----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:24:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] 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 5.985837175509150 -2.990676165000000 0.000000000000000 b 5.985837175509150 2.990676165000000 0.000000000000000 c -2.504028342068688 0.000000000000000 9.159389849364507 Atomic positions (fractional): *1 O 0.25061941588336 0.90488480469247 0.93946069880058 15.999 2 O 0.09511519530753 0.74938058411664 0.56053930119942 15.999 3 O 0.74938058411664 0.09511519530753 0.06053930119942 15.999 4 O 0.90488480469247 0.25061941588336 0.43946069880058 15.999 *5 Cl 0.49499222951059 0.89311902423583 0.64398692511037 35.453 6 Cl 0.10688097576417 0.50500777048941 0.85601307488963 35.453 7 Cl 0.50500777048941 0.10688097576417 0.35601307488963 35.453 8 Cl 0.89311902423583 0.49499222951059 0.14398692511037 35.453 *9 Hg 0.14503517253370 0.75104184029433 0.10321799904079 200.590 10 Hg 0.24895815970567 0.85496482746630 0.39678200095921 200.590 11 Hg 0.85496482746630 0.24895815970567 0.89678200095921 200.590 12 Hg 0.75104184029433 0.14503517253370 0.60321799904079 200.590 *13 Hg 0.59389192012921 0.40610807987079 0.25000000000000 200.590 14 Hg 0.40610807987079 0.59389192012921 0.75000000000000 200.590 *15 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 16 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.971674351018301 0.000000000000000 0.000000000000000 b 0.000000000000000 5.981352330000000 0.000000000000000 c -2.504028342068688 0.000000000000000 9.159389849364507 Atomic positions (fractional): *1 O 0.07775211028791 0.82713269440455 0.93946069880058 15.999 > 1 2 O 0.42224788971208 0.32713269440455 0.56053930119942 15.999 > 2 3 O 0.42224788971208 0.67286730559545 0.06053930119942 15.999 > 3 4 O 0.07775211028791 0.17286730559545 0.43946069880058 15.999 > 4 5 O 0.57775211028791 0.32713269440455 0.93946069880058 15.999 > 1 6 O 0.92224788971209 0.82713269440455 0.56053930119942 15.999 > 2 7 O 0.92224788971209 0.17286730559545 0.06053930119942 15.999 > 3 8 O 0.57775211028791 0.67286730559545 0.43946069880058 15.999 > 4 *9 Cl 0.19405562687321 0.69906339736262 0.64398692511037 35.453 > 5 10 Cl 0.30594437312679 0.19906339736262 0.85601307488963 35.453 > 6 11 Cl 0.30594437312679 0.80093660263738 0.35601307488963 35.453 > 7 12 Cl 0.19405562687321 0.30093660263738 0.14398692511037 35.453 > 8 13 Cl 0.69405562687321 0.19906339736262 0.64398692511037 35.453 > 5 14 Cl 0.80594437312679 0.69906339736262 0.85601307488963 35.453 > 6 15 Cl 0.80594437312679 0.30093660263738 0.35601307488963 35.453 > 7 16 Cl 0.69405562687321 0.80093660263738 0.14398692511037 35.453 > 8 *17 Hg 0.44803850641401 0.30300333388031 0.10321799904079 200.590 > 9 18 Hg 0.05196149358599 0.80300333388031 0.39678200095921 200.590 > 10 19 Hg 0.05196149358599 0.19699666611969 0.89678200095921 200.590 > 11 20 Hg 0.44803850641401 0.69699666611969 0.60321799904079 200.590 > 12 *21 Hg 0.00000000000000 0.40610807987079 0.25000000000000 200.590 > 13 22 Hg 0.00000000000000 0.59389192012921 0.75000000000000 200.590 > 14 *23 Hg 0.25000000000000 0.75000000000000 0.00000000000000 200.590 > 15 24 Hg 0.25000000000000 0.25000000000000 0.50000000000000 200.590 > 16 25 Hg 0.94803850641401 0.80300333388031 0.10321799904079 200.590 > 9 26 Hg 0.55196149358599 0.30300333388031 0.39678200095921 200.590 > 10 27 Hg 0.55196149358599 0.69699666611969 0.89678200095921 200.590 > 11 28 Hg 0.94803850641401 0.19699666611969 0.60321799904079 200.590 > 12 29 Hg 0.50000000000000 0.90610807987079 0.25000000000000 200.590 > 13 30 Hg 0.50000000000000 0.09389192012921 0.75000000000000 200.590 > 14 31 Hg 0.75000000000000 0.25000000000000 0.00000000000000 200.590 > 15 32 Hg 0.75000000000000 0.75000000000000 0.50000000000000 200.590 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.971674351018301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.962704660000000 0.000000000000000 c -5.008056684137376 0.000000000000000 18.318779698729013 Atomic positions (fractional): *1 O 0.07775211028791 0.41356634720228 0.46973034940029 15.999 > 1 2 O 0.07775211028791 0.91356634720228 0.46973034940029 15.999 > 1 3 O 0.07775211028791 0.41356634720228 0.96973034940029 15.999 > 1 4 O 0.07775211028791 0.91356634720228 0.96973034940029 15.999 > 1 5 O 0.42224788971208 0.16356634720228 0.28026965059971 15.999 > 2 6 O 0.42224788971208 0.66356634720228 0.28026965059971 15.999 > 2 7 O 0.42224788971208 0.16356634720228 0.78026965059971 15.999 > 2 8 O 0.42224788971208 0.66356634720228 0.78026965059971 15.999 > 2 9 O 0.42224788971208 0.33643365279772 0.03026965059971 15.999 > 3 10 O 0.42224788971208 0.83643365279772 0.03026965059971 15.999 > 3 11 O 0.42224788971208 0.33643365279772 0.53026965059971 15.999 > 3 12 O 0.42224788971208 0.83643365279772 0.53026965059971 15.999 > 3 13 O 0.07775211028791 0.08643365279772 0.21973034940029 15.999 > 4 14 O 0.07775211028791 0.58643365279772 0.21973034940029 15.999 > 4 15 O 0.07775211028791 0.08643365279772 0.71973034940029 15.999 > 4 16 O 0.07775211028791 0.58643365279772 0.71973034940029 15.999 > 4 17 O 0.57775211028791 0.16356634720228 0.46973034940029 15.999 > 1 18 O 0.57775211028791 0.66356634720228 0.46973034940029 15.999 > 1 19 O 0.57775211028791 0.16356634720228 0.96973034940029 15.999 > 1 20 O 0.57775211028791 0.66356634720228 0.96973034940029 15.999 > 1 21 O 0.92224788971209 0.41356634720228 0.28026965059971 15.999 > 2 22 O 0.92224788971209 0.91356634720228 0.28026965059971 15.999 > 2 23 O 0.92224788971209 0.41356634720228 0.78026965059971 15.999 > 2 24 O 0.92224788971209 0.91356634720228 0.78026965059971 15.999 > 2 25 O 0.92224788971209 0.08643365279772 0.03026965059971 15.999 > 3 26 O 0.92224788971209 0.58643365279772 0.03026965059971 15.999 > 3 27 O 0.92224788971209 0.08643365279772 0.53026965059971 15.999 > 3 28 O 0.92224788971209 0.58643365279772 0.53026965059971 15.999 > 3 29 O 0.57775211028791 0.33643365279772 0.21973034940029 15.999 > 4 30 O 0.57775211028791 0.83643365279772 0.21973034940029 15.999 > 4 31 O 0.57775211028791 0.33643365279772 0.71973034940029 15.999 > 4 32 O 0.57775211028791 0.83643365279772 0.71973034940029 15.999 > 4 *33 Cl 0.19405562687321 0.34953169868131 0.32199346255519 35.453 > 5 34 Cl 0.19405562687321 0.84953169868131 0.32199346255519 35.453 > 5 35 Cl 0.19405562687321 0.34953169868131 0.82199346255519 35.453 > 5 36 Cl 0.19405562687321 0.84953169868131 0.82199346255519 35.453 > 5 37 Cl 0.30594437312679 0.09953169868131 0.42800653744481 35.453 > 6 38 Cl 0.30594437312679 0.59953169868131 0.42800653744481 35.453 > 6 39 Cl 0.30594437312679 0.09953169868131 0.92800653744481 35.453 > 6 40 Cl 0.30594437312679 0.59953169868131 0.92800653744481 35.453 > 6 41 Cl 0.30594437312679 0.40046830131869 0.17800653744481 35.453 > 7 42 Cl 0.30594437312679 0.90046830131869 0.17800653744481 35.453 > 7 43 Cl 0.30594437312679 0.40046830131869 0.67800653744481 35.453 > 7 44 Cl 0.30594437312679 0.90046830131869 0.67800653744481 35.453 > 7 45 Cl 0.19405562687321 0.15046830131869 0.07199346255519 35.453 > 8 46 Cl 0.19405562687321 0.65046830131869 0.07199346255519 35.453 > 8 47 Cl 0.19405562687321 0.15046830131869 0.57199346255519 35.453 > 8 48 Cl 0.19405562687321 0.65046830131869 0.57199346255519 35.453 > 8 49 Cl 0.69405562687321 0.09953169868131 0.32199346255519 35.453 > 5 50 Cl 0.69405562687321 0.59953169868131 0.32199346255519 35.453 > 5 51 Cl 0.69405562687321 0.09953169868131 0.82199346255519 35.453 > 5 52 Cl 0.69405562687321 0.59953169868131 0.82199346255519 35.453 > 5 53 Cl 0.80594437312679 0.34953169868131 0.42800653744481 35.453 > 6 54 Cl 0.80594437312679 0.84953169868131 0.42800653744481 35.453 > 6 55 Cl 0.80594437312679 0.34953169868131 0.92800653744481 35.453 > 6 56 Cl 0.80594437312679 0.84953169868131 0.92800653744481 35.453 > 6 57 Cl 0.80594437312679 0.15046830131869 0.17800653744481 35.453 > 7 58 Cl 0.80594437312679 0.65046830131869 0.17800653744481 35.453 > 7 59 Cl 0.80594437312679 0.15046830131869 0.67800653744481 35.453 > 7 60 Cl 0.80594437312679 0.65046830131869 0.67800653744481 35.453 > 7 61 Cl 0.69405562687321 0.40046830131869 0.07199346255519 35.453 > 8 62 Cl 0.69405562687321 0.90046830131869 0.07199346255519 35.453 > 8 63 Cl 0.69405562687321 0.40046830131869 0.57199346255519 35.453 > 8 64 Cl 0.69405562687321 0.90046830131869 0.57199346255519 35.453 > 8 *65 Hg 0.44803850641401 0.15150166694016 0.05160899952039 200.590 > 9 66 Hg 0.44803850641401 0.65150166694016 0.05160899952039 200.590 > 9 67 Hg 0.44803850641401 0.15150166694016 0.55160899952039 200.590 > 9 68 Hg 0.44803850641401 0.65150166694016 0.55160899952039 200.590 > 9 69 Hg 0.05196149358599 0.40150166694016 0.19839100047961 200.590 > 10 70 Hg 0.05196149358599 0.90150166694016 0.19839100047961 200.590 > 10 71 Hg 0.05196149358599 0.40150166694016 0.69839100047961 200.590 > 10 72 Hg 0.05196149358599 0.90150166694016 0.69839100047961 200.590 > 10 73 Hg 0.05196149358599 0.09849833305984 0.44839100047961 200.590 > 11 74 Hg 0.05196149358599 0.59849833305984 0.44839100047961 200.590 > 11 75 Hg 0.05196149358599 0.09849833305984 0.94839100047961 200.590 > 11 76 Hg 0.05196149358599 0.59849833305984 0.94839100047961 200.590 > 11 77 Hg 0.44803850641401 0.34849833305984 0.30160899952039 200.590 > 12 78 Hg 0.44803850641401 0.84849833305984 0.30160899952039 200.590 > 12 79 Hg 0.44803850641401 0.34849833305984 0.80160899952039 200.590 > 12 80 Hg 0.44803850641401 0.84849833305984 0.80160899952039 200.590 > 12 *81 Hg 0.00000000000000 0.20305403993539 0.12500000000000 200.590 > 13 82 Hg 0.00000000000000 0.70305403993539 0.12500000000000 200.590 > 13 83 Hg 0.00000000000000 0.20305403993539 0.62500000000000 200.590 > 13 84 Hg 0.00000000000000 0.70305403993539 0.62500000000000 200.590 > 13 85 Hg 0.00000000000000 0.29694596006461 0.37500000000000 200.590 > 14 86 Hg 0.00000000000000 0.79694596006461 0.37500000000000 200.590 > 14 87 Hg 0.00000000000000 0.29694596006461 0.87500000000000 200.590 > 14 88 Hg 0.00000000000000 0.79694596006461 0.87500000000000 200.590 > 14 *89 Hg 0.25000000000000 0.37500000000000 0.00000000000000 200.590 > 15 90 Hg 0.25000000000000 0.87500000000000 0.00000000000000 200.590 > 15 91 Hg 0.25000000000000 0.37500000000000 0.50000000000000 200.590 > 15 92 Hg 0.25000000000000 0.87500000000000 0.50000000000000 200.590 > 15 93 Hg 0.25000000000000 0.12500000000000 0.25000000000000 200.590 > 16 94 Hg 0.25000000000000 0.62500000000000 0.25000000000000 200.590 > 16 95 Hg 0.25000000000000 0.12500000000000 0.75000000000000 200.590 > 16 96 Hg 0.25000000000000 0.62500000000000 0.75000000000000 200.590 > 16 97 Hg 0.94803850641401 0.40150166694016 0.05160899952039 200.590 > 9 98 Hg 0.94803850641401 0.90150166694016 0.05160899952039 200.590 > 9 