679 6.092 4.460) 8.011 1.123 ( 3.985 5.338 -3.441) 7.498 1.429 ( 5.832 1.472 6.655) 8.971 1.535 ( -4.211 5.444 -4.786) 8.383 1.706 ( 4.418 7.931 1.249) 9.164 1.778 ( -7.101 2.675 -5.841) 9.576 1.924 ( 2.641 -1.413 2.606) 3.971 1.998 ( 1.509 1.214 -2.567) 3.216 2.007 ( 1.419 -2.429 0.893) 2.951 2.041 ( -3.675 1.208 -2.206) 4.453 2.122 ( 2.483 -0.430 3.313) 4.163 2.163 ( -1.997 -2.139 -0.656) 2.999 2.290 ( -1.633 -1.608 3.109) 3.862 2.375 ( 1.435 -5.416 -5.343) 7.742 2.683 ( -1.316 -3.020 8.434) 9.055 2.714 ( -6.506 -0.136 5.533) 8.541 2.796 ( 5.541 -1.277 1.504) 5.881 2.877 ( -0.320 -0.677 -4.006) 4.076 3.081 ( -3.173 -1.703 -0.979) 3.732 3.115 ( 2.508 -4.100 -4.637) 6.678 3.252 ( -2.177 3.748 4.509) 6.254 3.341 ( 4.517 0.307 -5.561) 7.171 3.675 ( 5.112 0.779 1.979) 5.537 3.749 ( -7.319 -0.499 -5.684) 9.281 4.014 ( 4.189 -1.648 5.082) 6.789 4.118 ( -3.570 0.652 -6.079) 7.080 4.388 ( 4.824 1.323 9.609) 10.833 4.537 ( -2.527 2.896 -6.693) 7.718 4.757 ( 3.649 -1.731 2.196) 4.597 4.789 ( -2.829 -0.056 -0.714) 2.919 5.104 ( 1.112 -0.313 1.708) 2.062 5.130 ( -2.467 0.998 -0.750) 2.765 5.307 ( 0.521 -0.244 2.248) 2.320 5.366 ( -0.353 -0.584 -3.915) 3.974 6.504 ( -0.461 9.915 5.870) 11.531 6.605 ( 1.015 7.567 -4.674) 8.952 6.726 ( -1.313 5.775 9.188) 10.932 6.915 ( 1.597 2.864 -10.665) 11.158 7.886 ( -1.102 1.226 3.682) 4.034 7.976 ( 2.970 -0.206 -5.095) 5.901 8.073 ( 0.115 2.937 2.874) 4.111 8.156 ( -1.426 3.570 -7.298) 8.248 8.409 ( -1.949 -2.837 6.943) 7.749 8.532 ( 1.679 -2.409 -6.236) 6.892 9.093 ( -1.081 0.403 4.835) 4.971 9.179 ( 0.290 0.009 -4.367) 4.377 9.405 ( 1.063 -4.317 6.099) 7.548 9.486 ( 0.166 -3.513 -2.809) 4.501 9.834 ( 0.865 -0.601 3.777) 3.921 9.902 ( -0.942 0.691 -3.286) 3.488 9.984 ( 2.385 0.557 2.163) 3.267 10.036 ( -2.418 -0.094 -3.607) 4.343 10.342 ( -1.526 0.487 1.945) 2.520 10.364 ( 0.608 0.509 -0.446) 0.910 ======================= Grid point 154 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.170 4.655 5.954) 7.560 1.075 ( 3.611 4.411 -4.170) 7.063 1.277 ( -7.999 12.669 -2.628) 15.212 1.469 ( 8.212 7.671 1.198) 11.301 1.658 ( -1.729 -2.741 -0.616) 3.299 1.691 ( 0.865 2.741 2.368) 3.724 1.882 ( -5.726 2.378 -2.113) 6.550 1.999 ( -2.683 -1.623 -2.050) 3.746 2.033 ( 4.766 2.033 0.484) 5.204 2.082 ( -0.034 -3.497 -3.175) 4.723 2.139 ( -1.280 -5.373 3.085) 6.327 2.235 ( 4.606 -2.076 0.737) 5.106 2.336 ( 0.280 -0.944 5.875) 5.957 2.454 ( 3.637 -2.139 -4.349) 6.060 2.654 ( -5.504 -0.427 3.482) 6.527 2.724 ( -4.205 -2.293 8.212) 9.506 2.857 ( 3.946 1.322 -3.604) 5.505 2.899 ( 4.511 -1.273 -4.795) 6.705 3.093 ( 0.835 0.872 -0.294) 1.243 3.133 ( 3.610 4.387 -2.739) 6.307 3.252 ( -2.640 -5.898 3.839) 7.516 3.344 ( 1.410 1.692 -3.650) 4.263 3.661 ( -3.913 -0.773 0.937) 4.098 3.754 ( 2.838 -2.988 0.498) 4.151 4.002 ( -6.081 0.403 -2.402) 6.550 4.158 ( 7.119 -2.253 1.218) 7.565 4.357 ( -7.614 3.212 -2.973) 8.783 4.479 ( 4.680 2.343 1.355) 5.406 4.747 ( -3.934 -0.145 -0.281) 3.947 4.809 ( 1.455 0.168 -1.129) 1.849 5.097 ( -2.311 -0.266 0.564) 2.393 5.145 ( 2.363 -1.140 1.732) 3.144 5.332 ( 0.879 -1.679 2.661) 3.267 5.377 ( 1.546 -1.446 -3.174) 3.814 6.272 ( -10.452 6.878 2.326) 12.726 6.532 ( -13.570 8.814 3.718) 16.603 6.585 ( 13.427 8.266 -2.051) 15.900 6.896 ( 11.501 6.981 -6.744) 15.050 7.827 ( -5.207 2.470 1.458) 5.944 7.939 ( -0.117 2.810 -2.843) 3.998 8.036 ( -0.560 -0.487 -0.499) 0.895 8.143 ( 7.189 3.148 -2.517) 8.242 8.449 ( -3.442 -3.148 5.756) 7.409 8.572 ( 2.083 -2.005 -4.842) 5.639 9.092 ( -1.088 0.496 5.293) 5.426 9.167 ( 0.871 0.076 -4.780) 4.860 9.491 ( -2.800 -4.061 1.945) 5.303 9.548 ( -1.338 -6.439 -0.886) 6.636 9.819 ( -4.313 -0.838 -0.352) 4.407 9.922 ( 4.687 0.304 0.998) 4.801 9.962 ( -1.695 0.246 -0.531) 1.793 10.065 ( 4.931 -0.153 -0.254) 4.940 10.309 ( -2.947 0.778 1.244) 3.292 10.377 ( 2.259 0.546 0.945) 2.509 ======================= Grid point 158 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 7.841 -0.000 10.070) 12.762 1.280 ( 9.916 -0.000 -4.920) 11.069 1.559 ( -8.006 0.000 1.658) 8.176 1.572 ( -1.189 0.000 2.641) 2.896 1.614 ( 8.263 -0.000 2.214) 8.555 1.855 ( -1.268 0.000 4.396) 4.575 1.880 ( 2.644 -0.000 -5.303) 5.926 1.913 ( 3.943 -0.000 0.779) 4.020 2.063 ( -6.274 0.000 -0.502) 6.294 2.112 ( -3.276 0.000 0.495) 3.314 2.160 ( 6.512 -0.000 5.717) 8.665 2.222 ( -3.420 0.000 1.584) 3.769 2.310 ( -3.456 0.000 -3.626) 5.009 2.328 ( 1.093 -0.000 -7.920) 7.995 2.440 ( -1.852 0.000 -0.376) 1.889 2.755 ( 0.078 -0.000 -15.283) 15.283 2.856 ( 1.300 -0.000 -3.356) 3.599 3.041 ( 2.703 -0.000 -9.265) 9.651 3.165 ( 14.753 -0.000 6.758) 16.227 3.211 ( 1.907 -0.000 9.925) 10.107 3.259 ( -4.286 0.000 3.181) 5.337 3.403 ( -2.366 0.000 7.544) 7.907 3.593 ( -1.253 0.000 3.827) 4.027 3.708 ( -10.036 0.000 -7.313) 12.417 3.762 ( -3.689 0.000 -9.607) 10.291 3.997 ( -5.349 0.000 2.847) 6.059 4.403 ( 3.439 -0.000 14.014) 14.430 4.518 ( 3.649 -0.000 -1.882) 4.106 4.758 ( -0.801 0.000 0.278) 0.848 4.878 ( 1.285 -0.000 -2.117) 2.476 5.126 ( 0.900 -0.000 -5.999) 6.066 5.144 ( 0.551 -0.000 1.178) 1.301 5.384 ( -0.783 0.000 -1.193) 1.427 5.436 ( -1.727 0.000 1.077) 2.036 6.652 ( 3.792 -0.000 6.393) 7.433 6.739 ( 8.173 -0.000 -7.082) 10.814 6.937 ( 10.239 -0.000 -0.713) 10.264 6.983 ( 9.815 -0.000 2.193) 10.057 7.838 ( 0.638 -0.000 -1.279) 1.429 7.852 ( -0.399 0.000 2.743) 2.772 8.143 ( 0.249 -0.000 -1.636) 1.655 8.302 ( 2.774 -0.000 -3.534) 4.493 8.351 ( -6.859 0.000 6.089) 9.172 8.498 ( 0.942 -0.000 -6.678) 6.744 9.102 ( -1.249 0.000 5.899) 6.030 9.118 ( 0.722 -0.000 -1.055) 1.279 9.336 ( 2.856 -0.000 -4.806) 5.590 9.382 ( -5.625 0.000 3.055) 6.401 9.802 ( -3.176 0.000 6.792) 7.498 9.952 ( 1.154 -0.000 -2.727) 2.962 10.004 ( 0.093 -0.000 -0.559) 0.567 10.132 ( -3.236 0.000 -2.484) 4.079 10.377 ( 2.713 -0.000 -2.717) 3.840 10.386 ( -1.478 0.000 2.998) 3.342 ======================= Grid point 159 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 9.199 -0.923 10.424) 13.933 1.360 ( 1.878 3.394 -3.314) 5.102 1.452 ( -0.528 -1.769 -1.751) 2.544 1.545 ( -1.777 2.424 5.928) 6.646 1.718 ( 3.025 -2.665 0.788) 4.108 1.823 ( -3.611 -0.992 -0.368) 3.763 1.952 ( 5.938 -1.316 -0.468) 6.100 1.958 ( -0.988 -0.467 2.167) 2.427 1.994 ( 1.481 0.402 -2.178) 2.664 2.065 ( -2.223 1.123 -0.432) 2.528 2.189 ( -3.055 0.373 -0.354) 3.098 2.223 ( 4.368 2.230 1.518) 5.134 2.250 ( -4.764 1.442 -1.970) 5.353 2.335 ( 0.032 -1.980 -3.913) 4.386 2.455 ( 1.307 -2.072 3.455) 4.235 2.697 ( -0.173 0.253 -12.040) 12.043 2.831 ( 0.690 2.526 -2.414) 3.562 2.982 ( -2.987 2.056 -5.644) 6.708 3.157 ( -0.937 6.004 7.946) 10.003 3.257 ( -5.474 2.564 4.949) 7.812 3.347 ( -1.970 1.452 2.352) 3.394 3.480 ( 2.542 3.264 -5.941) 7.239 3.504 ( 10.812 -4.703 0.508) 11.801 3.681 ( -4.651 -6.568 1.269) 8.148 3.712 ( 0.997 -2.188 -1.812) 3.011 3.983 ( -6.385 -5.714 -0.872) 8.613 4.472 ( 2.097 1.884 10.109) 10.494 4.575 ( 4.378 -0.427 0.319) 4.410 4.729 ( -0.483 1.394 1.231) 1.921 4.863 ( -1.597 0.853 -4.094) 4.477 5.127 ( 1.414 0.513 -1.225) 1.941 5.152 ( 0.528 -0.711 -1.349) 1.613 5.359 ( 0.174 2.157 -0.422) 2.204 5.407 ( -2.941 0.586 -0.083) 3.000 6.688 ( 3.648 1.074 4.300) 5.740 6.794 ( 5.165 0.938 -4.601) 6.980 6.966 ( 7.087 5.219 0.871) 8.845 7.084 ( 0.361 1.254 -0.169) 1.316 7.847 ( 1.468 -0.785 0.907) 1.896 7.877 ( 0.071 -2.293 0.257) 2.309 8.131 ( 2.374 1.754 -0.719) 3.038 8.277 ( -5.982 -1.576 -2.492) 6.669 8.342 ( -0.166 0.231 4.812) 4.820 8.489 ( 1.197 -0.268 -6.891) 6.999 9.103 ( -0.975 0.433 4.681) 4.801 9.140 ( 1.027 -1.170 0.351) 1.596 9.326 ( -1.913 0.731 1.729) 2.680 9.372 ( 1.485 -1.636 -3.873) 4.459 9.796 ( -1.581 0.256 7.411) 7.582 9.949 ( 1.255 0.540 -3.770) 4.010 10.007 ( 0.756 0.445 -0.478) 0.999 10.084 ( -3.646 -0.040 -2.282) 4.302 10.375 ( -1.179 0.419 2.162) 2.498 10.391 ( 1.423 0.379 -1.714) 2.260 ======================= Grid point 160 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 2.133 3.053 4.258) 5.657 1.248 ( 0.052 2.830 -2.819) 3.994 1.501 ( -0.684 3.149 7.215) 7.902 1.575 ( 5.708 -3.370 -0.714) 6.667 1.755 ( -3.180 -2.368 -2.130) 4.501 1.797 ( -1.637 0.013 -5.043) 5.302 1.938 ( -1.270 -0.191 7.062) 7.178 2.030 ( -0.429 1.268 0.256) 1.363 2.033 ( 1.931 -2.330 0.696) 3.105 2.075 ( 3.672 -2.384 -1.359) 4.584 2.115 ( -2.276 3.982 -1.855) 4.948 2.134 ( -0.809 2.677 -4.984) 5.715 2.255 ( -2.309 0.563 2.897) 3.747 2.334 ( 2.854 0.383 -5.421) 6.138 2.540 ( 0.409 -4.514 6.081) 7.584 2.650 ( -1.129 0.495 -3.365) 3.583 2.810 ( -0.496 -0.870 1.099) 1.487 2.902 ( -0.886 2.075 -5.408) 5.860 3.064 ( 0.284 5.624 6.044) 8.261 3.113 ( -5.979 3.829 1.126) 7.189 3.333 ( -1.990 0.849 2.706) 3.465 3.420 ( 4.151 3.712 -7.094) 9.018 3.654 ( 8.273 -2.247 -0.771) 8.607 3.675 ( -8.621 -4.331 -2.585) 9.988 3.925 ( 5.614 -6.287 5.768) 10.213 4.024 ( -1.810 -7.031 -4.180) 8.377 4.472 ( 0.778 3.831 8.482) 9.340 4.587 ( 1.932 1.206 -4.187) 4.767 4.738 ( 1.186 0.199 2.872) 3.113 4.801 ( -2.482 1.304 -3.435) 4.434 5.117 ( -1.521 0.550 2.404) 2.898 5.168 ( 1.534 0.124 -2.362) 2.819 5.331 ( 1.468 2.191 1.122) 2.867 5.358 ( -2.823 0.490 -1.953) 3.468 6.727 ( -0.434 -0.126 4.248) 4.272 6.779 ( -1.340 4.541 -1.309) 4.912 6.930 ( 3.884 7.651 1.325) 8.682 6.983 ( -1.692 3.977 -4.202) 6.028 7.880 ( -1.157 -1.457 2.429) 3.060 7.932 ( 3.135 -2.353 -2.895) 4.873 8.149 ( 2.851 1.314 2.229) 3.850 8.210 ( -5.575 -0.435 -3.617) 6.660 8.355 ( -0.919 -0.239 5.537) 5.618 8.483 ( 1.823 -0.488 -7.296) 7.536 9.103 ( -1.202 0.257 4.830) 4.984 9.167 ( 0.983 -0.747 -1.866) 2.237 9.320 ( -1.446 -1.354 4.041) 4.501 9.407 ( 2.278 -1.652 -4.926) 5.673 9.815 ( -0.517 -0.383 7.120) 7.149 9.934 ( 1.640 1.033 -5.196) 5.546 10.010 ( 1.819 0.896 0.726) 2.154 10.034 ( -3.203 0.108 -2.166) 3.868 10.358 ( -1.953 0.493 2.185) 2.972 10.391 ( 1.552 0.930 -1.339) 2.250 ======================= Grid point 161 (82/93) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -3.195 4.202 2.304) 5.760 1.252 ( 6.203 3.743 -5.675) 9.203 1.494 ( -0.591 -0.497 6.287) 6.334 1.580 ( 0.537 5.502 -8.366) 10.027 1.705 ( -7.524 1.814 -0.888) 7.790 1.770 ( -2.902 -1.119 1.215) 3.339 1.933 ( -6.924 0.825 -0.401) 6.984 1.971 ( 1.932 2.796 6.773) 7.578 2.023 ( -1.963 0.816 -4.571) 5.041 2.060 ( -4.519 -0.844 0.383) 4.613 2.091 ( 2.938 2.212 -0.837) 3.771 2.182 ( 1.767 -1.889 5.059) 5.682 2.228 ( 3.723 -5.008 -5.478) 8.304 2.413 ( 11.381 0.982 -1.624) 11.538 2.604 ( -4.529 -3.206 3.540) 6.582 2.678 ( 0.293 -2.862 4.455) 5.303 2.831 ( -1.090 -2.548 -2.605) 3.804 2.892 ( 6.758 2.238 4.354) 8.345 3.016 ( -3.349 0.778 -0.394) 3.461 3.078 ( 2.268 -2.186 2.227) 3.858 3.292 ( -0.925 2.345 -1.254) 2.816 3.411 ( 5.652 1.969 -4.721) 7.623 3.604 ( -9.584 -2.289 -3.132) 10.339 3.774 ( 6.419 0.246 2.411) 6.861 4.022 ( -0.084 -3.208 4.860) 5.823 4.064 ( -1.700 -1.010 -7.189) 7.456 4.436 ( -3.536 1.929 2.685) 4.841 4.570 ( 2.747 3.203 -4.014) 5.824 4.745 ( -3.085 0.521 -1.691) 3.556 4.779 ( 3.224 -1.563 3.306) 4.875 5.093 ( -2.847 0.405 1.441) 3.217 5.165 ( 2.216 1.604 0.039) 2.736 5.315 ( -1.206 0.071 -0.249) 1.234 5.350 ( 2.090 -0.290 -0.367) 2.141 6.547 ( -13.496 9.786 0.632) 16.683 6.674 ( -10.479 1.118 2.494) 10.829 6.871 ( 8.261 8.912 0.801) 12.178 6.984 ( 7.076 -0.256 -4.535) 8.408 7.875 ( -3.509 0.094 1.541) 3.833 7.976 ( 1.431 -0.828 -4.419) 4.719 8.067 ( -6.949 2.195 -0.089) 7.288 8.231 ( 6.253 1.017 0.279) 6.341 8.367 ( -2.756 -1.220 5.738) 6.482 8.506 ( 3.397 -1.672 -5.804) 6.930 9.103 ( -1.379 0.094 4.850) 5.043 9.172 ( 1.095 0.125 -3.107) 3.297 9.361 ( -1.470 -3.623 3.991) 5.588 9.432 ( 0.809 -1.356 -4.554) 4.820 9.812 ( -3.590 0.417 2.471) 4.378 9.947 ( 5.491 0.567 -2.381) 6.012 9.974 ( -3.443 0.720 -1.090) 3.683 10.054 ( 4.407 -0.416 0.895) 4.516 10.330 ( -2.548 0.733 1.694) 3.147 10.393 ( 1.828 0.666 -0.173) 1.953 ======================= Grid point 162 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.074 2.926 2.798) 4.049 1.192 ( 1.523 6.770 -4.957) 8.528 1.361 ( -6.444 9.411 -3.617) 11.966 1.527 ( -5.090 -2.428 -7.510) 9.392 1.645 ( 7.450 1.220 4.558) 8.818 1.740 ( -4.296 1.137 5.086) 6.754 1.886 ( -6.140 -3.679 -2.549) 7.598 1.909 ( -0.965 5.223 0.335) 5.322 2.023 ( -2.818 -0.738 -1.736) 3.391 2.044 ( 1.796 -3.882 -0.169) 4.281 2.116 ( 2.030 0.192 0.476) 2.094 2.270 ( 2.548 -2.248 5.326) 6.317 2.331 ( 5.710 -2.188 -4.206) 7.421 2.512 ( 8.993 1.404 0.140) 9.103 2.600 ( -4.718 -1.638 3.422) 6.055 2.690 ( -3.485 1.020 7.983) 8.770 2.863 ( 1.071 -2.681 -2.079) 3.558 2.952 ( 5.652 1.812 -4.126) 7.229 3.064 ( 1.463 -7.005 5.336) 8.927 3.157 ( 0.716 -2.940 1.036) 3.198 3.241 ( 3.660 3.912 -2.817) 6.052 3.411 ( 3.367 3.712 -4.831) 6.961 3.536 ( -8.158 -3.932 -2.244) 9.331 3.810 ( 2.865 2.157 4.579) 5.816 3.985 ( 0.360 3.668 -2.736) 4.591 4.110 ( -5.567 -6.330 -0.217) 8.432 4.347 ( -0.934 3.758 -2.772) 4.763 4.536 ( -0.602 1.027 -0.065) 1.192 4.685 ( -4.906 0.099 -2.361) 5.446 4.844 ( 3.320 0.952 1.421) 3.735 5.072 ( -1.090 -0.654 0.463) 1.353 5.179 ( 2.348 0.617 2.631) 3.580 5.316 ( -0.078 -1.414 -0.425) 1.479 5.383 ( 2.344 -0.414 -0.212) 2.389 6.266 ( -10.412 6.778 0.300) 12.427 6.486 ( -13.338 4.502 0.642) 14.092 6.850 ( 10.145 7.285 -0.270) 12.493 7.050 ( 6.819 1.201 -2.837) 7.483 7.805 ( -4.665 2.002 0.231) 5.081 7.948 ( -1.914 0.530 -1.107) 2.274 8.016 ( -0.967 -0.144 -1.797) 2.046 8.271 ( 5.785 2.828 0.398) 6.451 8.380 ( -3.140 -2.450 4.407) 5.940 8.555 ( 2.787 -1.665 -3.563) 4.821 9.104 ( -1.379 0.098 5.145) 5.327 9.170 ( 1.358 0.541 -3.101) 3.428 9.417 ( -3.939 -5.195 0.344) 6.528 9.435 ( -0.412 -0.862 -2.377) 2.562 9.769 ( -2.951 0.085 0.223) 2.961 9.927 ( -1.967 0.453 -1.148) 2.322 10.000 ( 5.187 -0.007 0.227) 5.192 10.118 ( 4.517 -0.224 0.496) 4.550 10.293 ( -2.622 0.679 1.127) 2.934 10.411 ( 1.956 0.146 1.274) 2.339 ======================= Grid point 167 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 10.364 -0.000 13.126) 16.725 1.378 ( -9.209 0.000 3.175) 9.741 1.431 ( 3.607 -0.000 -7.036) 7.907 1.481 ( -3.254 0.000 -6.174) 6.979 1.752 ( 2.526 -0.000 3.935) 4.676 1.772 ( -3.238 0.000 3.918) 5.083 1.940 ( -2.885 0.000 1.668) 3.332 1.988 ( 2.537 -0.000 -1.014) 2.732 2.020 ( 5.067 -0.000 -2.595) 5.692 2.038 ( -2.872 0.000 -3.411) 4.459 2.199 ( 1.597 -0.000 2.880) 3.293 2.204 ( -3.001 0.000 1.389) 3.307 2.276 ( 1.284 -0.000 0.582) 1.410 2.336 ( 3.652 -0.000 -6.345) 7.321 2.461 ( 0.172 -0.000 4.359) 4.362 2.631 ( -1.453 0.000 -13.795) 13.871 2.868 ( 0.368 -0.000 1.495) 1.540 2.919 ( -7.664 0.000 -4.256) 8.766 3.242 ( 3.995 -0.000 6.826) 7.909 3.333 ( -2.963 0.000 12.287) 12.639 3.338 ( -2.626 0.000 0.491) 2.672 3.428 ( -8.617 0.000 -1.891) 