99 Hg 0.94803850641401 0.40150166694016 0.55160899952039 200.590 > 9 100 Hg 0.94803850641401 0.90150166694016 0.55160899952039 200.590 > 9 101 Hg 0.55196149358599 0.15150166694016 0.19839100047961 200.590 > 10 102 Hg 0.55196149358599 0.65150166694016 0.19839100047961 200.590 > 10 103 Hg 0.55196149358599 0.15150166694016 0.69839100047961 200.590 > 10 104 Hg 0.55196149358599 0.65150166694016 0.69839100047961 200.590 > 10 105 Hg 0.55196149358599 0.34849833305984 0.44839100047961 200.590 > 11 106 Hg 0.55196149358599 0.84849833305984 0.44839100047961 200.590 > 11 107 Hg 0.55196149358599 0.34849833305984 0.94839100047961 200.590 > 11 108 Hg 0.55196149358599 0.84849833305984 0.94839100047961 200.590 > 11 109 Hg 0.94803850641401 0.09849833305984 0.30160899952039 200.590 > 12 110 Hg 0.94803850641401 0.59849833305984 0.30160899952039 200.590 > 12 111 Hg 0.94803850641401 0.09849833305984 0.80160899952039 200.590 > 12 112 Hg 0.94803850641401 0.59849833305984 0.80160899952039 200.590 > 12 113 Hg 0.50000000000000 0.45305403993539 0.12500000000000 200.590 > 13 114 Hg 0.50000000000000 0.95305403993539 0.12500000000000 200.590 > 13 115 Hg 0.50000000000000 0.45305403993539 0.62500000000000 200.590 > 13 116 Hg 0.50000000000000 0.95305403993539 0.62500000000000 200.590 > 13 117 Hg 0.50000000000000 0.04694596006461 0.37500000000000 200.590 > 14 118 Hg 0.50000000000000 0.54694596006461 0.37500000000000 200.590 > 14 119 Hg 0.50000000000000 0.04694596006461 0.87500000000000 200.590 > 14 120 Hg 0.50000000000000 0.54694596006461 0.87500000000000 200.590 > 14 121 Hg 0.75000000000000 0.12500000000000 0.00000000000000 200.590 > 15 122 Hg 0.75000000000000 0.62500000000000 0.00000000000000 200.590 > 15 123 Hg 0.75000000000000 0.12500000000000 0.50000000000000 200.590 > 15 124 Hg 0.75000000000000 0.62500000000000 0.50000000000000 200.590 > 15 125 Hg 0.75000000000000 0.37500000000000 0.25000000000000 200.590 > 16 126 Hg 0.75000000000000 0.87500000000000 0.25000000000000 200.590 > 16 127 Hg 0.75000000000000 0.37500000000000 0.75000000000000 200.590 > 16 128 Hg 0.75000000000000 0.87500000000000 0.75000000000000 200.590 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2402200 0.0000000 0.2812477 0.0000000 7.4331608 0.0000000 0.2812485 0.0000000 7.3595545 -------------------------- Born effective charges -------------------------- 1 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 2 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 3 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 4 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 5 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 6 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 7 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 8 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 9 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 10 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 11 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 12 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 13 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 14 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 15 Hg 2.9219622 -0.2685436 0.5501441 -0.3513034 1.3549857 -0.2959247 0.7387186 -0.2565058 1.5482392 16 Hg 2.9219622 0.2685436 0.5501441 0.3513034 1.3549857 0.2959247 0.7387186 0.2565058 1.5482392 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.968 Solver_block: 200 / 480 - Time: 1.287 Solver_block: 300 / 480 - Time: 0.982 Solver_block: 400 / 480 - Time: 1.034 Solver_block: 480 / 480 - Time: 0.836 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.410 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 11136/11136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), 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 2026-01-08 05:25:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:25:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.985837175509150 -2.990676165000000 0.000000000000000 b 5.985837175509150 2.990676165000000 0.000000000000000 c -2.504028342068688 0.000000000000000 9.159389849364507 Atomic positions (fractional): 1 O 0.25061941588336 0.90488480469247 0.93946069880058 15.999 2 O 0.09511519530753 0.74938058411664 0.56053930119942 15.999 3 O 0.74938058411664 0.09511519530753 0.06053930119942 15.999 4 O 0.90488480469247 0.25061941588336 0.43946069880058 15.999 5 Cl 0.49499222951059 0.89311902423583 0.64398692511037 35.453 6 Cl 0.10688097576417 0.50500777048941 0.85601307488963 35.453 7 Cl 0.50500777048941 0.10688097576417 0.35601307488963 35.453 8 Cl 0.89311902423583 0.49499222951059 0.14398692511037 35.453 9 Hg 0.14503517253370 0.75104184029433 0.10321799904079 200.590 10 Hg 0.24895815970567 0.85496482746630 0.39678200095921 200.590 11 Hg 0.85496482746630 0.24895815970567 0.89678200095921 200.590 12 Hg 0.75104184029433 0.14503517253370 0.60321799904079 200.590 13 Hg 0.59389192012921 0.40610807987079 0.25000000000000 200.590 14 Hg 0.40610807987079 0.59389192012921 0.75000000000000 200.590 15 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 16 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.971674351018301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.962704660000000 0.000000000000000 c -5.008056684137376 0.000000000000000 18.318779698729013 Atomic positions (fractional): 1 O 0.07775211028791 0.41356634720228 0.46973034940029 15.999 > 1 2 O 0.07775211028791 0.91356634720228 0.46973034940029 15.999 > 1 3 O 0.07775211028791 0.41356634720228 0.96973034940029 15.999 > 1 4 O 0.07775211028791 0.91356634720228 0.96973034940029 15.999 > 1 5 O 0.42224788971208 0.16356634720228 0.28026965059971 15.999 > 5 6 O 0.42224788971208 0.66356634720228 0.28026965059971 15.999 > 5 7 O 0.42224788971208 0.16356634720228 0.78026965059971 15.999 > 5 8 O 0.42224788971208 0.66356634720228 0.78026965059971 15.999 > 5 9 O 0.42224788971208 0.33643365279772 0.03026965059971 15.999 > 9 10 O 0.42224788971208 0.83643365279772 0.03026965059971 15.999 > 9 11 O 0.42224788971208 0.33643365279772 0.53026965059971 15.999 > 9 12 O 0.42224788971208 0.83643365279772 0.53026965059971 15.999 > 9 13 O 0.07775211028791 0.08643365279772 0.21973034940029 15.999 > 13 14 O 0.07775211028791 0.58643365279772 0.21973034940029 15.999 > 13 15 O 0.07775211028791 0.08643365279772 0.71973034940029 15.999 > 13 16 O 0.07775211028791 0.58643365279772 0.71973034940029 15.999 > 13 17 O 0.57775211028791 0.16356634720228 0.46973034940029 15.999 > 1 18 O 0.57775211028791 0.66356634720228 0.46973034940029 15.999 > 1 19 O 0.57775211028791 0.16356634720228 0.96973034940029 15.999 > 1 20 O 0.57775211028791 0.66356634720228 0.96973034940029 15.999 > 1 21 O 0.92224788971209 0.41356634720228 0.28026965059971 15.999 > 5 22 O 0.92224788971209 0.91356634720228 0.28026965059971 15.999 > 5 23 O 0.92224788971209 0.41356634720228 0.78026965059971 15.999 > 5 24 O 0.92224788971209 0.91356634720228 0.78026965059971 15.999 > 5 25 O 0.92224788971209 0.08643365279772 0.03026965059971 15.999 > 9 26 O 0.92224788971209 0.58643365279772 0.03026965059971 15.999 > 9 27 O 0.92224788971209 0.08643365279772 0.53026965059971 15.999 > 9 28 O 0.92224788971209 0.58643365279772 0.53026965059971 15.999 > 9 29 O 0.57775211028791 0.33643365279772 0.21973034940029 15.999 > 13 30 O 0.57775211028791 0.83643365279772 0.21973034940029 15.999 > 13 31 O 0.57775211028791 0.33643365279772 0.71973034940029 15.999 > 13 32 O 0.57775211028791 0.83643365279772 0.71973034940029 15.999 > 13 33 Cl 0.19405562687321 0.34953169868131 0.32199346255519 35.453 > 33 34 Cl 0.19405562687321 0.84953169868131 0.32199346255519 35.453 > 33 35 Cl 0.19405562687321 0.34953169868131 0.82199346255519 35.453 > 33 36 Cl 0.19405562687321 0.84953169868131 0.82199346255519 35.453 > 33 37 Cl 0.30594437312679 0.09953169868131 0.42800653744481 35.453 > 37 38 Cl 0.30594437312679 0.59953169868131 0.42800653744481 35.453 > 37 39 Cl 0.30594437312679 0.09953169868131 0.92800653744481 35.453 > 37 40 Cl 0.30594437312679 0.59953169868131 0.92800653744481 35.453 > 37 41 Cl 0.30594437312679 0.40046830131869 0.17800653744481 35.453 > 41 42 Cl 0.30594437312679 0.90046830131869 0.17800653744481 35.453 > 41 43 Cl 0.30594437312679 0.40046830131869 0.67800653744481 35.453 > 41 44 Cl 0.30594437312679 0.90046830131869 0.67800653744481 35.453 > 41 45 Cl 0.19405562687321 0.15046830131869 0.07199346255519 35.453 > 45 46 Cl 0.19405562687321 0.65046830131869 0.07199346255519 35.453 > 45 47 Cl 0.19405562687321 0.15046830131869 0.57199346255519 35.453 > 45 48 Cl 0.19405562687321 0.65046830131869 0.57199346255519 35.453 > 45 49 Cl 0.69405562687321 0.09953169868131 0.32199346255519 35.453 > 33 50 Cl 0.69405562687321 0.59953169868131 0.32199346255519 35.453 > 33 51 Cl 0.69405562687321 0.09953169868131 0.82199346255519 35.453 > 33 52 Cl 0.69405562687321 0.59953169868131 0.82199346255519 35.453 > 33 53 Cl 0.80594437312679 0.34953169868131 0.42800653744481 35.453 > 37 54 Cl 0.80594437312679 0.84953169868131 0.42800653744481 35.453 > 37 55 Cl 0.80594437312679 0.34953169868131 0.92800653744481 35.453 > 37 56 Cl 0.80594437312679 0.84953169868131 0.92800653744481 35.453 > 37 57 Cl 0.80594437312679 0.15046830131869 0.17800653744481 35.453 > 41 58 Cl 0.80594437312679 0.65046830131869 0.17800653744481 35.453 > 41 59 Cl 0.80594437312679 0.15046830131869 0.67800653744481 35.453 > 41 60 Cl 0.80594437312679 0.65046830131869 0.67800653744481 35.453 > 41 61 Cl 0.69405562687321 0.40046830131869 0.07199346255519 35.453 > 45 62 Cl 0.69405562687321 0.90046830131869 0.07199346255519 35.453 > 45 63 Cl 0.69405562687321 0.40046830131869 0.57199346255519 35.453 > 45 64 Cl 0.69405562687321 0.90046830131869 0.57199346255519 35.453 > 45 65 Hg 0.44803850641401 0.15150166694016 0.05160899952039 200.590 > 65 66 Hg 0.44803850641401 0.65150166694016 0.05160899952039 200.590 > 65 67 Hg 0.44803850641401 0.15150166694016 0.55160899952039 200.590 > 65 68 Hg 0.44803850641401 0.65150166694016 0.55160899952039 200.590 > 65 69 Hg 0.05196149358599 0.40150166694016 0.19839100047961 200.590 > 69 70 Hg 0.05196149358599 0.90150166694016 0.19839100047961 200.590 > 69 71 Hg 0.05196149358599 0.40150166694016 0.69839100047961 200.590 > 69 72 Hg 0.05196149358599 0.90150166694016 0.69839100047961 200.590 > 69 73 Hg 0.05196149358599 0.09849833305984 0.44839100047961 200.590 > 73 74 Hg 0.05196149358599 0.59849833305984 0.44839100047961 200.590 > 73 75 Hg 0.05196149358599 0.09849833305984 0.94839100047961 200.590 > 73 76 Hg 0.05196149358599 0.59849833305984 0.94839100047961 200.590 > 73 77 Hg 0.44803850641401 0.34849833305984 0.30160899952039 200.590 > 77 78 Hg 0.44803850641401 0.84849833305984 0.30160899952039 200.590 > 77 79 Hg 0.44803850641401 0.34849833305984 0.80160899952039 200.590 > 77 80 Hg 0.44803850641401 0.84849833305984 0.80160899952039 200.590 > 77 81 Hg 0.00000000000000 0.20305403993539 0.12500000000000 200.590 > 81 82 Hg 0.00000000000000 0.70305403993539 0.12500000000000 200.590 > 81 83 Hg 0.00000000000000 0.20305403993539 0.62500000000000 200.590 > 81 84 Hg 0.00000000000000 0.70305403993539 0.62500000000000 200.590 > 81 85 Hg 0.00000000000000 0.29694596006461 0.37500000000000 200.590 > 85 86 Hg 0.00000000000000 0.79694596006461 0.37500000000000 200.590 > 85 87 Hg 0.00000000000000 0.29694596006461 0.87500000000000 200.590 > 85 88 Hg 0.00000000000000 0.79694596006461 0.87500000000000 200.590 > 85 89 Hg 0.25000000000000 0.37500000000000 0.00000000000000 200.590 > 89 90 Hg 0.25000000000000 0.87500000000000 0.00000000000000 200.590 > 89 91 Hg 0.25000000000000 0.37500000000000 0.50000000000000 200.590 > 89 92 Hg 0.25000000000000 0.87500000000000 0.50000000000000 200.590 > 89 93 Hg 0.25000000000000 0.12500000000000 0.25000000000000 200.590 > 93 94 Hg 0.25000000000000 0.62500000000000 0.25000000000000 200.590 > 93 95 Hg 0.25000000000000 0.12500000000000 0.75000000000000 200.590 > 93 96 Hg 0.25000000000000 0.62500000000000 0.75000000000000 200.590 > 93 97 Hg 0.94803850641401 0.40150166694016 0.05160899952039 200.590 > 65 98 Hg 0.94803850641401 0.90150166694016 0.05160899952039 200.590 > 65 99 Hg 0.94803850641401 0.40150166694016 0.55160899952039 200.590 > 65 100 Hg 0.94803850641401 0.90150166694016 0.55160899952039 200.590 > 65 101 Hg 0.55196149358599 0.15150166694016 0.19839100047961 200.590 > 69 102 Hg 0.55196149358599 0.65150166694016 0.19839100047961 200.590 > 69 103 Hg 0.55196149358599 0.15150166694016 0.69839100047961 200.590 > 69 104 Hg 0.55196149358599 0.65150166694016 0.69839100047961 200.590 > 69 105 Hg 0.55196149358599 0.34849833305984 0.44839100047961 200.590 > 73 106 Hg 0.55196149358599 0.84849833305984 0.44839100047961 200.590 > 73 107 Hg 0.55196149358599 0.34849833305984 0.94839100047961 200.590 > 73 108 Hg 0.55196149358599 0.84849833305984 0.94839100047961 200.590 > 73 109 Hg 0.94803850641401 0.09849833305984 0.30160899952039 200.590 > 77 110 Hg 0.94803850641401 0.59849833305984 0.30160899952039 200.590 > 77 111 Hg 0.94803850641401 0.09849833305984 0.80160899952039 200.590 > 77 112 Hg 0.94803850641401 0.59849833305984 0.80160899952039 200.590 > 77 113 Hg 0.50000000000000 0.45305403993539 0.12500000000000 200.590 > 81 114 Hg 0.50000000000000 0.95305403993539 0.12500000000000 200.590 > 81 115 Hg 0.50000000000000 0.45305403993539 0.62500000000000 200.590 > 81 116 Hg 0.50000000000000 0.95305403993539 0.62500000000000 200.590 > 81 117 Hg 0.50000000000000 0.04694596006461 0.37500000000000 200.590 > 85 118 Hg 0.50000000000000 0.54694596006461 0.37500000000000 200.590 > 85 119 Hg 0.50000000000000 0.04694596006461 0.87500000000000 200.590 > 85 120 Hg 0.50000000000000 0.54694596006461 0.87500000000000 200.590 > 85 121 Hg 0.75000000000000 0.12500000000000 0.00000000000000 200.590 > 89 122 Hg 0.75000000000000 0.62500000000000 0.00000000000000 200.590 > 89 123 Hg 0.75000000000000 0.12500000000000 0.50000000000000 200.590 > 89 124 Hg 0.75000000000000 0.62500000000000 0.50000000000000 200.590 > 89 125 Hg 0.75000000000000 0.37500000000000 0.25000000000000 200.590 > 93 126 Hg 0.75000000000000 0.87500000000000 0.25000000000000 200.590 > 93 127 Hg 0.75000000000000 0.37500000000000 0.75000000000000 200.590 > 93 128 Hg 0.75000000000000 0.87500000000000 0.75000000000000 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2402200 0.0000000 0.2812477 0.0000000 7.4331608 0.0000000 0.2812485 0.0000000 7.3595545 -------------------------- Born effective charges -------------------------- 1 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 2 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 3 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 4 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 5 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 6 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 7 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 8 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 9 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 10 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 11 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 12 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 13 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 14 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 15 Hg 2.9219622 -0.2685436 0.5501441 -0.3513034 1.3549857 -0.2959247 0.7387186 -0.2565058 1.5482392 16 Hg 2.9219622 0.2685436 0.5501441 0.3513034 1.3549857 0.2959247 0.7387186 0.2565058 1.5482392 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 89, 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:25:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:25:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.985837175509150 -2.990676165000000 0.000000000000000 b 5.985837175509150 2.990676165000000 0.000000000000000 c -2.504028342068688 0.000000000000000 9.159389849364507 Atomic positions (fractional): 1 O 0.25061941588336 0.90488480469247 0.93946069880058 15.999 2 O 0.09511519530753 0.74938058411664 0.56053930119942 15.999 3 O 0.74938058411664 0.09511519530753 0.06053930119942 15.999 4 O 0.90488480469247 0.25061941588336 0.43946069880058 15.999 5 Cl 0.49499222951059 0.89311902423583 0.64398692511037 35.453 6 Cl 0.10688097576417 0.50500777048941 0.85601307488963 35.453 7 Cl 0.50500777048941 0.10688097576417 0.35601307488963 35.453 8 Cl 0.89311902423583 0.49499222951059 0.14398692511037 35.453 9 Hg 0.14503517253370 0.75104184029433 0.10321799904079 200.590 10 Hg 0.24895815970567 0.85496482746630 0.39678200095921 200.590 11 Hg 0.85496482746630 0.24895815970567 0.89678200095921 200.590 12 Hg 0.75104184029433 0.14503517253370 0.60321799904079 200.590 13 Hg 0.59389192012921 0.40610807987079 0.25000000000000 200.590 14 Hg 0.40610807987079 0.59389192012921 0.75000000000000 200.590 15 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 16 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.971674351018301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.962704660000000 0.000000000000000 c -5.008056684137376 0.000000000000000 18.318779698729013 Atomic positions (fractional): 1 O 0.07775211028791 0.41356634720228 0.46973034940029 15.999 > 1 2 O 0.07775211028791 0.91356634720228 0.46973034940029 15.999 > 1 3 O 0.07775211028791 0.41356634720228 0.96973034940029 15.999 > 1 4 O 0.07775211028791 0.91356634720228 0.96973034940029 15.999 > 1 5 O 0.42224788971208 0.16356634720228 0.28026965059971 15.999 > 5 6 O 0.42224788971208 0.66356634720228 0.28026965059971 15.999 > 5 7 O 0.42224788971208 0.16356634720228 0.78026965059971 15.999 > 5 8 O 0.42224788971208 0.66356634720228 0.78026965059971 15.999 > 5 9 O 0.42224788971208 0.33643365279772 0.03026965059971 15.999 > 9 10 O 0.42224788971208 0.83643365279772 0.03026965059971 15.999 > 9 11 O 0.42224788971208 0.33643365279772 0.53026965059971 15.999 > 9 12 O 0.42224788971208 0.83643365279772 0.53026965059971 15.999 > 9 13 O 0.07775211028791 0.08643365279772 0.21973034940029 15.999 > 13 14 O 0.07775211028791 0.58643365279772 0.21973034940029 15.999 > 13 15 O 0.07775211028791 0.08643365279772 0.71973034940029 15.999 > 13 16 O 0.07775211028791 0.58643365279772 0.71973034940029 15.999 > 13 17 O 0.57775211028791 0.16356634720228 0.46973034940029 15.999 > 1 18 O 0.57775211028791 0.66356634720228 0.46973034940029 15.999 > 1 19 O 0.57775211028791 0.16356634720228 0.96973034940029 15.999 > 1 20 O 0.57775211028791 0.66356634720228 0.96973034940029 15.999 > 1 21 O 0.92224788971209 0.41356634720228 0.28026965059971 15.999 > 5 22 O 0.92224788971209 0.91356634720228 0.28026965059971 15.999 > 5 23 O 0.92224788971209 0.41356634720228 0.78026965059971 15.999 > 5 24 O 0.92224788971209 0.91356634720228 0.78026965059971 15.999 > 5 25 O 0.92224788971209 0.08643365279772 0.03026965059971 15.999 > 9 26 O 0.92224788971209 0.58643365279772 0.03026965059971 15.999 > 9 27 O 0.92224788971209 0.08643365279772 0.53026965059971 15.999 > 9 28 O 0.92224788971209 0.58643365279772 0.53026965059971 15.999 > 9 29 O 0.57775211028791 0.33643365279772 0.21973034940029 15.999 > 13 30 O 0.57775211028791 0.83643365279772 0.21973034940029 15.999 > 13 31 O 0.57775211028791 0.33643365279772 0.71973034940029 15.999 > 13 32 O 0.57775211028791 0.83643365279772 0.71973034940029 15.999 > 13 33 Cl 0.19405562687321 0.34953169868131 0.32199346255519 35.453 > 33 34 Cl 0.19405562687321 0.84953169868131 0.32199346255519 35.453 > 33 35 Cl 0.19405562687321 0.34953169868131 0.82199346255519 35.453 > 33 36 Cl 0.19405562687321 0.84953169868131 0.82199346255519 35.453 > 33 37 Cl 0.30594437312679 0.09953169868131 0.42800653744481 35.453 > 37 38 Cl 0.30594437312679 0.59953169868131 0.42800653744481 35.453 > 37 39 Cl 0.30594437312679 0.09953169868131 0.92800653744481 35.453 > 37 40 Cl 0.30594437312679 0.59953169868131 0.92800653744481 35.453 > 37 41 Cl 0.30594437312679 0.40046830131869 0.17800653744481 35.453 > 41 42 Cl 0.30594437312679 0.90046830131869 0.17800653744481 35.453 > 41 43 Cl 0.30594437312679 0.40046830131869 0.67800653744481 35.453 > 41 44 Cl 0.30594437312679 0.90046830131869 0.67800653744481 35.453 > 41 45 Cl 0.19405562687321 0.15046830131869 0.07199346255519 35.453 > 45 46 Cl 0.19405562687321 0.65046830131869 0.07199346255519 35.453 > 45 47 Cl 0.19405562687321 0.15046830131869 0.57199346255519 35.453 > 45 48 Cl 0.19405562687321 0.65046830131869 0.57199346255519 35.453 > 45 49 Cl 0.69405562687321 0.09953169868131 0.32199346255519 35.453 > 33 50 Cl 0.69405562687321 0.59953169868131 0.32199346255519 35.453 > 33 51 Cl 0.69405562687321 0.09953169868131 0.82199346255519 35.453 > 33 52 Cl 0.69405562687321 0.59953169868131 0.82199346255519 35.453 > 33 53 Cl 0.80594437312679 0.34953169868131 0.42800653744481 35.453 > 37 54 Cl 0.80594437312679 0.84953169868131 0.42800653744481 35.453 > 37 55 Cl 0.80594437312679 0.34953169868131 0.92800653744481 35.453 > 37 56 Cl 0.80594437312679 0.84953169868131 0.92800653744481 35.453 > 37 57 Cl 0.80594437312679 0.15046830131869 0.17800653744481 35.453 > 41 58 Cl 0.80594437312679 0.65046830131869 0.17800653744481 35.453 > 41 59 Cl 0.80594437312679 0.15046830131869 0.67800653744481 35.453 > 41 60 Cl 0.80594437312679 0.65046830131869 0.67800653744481 35.453 > 41 61 Cl 0.69405562687321 0.40046830131869 0.07199346255519 35.453 > 45 62 Cl 0.69405562687321 0.90046830131869 0.07199346255519 35.453 > 45 63 Cl 0.69405562687321 0.40046830131869 0.57199346255519 35.453 > 45 64 Cl 0.69405562687321 0.90046830131869 0.57199346255519 35.453 > 45 65 Hg 0.44803850641401 0.15150166694016 0.05160899952039 200.590 > 65 66 Hg 0.44803850641401 