8.822 3.574 ( -0.129 0.000 -2.431) 2.434 3.625 ( 16.890 -0.000 -6.251) 18.010 3.737 ( 5.468 -0.000 0.680) 5.510 3.802 ( -8.913 0.000 -4.027) 9.781 4.548 ( -0.514 0.000 9.970) 9.984 4.630 ( 5.790 -0.000 -1.395) 5.956 4.730 ( -0.477 0.000 2.385) 2.432 4.832 ( -2.396 0.000 -6.443) 6.874 5.131 ( -2.563 0.000 -0.104) 2.565 5.153 ( 3.055 -0.000 -2.032) 3.669 5.379 ( -3.358 0.000 0.882) 3.471 5.386 ( 1.179 -0.000 0.509) 1.284 6.707 ( -2.702 0.000 5.392) 6.031 6.814 ( 2.783 -0.000 -6.152) 6.753 7.092 ( -1.877 0.000 0.381) 1.915 7.096 ( 2.410 -0.000 0.237) 2.422 7.838 ( -1.695 0.000 1.666) 2.377 7.873 ( 3.734 -0.000 -1.967) 4.221 8.167 ( 2.199 -0.000 0.784) 2.334 8.191 ( -5.691 0.000 -0.689) 5.733 8.359 ( -0.444 0.000 4.388) 4.410 8.480 ( 1.882 -0.000 -7.291) 7.530 9.108 ( -1.792 0.000 4.548) 4.888 9.150 ( 2.085 -0.000 -0.314) 2.109 9.299 ( -3.538 0.000 2.672) 4.434 9.380 ( 4.086 -0.000 -5.486) 6.840 9.811 ( -0.856 0.000 8.509) 8.552 9.953 ( 1.740 -0.000 -6.356) 6.589 10.027 ( 1.800 -0.000 0.303) 1.825 10.039 ( -3.155 0.000 -1.137) 3.353 10.367 ( -1.940 0.000 2.418) 3.100 10.408 ( 1.716 -0.000 -1.993) 2.630 ======================= Grid point 168 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -7.385 4.457 -2.417) 8.958 1.331 ( 4.819 3.886 3.550) 7.137 1.425 ( -7.138 -5.679 -4.193) 10.039 1.564 ( 3.886 -6.091 4.017) 8.266 1.743 ( -0.533 2.025 0.908) 2.282 1.767 ( -1.092 1.875 -0.481) 2.222 1.938 ( -0.433 -0.902 3.379) 3.524 1.967 ( -4.454 -1.252 0.005) 4.626 2.046 ( -0.061 -0.351 -1.536) 1.577 2.071 ( 5.368 -2.359 -3.179) 6.670 2.180 ( -0.009 5.388 -1.056) 5.490 2.197 ( 3.609 2.636 2.653) 5.197 2.246 ( -3.181 3.268 -1.025) 4.674 2.367 ( 5.360 -1.825 -5.273) 7.737 2.497 ( -1.069 -2.489 5.673) 6.287 2.591 ( -2.174 -3.488 -8.548) 9.485 2.794 ( -4.330 1.713 1.509) 4.895 2.900 ( -0.206 -1.384 1.593) 2.121 3.186 ( -2.907 7.492 5.463) 9.717 3.246 ( 3.388 9.008 7.665) 12.304 3.334 ( -2.581 1.207 3.042) 4.168 3.407 ( -3.619 -4.021 -2.864) 6.121 3.579 ( 2.790 0.937 -5.078) 5.869 3.678 ( 2.681 -2.387 -1.465) 3.877 3.806 ( -4.073 -8.035 -6.911) 11.354 3.954 ( 12.548 -6.345 1.907) 14.190 4.523 ( -3.827 2.441 2.886) 5.378 4.651 ( 3.753 2.409 -2.702) 5.214 4.764 ( 1.541 -0.086 4.310) 4.578 4.777 ( -1.974 0.239 -4.786) 5.183 5.091 ( -4.191 -0.257 0.774) 4.269 5.180 ( 1.995 -0.333 -1.908) 2.781 5.337 ( -2.881 1.134 1.146) 3.301 5.393 ( 2.116 1.697 1.591) 3.145 6.678 ( -6.998 -0.042 4.494) 8.317 6.794 ( -2.825 2.744 -3.720) 5.417 6.993 ( -5.578 3.253 -2.007) 6.762 7.078 ( 0.379 2.669 0.495) 2.741 7.840 ( -1.375 -1.401 0.874) 2.149 7.925 ( 3.491 -1.625 -3.714) 5.350 8.123 ( -5.443 1.160 0.227) 5.569 8.210 ( 2.942 -1.165 3.049) 4.394 8.366 ( -0.931 0.279 4.927) 5.022 8.478 ( 2.733 -0.233 -7.395) 7.887 9.101 ( -2.030 -0.078 3.689) 4.212 9.172 ( 1.922 -0.106 -1.597) 2.501 9.284 ( -2.622 -1.191 2.990) 4.152 9.411 ( 4.157 -0.256 -5.012) 6.517 9.834 ( -0.501 0.565 6.983) 7.024 9.946 ( 1.893 -0.132 -6.958) 7.212 10.004 ( -1.378 0.685 -0.115) 1.543 10.051 ( 2.436 0.140 1.234) 2.734 10.349 ( -2.295 0.317 2.221) 3.209 10.415 ( 1.625 0.500 -1.587) 2.326 ======================= Grid point 169 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -5.422 1.041 -3.261) 6.413 1.305 ( -2.441 0.339 -3.705) 4.450 1.417 ( -6.494 -1.938 1.805) 7.014 1.646 ( 1.202 5.484 -11.217) 12.543 1.700 ( -3.531 -2.752 5.036) 6.738 1.711 ( -0.849 1.301 5.668) 5.877 1.872 ( -9.917 4.426 -1.034) 10.909 1.959 ( -2.287 -1.455 -0.197) 2.717 2.040 ( 0.891 0.928 0.066) 1.288 2.081 ( 1.790 2.580 5.015) 5.917 2.127 ( -0.721 1.899 -0.361) 2.064 2.178 ( 3.450 -0.892 -3.540) 5.022 2.257 ( 8.351 -0.324 1.256) 8.451 2.490 ( 7.297 -5.002 -2.504) 9.194 2.521 ( -2.739 -2.630 -1.405) 4.049 2.648 ( 0.733 -4.442 2.772) 5.287 2.780 ( 0.226 -1.426 -1.025) 1.771 2.942 ( 0.972 -1.788 3.892) 4.392 3.105 ( 0.078 2.994 3.081) 4.297 3.147 ( 0.531 7.878 7.924) 11.186 3.295 ( -2.410 1.042 3.458) 4.342 3.421 ( 1.301 -0.456 -4.164) 4.386 3.556 ( 3.524 3.260 -5.776) 7.511 3.783 ( -0.634 -6.914 1.017) 7.017 3.862 ( -2.630 -6.147 -5.187) 8.463 4.095 ( 4.292 1.010 -1.591) 4.688 4.455 ( -0.642 2.681 0.656) 2.834 4.612 ( -1.951 2.664 -6.503) 7.293 4.726 ( -2.606 1.902 -3.164) 4.519 4.811 ( 3.659 -1.409 5.793) 6.996 5.066 ( -2.858 -0.711 2.403) 3.800 5.193 ( 1.088 -0.255 -1.984) 2.277 5.298 ( -1.312 0.715 1.127) 1.872 5.399 ( 2.566 1.594 1.999) 3.622 6.549 ( -13.441 8.703 -0.088) 16.013 6.573 ( -12.389 3.510 1.905) 13.016 6.978 ( 0.452 -3.021 -4.155) 5.157 7.048 ( 2.392 2.228 0.873) 3.383 7.842 ( -1.713 -0.310 -0.266) 1.761 7.941 ( -2.258 -0.603 -3.966) 4.604 8.043 ( -2.256 2.122 0.719) 3.179 8.281 ( 2.611 -1.782 3.303) 4.572 8.363 ( -1.068 0.770 4.131) 4.336 8.506 ( 3.990 -1.264 -5.160) 6.644 9.095 ( -1.960 -0.439 3.359) 3.914 9.184 ( 1.747 0.204 -2.167) 2.791 9.295 ( -2.511 -2.372 2.061) 4.022 9.437 ( 3.340 0.565 -3.852) 5.129 9.811 ( -1.589 2.294 1.818) 3.330 9.938 ( -1.603 0.002 -2.190) 2.714 10.012 ( 4.436 0.213 -1.070) 4.568 10.095 ( 3.542 -0.812 2.015) 4.155 10.319 ( -2.779 0.757 1.799) 3.396 10.421 ( 1.679 0.506 -0.704) 1.890 ======================= Grid point 170 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -2.455 -0.971 -2.423) 3.584 1.208 ( -10.902 1.928 0.571) 11.086 1.355 ( -4.970 -0.870 0.714) 5.095 1.480 ( -2.625 6.341 -11.875) 13.716 1.710 ( 1.132 -1.903 4.200) 4.748 1.751 ( -0.361 -1.399 1.272) 1.924 1.756 ( -2.869 0.485 2.244) 3.674 1.932 ( -2.213 1.477 -2.631) 3.741 2.027 ( 0.890 2.523 1.844) 3.249 2.065 ( 2.351 1.563 0.437) 2.856 2.126 ( 0.755 0.360 -1.014) 1.315 2.250 ( 2.829 -3.025 2.223) 4.701 2.369 ( 6.120 -1.697 -1.210) 6.466 2.527 ( -2.475 -2.300 0.750) 3.461 2.632 ( 6.541 -2.641 -1.492) 7.210 2.706 ( -0.623 0.077 3.206) 3.267 2.816 ( 0.125 -2.641 1.882) 3.245 2.990 ( 1.194 -0.836 3.423) 3.720 3.053 ( 0.525 2.995 -1.154) 3.252 3.153 ( 0.658 -2.812 5.283) 6.021 3.284 ( -2.302 -1.249 5.880) 6.437 3.403 ( 2.422 2.710 -6.036) 7.046 3.529 ( 5.027 3.760 -5.201) 8.152 3.838 ( -4.037 -3.258 -1.528) 5.408 3.895 ( -4.710 -4.980 -3.591) 7.738 4.095 ( 4.805 3.850 1.708) 6.390 4.400 ( -0.233 4.020 -2.337) 4.656 4.516 ( -3.310 0.800 -2.037) 3.968 4.638 ( -4.433 1.964 -3.086) 5.748 4.899 ( 3.066 -0.601 2.411) 3.946 5.057 ( -0.706 -0.306 1.455) 1.646 5.210 ( 1.063 -0.724 0.444) 1.361 5.296 ( 0.026 -0.527 0.920) 1.061 5.411 ( 2.005 0.904 0.855) 2.359 6.255 ( -10.816 6.813 0.119) 12.783 6.400 ( -11.039 2.260 0.530) 11.281 6.984 ( -0.392 0.140 -1.054) 1.133 7.087 ( 3.676 -1.156 -1.928) 4.309 7.798 ( -1.963 1.890 -0.970) 2.892 7.910 ( -2.614 -1.152 0.043) 2.857 8.010 ( -0.030 1.270 -1.861) 2.254 8.339 ( 1.405 -1.554 1.235) 2.432 8.351 ( -0.637 1.145 3.465) 3.705 8.556 ( 3.262 -1.079 -2.790) 4.426 9.097 ( -1.727 -0.726 3.736) 4.180 9.190 ( 1.667 0.656 -1.574) 2.385 9.309 ( -3.084 -2.780 -0.266) 4.160 9.442 ( 2.423 1.231 -2.342) 3.587 9.762 ( -1.220 1.871 0.537) 2.297 9.910 ( -1.280 0.294 -0.995) 1.648 10.053 ( 3.408 0.369 -0.136) 3.431 10.159 ( 3.546 -0.683 0.580) 3.657 10.279 ( -2.832 0.710 1.150) 3.138 10.435 ( 1.450 -0.003 0.693) 1.607 ======================= Grid point 176 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -11.313 0.000 -15.309) 19.035 1.189 ( -9.593 0.000 4.111) 10.437 1.494 ( -3.067 0.000 6.358) 7.059 1.516 ( 5.887 -0.000 7.266) 9.352 1.743 ( 1.568 -0.000 -8.619) 8.760 1.797 ( -3.700 0.000 3.300) 4.958 1.907 ( -0.341 0.000 -0.785) 0.856 1.934 ( -1.171 0.000 -0.450) 1.254 2.060 ( 2.117 -0.000 5.305) 5.712 2.113 ( 6.975 -0.000 -1.749) 7.191 2.230 ( -5.071 0.000 0.581) 5.104 2.267 ( 5.542 -0.000 -1.342) 5.702 2.270 ( 1.542 -0.000 -1.468) 2.129 2.334 ( -3.586 0.000 -10.444) 11.043 2.469 ( -0.949 0.000 -4.812) 4.905 2.510 ( 0.450 -0.000 9.881) 9.891 2.783 ( -1.626 0.000 2.694) 3.146 2.883 ( -2.800 0.000 7.117) 7.648 3.188 ( -11.407 0.000 5.404) 12.623 3.273 ( -5.725 0.000 1.335) 5.879 3.328 ( 3.278 -0.000 -3.547) 4.830 3.479 ( 9.965 -0.000 3.235) 10.477 3.624 ( -1.071 0.000 2.896) 3.087 3.659 ( 5.069 -0.000 -3.826) 6.351 3.704 ( 1.998 -0.000 -6.739) 7.029 4.050 ( 12.010 -0.000 -2.632) 12.295 4.504 ( -3.418 0.000 0.780) 3.506 4.647 ( -2.726 0.000 -11.349) 11.672 4.759 ( 0.687 -0.000 -1.216) 1.397 4.809 ( 1.815 -0.000 5.891) 6.164 5.036 ( -4.655 0.000 2.137) 5.122 5.188 ( 1.108 -0.000 -2.435) 2.675 5.329 ( -2.074 0.000 3.913) 4.429 5.433 ( 1.596 -0.000 1.445) 2.153 6.618 ( -8.435 0.000 5.848) 10.264 6.775 ( -2.122 0.000 -6.651) 6.981 6.927 ( -11.505 0.000 0.442) 11.514 7.021 ( -8.146 0.000 -1.578) 8.297 7.826 ( -0.085 0.000 0.342) 0.352 7.929 ( 1.395 -0.000 -5.360) 5.538 8.109 ( -0.765 0.000 2.126) 2.260 8.226 ( 0.287 -0.000 3.587) 3.598 8.378 ( -0.841 0.000 5.827) 5.888 8.483 ( 3.647 -0.000 -7.420) 8.267 9.087 ( -2.171 0.000 2.763) 3.514 9.185 ( 1.779 -0.000 -2.822) 3.336 9.259 ( -1.950 0.000 3.188) 3.737 9.448 ( 5.301 -0.000 -4.192) 6.758 9.870 ( 0.647 -0.000 6.432) 6.464 9.928 ( 0.126 -0.000 -5.822) 5.823 10.008 ( 1.599 -0.000 -1.665) 2.309 10.084 ( 2.279 -0.000 2.262) 3.211 10.331 ( -2.858 0.000 2.251) 3.638 10.432 ( 1.686 -0.000 -1.860) 2.511 ======================= Grid point 177 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -10.330 -0.474 -9.409) 13.981 1.149 ( -10.626 -4.779 2.965) 12.022 1.418 ( -5.228 4.116 5.869) 8.872 1.606 ( -4.599 -2.209 -1.448) 5.303 1.705 ( -2.911 3.089 -2.225) 4.792 1.721 ( 0.673 1.962 -3.019) 3.663 1.865 ( -7.492 2.072 0.464) 7.787 1.927 ( 2.251 0.240 0.777) 2.393 2.089 ( 1.225 2.178 -2.093) 3.259 2.128 ( 2.260 0.910 5.688) 6.188 2.184 ( -1.522 3.939 0.683) 4.278 2.218 ( 7.705 -0.144 -3.196) 8.343 2.341 ( 4.045 -1.247 -1.545) 4.506 2.373 ( -1.198 -7.587 -2.284) 8.013 2.503 ( 4.562 -1.307 -2.712) 5.466 2.587 ( -0.114 -4.173 8.153) 9.160 2.780 ( 0.549 0.204 2.332) 2.405 