0.65150166694016 0.05160899952039 200.590 > 65 67 Hg 0.44803850641401 0.15150166694016 0.55160899952039 200.590 > 65 68 Hg 0.44803850641401 0.65150166694016 0.55160899952039 200.590 > 65 69 Hg 0.05196149358599 0.40150166694016 0.19839100047961 200.590 > 69 70 Hg 0.05196149358599 0.90150166694016 0.19839100047961 200.590 > 69 71 Hg 0.05196149358599 0.40150166694016 0.69839100047961 200.590 > 69 72 Hg 0.05196149358599 0.90150166694016 0.69839100047961 200.590 > 69 73 Hg 0.05196149358599 0.09849833305984 0.44839100047961 200.590 > 73 74 Hg 0.05196149358599 0.59849833305984 0.44839100047961 200.590 > 73 75 Hg 0.05196149358599 0.09849833305984 0.94839100047961 200.590 > 73 76 Hg 0.05196149358599 0.59849833305984 0.94839100047961 200.590 > 73 77 Hg 0.44803850641401 0.34849833305984 0.30160899952039 200.590 > 77 78 Hg 0.44803850641401 0.84849833305984 0.30160899952039 200.590 > 77 79 Hg 0.44803850641401 0.34849833305984 0.80160899952039 200.590 > 77 80 Hg 0.44803850641401 0.84849833305984 0.80160899952039 200.590 > 77 81 Hg 0.00000000000000 0.20305403993539 0.12500000000000 200.590 > 81 82 Hg 0.00000000000000 0.70305403993539 0.12500000000000 200.590 > 81 83 Hg 0.00000000000000 0.20305403993539 0.62500000000000 200.590 > 81 84 Hg 0.00000000000000 0.70305403993539 0.62500000000000 200.590 > 81 85 Hg 0.00000000000000 0.29694596006461 0.37500000000000 200.590 > 85 86 Hg 0.00000000000000 0.79694596006461 0.37500000000000 200.590 > 85 87 Hg 0.00000000000000 0.29694596006461 0.87500000000000 200.590 > 85 88 Hg 0.00000000000000 0.79694596006461 0.87500000000000 200.590 > 85 89 Hg 0.25000000000000 0.37500000000000 0.00000000000000 200.590 > 89 90 Hg 0.25000000000000 0.87500000000000 0.00000000000000 200.590 > 89 91 Hg 0.25000000000000 0.37500000000000 0.50000000000000 200.590 > 89 92 Hg 0.25000000000000 0.87500000000000 0.50000000000000 200.590 > 89 93 Hg 0.25000000000000 0.12500000000000 0.25000000000000 200.590 > 93 94 Hg 0.25000000000000 0.62500000000000 0.25000000000000 200.590 > 93 95 Hg 0.25000000000000 0.12500000000000 0.75000000000000 200.590 > 93 96 Hg 0.25000000000000 0.62500000000000 0.75000000000000 200.590 > 93 97 Hg 0.94803850641401 0.40150166694016 0.05160899952039 200.590 > 65 98 Hg 0.94803850641401 0.90150166694016 0.05160899952039 200.590 > 65 99 Hg 0.94803850641401 0.40150166694016 0.55160899952039 200.590 > 65 100 Hg 0.94803850641401 0.90150166694016 0.55160899952039 200.590 > 65 101 Hg 0.55196149358599 0.15150166694016 0.19839100047961 200.590 > 69 102 Hg 0.55196149358599 0.65150166694016 0.19839100047961 200.590 > 69 103 Hg 0.55196149358599 0.15150166694016 0.69839100047961 200.590 > 69 104 Hg 0.55196149358599 0.65150166694016 0.69839100047961 200.590 > 69 105 Hg 0.55196149358599 0.34849833305984 0.44839100047961 200.590 > 73 106 Hg 0.55196149358599 0.84849833305984 0.44839100047961 200.590 > 73 107 Hg 0.55196149358599 0.34849833305984 0.94839100047961 200.590 > 73 108 Hg 0.55196149358599 0.84849833305984 0.94839100047961 200.590 > 73 109 Hg 0.94803850641401 0.09849833305984 0.30160899952039 200.590 > 77 110 Hg 0.94803850641401 0.59849833305984 0.30160899952039 200.590 > 77 111 Hg 0.94803850641401 0.09849833305984 0.80160899952039 200.590 > 77 112 Hg 0.94803850641401 0.59849833305984 0.80160899952039 200.590 > 77 113 Hg 0.50000000000000 0.45305403993539 0.12500000000000 200.590 > 81 114 Hg 0.50000000000000 0.95305403993539 0.12500000000000 200.590 > 81 115 Hg 0.50000000000000 0.45305403993539 0.62500000000000 200.590 > 81 116 Hg 0.50000000000000 0.95305403993539 0.62500000000000 200.590 > 81 117 Hg 0.50000000000000 0.04694596006461 0.37500000000000 200.590 > 85 118 Hg 0.50000000000000 0.54694596006461 0.37500000000000 200.590 > 85 119 Hg 0.50000000000000 0.04694596006461 0.87500000000000 200.590 > 85 120 Hg 0.50000000000000 0.54694596006461 0.87500000000000 200.590 > 85 121 Hg 0.75000000000000 0.12500000000000 0.00000000000000 200.590 > 89 122 Hg 0.75000000000000 0.62500000000000 0.00000000000000 200.590 > 89 123 Hg 0.75000000000000 0.12500000000000 0.50000000000000 200.590 > 89 124 Hg 0.75000000000000 0.62500000000000 0.50000000000000 200.590 > 89 125 Hg 0.75000000000000 0.37500000000000 0.25000000000000 200.590 > 93 126 Hg 0.75000000000000 0.87500000000000 0.25000000000000 200.590 > 93 127 Hg 0.75000000000000 0.37500000000000 0.75000000000000 200.590 > 93 128 Hg 0.75000000000000 0.87500000000000 0.75000000000000 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2402200 0.0000000 0.2812477 0.0000000 7.4331608 0.0000000 0.2812485 0.0000000 7.3595545 -------------------------- Born effective charges -------------------------- 1 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 2 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 3 O -2.3818465 0.2261731 -0.2192696 0.2596933 -2.9065952 -0.1182828 -0.0130541 -0.3181133 -2.0528373 4 O -2.3818465 -0.2261731 -0.2192696 -0.2596933 -2.9065952 0.1182828 -0.0130541 0.3181133 -2.0528373 5 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 6 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 7 Cl -1.9859847 0.0238155 -0.0345336 -0.1718723 -1.2524418 0.3075976 -0.1808888 0.1482690 -2.1457368 8 Cl -1.9859847 -0.0238155 -0.0345336 0.1718723 -1.2524418 -0.3075976 -0.1808888 -0.1482690 -2.1457368 9 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 10 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 11 Hg 1.9130881 -0.1593010 -0.0442184 -0.0944931 2.2041407 -0.2929474 0.0276143 -0.3488977 2.3734050 12 Hg 1.9130881 0.1593010 -0.0442184 0.0944931 2.2041407 0.2929474 0.0276143 0.3488977 2.3734050 13 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 14 Hg 1.9875242 0.0000000 0.0458991 0.0000000 2.5548068 0.0000000 -0.4060615 0.0000000 2.1020989 15 Hg 2.9219622 -0.2685436 0.5501441 -0.3513034 1.3549857 -0.2959247 0.7387186 -0.2565058 1.5482392 16 Hg 2.9219622 0.2685436 0.5501441 0.3513034 1.3549857 0.2959247 0.7387186 0.2565058 1.5482392 ---------------------------------------------------------------------------- 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 ... [ 9 9 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: 0.60, Number of G-points: 291, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 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 0.869 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 16.295 ( 0.000 0.000 0.000) 0.000 16.419 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 14.772 -6.714 -0.151) 16.227 0.300 ( 2.167 -15.374 -2.755) 15.768 0.633 ( 8.120 -26.860 7.216) 28.974 0.897 ( 2.311 -2.374 -0.454) 3.344 1.120 ( -0.775 0.051 0.226) 0.809 1.200 ( -4.769 4.608 -4.437) 7.978 1.222 ( 0.344 1.321 1.837) 2.289 1.297 ( 2.545 2.270 1.883) 3.895 1.544 ( -0.699 -0.909 0.243) 1.172 1.578 ( -1.830 -1.116 -5.846) 6.227 1.653 ( 0.781 -0.520 4.309) 4.410 1.687 ( 3.982 -1.205 1.919) 4.582 1.841 ( -0.059 -0.850 -0.438) 0.958 2.080 ( -2.199 -3.077 -1.450) 4.050 2.146 ( -3.461 0.685 -0.386) 3.549 2.244 ( 3.175 1.548 0.877) 3.639 2.536 ( -4.724 -5.317 -0.799) 7.157 2.632 ( -0.678 5.080 0.418) 5.142 2.786 ( -3.788 2.324 -4.021) 5.993 2.866 ( 1.488 4.521 -4.498) 6.549 2.909 ( 2.508 3.910 4.456) 6.437 3.014 ( -17.617 -6.797 0.547) 18.891 3.121 ( -0.067 4.027 0.033) 4.028 3.162 ( -0.848 -2.036 -0.129) 2.209 3.408 ( 1.015 -7.730 2.453) 8.173 3.605 ( 12.414 3.237 -8.918) 15.624 3.698 ( 10.703 4.458 -15.594) 19.432 3.958 ( -3.173 -6.447 -5.650) 9.141 4.556 ( 1.072 1.836 0.542) 2.194 4.627 ( -1.250 4.745 -1.742) 5.207 4.872 ( 1.915 -1.094 1.225) 2.523 4.968 ( 3.111 -0.508 -0.376) 3.174 5.389 ( 14.258 8.431 27.094) 31.756 5.624 ( -0.019 -1.178 1.453) 1.871 5.970 ( 0.079 1.680 -1.044) 1.979 6.055 ( -1.995 2.510 -0.033) 3.206 8.038 ( 3.292 -0.967 0.291) 3.443 8.348 ( -3.073 -1.385 -1.652) 3.754 9.007 ( 2.157 -1.301 1.422) 2.893 9.845 ( -3.424 7.233 0.186) 8.004 10.669 ( 1.242 -1.918 1.134) 2.551 11.044 ( -7.521 -9.922 -4.964) 13.404 11.384 ( 7.299 -6.766 5.712) 11.475 12.725 ( -47.349 -23.697 -15.009) 55.035 15.384 ( -0.018 0.536 0.792) 0.957 15.495 ( -1.242 0.812 0.362) 1.527 16.371 ( 5.570 3.377 1.176) 6.619 16.663 ( 25.741 11.301 3.141) 28.288 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 12.921 -6.524 0.224) 14.476 0.592 ( 2.064 -14.339 -2.281) 14.665 0.924 ( 2.164 -2.779 -1.571) 3.857 1.051 ( -2.972 3.660 -3.729) 6.012 1.115 ( -0.946 0.007 0.106) 0.952 1.199 ( 0.732 -0.347 2.561) 2.686 1.219 ( 6.380 -16.504 7.006) 19.030 1.287 ( 3.156 1.374 1.081) 3.608 1.517 ( -3.596 0.817 -1.950) 4.171 1.586 ( -1.313 -2.444 -2.768) 3.919 1.686 ( 0.593 -1.533 -0.082) 1.646 1.734 ( 2.996 1.071 1.539) 3.535 1.854 ( 0.590 -0.303 2.581) 2.665 2.108 ( -4.048 -1.039 1.516) 4.445 2.122 ( -1.575 -2.159 -2.793) 3.866 2.255 ( 0.826 -1.613 0.101) 1.816 2.491 ( -2.641 6.304 -2.497) 7.277 2.586 ( 1.672 0.697 0.506) 1.881 2.707 ( -1.410 3.047 -5.987) 6.864 2.784 ( 4.333 3.607 0.652) 5.676 2.858 ( 2.529 4.600 3.347) 6.226 2.950 ( -11.630 -0.919 1.834) 11.810 3.060 ( 0.273 2.717 -0.305) 2.747 3.198 ( -3.668 -4.021 -5.826) 7.972 3.571 ( 4.226 -4.642 4.640) 7.806 3.636 ( 1.510 0.209 0.926) 1.784 3.680 ( 8.751 1.142 -10.231) 13.511 4.049 ( -7.585 -9.130 -3.245) 12.305 4.495 ( -1.261 7.008 -2.049) 7.410 4.518 ( 1.449 3.730 0.651) 4.055 4.925 ( 2.710 -1.652 1.777) 3.637 5.013 ( 4.458 -0.388 -1.030) 4.592 5.448 ( 6.151 1.164 14.037) 15.370 5.659 ( -0.285 -2.123 2.243) 3.102 5.924 ( 0.182 2.908 -1.910) 3.484 5.970 ( -2.318 3.830 -1.979) 4.894 8.100 ( 5.354 -0.982 0.520) 5.468 8.329 ( -5.748 -1.444 -2.458) 6.416 9.076 ( 4.307 -2.218 2.167) 5.307 9.661 ( -3.491 8.297 0.709) 9.030 10.747 ( 2.766 -3.819 2.852) 5.511 11.139 ( -10.137 -10.561 -8.681) 17.020 11.655 ( 9.106 -10.708 9.250) 16.827 12.670 ( -24.519 -9.523 -8.633) 27.684 15.354 ( -1.627 2.310 1.171) 3.058 15.478 ( -0.709 -0.284 -0.024) 0.765 16.361 ( 1.963 1.627 0.171) 2.555 16.715 ( 13.981 3.647 0.293) 14.452 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 7.866 -4.259 -0.276) 8.949 0.842 ( 1.884 -10.505 -1.446) 10.770 0.971 ( 2.229 -2.215 -2.083) 3.770 1.026 ( 0.009 -2.481 -1.588) 2.945 1.105 ( -1.158 0.168 0.302) 1.209 1.167 ( 1.003 2.802 3.266) 4.418 1.266 ( 3.209 1.226 1.476) 3.739 1.437 ( -4.296 2.037 -5.377) 7.178 1.501 ( -2.050 -1.851 2.083) 3.460 1.661 ( 1.113 -4.303 0.532) 4.476 1.706 ( -0.933 -1.608 -1.201) 2.214 1.739 ( 3.479 -1.382 1.410) 4.000 1.912 ( 4.731 -2.656 3.974) 6.725 2.070 ( 0.603 4.986 4.822) 6.962 2.108 ( -4.419 -0.977 -5.488) 7.114 2.317 ( -4.314 6.070 -3.778) 8.350 2.363 ( 0.236 -8.087 1.808) 8.290 2.596 ( 2.344 0.682 -1.543) 2.888 2.632 ( 0.918 2.230 -4.129) 4.782 2.782 ( 3.123 3.969 4.818) 6.980 2.830 ( 1.916 -0.050 2.246) 2.952 2.856 ( -7.801 1.408 0.907) 7.979 3.031 ( 1.815 1.032 -0.729) 2.211 3.198 ( -6.007 -2.622 -8.181) 10.483 3.583 ( -0.661 