2.902 ( -4.022 -4.378 5.197) 7.897 3.092 ( -4.479 1.563 1.707) 5.042 3.207 ( -4.367 1.763 3.921) 6.128 3.351 ( 3.460 1.682 -0.773) 3.924 3.526 ( 4.513 2.426 -6.784) 8.502 3.641 ( 0.036 -0.916 3.815) 3.924 3.650 ( 4.573 3.891 -2.779) 6.617 3.804 ( 4.675 -4.250 0.490) 6.337 4.131 ( 2.937 -0.373 -5.424) 6.180 4.491 ( 1.975 0.059 0.290) 1.997 4.554 ( -5.818 0.514 -11.270) 12.693 4.730 ( -1.888 3.152 -2.628) 4.517 4.839 ( 0.574 -1.465 3.976) 4.276 5.034 ( -0.786 -1.408 5.520) 5.751 5.185 ( 0.367 -0.063 -3.300) 3.321 5.318 ( -0.608 1.255 5.170) 5.354 5.447 ( 1.083 0.515 1.111) 1.635 6.495 ( -10.964 3.674 3.973) 12.226 6.566 ( -13.765 11.647 -1.587) 18.101 6.859 ( -5.650 -5.475 -5.078) 9.364 6.984 ( -7.093 -6.697 -0.587) 9.773 7.828 ( -0.243 -0.088 -0.425) 0.498 7.901 ( -2.241 0.525 -3.704) 4.360 8.087 ( 0.825 3.334 0.989) 3.574 8.259 ( -1.325 -3.237 1.870) 3.966 8.385 ( -0.381 0.940 5.464) 5.558 8.518 ( 4.869 -1.091 -4.776) 6.907 9.076 ( -1.904 -0.353 2.776) 3.385 9.193 ( 1.660 -0.225 -3.796) 4.149 9.258 ( -1.280 -0.576 3.115) 3.417 9.489 ( 5.376 1.122 -2.899) 6.210 9.858 ( 0.346 3.445 0.948) 3.590 9.917 ( -0.925 -0.114 -0.827) 1.247 10.045 ( 4.104 -1.249 -2.251) 4.845 10.125 ( 2.527 -0.743 2.895) 3.914 10.300 ( -3.599 0.344 1.915) 4.091 10.441 ( 1.639 0.260 -1.786) 2.438 ======================= Grid point 178 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -7.274 -5.699 -6.684) 11.405 1.081 ( -13.689 -0.863 8.741) 16.265 1.301 ( -6.973 1.372 6.870) 9.884 1.466 ( -6.664 1.804 -11.001) 12.987 1.667 ( -2.525 -0.612 0.674) 2.684 1.732 ( 5.090 -0.133 -3.591) 6.231 1.830 ( 0.356 -0.140 6.386) 6.397 1.934 ( 0.514 1.790 -1.072) 2.149 2.067 ( -1.421 0.234 -1.536) 2.105 2.100 ( -0.222 2.754 -4.473) 5.258 2.169 ( 4.228 2.221 3.437) 5.884 2.301 ( 5.363 1.457 3.718) 6.686 2.384 ( 0.696 -2.036 -4.134) 4.660 2.472 ( 0.647 -4.743 0.929) 4.876 2.570 ( 1.093 -3.347 -0.532) 3.561 2.676 ( -0.727 -4.046 4.144) 5.837 2.806 ( 0.808 -0.974 2.019) 2.382 2.968 ( -4.429 -6.815 5.265) 9.684 3.055 ( 2.578 1.429 -1.917) 3.516 3.142 ( -3.793 2.769 4.866) 6.762 3.345 ( 2.456 3.692 3.232) 5.487 3.487 ( 2.071 2.577 -9.706) 10.253 3.618 ( 1.577 1.940 -5.854) 6.366 3.696 ( 3.143 -1.164 5.249) 6.228 3.871 ( 1.825 0.115 -2.195) 2.857 4.161 ( 2.536 -1.739 0.390) 3.100 4.396 ( -8.327 3.169 -7.972) 11.955 4.527 ( 3.018 0.591 0.623) 3.138 4.630 ( -2.325 3.799 -2.531) 5.123 4.895 ( -0.268 -2.632 0.948) 2.810 5.059 ( 0.137 0.264 3.004) 3.019 5.190 ( 0.344 -1.611 -1.498) 2.227 5.317 ( 0.443 1.274 4.772) 4.959 5.452 ( 1.303 1.055 0.426) 1.730 6.238 ( -12.075 7.238 0.152) 14.079 6.325 ( -9.140 2.506 1.574) 9.607 6.860 ( -8.307 -6.287 -2.906) 10.815 7.045 ( -1.964 -6.380 -2.745) 7.218 7.804 ( -0.849 1.236 -2.130) 2.605 7.873 ( -1.100 -0.775 0.784) 1.558 8.046 ( 0.947 2.885 -1.080) 3.223 8.297 ( -2.147 -3.671 -1.340) 4.458 8.382 ( 0.211 1.506 4.681) 4.922 8.573 ( 3.834 -0.613 -2.437) 4.584 9.077 ( -1.606 -0.776 3.344) 3.789 9.204 ( 1.752 -0.441 -4.078) 4.460 9.268 ( -0.412 -0.346 3.474) 3.516 9.508 ( 4.696 2.657 -1.779) 5.682 9.803 ( 0.263 3.623 0.075) 3.633 9.902 ( -0.726 0.375 -0.063) 0.820 10.087 ( 2.087 0.284 -0.704) 2.221 10.182 ( 2.248 -0.898 0.698) 2.519 10.256 ( -3.366 0.190 1.049) 3.531 10.449 ( 0.876 0.035 -0.732) 1.142 ======================= Grid point 185 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -11.228 0.000 -3.667) 11.811 1.011 ( -9.246 0.000 6.600) 11.360 1.398 ( -6.750 0.000 1.039) 6.829 1.533 ( -7.462 0.000 -4.675) 8.806 1.677 ( -5.801 0.000 4.894) 7.590 1.694 ( -15.981 0.000 1.361) 16.039 1.783 ( 3.111 -0.000 -5.057) 5.938 1.977 ( 3.452 -0.000 -0.569) 3.499 2.053 ( -5.432 0.000 -2.900) 6.157 2.192 ( 0.641 -0.000 2.469) 2.551 2.221 ( 6.294 -0.000 6.353) 8.942 2.316 ( 7.287 -0.000 -9.654) 12.096 2.322 ( 5.162 -0.000 6.719) 8.473 2.348 ( 2.071 -0.000 -2.369) 3.147 2.552 ( 6.773 -0.000 -3.404) 7.581 2.588 ( -0.989 0.000 10.319) 10.366 2.804 ( -4.437 0.000 0.724) 4.496 2.808 ( 0.431 -0.000 3.837) 3.861 3.099 ( 0.520 -0.000 0.914) 1.052 3.166 ( -3.919 0.000 -2.267) 4.528 3.401 ( 2.789 -0.000 -1.311) 3.081 3.497 ( -1.892 0.000 -4.451) 4.836 3.673 ( -0.543 0.000 -4.231) 4.265 3.746 ( 5.599 -0.000 4.626) 7.263 3.886 ( 9.383 -0.000 8.475) 12.644 4.108 ( -1.005 0.000 -8.068) 8.130 4.443 ( -6.407 0.000 -13.266) 14.732 4.506 ( 1.986 -0.000 -2.073) 2.871 4.749 ( -1.014 0.000 -1.284) 1.636 4.806 ( -1.946 0.000 2.227) 2.957 5.063 ( 2.240 -0.000 7.633) 7.954 5.175 ( 0.129 -0.000 -3.837) 3.839 5.356 ( 1.151 -0.000 7.582) 7.668 5.449 ( -0.762 0.000 0.168) 0.780 6.421 ( -12.814 0.000 6.152) 14.214 6.606 ( -7.865 0.000 -10.353) 13.002 6.645 ( -12.724 0.000 2.321) 12.933 6.752 ( -12.577 0.000 -3.886) 13.164 7.825 ( -0.236 0.000 0.052) 0.242 7.866 ( -2.409 0.000 -3.632) 4.358 8.142 ( 1.066 -0.000 0.015) 1.066 8.180 ( -5.639 0.000 0.612) 5.672 8.419 ( 0.442 -0.000 