1.630 0.567) 1.848 3.665 ( 5.143 1.515 -2.771) 6.035 3.827 ( 6.504 -7.206 5.530) 11.172 4.121 ( -8.117 -7.105 -3.199) 11.252 4.356 ( -0.209 6.032 -1.679) 6.265 4.446 ( 0.901 5.348 0.102) 5.425 4.985 ( 2.220 -1.599 1.916) 3.340 5.051 ( 3.551 0.130 -1.620) 3.906 5.522 ( 3.205 -1.024 8.865) 9.482 5.704 ( -0.800 -2.543 2.103) 3.396 5.859 ( -0.343 3.477 -2.464) 4.275 5.876 ( -1.003 3.302 -2.462) 4.239 8.166 ( 6.132 0.051 0.575) 6.159 8.288 ( -6.816 -1.332 -2.079) 7.249 9.169 ( 5.280 -2.171 1.930) 6.026 9.495 ( -3.982 5.813 0.353) 7.055 10.868 ( 4.435 -4.117 4.748) 7.692 11.194 ( -9.576 -7.477 -9.282) 15.289 11.957 ( 8.803 -9.566 9.731) 16.239 12.579 ( -16.393 -3.349 -7.337) 18.270 15.287 ( -2.327 2.629 0.529) 3.551 15.488 ( -0.092 -0.878 -0.073) 0.886 16.351 ( 1.040 0.941 0.004) 1.403 16.778 ( 8.222 0.926 -0.047) 8.274 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 1.919 -1.520 -0.644) 2.531 1.001 ( 0.717 -5.031 -0.894) 5.160 1.025 ( 0.450 -0.835 -0.444) 1.047 1.077 ( -0.761 -1.130 0.229) 1.381 1.101 ( 4.068 -0.119 2.349) 4.699 1.145 ( 0.933 1.437 1.118) 2.046 1.310 ( -3.712 -2.139 -6.282) 7.604 1.342 ( 2.938 0.652 1.864) 3.540 1.445 ( -3.850 3.456 0.567) 5.205 1.651 ( -0.600 1.439 0.102) 1.562 1.770 ( -0.665 -5.539 -0.132) 5.581 1.827 ( 1.060 -1.762 0.570) 2.134 1.938 ( 1.589 8.060 1.089) 8.287 2.026 ( 5.208 -1.339 3.304) 6.312 2.086 ( -2.207 -0.238 -2.431) 3.292 2.200 ( -3.535 1.142 -2.139) 4.286 2.503 ( 0.209 -4.087 1.335) 4.305 2.574 ( -0.941 0.273 -1.920) 2.155 2.650 ( 3.865 -0.767 -1.793) 4.329 2.730 ( -4.991 0.971 1.986) 5.458 2.785 ( 0.333 1.886 1.447) 2.401 2.869 ( 1.923 -0.625 2.151) 2.952 3.040 ( 2.460 0.798 -0.209) 2.594 3.159 ( -4.288 -1.084 -4.725) 6.472 3.560 ( -0.507 0.366 0.208) 0.659 3.656 ( 1.442 1.481 -0.915) 2.261 4.030 ( 7.480 -4.948 6.095) 10.844 4.137 ( -8.054 -2.992 -3.830) 9.407 4.273 ( 0.603 2.604 -1.040) 2.868 4.350 ( 0.107 4.263 -0.321) 4.277 5.028 ( 0.795 -0.882 1.316) 1.772 5.064 ( 1.359 0.357 -1.267) 1.892 5.579 ( 1.182 -0.838 3.702) 3.975 5.744 ( -1.009 -2.001 0.900) 2.415 5.792 ( -0.309 2.141 -1.154) 2.452 5.822 ( 0.335 1.774 -1.647) 2.444 8.211 ( 5.811 1.159 0.603) 5.956 8.249 ( -6.112 -1.489 -1.146) 6.395 9.257 ( 4.406 -1.707 1.064) 4.843 9.376 ( -3.862 2.869 -0.241) 4.817 10.980 ( 3.466 -1.826 3.692) 5.383 11.196 ( -5.272 -2.647 -5.332) 7.952 12.201 ( 7.543 -5.182 7.225) 11.660 12.457 ( -9.972 0.725 -6.140) 11.733 15.234 ( -1.037 1.103 0.078) 1.516 15.500 ( -0.003 -0.420 -0.025) 0.421 16.345 ( 0.373 0.320 0.002) 0.492 16.822 ( 2.793 0.102 0.005) 2.795 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 10.061 -0.000 9.114) 13.575 0.254 ( 11.896 -0.000 5.821) 13.244 0.544 ( 26.277 -0.000 7.557) 27.342 0.901 ( 3.453 -0.000 -1.454) 3.747 1.110 ( -1.416 0.000 0.604) 1.539 1.190 ( -3.827 0.000 -4.319) 5.770 1.247 ( 0.184 -0.000 3.866) 3.871 1.306 ( -4.089 0.000 -1.908) 4.512 1.554 ( 2.006 -0.000 -3.332) 3.890 1.579 ( 0.082 -0.000 -3.166) 3.167 1.662 ( -0.002 0.000 -1.699) 1.699 1.713 ( 4.271 -0.000 9.791) 10.682 1.811 ( -0.703 0.000 -3.297) 3.372 2.006 ( -1.641 0.000 -0.943) 1.893 2.116 ( -3.743 0.000 -0.413) 3.765 2.309 ( 3.862 -0.000 1.794) 4.259 2.358 ( 2.429 -0.000 0.644) 2.514 2.558 ( -9.501 0.000 -7.715) 12.239 2.752 ( 2.123 -0.000 -1.504) 2.602 2.872 ( 0.199 -0.000 -9.876) 9.878 2.965 ( 1.316 -0.000 1.833) 2.256 2.976 ( 6.613 -0.000 2.968) 7.248 3.131 ( 0.399 -0.000 1.997) 2.037 3.257 ( -1.502 0.000 -1.985) 2.490 3.290 ( 3.707 -0.000 6.976) 7.900 3.639 ( -0.489 0.000 0.375) 0.616 3.742 ( -6.691 0.000 -5.371) 8.580 3.949 ( 9.772 -0.000 -47.032) 48.037 4.592 ( 2.057 -0.000 1.326) 2.447 4.644 ( -2.778 0.000 -3.694) 4.622 4.894 ( 3.593 -0.000 2.436) 4.341 5.003 ( 5.500 -0.000 -1.155) 5.620 5.614 ( -0.185 0.000 2.118) 2.126 5.960 ( -4.773 0.000 9.149) 10.320 5.966 ( -3.209 0.000 -2.742) 4.221 6.087 ( -6.472 0.000 29.856) 30.550 8.078 ( 6.846 -0.000 0.590) 6.872 8.289 ( -5.395 0.000 -2.888) 6.119 9.026 ( 3.959 -0.000 1.246) 4.150 9.822 ( -4.777 0.000 1.917) 5.148 10.650 ( -0.129 0.000 2.727) 2.730 10.868 ( -8.328 0.000 -3.229) 8.932 11.403 ( 7.436 -0.000 6.055) 9.589 11.602 ( -1.243 0.000 -2.189) 2.518 15.381 ( -1.010 0.000 0.645) 1.198 15.514 ( -0.029 0.000 1.083) 1.083 16.434 ( 2.352 -0.000 -2.017) 3.098 17.228 ( 1.091 -0.000 -9.337) 9.401 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 7.137 -9.357 -0.134) 11.769 0.535 ( 12.492 -7.238 2.209) 14.605 0.880 ( 8.808 -5.520 1.941) 10.574 1.005 ( 10.467 -10.946 4.645) 15.842 1.079 ( -3.198 2.948 -2.681) 5.109 1.113 ( -1.517 1.225 -1.166) 2.272 1.253 ( 1.199 1.041 5.915) 6.124 1.300 ( -1.281 -2.475 -1.995) 3.427 1.533 ( -0.835 0.992 -3.305) 3.551 1.540 ( 0.539 2.369 -0.685) 2.524 1.660 ( -1.424 -1.012 -0.721) 1.889 1.793 ( 4.528 0.493 4.319) 6.277 1.832 ( -0.420 -2.340 0.505) 2.430 2.016 ( -2.498 -2.787 -0.983) 3.869 2.088 ( -2.429 -0.504 0.638) 2.562 2.295 ( 0.856 3.409 -0.091) 3.516 2.471 ( -1.464 -3.805 -1.648) 4.398 2.503 ( -8.174 -6.025 -4.196) 10.987 2.744 ( 2.039 2.377 -2.189) 3.821 2.823 ( -0.100 2.444 -9.520) 9.829 2.954 ( 1.283 3.171 3.058) 4.588 2.996 ( 3.744 4.646 3.977) 7.171 3.123 ( -0.518 1.531 0.434) 1.673 3.141 ( -0.615 4.583 -1.063) 4.745 3.473 ( 3.222 -9.031 6.721) 11.709 3.639 ( 0.038 -0.322 0.272) 0.424 3.752 ( -5.520 -8.084 -5.589) 11.272 3.854 ( 4.216 4.865 -20.219) 21.219 4.568 ( -3.185 3.650 -4.213) 6.419 4.596 ( 2.393 2.263 1.470) 3.606 4.943 ( 4.010 -0.531 2.878) 4.964 5.055 ( 5.931 0.002 -1.897) 6.227 5.623 ( 0.197 0.258 3.399) 3.415 5.721 ( 3.190 13.026 19.502) 23.668 5.953 ( -1.972 0.935 -2.184) 3.088 6.016 ( -0.532 4.342 1.359) 4.581 8.158 ( 8.729 -0.079 0.837) 8.770 8.236 ( -6.635 -1.294 -3.435) 7.582 9.088 ( 5.096 -1.639 2.385) 5.861 9.746 ( -7.415 4.532 1.392) 8.801 10.701 ( 0.208 -3.710 2.582) 4.525 10.864 ( -7.474 -7.712 -4.082) 11.489 11.570 ( 8.029 -8.112 6.435) 13.103 11.982 ( -22.372 -30.448 -8.993) 38.839 15.369 ( -2.112 0.238 0.401) 2.163 15.485 ( -0.647 2.338 1.097) 2.662 16.436 ( 4.125 2.152 -1.618) 4.926 17.023 ( 10.094 13.956 -1.892) 17.328 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 4.250 -11.989 -2.424) 12.949 0.751 ( 10.666 -3.397 0.515) 11.206 0.954 ( 1.975 -1.031 -3.713) 4.330 0.991 ( -0.844 -0.447 -2.303) 2.493 1.093 ( -1.337 0.001 0.096) 1.340 1.214 ( -0.962 0.376 2.882) 3.062 1.318 ( 1.256 0.670 -0.392) 1.476 1.411 ( 4.870 -6.065 4.089) 8.787 1.474 ( 2.120 0.928 1.490) 2.753 1.573 ( 1.736 -5.131 -0.864) 5.485 1.654 ( -3.161 -0.790 -1.064) 3.428 1.797 ( 3.167 2.403 0.690) 4.035 1.878 ( -1.129 -3.629 2.783) 4.710 2.047 ( 0.310 -1.179 0.900) 1.515 2.107 ( -0.717 -1.934 2.233) 3.040 2.245 ( -3.240 -0.866 -2.022) 3.916 2.412 ( -2.604 4.253 -2.066) 5.398 2.576 ( -2.366 -3.640 -0.944) 4.443 2.690 ( 1.159 3.321 -5.265) 6.332 2.762 ( -1.198 1.782 -4.115) 4.641 2.875 ( -1.512 4.157 2.201) 4.941 2.947 ( 3.621 4.415 3.427) 6.660 3.068 ( 0.446 2.042 -0.707) 2.206 3.114 ( -1.273 -0.820 -3.305) 3.635 3.595 ( -2.466 -0.057 3.654) 4.409 3.733 ( 7.211 -4.136 1.160) 8.394 3.775 ( 5.097 -0.104 -6.207) 8.032 3.870 ( -8.050 -10.219 -3.499) 13.471 4.447 ( -2.303 5.072 -3.557) 6.609 4.556 ( 1.979 4.656 1.029) 5.162 4.995 ( 3.064 -0.603 2.777) 4.179 5.092 ( 4.368 0.814 -2.366) 5.034 5.609 ( 3.104 3.450 9.365) 10.451 5.674 ( -0.208 -0.196 6.703) 6.709 5.897 ( -2.100 2.342 -1.775) 3.612 5.936 ( 0.871 4.054 -3.186) 5.229 8.178 ( -6.548 -1.554 -2.629) 7.225 8.256 ( 8.903 0.443 0.883) 8.957 9.183 ( 5.343 -2.220 2.353) 6.246 9.567 ( -7.133 6.631 0.787) 9.771 10.796 ( -1.616 -6.422 0.176) 6.624 10.963 ( -2.625 -8.412 -1.362) 8.916 11.850 ( 7.096 -11.583 7.548) 15.540 12.184 ( -20.697 -17.056 -9.420) 28.426 15.321 ( -2.326 2.560 0.082) 3.460 15.452 ( -2.266 -0.300 0.484) 2.337 16.428 ( 5.430 3.049 -0.842) 6.284 16.926 ( 7.974 6.551 -0.327) 10.325 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.334 -0.276 -1.369) 4.553 0.864 ( 1.819 -9.209 -2.492) 9.712 1.010 ( 1.230 -1.697 -1.530) 2.595 1.044 ( 2.717 -2.562 -0.197) 3.740 1.100 ( 1.421 -2.442 -0.179) 2.831 1.195 ( -0.182 1.111 2.107) 2.389 1.269 ( -3.441 3.092 -4.513) 6.463 1.389 ( 2.100 2.053 1.830) 3.460 1.500 ( 1.260 2.870 2.366) 3.927 1.655 ( -3.422 -3.254 -0.520) 4.750 1.677 ( 0.423 0.025 2.014) 2.058 1.820 ( 2.705 -1.558 0.257) 3.132 1.969 ( -1.146 -5.397 -2.689) 6.138 2.076 ( 2.360 0.060 2.106) 3.164 2.102 ( 0.601 2.561 4.037) 4.818 2.204 ( -4.156 4.177 -2.852) 6.546 2.383 ( 0.979 -5.320 1.430) 5.595 2.572 ( -1.063 0.094 -1.444) 1.796 2.660 ( -7.842 1.444 -2.234) 8.281 2.674 ( 2.216 0.941 -1.432) 2.801 2.846 ( -0.611 -0.565 -1.167) 1.433 2.918 ( 3.496 2.934 3.463) 5.729 3.043 ( -1.252 0.990 -5.211) 5.450 3.132 ( 3.602 -1.297 1.818) 4.238 3.568 ( -1.289 0.806 1.836) 2.384 3.712 ( 1.380 3.084 -3.515) 4.875 3.953 ( -6.661 -7.139 -4.159) 10.613 3.987 ( 6.738 -7.582 5.880) 11.724 4.339 ( -0.450 3.823 -2.595) 4.642 4.464 ( 0.885 6.643 0.104) 6.703 5.031 ( 1.211 -0.279 2.409) 2.710 5.093 ( 1.883 1.508 -2.061) 3.173 5.612 ( 2.125 1.399 4.516) 5.183 5.702 ( -1.054 -1.727 4.067) 4.542 5.830 ( -0.590 2.791 -0.280) 2.867 5.871 ( 1.246 2.978 -3.782) 4.973 8.144 ( -6.464 -2.145 -1.655) 7.009 8.322 ( 9.201 2.045 1.234) 9.506 9.266 ( 3.160 -1.396 1.362) 3.714 9.401 ( -5.501 4.240 0.047) 6.946 10.882 ( -5.546 -6.435 -4.726) 9.722 11.119 ( 5.282 -6.236 5.702) 9.965 12.130 ( 2.987 -9.039 4.187) 10.400 12.238 ( -12.757 -10.670 -6.559) 17.877 15.256 ( -1.036 2.161 -0.229) 2.407 15.450 ( -3.742 -2.115 0.285) 4.308 16.419 ( 5.929 3.460 -0.451) 6.880 16.888 ( 3.401 3.859 0.096) 5.145 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 3.743 1.900 0.048) 4.197 0.994 ( -1.370 -4.812 -2.528) 5.606 1.018 ( 0.098 -0.547 -0.430) 0.702 1.068 ( -0.995 0.997 -0.542) 1.509 1.106 ( -2.690 3.235 -2.117) 4.710 1.159 ( 0.342 2.430 0.150) 2.459 1.259 ( -0.371 -4.934 -0.514) 4.975 1.429 ( 4.531 -1.336 0.610) 4.763 1.450 ( 3.574 4.138 5.539) 7.783 1.648 ( 0.089 0.500 0.542) 0.743 1.727 ( -3.247 -6.110 -0.180) 6.921 1.836 ( -0.570 0.817 -0.437) 1.088 1.951 ( -0.451 5.020 -1.084) 5.155 2.011 ( -4.006 4.838 -3.376) 7.131 2.096 ( 0.186 -1.333 2.809) 3.115 2.193 ( 3.890 -2.598 0.603) 4.716 2.478 ( -1.686 -3.339 -2.426) 4.458 2.561 ( -8.449 -1.467 -1.425) 8.693 2.596 ( 1.942 -0.823 3.251) 3.875 2.716 ( 1.763 -2.479 0.339) 3.061 2.827 ( 1.578 2.119 -1.885) 3.246 2.918 ( 1.643 3.228 1.766) 4.029 2.981 ( -2.926 -0.447 -4.574) 5.448 3.228 ( 7.047 -1.604 5.381) 9.011 3.563 ( 0.178 -0.304 1.302) 1.349 3.651 ( -1.072 2.452 -1.265) 2.960 3.964 ( -7.588 -2.251 -5.349) 9.553 4.181 ( 5.139 -5.211 4.438) 8.559 4.287 ( 1.796 2.375 -1.111) 3.178 4.353 ( 0.294 4.395 -0.312) 4.416 5.036 ( -0.621 0.578 1.403) 1.640 5.066 ( -0.460 1.532 -0.986) 1.879 5.598 ( 0.482 2.088 -1.728) 2.753 5.739 ( -0.989 -2.424 3.244) 4.169 5.793 ( 0.650 1.546 1.831) 2.483 5.829 ( 1.403 1.716 -2.825) 3.591 8.128 ( -4.987 -1.978 -0.598) 5.399 8.358 ( 7.804 2.701 1.251) 8.353 9.241 ( -5.626 1.835 -0.777) 5.969 9.370 ( 2.783 -1.224 0.578) 3.095 10.902 ( -6.101 -3.050 -5.987) 9.076 11.297 ( 9.820 -2.460 10.025) 14.247 12.131 ( -11.627 -1.308 -9.286) 14.937 12.440 ( 5.669 -9.551 4.917) 12.146 15.234 ( 1.159 0.042 -0.288) 1.195 15.456 ( -4.442 -2.413 0.402) 5.071 16.407 ( 5.801 3.521 -0.420) 6.799 16.831 ( -1.729 3.309 0.169) 3.737 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.227 7.523 0.543) 7.642 0.940 ( -4.322 3.912 -1.970) 6.153 1.006 ( -0.123 1.842 -0.776) 2.002 1.063 ( -0.568 -1.281 1.049) 1.751 1.101 ( 1.602 -0.739 -0.825) 1.947 1.121 ( -0.417 0.378 -0.294) 0.635 1.256 ( -3.280 3.041 -1.155) 4.619 1.462 ( 5.658 -1.158 7.085) 9.141 1.531 ( 4.897 -1.570 -0.148) 5.145 1.669 ( 0.614 -1.410 0.917) 1.790 1.743 ( -2.525 3.431 0.375) 4.277 1.802 ( -1.361 4.043 -2.732) 5.066 1.885 ( -3.323 -0.825 -1.161) 3.615 1.911 ( -3.824 -3.725 -4.305) 6.858 2.153 ( 3.049 -2.307 4.956) 6.259 2.286 ( 4.384 -2.782 1.150) 5.318 2.468 ( -1.744 2.100 -2.812) 3.919 2.528 ( -7.590 -2.501 -1.757) 8.182 2.638 ( 2.621 -0.263 5.399) 6.007 2.718 ( -0.933 3.419 -1.082) 3.705 2.801 ( -1.611 1.724 -5.117) 5.635 2.881 ( 3.230 -2.935 -1.033) 4.485 3.005 ( 0.452 -1.636 1.157) 2.054 3.326 ( 7.925 0.758 7.830) 11.167 3.572 ( -0.397 0.328 1.746) 1.820 3.612 ( -2.406 -0.351 -0.886) 2.587 3.859 ( -6.852 4.015 -6.812) 10.463 4.268 ( -0.026 -2.598 1.007) 2.787 4.288 ( 5.710 2.692 1.501) 6.488 4.352 ( 0.044 -3.831 0.404) 3.853 5.002 ( -1.111 2.159 -0.599) 2.501 5.031 ( -2.510 0.744 0.794) 2.736 5.534 ( -0.857 3.562 -4.468) 5.778 5.761 ( 0.731 2.848 0.069) 2.941 5.795 ( -0.600 -3.496 1.546) 3.870 5.843 ( 1.432 -1.909 0.919) 2.557 8.114 ( -3.643 -0.738 -0.169) 3.721 8.381 ( 5.997 1.924 1.349) 6.441 9.155 ( -4.928 1.782 -1.254) 5.388 9.438 ( 2.262 -3.321 0.027) 4.018 10.859 ( -4.330 0.730 -4.400) 6.216 11.422 ( 11.382 2.990 11.592) 16.518 11.972 ( -10.895 4.267 -10.934) 16.015 12.665 ( 7.758 -6.599 4.266) 11.042 15.271 ( 3.003 -1.695 -0.517) 3.487 15.457 ( -4.243 -1.991 0.598) 4.725 16.395 ( 5.289 3.169 -0.562) 6.191 16.734 ( -6.295 3.102 0.270) 7.023 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -4.918 10.225 -0.164) 11.347 0.813 ( -1.170 8.926 0.243) 9.006 0.959 ( -0.341 2.408 0.701) 2.531 1.040 ( 0.344 0.871 1.530) 1.793 1.124 ( 0.696 -0.115 -0.157) 0.723 1.153 ( 1.008 -2.083 -0.846) 2.464 1.197 ( -2.879 -1.824 -1.666) 3.794 1.507 ( 0.772 11.448 0.145) 11.475 1.558 ( 3.663 0.726 2.946) 4.756 1.619 ( -0.969 1.180 -0.980) 1.815 1.673 ( -3.526 -0.324 -0.068) 3.542 1.738 ( 1.145 2.078 -0.231) 2.383 1.828 ( -2.026 -0.397 -1.962) 2.848 2.038 ( -0.618 -7.265 -1.883) 7.531 2.239 ( 5.895 1.680 5.876) 8.492 2.350 ( -0.857 5.223 -1.967) 5.646 2.369 ( -0.559 -2.216 -0.852) 2.439 2.521 ( -2.289 -4.968 0.744) 5.521 2.655 ( -2.489 -0.838 -1.524) 3.037 2.702 ( 0.507 -1.737 4.313) 4.678 2.772 ( -1.876 -2.084 -4.875) 5.624 2.986 ( 1.918 -4.478 -1.533) 5.107 3.053 ( 4.435 -1.299 1.573) 4.882 3.358 ( 5.961 5.682 6.865) 10.721 3.528 ( -6.242 0.818 0.401) 6.308 3.618 ( 0.378 -1.610 -1.402) 2.168 3.702 ( -3.937 5.437 -2.655) 7.219 4.255 ( 4.050 6.180 1.433) 7.526 4.364 ( 0.027 -7.168 0.563) 7.190 4.432 ( -0.468 -4.378 -0.089) 4.404 4.944 ( -1.051 2.551 -0.664) 2.838 4.994 ( -2.315 0.787 0.509) 2.498 5.435 ( -1.636 4.401 -4.481) 6.490 5.708 ( 0.300 3.060 -0.638) 3.140 5.863 ( -0.241 -3.693 0.868) 3.801 5.915 ( 1.106 -3.927 1.098) 4.225 8.084 ( -2.219 0.871 -0.127) 2.387 8.401 ( 3.466 1.208 1.141) 3.844 9.079 ( -2.805 2.098 -1.077) 3.664 9.541 ( 1.251 -6.263 -0.217) 6.390 10.783 ( -2.002 3.064 -1.981) 4.162 11.450 ( 11.278 8.540 11.371) 18.150 11.722 ( -10.524 8.473 -11.223) 17.564 12.851 ( 7.917 -4.505 3.111) 9.626 15.333 ( 2.565 -1.838 -0.797) 3.255 15.460 ( -2.387 -1.725 0.597) 3.005 16.383 ( 3.890 2.767 -0.711) 4.826 16.612 ( -8.023 2.360 0.417) 8.373 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 10.452 0.000) 10.452 0.580 ( 0.000 14.552 0.000) 14.552 0.905 ( 0.000 3.404 0.000) 3.404 1.106 ( -0.000 -6.176 -0.000) 6.176 1.124 ( 0.000 0.013 0.000) 0.013 1.125 ( 0.000 23.256 0.000) 23.256 1.190 ( -0.000 -1.739 -0.000) 1.739 1.243 ( -0.000 -1.690 -0.000) 1.690 1.573 ( 0.000 0.910 0.000) 0.910 1.627 ( 0.000 0.531 0.000) 0.531 1.652 ( -0.000 -0.410 -0.000) 0.410 1.690 ( 0.000 3.105 0.000) 3.105 1.845 ( -0.000 -0.940 -0.000) 0.940 2.127 ( -0.000 -3.217 -0.000) 3.217 2.167 ( 0.000 5.397 0.000) 5.397 2.252 ( 0.000 4.324 0.000) 4.324 2.487 ( -0.000 -8.989 -0.000) 8.989 2.621 ( 0.000 1.823 0.000) 1.823 2.689 ( -0.000 -9.635 -0.000) 9.635 2.747 ( -0.000 -3.262 -0.000) 3.262 2.821 ( -0.000 -3.875 -0.000) 3.875 3.059 ( -0.000 -3.044 -0.000) 3.044 3.131 ( -0.000 -2.624 -0.000) 2.624 3.263 ( 0.000 6.735 0.000) 6.735 3.480 ( 0.000 1.087 0.000) 1.087 3.565 ( 0.000 6.578 0.000) 6.578 3.653 ( -0.000 -1.570 -0.000) 1.570 4.137 ( 0.000 8.626 0.000) 8.626 4.502 ( -0.000 -3.418 -0.000) 3.418 4.512 ( -0.000 -7.777 -0.000) 7.777 4.893 ( 0.000 2.141 0.000) 2.141 4.968 ( 0.000 0.837 0.000) 0.837 5.333 ( 0.000 4.353 0.000) 4.353 5.656 ( 0.000 2.381 0.000) 2.381 5.927 ( -0.000 -3.022 -0.000) 3.022 6.000 ( -0.000 -4.110 -0.000) 4.110 8.048 ( 0.000 1.571 0.000) 1.571 8.395 ( 0.000 1.543 0.000) 1.543 9.025 ( 0.000 1.969 0.000) 1.969 9.692 ( -0.000 -9.043 -0.000) 9.043 10.710 ( 0.000 3.277 0.000) 3.277 11.333 ( 0.000 13.553 0.000) 13.553 11.472 ( 0.000 8.117 0.000) 8.117 12.980 ( -0.000 -3.573 -0.000) 3.573 15.369 ( -0.000 -0.973 -0.000) 0.973 15.484 ( -0.000 -1.497 -0.000) 1.497 16.348 ( 0.000 2.707 0.000) 2.707 16.534 ( 0.000 1.019 0.000) 1.019 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 9.173 -0.000 7.907) 12.110 0.496 ( 11.146 -0.000 4.654) 12.079 0.951 ( 1.753 -0.000 -2.219) 2.828 0.994 ( 14.112 -0.000 2.664) 14.361 1.087 ( -1.545 0.000 1.200) 1.957 1.114 ( 0.204 -0.000 -3.006) 3.013 1.232 ( -1.094 0.000 -2.565) 2.789 1.302 ( 4.401 -0.000 8.020) 9.148 1.534 ( 0.133 -0.000 -3.511) 3.513 1.594 ( 0.276 -0.000 1.325) 1.353 1.604 ( -4.420 0.000 -3.747) 5.794 1.781 ( -0.738 0.000 -5.336) 5.387 1.884 ( 7.873 -0.000 10.332) 12.990 1.970 ( -1.402 0.000 0.348) 1.445 2.067 ( -1.235 0.000 1.253) 1.759 2.317 ( -10.894 0.000 -9.346) 14.354 2.372 ( 1.740 -0.000 1.334) 2.192 2.428 ( 3.927 -0.000 0.803) 4.009 2.784 ( 1.596 -0.000 -0.902) 1.833 2.830 ( 0.585 -0.000 -9.219) 9.238 2.993 ( 0.961 -0.000 1.014) 1.397 3.076 ( 2.853 -0.000 -0.112) 2.856 3.190 ( 3.578 -0.000 5.117) 6.244 3.203 ( -2.908 0.000 -2.416) 3.781 3.423 ( 5.569 -0.000 9.776) 11.251 3.518 ( -13.263 0.000 -5.564) 14.383 3.641 ( 1.381 -0.000 -0.261) 1.406 3.909 ( 3.516 -0.000 -18.607) 18.936 4.551 ( -4.448 0.000 -5.468) 7.049 4.647 ( 2.896 -0.000 1.946) 3.489 4.986 ( 4.175 -0.000 3.380) 5.372 5.106 ( 5.873 -0.000 -2.715) 6.471 5.627 ( -0.125 0.000 4.122) 4.123 5.874 ( -4.076 0.000 -5.274) 6.666 5.918 ( -4.154 0.000 7.851) 8.882 6.116 ( -1.657 0.000 10.927) 11.052 8.143 ( -7.721 0.000 -4.286) 8.831 8.263 ( 12.297 -0.000 1.143) 12.350 9.129 ( 5.867 -0.000 1.928) 6.176 9.700 ( -9.693 0.000 2.616) 10.040 10.671 ( 0.369 -0.000 4.832) 4.846 10.690 ( -8.460 0.000 -3.414) 9.122 11.552 ( -2.335 0.000 -4.081) 4.702 11.574 ( 7.596 -0.000 4.387) 8.771 15.344 ( -3.125 0.000 -0.491) 3.164 15.512 ( -0.909 0.000 0.966) 1.326 16.493 ( 5.045 -0.000 -1.591) 5.290 17.198 ( -0.105 0.000 -4.869) 4.870 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 8.611 -3.431 2.036) 9.490 0.745 ( 8.497 -7.663 2.829) 11.787 0.952 ( 1.127 -0.777 -2.388) 2.752 0.984 ( -2.859 3.174 -4.201) 5.991 1.084 ( -1.033 -0.081 0.284) 1.074 1.186 ( 1.124 -2.378 1.780) 3.176 1.287 ( 1.971 -4.241 -0.900) 4.762 1.413 ( 8.884 -2.634 7.565) 11.962 1.512 ( 0.113 1.172 -1.129) 1.631 1.544 ( 1.510 0.240 -0.891) 1.770 1.612 ( -1.911 -0.769 -0.338) 2.088 1.785 ( -1.639 -2.901 -3.832) 5.078 1.901 ( 1.546 4.150 4.453) 6.280 2.035 ( 3.403 -3.532 3.745) 6.171 2.084 ( 2.755 -0.521 4.278) 5.115 2.190 ( -9.028 0.387 -6.893) 11.365 2.396 ( -0.991 -1.231 -0.417) 1.635 2.499 ( 2.162 -3.017 0.500) 3.745 2.754 ( 0.550 3.855 -5.746) 6.941 2.798 ( 1.076 1.698 -4.410) 4.846 2.979 ( -0.001 4.449 0.101) 4.450 3.049 ( -0.273 6.130 0.899) 6.201 3.101 ( 0.194 0.737 -0.887) 1.169 3.141 ( -0.944 5.292 1.141) 5.495 3.501 ( -6.751 -8.055 -0.423) 10.518 3.615 ( -2.052 -8.935 3.850) 9.944 3.697 ( 7.082 -4.085 1.437) 8.301 3.855 ( 2.673 3.574 -10.371) 11.291 4.472 ( -4.405 2.242 -5.271) 7.226 4.653 ( 2.750 2.860 1.806) 4.359 5.029 ( 3.150 0.128 3.111) 4.430 5.142 ( 4.337 0.715 -3.195) 5.434 5.642 ( -0.034 -0.467 4.723) 4.747 5.771 ( -1.929 4.902 2.070) 5.660 5.900 ( -2.749 0.505 2.786) 3.946 6.047 ( 1.518 6.534 2.591) 7.190 8.073 ( -7.464 -1.283 -3.733) 8.443 8.381 ( 13.520 0.957 1.497) 13.636 9.203 ( 5.562 -1.423 2.203) 6.149 9.581 ( -11.255 3.099 1.444) 11.763 10.637 ( -6.389 -4.186 -2.822) 8.143 10.805 ( 0.602 -9.454 4.625) 10.542 11.666 ( -8.588 -14.540 -6.016) 17.927 11.738 ( 5.332 -8.797 3.644) 10.913 15.310 ( -3.745 -0.049 -1.086) 3.900 15.471 ( -1.469 2.958 0.586) 3.354 16.526 ( 5.887 1.615 -0.763) 6.152 17.114 ( 2.703 6.735 -2.140) 7.567 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 5.202 -7.747 -1.189) 9.407 0.854 ( 1.009 -0.207 -1.957) 2.211 0.979 ( 1.849 -2.418 -1.920) 3.599 1.008 ( 2.602 -5.179 -1.064) 5.893 1.070 ( -0.776 0.213 -0.459) 0.927 1.196 ( -0.899 0.330 0.500) 1.080 1.309 ( -1.014 2.546 -1.607) 3.177 1.463 ( 3.397 1.691 2.744) 4.683 1.537 ( 0.306 -2.022 0.083) 2.047 1.590 ( -1.733 0.345 -0.547) 1.850 1.664 ( 4.319 -4.666 3.498) 7.257 1.821 ( -3.873 1.435 3.512) 5.421 1.863 ( 2.777 -3.217 -3.934) 5.791 2.076 ( -6.176 0.610 -3.260) 7.010 2.127 ( 1.588 -2.534 4.121) 5.092 2.182 ( 5.688 -1.789 5.124) 7.862 2.396 ( 0.011 0.468 1.030) 1.131 2.550 ( -0.326 -0.337 -0.520) 0.701 2.648 ( -1.647 3.757 -5.638) 6.973 2.752 ( 0.051 5.022 -1.553) 5.257 2.821 ( -3.050 3.771 -3.833) 6.182 3.004 ( 1.416 2.411 1.558) 3.201 3.041 ( -1.555 1.071 -3.077) 3.611 3.152 ( 3.430 -1.285 2.942) 4.698 3.540 ( -4.988 -2.695 -0.302) 5.678 3.714 ( -2.983 -4.094 -0.406) 5.082 3.811 ( 1.407 0.086 -5.005) 5.200 3.923 ( 8.308 -8.232 5.557) 12.949 4.374 ( -3.375 2.650 -4.414) 6.156 4.597 ( 1.709 5.894 0.994) 6.217 5.052 ( 1.472 0.491 2.477) 2.923 5.139 ( 2.070 1.899 -2.699) 3.896 5.662 ( 0.375 0.059 4.004) 4.022 5.699 ( -0.457 2.041 2.158) 3.006 5.870 ( -0.979 1.469 2.906) 3.400 5.950 ( 2.038 5.419 -2.669) 6.375 8.037 ( -6.011 -2.469 -2.286) 6.889 8.473 ( 12.628 2.918 1.804) 13.085 9.272 ( 1.525 -0.638 1.440) 2.193 9.416 ( -7.798 3.440 0.208) 8.525 10.681 ( -5.953 -7.072 -4.243) 10.171 11.039 ( 5.442 -10.601 7.655) 14.163 11.820 ( -13.613 -14.255 -9.298) 21.794 11.990 ( 4.561 -11.992 4.767) 13.687 15.272 ( -2.470 0.591 -0.973) 2.719 15.405 ( -2.688 1.595 0.258) 3.137 16.540 ( 6.276 2.774 -0.251) 6.866 17.016 ( 2.529 6.313 -0.430) 6.814 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.594 -5.567 -0.691) 5.641 0.905 ( 3.680 -3.041 -1.463) 4.993 1.011 ( -0.055 -0.747 -1.350) 1.544 1.071 ( 0.779 -0.332 -0.263) 0.886 1.100 ( -3.311 -2.001 -3.361) 5.124 1.171 ( -1.444 1.285 -0.416) 1.977 1.250 ( 3.720 1.973 1.247) 4.392 1.462 ( 3.525 1.983 1.925) 4.479 1.560 ( 1.982 1.269 3.039) 3.844 1.592 ( -1.678 -2.856 -0.031) 3.313 1.698 ( 0.795 2.741 1.715) 3.330 1.805 ( -3.419 -2.950 -0.859) 4.597 1.929 ( -2.285 -2.181 -3.937) 5.048 2.018 ( -2.934 -0.786 -2.609) 4.004 2.162 ( 2.336 2.389 5.411) 6.359 2.244 ( 4.518 3.340 3.445) 6.591 2.401 ( 0.460 -0.993 -1.993) 2.274 2.488 ( -6.953 1.945 -1.706) 7.419 2.589 ( 0.733 -1.283 0.725) 1.646 2.701 ( 1.182 -0.782 0.686) 1.574 2.796 ( -2.391 -2.090 -4.324) 5.365 2.976 ( 1.616 2.137 1.258) 2.960 3.004 ( -0.564 2.224 -2.686) 3.533 3.251 ( 5.886 -3.590 4.146) 8.045 3.536 ( -3.457 -1.563 -0.893) 3.898 3.705 ( 0.472 2.751 -0.077) 2.792 3.834 ( -3.815 -3.354 -3.691) 6.279 4.138 ( 5.756 -5.573 5.081) 9.487 4.312 ( -1.027 0.148 -3.315) 3.474 4.477 ( 0.425 7.757 0.025) 7.769 5.050 ( -0.164 0.959 1.801) 2.047 5.102 ( 0.332 2.525 -1.638) 3.028 5.648 ( 1.118 2.394 -0.442) 2.679 5.700 ( -1.054 -1.435 2.580) 3.135 5.842 ( 0.142 2.088 4.393) 4.866 5.877 ( 1.617 3.169 -4.447) 5.695 8.039 ( -3.833 -2.957 -0.886) 4.922 8.508 ( 9.214 4.719 1.552) 10.468 9.213 ( -7.192 1.643 -0.693) 7.409 9.381 ( 1.903 -0.364 0.729) 2.070 10.748 ( -4.591 -6.203 -4.098) 8.738 11.317 ( 9.810 -8.470 10.397) 16.616 11.885 ( -13.527 -9.002 -10.578) 19.389 12.274 ( 3.377 -12.995 3.673) 13.920 15.250 ( 0.738 0.334 -0.504) 0.954 15.370 ( -4.510 -1.224 0.202) 4.677 16.538 ( 6.085 3.582 -0.183) 7.063 16.911 ( -0.482 6.202 0.060) 6.221 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.937 2.534 0.348) 2.724 0.956 ( 2.707 1.947 -1.839) 3.808 1.023 ( -0.332 -1.237 0.931) 1.584 1.030 ( -1.128 0.948 -1.202) 1.902 1.092 ( 0.233 -0.521 -0.546) 0.789 1.124 ( -2.277 0.718 -1.250) 2.695 1.267 ( 0.549 0.876 0.943) 1.399 1.517 ( 3.928 -2.310 -0.176) 4.560 1.557 ( 3.309 1.142 4.331) 5.569 1.639 ( -2.969 -3.786 -0.191) 4.815 1.696 ( 2.244 -1.290 1.769) 3.135 1.797 ( -2.938 0.188 -1.673) 3.386 1.872 ( -4.096 2.579 -3.646) 6.060 1.968 ( -0.177 6.819 -0.496) 6.840 2.139 ( 1.921 -0.136 4.050) 4.485 2.268 ( 3.135 -3.135 -1.141) 4.578 2.405 ( -5.731 -1.812 -0.561) 6.037 2.439 ( -1.342 -1.662 -2.473) 3.268 2.661 ( 2.335 -2.040 3.678) 4.810 2.737 ( -0.127 -0.038 0.371) 0.394 2.811 ( -0.964 -3.629 -2.849) 4.713 2.910 ( -0.373 7.131 -1.589) 7.315 2.982 ( 1.166 -1.292 0.707) 1.879 3.391 ( 6.932 -2.994 5.198) 9.167 3.529 ( -4.493 -1.783 -2.170) 5.298 3.655 ( 2.078 3.392 1.546) 4.268 3.817 ( -4.915 -0.169 -4.226) 6.484 4.243 ( 0.688 -2.007 1.064) 2.374 4.334 ( 2.272 0.250 0.931) 2.468 4.355 ( 0.164 2.733 -0.946) 2.897 5.027 ( -0.822 1.275 1.073) 1.858 5.049 ( -0.461 2.713 -0.857) 2.883 5.596 ( 0.306 3.683 -1.481) 3.981 5.734 ( -0.558 -2.643 1.146) 2.934 5.817 ( 0.240 2.264 2.010) 3.038 5.841 ( 1.008 0.717 -1.674) 2.081 8.062 ( -1.792 -2.199 -0.148) 2.840 8.487 ( 4.318 4.213 0.832) 6.090 9.137 ( -3.754 0.915 -0.661) 3.920 9.412 ( 1.155 -1.294 0.208) 1.747 10.795 ( -2.441 -3.139 -2.396) 4.643 11.560 ( 11.899 -3.153 11.855) 17.090 11.848 ( -12.484 -2.885 -11.518) 17.228 12.541 ( 2.485 -11.734 1.954) 12.152 15.275 ( 3.350 -0.890 -0.403) 3.490 15.363 ( -5.055 -2.819 0.435) 5.804 16.519 ( 4.927 3.873 -0.280) 6.273 16.777 ( -3.159 6.271 0.156) 7.023 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 10.790 0.000) 10.790 0.899 ( 0.000 3.155 0.000) 3.155 1.002 ( 0.000 1.855 0.000) 1.855 1.057 ( -0.000 -1.022 -0.000) 1.022 1.120 ( -0.000 -2.322 -0.000) 2.322 1.121 ( -0.000 -0.403 -0.000) 0.403 1.217 ( 0.000 4.627 0.000) 4.627 1.546 ( -0.000 -1.627 -0.000) 1.627 1.613 ( -0.000 -1.210 -0.000) 1.210 1.643 ( 0.000 0.964 0.000) 0.964 1.721 ( 0.000 6.771 0.000) 6.771 1.789 ( 0.000 2.238 0.000) 2.238 1.811 ( -0.000 -3.341 -0.000) 3.341 1.876 ( -0.000 -3.291 -0.000) 3.291 2.214 ( -0.000 -5.038 -0.000) 5.038 2.360 ( -0.000 -1.678 -0.000) 1.678 2.407 ( -0.000 -3.362 -0.000) 3.362 2.436 ( 0.000 1.583 0.000) 1.583 2.698 ( 0.000 2.515 0.000) 2.515 2.711 ( -0.000 -0.821 -0.000) 0.821 2.746 ( 0.000 6.820 0.000) 6.820 2.899 ( -0.000 -5.271 -0.000) 5.271 3.031 ( -0.000 -2.680 -0.000) 2.680 3.489 ( -0.000 -0.084 -0.000) 0.084 3.500 ( 0.000 0.424 0.000) 0.424 3.612 ( 0.000 2.427 0.000) 2.427 3.755 ( 0.000 2.858 0.000) 2.858 4.268 ( -0.000 -2.507 -0.000) 2.507 4.353 ( 0.000 2.082 0.000) 2.082 4.353 ( -0.000 -3.468 -0.000) 3.468 4.991 ( 0.000 2.898 0.000) 2.898 5.002 ( 0.000 1.052 0.000) 1.052 5.514 ( 0.000 4.775 0.000) 4.775 5.768 ( 0.000 3.140 0.000) 3.140 5.793 ( -0.000 -3.650 -0.000) 3.650 5.862 ( -0.000 -2.249 -0.000) 2.249 8.079 ( -0.000 -0.512 -0.000) 0.512 8.448 ( 0.000 2.156 0.000) 2.156 9.098 ( 0.000 1.508 0.000) 1.508 9.458 ( -0.000 -3.307 -0.000) 3.307 10.806 ( 0.000 0.437 0.000) 0.437 11.700 ( 0.000 2.625 0.000) 2.625 11.701 ( 0.000 4.019 0.000) 4.019 12.753 ( -0.000 -9.090 -0.000) 9.090 15.319 ( -0.000 -1.390 -0.000) 1.390 15.394 ( -0.000 -3.258 -0.000) 3.258 16.475 ( 0.000 3.802 0.000) 3.802 16.645 ( 0.000 5.215 0.000) 5.215 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 7.504 -0.000 5.951) 9.577 0.706 ( 8.951 -0.000 3.472) 9.601 0.924 ( -2.899 0.000 -2.154) 3.612 1.010 ( -1.666 0.000 -4.281) 4.594 1.053 ( -2.068 0.000 -0.656) 2.169 1.185 ( 1.389 -0.000 2.241) 2.637 1.273 ( 4.909 -0.000 -0.249) 4.916 1.454 ( 2.055 -0.000 1.782) 2.720 1.498 ( -3.663 0.000 -2.907) 4.676 1.573 ( 2.426 -0.000 2.289) 3.335 1.628 ( 6.049 -0.000 2.969) 6.739 1.722 ( -2.622 0.000 -4.089) 4.857 1.959 ( -0.510 0.000 -0.816) 0.962 2.045 ( 4.345 -0.000 4.097) 5.972 2.073 ( -9.864 0.000 -7.001) 12.095 2.161 ( 10.451 -0.000 9.663) 14.234 2.379 ( -1.431 0.000 -0.315) 1.466 2.502 ( 3.221 -0.000 0.721) 3.301 2.798 ( 0.586 -0.000 -1.549) 1.656 2.799 ( 0.416 -0.000 -7.806) 7.817 3.012 ( 0.691 -0.000 0.218) 0.724 3.114 ( 1.480 -0.000 1.059) 1.819 3.131 ( -3.285 0.000 -2.779) 4.302 3.229 ( -13.852 0.000 -5.531) 14.915 3.260 ( 1.253 -0.000 2.376) 2.687 3.545 ( 1.705 -0.000 7.071) 7.274 3.733 ( 8.375 -0.000 2.367) 8.703 3.880 ( 0.579 -0.000 -7.611) 7.633 4.431 ( -5.297 0.000 -5.598) 7.707 4.713 ( 2.899 -0.000 1.999) 3.521 5.065 ( 2.329 -0.000 2.751) 3.604 5.176 ( 3.228 -0.000 -3.441) 4.718 5.650 ( -0.242 0.000 5.931) 5.936 5.781 ( -2.125 0.000 -7.021) 7.335 5.889 ( -2.627 0.000 5.593) 6.179 6.136 ( -0.485 0.000 4.877) 4.901 7.984 ( -6.544 0.000 -3.742) 7.538 8.534 ( 15.843 -0.000 1.404) 15.905 9.248 ( 5.458 -0.000 1.802) 5.747 9.489 ( -14.050 0.000 1.829) 14.169 10.533 ( -6.520 0.000 -2.627) 7.029 10.711 ( 1.026 -0.000 5.197) 5.297 11.481 ( -2.618 0.000 -4.638) 5.326 11.715 ( 5.344 -0.000 2.755) 6.013 15.269 ( -3.791 0.000 -1.626) 4.125 15.490 ( -1.685 0.000 0.124) 1.690 16.591 ( 5.339 -0.000 -0.173) 5.342 17.181 ( 0.199 -0.000 -2.310) 2.318 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 7.358 -0.586 2.835) 7.907 0.842 ( 0.208 -1.097 -1.219) 1.653 0.922 ( -0.697 -3.808 -1.236) 4.064 0.961 ( 1.022 -0.272 -1.546) 1.873 1.057 ( -1.645 -1.010 -1.155) 2.250 1.200 ( 0.327 -0.110 1.480) 1.520 1.321 ( 0.827 -0.236 -0.597) 1.047 1.481 ( -1.752 -1.731 -0.767) 2.580 1.495 ( 3.490 -2.115 2.352) 4.710 1.601 ( 0.325 -0.686 0.603) 0.969 1.644 ( 1.562 0.611 0.445) 1.735 1.765 ( 1.353 -3.962 0.241) 4.193 1.904 ( -3.061 3.081 -3.407) 5.520 1.991 ( -5.605 -0.239 -1.979) 5.948 2.120 ( 4.462 -1.699 4.100) 6.294 2.288 ( 11.507 1.200 9.456) 14.942 2.367 ( -1.860 -1.378 -1.111) 2.567 2.542 ( 1.765 -1.191 0.477) 2.182 2.713 ( -1.880 5.485 -6.898) 9.011 2.794 ( 0.121 1.110 -2.281) 2.539 2.951 ( -1.825 9.560 -1.469) 9.843 3.019 ( -4.375 1.357 -2.708) 5.321 3.059 ( -1.766 2.655 -0.243) 3.198 3.153 ( 1.350 -1.675 1.953) 2.906 3.371 ( -4.375 -7.578 -1.515) 8.880 3.626 ( 0.156 -4.446 3.027) 5.381 3.844 ( 0.409 2.092 -4.064) 4.589 3.879 ( 8.670 -5.813 4.566) 11.393 4.357 ( -4.978 1.204 -4.917) 7.100 4.708 ( 2.055 3.617 1.418) 4.395 5.082 ( 1.191 0.571 1.921) 2.332 5.180 ( 1.568 1.233 -2.754) 3.401 5.665 ( -0.700 -0.341 5.757) 5.810 5.733 ( -0.211 1.656 -4.967) 5.240 5.880 ( -1.349 0.172 3.293) 3.563 6.080 ( 0.775 5.905 1.654) 6.181 7.939 ( -4.709 -1.748 -2.413) 5.572 8.664 ( 15.574 2.634 1.611) 15.877 9.279 ( -3.084 1.535 1.137) 3.628 9.369 ( -7.380 -0.831 0.599) 7.451 10.515 ( -4.524 -4.302 -2.202) 6.620 10.859 ( 1.636 -12.205 5.119) 13.336 11.510 ( -4.613 -6.685 -5.337) 9.719 11.842 ( 3.395 -8.043 2.328) 9.035 15.237 ( -2.909 -0.483 -1.345) 3.241 15.442 ( -1.469 3.096 -0.029) 3.427 16.626 ( 4.403 1.110 0.125) 4.543 17.136 ( 0.798 4.378 -0.968) 4.554 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 1.525 -2.853 -0.684) 3.307 0.870 ( 2.936 -3.751 0.095) 4.764 0.953 ( -3.288 -3.100 -1.711) 4.832 1.034 ( 1.416 -2.546 -0.833) 3.030 1.058 ( -0.901 -0.979 -0.576) 1.449 1.197 ( -0.019 1.132 0.592) 1.277 1.307 ( 1.130 1.284 -0.221) 1.724 1.504 ( -1.349 -2.533 -0.401) 2.897 1.558 ( 2.780 2.841 1.459) 4.234 1.603 ( 2.376 -2.076 2.105) 3.793 1.710 ( 0.014 -2.812 1.682) 3.277 1.786 ( -0.413 4.990 -0.296) 5.016 1.828 ( -4.371 -3.981 -4.313) 7.318 1.969 ( -1.658 -1.661 -0.523) 2.405 2.189 ( 2.281 -1.125 3.111) 4.018 2.336 ( 2.767 1.043 2.522) 3.886 2.425 ( 4.174 -0.122 4.039) 5.810 2.541 ( -0.306 5.030 -1.260) 5.195 2.576 ( -3.594 1.656 -4.073) 5.679 2.735 ( -0.873 6.683 -0.238) 6.744 2.765 ( -0.739 1.505 -2.601) 3.095 2.994 ( -1.422 -1.395 -1.724) 2.634 3.026 ( 0.410 1.814 0.341) 1.890 3.227 ( 2.533 -3.893 2.163) 5.123 3.436 ( -3.888 -4.234 -1.771) 6.015 3.708 ( 0.451 -3.308 1.608) 3.705 3.800 ( -0.213 2.000 -2.380) 3.116 4.094 ( 6.288 -7.397 4.770) 10.817 4.278 ( -4.140 1.049 -4.198) 5.989 4.624 ( 0.692 6.940 0.440) 6.989 5.076 ( 0.264 1.196 1.024) 1.597 5.149 ( 0.373 2.357 -1.301) 2.718 5.678 ( -0.909 -0.586 3.650) 3.807 5.697 ( 0.895 1.798 -2.692) 3.359 5.873 ( -0.310 0.582 1.740) 1.861 5.972 ( 0.930 6.101 -0.629) 6.203 7.949 ( -2.280 -3.141 -0.866) 3.977 8.708 ( 9.762 6.473 1.405) 11.797 9.163 ( -8.471 0.987 -0.612) 8.550 9.387 ( 1.109 -0.937 0.528) 1.545 10.585 ( -2.348 -6.687 -1.659) 7.279 11.180 ( 4.478 -16.584 6.120) 18.236 11.583 ( -6.730 -7.862 -6.362) 12.148 12.065 ( 1.598 -12.243 1.622) 12.453 15.233 ( -1.071 -1.417 -0.585) 1.870 15.367 ( -1.206 3.224 0.032) 3.442 16.632 ( 2.934 1.975 0.078) 3.538 17.036 ( 0.240 6.656 -0.167) 6.663 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.000 -5.076 -0.000) 5.076 0.972 ( -0.000 -2.633 -0.000) 2.633 0.976 ( -0.000 -3.396 -0.000) 3.396 1.042 ( 0.000 1.381 0.000) 1.381 1.081 ( -0.000 -1.006 -0.000) 1.006 1.156 ( 0.000 2.976 0.000) 2.976 1.304 ( 0.000 0.777 0.000) 0.777 1.509 ( 0.000 1.964 0.000) 1.964 1.542 ( -0.000 -2.354 -0.000) 