6.641) 6.656 8.553 ( 5.637 -0.000 -4.057) 6.946 9.064 ( -1.550 0.000 3.086) 3.454 9.192 ( 1.596 -0.000 -5.119) 5.362 9.265 ( 0.674 -0.000 4.326) 4.378 9.560 ( 6.081 -0.000 -1.225) 6.203 9.894 ( -0.353 0.000 -2.429) 2.454 9.921 ( 1.125 -0.000 2.260) 2.525 10.068 ( 4.743 -0.000 -3.294) 5.775 10.154 ( 1.624 -0.000 3.603) 3.952 10.262 ( -4.767 0.000 1.592) 5.026 10.451 ( 1.255 -0.000 -3.119) 3.362 ======================= Grid point 186 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -6.068 -2.867 4.944) 8.335 0.949 ( -12.978 -0.939 11.814) 17.576 1.287 ( -6.825 3.614 3.652) 8.543 1.344 ( -7.158 -0.430 -11.156) 13.262 1.594 ( -9.712 -4.189 0.768) 10.605 1.709 ( -7.741 -8.082 7.159) 13.285 1.807 ( 5.922 1.085 -3.165) 6.802 2.002 ( 2.518 2.787 -0.883) 3.858 2.010 ( -1.651 -1.588 -1.033) 2.513 2.148 ( 0.055 5.327 -3.440) 6.342 2.288 ( 4.979 2.341 4.704) 7.239 2.318 ( -0.541 0.026 0.534) 0.760 2.398 ( 2.466 0.100 3.202) 4.043 2.438 ( 5.595 -2.425 -3.557) 7.059 2.595 ( 4.393 0.509 -2.541) 5.100 2.635 ( 0.272 -1.763 6.894) 7.121 2.803 ( 1.122 -2.102 -0.157) 2.388 2.851 ( -1.116 -3.908 3.968) 5.680 3.080 ( -0.668 1.509 -5.425) 5.671 3.136 ( -1.376 -0.986 -1.182) 2.064 3.402 ( -0.693 0.450 -0.212) 0.853 3.459 ( -1.300 0.447 -5.096) 5.278 3.652 ( 1.641 1.267 -1.458) 2.534 3.797 ( 3.528 2.467 5.722) 7.161 3.954 ( 5.555 4.648 1.231) 7.347 4.122 ( 0.830 -4.352 -0.606) 4.471 4.303 ( -8.417 1.533 -7.919) 11.658 4.526 ( 0.404 -1.905 -4.093) 4.533 4.694 ( 1.122 3.750 -0.271) 3.924 4.835 ( -1.437 -2.698 0.486) 3.095 5.095 ( 0.870 1.671 3.592) 4.056 5.169 ( 0.385 -0.879 -1.634) 1.895 5.374 ( 0.662 2.690 6.137) 6.733 5.474 ( 2.415 -1.196 1.848) 3.267 6.218 ( -13.728 8.081 0.948) 15.958 6.290 ( -9.315 5.809 1.460) 11.074 6.619 ( -11.332 -6.989 -4.199) 13.960 6.799 ( -8.127 -15.500 -5.190) 18.255 7.803 ( -0.955 1.028 -1.947) 2.400 7.852 ( -0.430 -1.576 -0.066) 1.635 8.085 ( -2.399 2.049 -0.616) 3.214 8.181 ( -4.121 -3.613 -1.257) 5.623 8.437 ( 1.087 1.511 5.985) 6.268 8.603 ( 4.199 -0.208 -3.201) 5.284 9.064 ( -1.243 -0.382 3.679) 3.902 9.194 ( 1.604 -0.453 -5.646) 5.887 9.306 ( 3.601 0.273 6.006) 7.009 9.606 ( 5.230 2.300 0.507) 5.736 9.866 ( 0.620 2.522 -2.050) 3.309 9.916 ( 0.966 1.997 1.236) 2.540 10.109 ( 1.969 0.437 -1.293) 2.396 10.181 ( -2.483 0.008 0.840) 2.621 10.219 ( -1.040 -1.467 0.764) 1.954 10.446 ( -0.395 -0.159 -3.192) 3.220 ======================= Grid point 194 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -3.860 0.000 18.841) 19.232 0.859 ( -11.957 0.000 15.137) 19.290 1.214 ( -3.966 0.000 -16.249) 16.726 1.243 ( -6.537 0.000 -13.765) 15.239 1.371 ( -14.340 0.000 24.081) 28.028 1.639 ( -1.400 0.000 6.764) 6.908 1.852 ( 2.910 -0.000 -2.090) 3.583 1.988 ( -1.109 0.000 -0.305) 1.150 2.047 ( 1.524 -0.000 -0.501) 1.604 2.188 ( -0.760 0.000 -4.639) 4.700 2.322 ( -1.740 0.000 1.957) 2.619 2.373 ( 4.019 -0.000 -3.507) 5.334 2.410 ( 4.734 -0.000 2.797) 5.498 2.489 ( 3.797 -0.000 -2.428) 4.507 2.624 ( -0.101 0.000 7.325) 7.326 2.696 ( 8.966 -0.000 -5.272) 10.401 2.778 ( 0.414 -0.000 2.049) 2.090 2.846 ( 0.851 -0.000 2.677) 2.809 3.040 ( -4.054 0.000 -7.882) 8.863 3.101 ( -0.146 0.000 -5.101) 5.103 3.357 ( -4.927 0.000 0.314) 4.937 3.440 ( -1.009 0.000 -3.185) 3.341 3.685 ( 2.416 -0.000 2.459) 3.447 3.886 ( 2.383 -0.000 6.415) 6.843 4.063 ( 2.217 -0.000 -2.388) 3.258 4.081 ( 2.931 -0.000 -0.608) 2.993 4.212 ( -6.040 0.000 0.536) 6.064 4.479 ( -1.404 0.000 -5.658) 5.830 4.726 ( 0.751 -0.000 -1.645) 1.808 4.813 ( -0.105 0.000 1.160) 1.165 5.137 ( -0.511 0.000 3.360) 3.399 5.146 ( -0.051 0.000 -3.573) 3.573 5.451 ( 1.980 -0.000 1.956) 2.783 5.524 ( 8.677 -0.000 8.504) 12.149 6.157 ( -12.177 0.000 5.334) 13.293 6.267 ( -14.698 0.000 -8.428) 16.943 6.416 ( -9.982 0.000 3.466) 10.567 6.430 ( -10.879 0.000 -7.235) 13.065 7.800 ( -1.264 0.000 -1.937) 2.313 7.814 ( -0.961 0.000 0.027) 0.962 8.037 ( -5.500 0.000 2.216) 5.930 8.135 ( -0.971 0.000 -1.458) 1.752 8.483 ( 0.730 -0.000 6.307) 6.349 8.633 ( 3.352 -0.000 -4.154) 5.337 9.063 ( -0.993 0.000 4.204) 4.320 9.189 ( 1.751 -0.000 -6.031) 6.280 9.403 ( 8.902 -0.000 7.135) 11.408 9.684 ( 3.372 -0.000 3.388) 4.780 9.874 ( -0.177 0.000 -1.483) 1.494 9.973 ( 3.432 -0.000 -0.439) 3.460 10.117 ( -7.824 0.000 -0.753) 7.860 10.146 ( 3.533 -0.000 -3.480) 4.960 10.210 ( 0.840 -0.000 2.352) 2.498 10.404 ( -3.882 0.000 -4.882) 6.237 =================== 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 3/17280 10.0 51.471 42.301 65.814 0.000 -1.681 -0.000 3/17280 20.0 11.390 7.464 15.432 0.000 0.329 -0.000 3/17280 30.0 5.567 3.537 7.617 0.000 0.280 -0.000 3/17280 40.0 3.650 2.305 4.971 0.000 0.203 -0.000 3/17280 50.0 2.745 1.729 3.708 0.000 0.155 -0.000 3/17280 60.0 2.225 1.398 2.975 0.000 0.124 -0.000 3/17280 70.0 1.886 1.182 2.497 0.000 0.103 -0.000 3/17280 80.0 1.647 1.030 2.159 0.000 0.087 -0.000 3/17280 90.0 1.468 0.915 1.906 0.000 0.075 -0.000 3/17280 100.0 1.327 0.826 1.711 0.000 0.065 -0.000 3/17280 110.0 1.213 0.753 1.554 0.000 0.057 -0.000 3/17280 120.0 1.119 0.693 1.425 0.000 0.050 -0.000 3/17280 130.0 1.039 0.642 1.317 0.000 0.045 -0.000 3/17280 140.0 0.970 0.599 1.225 0.000 0.040 -0.000 3/17280 150.0 0.910 0.561 1.146 0.000 0.036 -0.000 3/17280 160.0 0.858 0.527 1.077 0.000 0.033 -0.000 3/17280 170.0 0.811 0.498 1.016 0.000 0.030 -0.000 3/17280 180.0 0.769 0.471 0.961 0.000 0.028 -0.000 3/17280 190.0 0.731 0.448 0.913 0.000 0.026 -0.000 3/17280 200.0 0.697 0.426 0.869 0.000 0.024 -0.000 3/17280 210.0 0.666 0.407 0.829 0.000 0.022 -0.000 3/17280 220.0 0.638 0.389 0.792 0.000 0.021 -0.000 3/17280 230.0 0.611 0.373 0.759 0.000 0.019 -0.000 3/17280 240.0 0.587 0.358 0.729 0.000 0.018 -0.000 3/17280 250.0 0.565 0.344 0.701 0.000 0.017 -0.000 3/17280 260.0 0.545 0.331 0.675 0.000 0.016 -0.000 3/17280 270.0 0.525 0.319 0.650 0.000 0.015 -0.000 3/17280 280.0 0.507 0.308 0.628 0.000 0.015 -0.000 3/17280 290.0 0.491 0.298 0.607 0.000 0.014 -0.000 3/17280 300.0 0.475 0.288 0.587 0.000 0.013 -0.000 3/17280 310.0 0.460 0.279 0.569 0.000 0.013 -0.000 3/17280 320.0 0.447 0.271 0.552 0.000 0.012 -0.000 3/17280 330.0 0.434 0.263 0.535 0.000 0.012 -0.000 3/17280 340.0 0.421 0.255 0.520 0.000 0.011 -0.000 3/17280 350.0 0.410 0.248 0.506 0.000 0.011 -0.000 3/17280 360.0 0.399 0.241 0.492 0.000 0.010 -0.000 3/17280 370.0 0.388 0.235 0.479 0.000 0.010 -0.000 3/17280 380.0 0.378 0.229 0.467 0.000 0.010 -0.000 3/17280 390.0 0.369 0.223 0.455 0.000 0.009 -0.000 3/17280 400.0 0.360 0.218 0.444 0.000 0.009 -0.000 3/17280 410.0 0.352 0.212 0.433 0.000 0.009 -0.000 3/17280 420.0 0.343 0.207 0.423 0.000 0.008 -0.000 3/17280 430.0 0.336 0.203 0.414 0.000 0.008 -0.000 3/17280 440.0 0.328 0.198 0.404 0.000 0.008 -0.000 3/17280 450.0 0.321 0.194 0.396 0.000 0.008 -0.000 3/17280 460.0 0.314 0.190 0.387 0.000 0.008 -0.000 3/17280 470.0 0.308 0.186 0.379 0.000 0.007 -0.000 3/17280 480.0 0.301 0.182 0.371 0.000 0.007 -0.000 3/17280 490.0 0.295 0.178 0.364 0.000 0.007 -0.000 3/17280 500.0 0.290 0.175 0.357 0.000 0.007 -0.000 3/17280 510.0 0.284 0.171 0.350 0.000 0.007 -0.000 3/17280 520.0 0.279 0.168 0.343 0.000 0.006 -0.000 3/17280 530.0 0.274 0.165 0.337 0.000 0.006 -0.000 3/17280 540.0 0.269 0.162 0.331 0.000 0.006 -0.000 3/17280 550.0 0.264 0.159 0.325 0.000 0.006 -0.000 3/17280 560.0 0.259 0.156 0.319 0.000 0.006 -0.000 3/17280 570.0 0.255 0.154 0.314 0.000 0.006 -0.000 3/17280 580.0 0.250 0.151 0.308 0.000 0.006 -0.000 3/17280 590.0 0.246 0.148 0.303 0.000 0.006 -0.000 3/17280 600.0 0.242 0.146 0.298 0.000 0.005 -0.000 3/17280 610.0 0.238 0.144 0.293 0.000 0.005 -0.000 3/17280 620.0 0.235 0.141 0.289 0.000 0.005 -0.000 3/17280 630.0 0.231 0.139 0.284 0.000 0.005 -0.000 3/17280 640.0 0.227 0.137 0.280 0.000 0.005 -0.000 3/17280 650.0 0.224 0.135 0.276 0.000 0.005 -0.000 3/17280 660.0 0.221 0.133 0.271 0.000 0.005 -0.000 3/17280 670.0 0.217 0.131 0.267 0.000 0.005 -0.000 3/17280 680.0 0.214 0.129 0.264 0.000 0.005 -0.000 3/17280 690.0 0.211 0.127 0.260 0.000 0.005 -0.000 3/17280 700.0 0.208 0.125 0.256 0.000 0.005 -0.000 3/17280 710.0 0.205 0.124 0.253 0.000 0.004 -0.000 3/17280 720.0 0.202 0.122 0.249 0.000 0.004 -0.000 3/17280 730.0 0.200 0.120 0.246 0.000 0.004 -0.000 3/17280 740.0 0.197 0.119 0.242 0.000 0.004 -0.000 3/17280 750.0 0.194 0.117 0.239 0.000 0.004 -0.000 3/17280 760.0 0.192 0.115 0.236 0.000 0.004 -0.000 3/17280 770.0 0.189 0.114 0.233 0.000 0.004 -0.000 3/17280 780.0 0.187 0.113 0.230 0.000 0.004 -0.000 3/17280 790.0 0.185 0.111 0.227 0.000 0.004 -0.000 3/17280 800.0 0.182 0.110 0.224 0.000 0.004 -0.000 3/17280 810.0 0.180 0.108 0.222 0.000 0.004 -0.000 3/17280 820.0 0.178 0.107 0.219 0.000 0.004 -0.000 3/17280 830.0 0.176 0.106 0.216 0.000 0.004 -0.000 3/17280 840.0 0.174 0.105 0.214 0.000 0.004 -0.000 3/17280 850.0 0.172 0.103 0.211 0.000 0.004 -0.000 3/17280 860.0 0.170 0.102 0.209 0.000 0.004 -0.000 3/17280 870.0 0.168 0.101 0.207 0.000 0.004 -0.000 3/17280 880.0 0.166 0.100 0.204 0.000 0.004 -0.000 3/17280 890.0 0.164 0.099 0.202 0.000 0.003 -0.000 3/17280 900.0 0.162 0.098 0.200 0.000 0.003 -0.000 3/17280 910.0 0.161 0.097 0.198 0.000 0.003 -0.000 3/17280 920.0 0.159 0.095 0.195 0.000 0.003 -0.000 3/17280 930.0 0.157 0.094 0.193 0.000 0.003 -0.000 3/17280 940.0 0.155 0.093 0.191 0.000 0.003 -0.000 3/17280 950.0 0.154 0.092 0.189 0.000 0.003 -0.000 3/17280 960.0 0.152 0.092 0.187 0.000 0.003 -0.000 3/17280 970.0 0.151 0.091 0.185 0.000 0.003 -0.000 3/17280 980.0 0.149 0.090 0.184 0.000 0.003 -0.000 3/17280 990.0 0.148 0.089 0.182 0.000 0.003 -0.000 3/17280 1000.0 0.146 0.088 0.180 0.000 0.003 -0.000 3/17280 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:10:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|