2.354 1.637 ( 0.000 3.135 0.000) 3.135 1.714 ( -0.000 -4.528 -0.000) 4.528 1.748 ( 0.000 2.150 0.000) 2.150 1.866 ( -0.000 -1.942 -0.000) 1.942 2.000 ( -0.000 -1.532 -0.000) 1.532 2.228 ( -0.000 -1.512 -0.000) 1.512 2.294 ( 0.000 9.809 0.000) 9.809 2.384 ( 0.000 3.196 0.000) 3.196 2.403 ( 0.000 0.409 0.000) 0.409 2.611 ( -0.000 -4.349 -0.000) 4.349 2.724 ( -0.000 -3.061 -0.000) 3.061 2.745 ( 0.000 0.097 0.000) 0.097 2.990 ( 0.000 1.832 0.000) 1.832 2.995 ( 0.000 1.556 0.000) 1.556 3.346 ( -0.000 -6.142 -0.000) 6.142 3.464 ( -0.000 -1.687 -0.000) 1.687 3.738 ( 0.000 3.581 0.000) 3.581 3.767 ( -0.000 -2.059 -0.000) 2.059 4.227 ( -0.000 -0.072 -0.000) 0.072 4.275 ( -0.000 -6.066 -0.000) 6.066 4.480 ( 0.000 8.299 0.000) 8.299 5.051 ( 0.000 1.538 0.000) 1.538 5.099 ( 0.000 2.845 0.000) 2.845 5.657 ( 0.000 2.746 0.000) 2.746 5.695 ( -0.000 -1.432 -0.000) 1.432 5.857 ( 0.000 1.415 0.000) 1.415 5.883 ( 0.000 3.647 0.000) 3.647 8.000 ( -0.000 -3.326 -0.000) 3.326 8.618 ( 0.000 7.057 0.000) 7.057 9.122 ( -0.000 -0.126 -0.000) 0.126 9.404 ( -0.000 -0.446 -0.000) 0.446 10.693 ( -0.000 -6.018 -0.000) 6.018 11.526 ( -0.000 -13.763 -0.000) 13.763 11.643 ( -0.000 -4.898 -0.000) 4.898 12.316 ( -0.000 -13.353 -0.000) 13.353 15.270 ( -0.000 -2.870 -0.000) 2.870 15.312 ( 0.000 1.653 0.000) 1.653 16.603 ( 0.000 2.784 0.000) 2.784 16.899 ( 0.000 7.712 0.000) 7.712 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 3.872 -0.000 2.934) 4.858 0.849 ( 4.294 -0.000 2.603) 5.021 0.861 ( -1.967 0.000 -1.365) 2.394 0.963 ( -1.282 0.000 -3.235) 3.480 1.012 ( -1.609 0.000 -0.968) 1.878 1.204 ( 0.178 -0.000 1.217) 1.230 1.325 ( 0.264 -0.000 -0.738) 0.784 1.455 ( -0.646 0.000 0.203) 0.677 1.502 ( 3.800 -0.000 2.021) 4.305 1.585 ( -0.093 0.000 0.337) 0.349 1.659 ( -2.139 0.000 -2.276) 3.123 1.746 ( 2.556 -0.000 1.401) 2.915 1.851 ( -5.850 0.000 -4.645) 7.470 1.985 ( -0.300 0.000 0.384) 0.487 2.167 ( 5.797 -0.000 4.161) 7.135 2.317 ( -4.022 0.000 -2.307) 4.637 2.458 ( 14.067 -0.000 10.799) 17.734 2.546 ( 1.174 -0.000 0.276) 1.206 2.727 ( -5.922 0.000 -9.191) 10.933 2.795 ( 0.046 -0.000 -0.874) 0.875 2.959 ( -6.727 0.000 -2.133) 7.057 3.044 ( 0.428 -0.000 -1.135) 1.214 3.077 ( -2.478 0.000 -0.235) 2.489 3.143 ( 0.875 -0.000 0.786) 1.176 3.270 ( -0.329 0.000 0.398) 0.517 3.581 ( 0.342 -0.000 1.967) 1.996 3.858 ( -0.148 0.000 -2.114) 2.119 3.903 ( 5.923 -0.000 3.112) 6.691 4.313 ( -3.850 0.000 -3.389) 5.129 4.764 ( 1.361 -0.000 0.973) 1.673 5.099 ( 0.528 -0.000 0.990) 1.123 5.197 ( 0.725 -0.000 -1.709) 1.856 5.668 ( -0.770 0.000 3.975) 4.049 5.735 ( 0.265 -0.000 -4.379) 4.387 5.877 ( -0.848 0.000 2.092) 2.257 6.147 ( -0.081 0.000 1.440) 1.442 7.882 ( -2.550 0.000 -1.483) 2.950 8.846 ( 16.097 -0.000 0.938) 16.124 9.211 ( -15.503 0.000 0.324) 15.506 9.331 ( 2.340 -0.000 0.773) 2.465 10.435 ( -2.592 0.000 -1.032) 2.790 10.749 ( 0.648 -0.000 2.434) 2.518 11.424 ( -1.243 0.000 -2.245) 2.566 11.793 ( 1.922 -0.000 0.942) 2.140 15.208 ( -1.673 0.000 -0.878) 1.889 15.462 ( -0.891 0.000 -0.138) 0.901 16.666 ( 2.246 -0.000 0.178) 2.253 17.179 ( 0.205 -0.000 -0.609) 0.643 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 2.906 0.000) 2.906 0.825 ( -0.000 -2.266 -0.000) 2.266 0.886 ( -0.000 -1.240 -0.000) 1.240 0.991 ( -0.000 -3.344 -0.000) 3.344 1.026 ( -0.000 -1.470 -0.000) 1.470 1.208 ( 0.000 0.011 0.000) 0.011 1.323 ( 0.000 0.212 0.000) 0.212 1.459 ( -0.000 -1.295 -0.000) 1.295 1.563 ( -0.000 -2.411 -0.000) 2.411 1.620 ( 0.000 2.138 0.000) 2.138 1.643 ( -0.000 -6.413 -0.000) 6.413 1.759 ( 0.000 0.739 0.000) 0.739 1.827 ( -0.000 -0.692 -0.000) 0.692 1.962 ( 0.000 1.844 0.000) 1.844 2.205 ( 0.000 0.396 0.000) 0.396 2.311 ( -0.000 -2.358 -0.000) 2.358 2.545 ( 0.000 1.741 0.000) 1.741 2.567 ( 0.000 0.381 0.000) 0.381 2.578 ( 0.000 5.391 0.000) 5.391 2.786 ( 0.000 1.116 0.000) 1.116 2.927 ( 0.000 11.012 0.000) 11.012 2.943 ( -0.000 -1.957 -0.000) 1.957 3.053 ( 0.000 0.945 0.000) 0.945 3.176 ( -0.000 -2.721 -0.000) 2.721 3.327 ( -0.000 -5.001 -0.000) 5.001 3.637 ( -0.000 -4.250 -0.000) 4.250 3.835 ( 0.000 1.829 0.000) 1.829 3.996 ( -0.000 -6.094 -0.000) 6.094 4.277 ( 0.000 1.275 0.000) 1.275 4.733 ( 0.000 4.036 0.000) 4.036 5.097 ( 0.000 0.674 0.000) 0.674 5.185 ( 0.000 1.381 0.000) 1.381 5.671 ( -0.000 -0.201 -0.000) 0.201 5.722 ( 0.000 0.904 0.000) 0.904 5.877 ( -0.000 -0.045 -0.000) 0.045 6.091 ( 0.000 5.517 0.000) 5.517 7.887 ( -0.000 -1.970 -0.000) 1.970 8.895 ( 0.000 5.801 0.000) 5.801 9.110 ( -0.000 -0.222 -0.000) 0.222 9.366 ( -0.000 -1.844 -0.000) 1.844 10.465 ( -0.000 -4.392 -0.000) 4.392 10.892 ( -0.000 -13.832 -0.000) 13.832 11.451 ( -0.000 -3.683 -0.000) 3.683 11.881 ( -0.000 -7.904 -0.000) 7.904 15.205 ( -0.000 -0.699 -0.000) 0.699 15.427 ( 0.000 3.085 0.000) 3.085 16.670 ( 0.000 0.806 0.000) 0.806 17.140 ( 0.000 4.061 0.000) 4.061 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 0.221 -0.000 12.416) 12.418 0.348 ( 3.308 -0.000 15.710) 16.054 0.603 ( 2.290 -0.000 26.122) 26.222 0.803 ( 0.117 -0.000 -4.593) 4.594 1.182 ( -4.671 0.000 -6.718) 8.183 1.231 ( -2.139 0.000 7.357) 7.661 1.239 ( 3.561 -0.000 1.230) 3.767 1.339 ( -2.608 0.000 -1.079) 2.823 1.473 ( 1.636 -0.000 -1.679) 2.344 1.544 ( 0.117 -0.000 0.690) 0.700 1.624 ( -0.795 0.000 -2.694) 2.808 1.757 ( -1.055 0.000 -5.891) 5.985 1.805 ( 3.727 -0.000 9.271) 9.992 2.029 ( -2.269 0.000 -0.651) 2.361 2.120 ( -0.055 0.000 -5.132) 5.132 2.264 ( 2.104 -0.000 1.548) 2.612 2.321 ( 0.686 -0.000 -1.396) 1.555 2.571 ( -7.715 0.000 -11.151) 13.559 2.666 ( 1.986 -0.000 -1.807) 2.685 2.848 ( -4.479 0.000 -4.038) 6.031 2.949 ( 3.442 -0.000 4.735) 5.854 2.995 ( -1.237 0.000 1.948) 2.307 3.146 ( 1.528 -0.000 1.581) 2.198 3.289 ( -2.211 0.000 -1.254) 2.542 3.321 ( 3.789 -0.000 5.407) 6.603 3.522 ( -13.172 0.000 -2.247) 13.362 3.673 ( 0.731 -0.000 3.183) 3.265 4.018 ( -15.240 0.000 -2.749) 15.486 4.568 ( 1.782 -0.000 0.174) 1.790 4.654 ( -3.158 0.000 -2.021) 3.749 4.879 ( 1.810 -0.000 2.117) 2.785 4.951 ( -2.202 0.000 0.150) 2.207 5.637 ( 1.569 -0.000 2.401) 2.868 5.923 ( 4.213 -0.000 -4.327) 6.039 6.016 ( -3.493 0.000 0.946) 3.618 6.057 ( 20.114 -0.000 0.977) 20.137 8.046 ( -0.154 0.000 3.026) 3.030 8.322 ( 0.133 -0.000 -2.527) 2.530 9.858 ( 2.772 -0.000 -0.154) 2.776 9.879 ( -25.306 0.000 -0.580) 25.313 10.672 ( 2.496 -0.000 2.449) 3.497 10.935 ( -4.468 0.000 -3.610) 5.744 11.434 ( 3.591 -0.000 2.829) 4.572 11.606 ( -2.195 0.000 -1.231) 2.516 15.402 ( 0.770 -0.000 1.352) 1.556 15.503 ( 0.131 -0.000 -0.742) 0.753 16.360 ( 20.222 -0.000 0.614) 20.232 16.413 ( -2.921 0.000 -0.501) 2.964 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 7.974 -4.321 9.487) 13.125 0.417 ( 0.215 -4.799 11.801) 12.741 0.815 ( 1.637 -2.147 -2.818) 3.903 0.964 ( 8.574 -17.769 16.404) 25.658 1.064 ( -4.621 4.445 -7.803) 10.100 1.223 ( -2.516 0.577 6.320) 6.827 1.276 ( 3.351 0.444 3.647) 4.972 1.306 ( -0.889 -0.327 -0.791) 1.234 1.475 ( -1.077 -0.677 -2.758) 3.037 1.542 ( -0.620 1.588 -0.914) 1.935 1.642 ( 1.572 -1.627 -1.285) 2.602 1.716 ( -0.098 0.986 -4.518) 4.625 1.909 ( 3.723 -3.057 8.332) 9.624 2.045 ( -3.123 -2.635 -2.301) 4.690 2.111 ( -1.193 -1.601 -2.734) 3.385 2.257 ( 2.103 1.965 0.367) 2.902 2.434 ( -0.412 -7.010 -6.109) 9.307 2.498 ( -5.071 -2.930 -10.923) 12.394 2.654 ( 2.996 3.157 -2.400) 4.970 2.714 ( -3.334 5.743 -3.726) 7.614 2.979 ( 1.513 2.163 2.818) 3.861 3.033 ( 0.634 -0.696 2.386) 2.565 3.127 ( 1.396 4.017 -0.286) 4.262 3.145 ( -2.156 4.616 -0.957) 5.184 3.488 ( 2.894 -7.274 2.814) 8.319 3.513 ( -0.849 -2.989 1.342) 3.385 3.699 ( -0.144 -1.671 4.980) 5.255 3.929 ( -11.121 -5.190 -1.377) 12.350 4.569 ( 2.397 2.194 0.694) 3.323 4.581 ( -3.578 3.598 -2.078) 5.483 4.916 ( 3.406 -0.542 2.334) 4.164 4.957 ( 2.147 -0.471 -0.540) 2.263 5.654 ( 1.671 0.575 2.853) 3.356 5.871 ( 4.175 10.941 8.985) 14.761 5.902 ( -0.505 1.437 -4.699) 4.940 6.061 ( 2.969 7.453 0.780) 8.060 8.079 ( 2.829 -1.023 3.199) 4.392 8.315 ( -1.855 -0.247 -2.149) 2.849 9.322 ( -10.173 13.664 16.409) 23.653 9.828 ( -0.946 7.338 -1.502) 7.550 10.726 ( 2.889 -2.461 3.892) 5.436 10.926 ( -7.777 -6.150 -5.417) 11.298 11.540 ( 7.897 -9.897 7.784) 14.863 12.149 ( -18.403 -33.691 -23.680) 45.105 15.406 ( -0.305 0.372 1.200) 1.293 15.488 ( -0.730 0.785 -0.905) 1.403 16.376 ( 0.170 1.297 -0.402) 1.368 16.570 ( 20.634 1.909 -5.191) 21.362 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 4.473 -7.962 5.205) 10.512 0.606 ( 4.702 -8.821 4.473) 10.951 0.869 ( 1.772 -2.216 -2.377) 3.701 0.943 ( -1.719 0.746 -6.262) 6.537 1.187 ( -3.014 0.731 4.295) 5.297 1.275 ( 1.491 0.505 4.151) 4.439 1.293 ( 0.465 0.768 0.811) 1.209 1.411 ( 5.020 -7.320 6.893) 11.238 1.472 ( -0.394 -0.172 -0.402) 0.589 1.520 ( 0.927 -5.231 -1.662) 5.566 1.672 ( 1.848 0.439 -2.745) 3.338 1.695 ( -0.646 -0.470 -2.605) 2.725 1.987 ( 1.973 0.261 6.709) 6.998 2.047 ( -1.847 -0.681 -2.419) 3.118 2.143 ( -0.511 -2.256 0.746) 2.431 2.273 ( -0.981 -4.069 1.110) 4.330 2.389 ( -2.635 4.223 -5.447) 7.379 2.570 ( 0.400 -2.726 -3.485) 4.443 2.578 ( -0.921 3.789 -4.744) 6.141 2.654 ( 2.386 -2.093 -6.694) 7.408 2.938 ( 4.417 5.768 4.212) 8.398 2.969 ( -4.796 2.286 -1.395) 5.493 3.073 ( -0.515 3.391 0.133) 3.432 3.090 ( -1.621 -0.369 -1.979) 2.585 3.544 ( 2.419 0.259 0.141) 2.437 3.640 ( 3.422 -3.006 0.537) 4.586 3.783 ( 0.854 -6.482 8.525) 10.744 3.972 ( -8.931 -8.894 -3.787) 13.160 4.457 ( -3.021 5.432 -1.247) 6.339 4.532 ( 2.108 4.427 0.611) 4.941 4.965 ( 3.590 -0.579 0.910) 3.748 4.996 ( 3.788 -0.681 0.326) 3.863 5.658 ( 1.485 1.536 3.172) 3.824 5.784 ( 0.634 3.240 5.416) 6.343 5.856 ( 0.493 2.460 -2.364) 3.447 5.943 ( -0.474 5.926 0.452) 5.962 8.141 ( 4.673 -0.752 3.012) 5.611 8.289 ( -4.520 -0.842 -1.425) 4.814 9.202 ( -0.103 1.485 7.854) 7.993 9.649 ( -2.015 8.858 -1.881) 9.277 10.834 ( 1.693 -5.153 4.040) 6.763 10.978 ( -5.142 -7.446 -5.044) 10.360 11.862 ( 7.011 -12.972 9.717) 17.659 12.348 ( -18.669 -15.167 -17.891) 29.978 15.366 ( -2.904 2.488 -0.220) 3.830 15.477 ( 0.233 -0.310 0.051) 0.391 16.357 ( 0.323 0.871 -0.401) 1.012 16.682 ( 13.850 1.413 -2.303) 14.111 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 3.586 -2.953 1.318) 4.829 0.824 ( 0.360 -10.835 0.430) 10.850 0.958 ( 3.832 -6.570 0.252) 7.610 0.981 ( 1.454 -3.637 -1.372) 4.150 1.156 ( -3.238 -0.114 1.456) 3.553 1.243 ( 0.003 2.740 3.187) 4.202 1.274 ( -0.550 3.317 1.929) 3.876 1.382 ( 0.680 2.542 0.669) 2.715 1.515 ( -0.692 -0.204 -0.168) 0.741 1.638 ( 0.856 1.952 -5.331) 5.741 1.680 ( -0.145 -3.007 -0.418) 3.040 1.759 ( 4.032 -5.234 1.491) 6.773 1.974 ( -2.137 1.209 -2.239) 3.324 2.051 ( 4.452 1.001 4.168) 6.180 2.168 ( 0.546 0.791 3.417) 3.549 2.214 ( -4.825 5.816 -5.081) 9.106 2.412 ( -0.807 -6.909 2.206) 7.297 2.541 ( 1.043 -1.434 -0.867) 1.974 2.588 ( 4.042 1.422 -1.155) 4.437 2.699 ( -3.748 -3.377 -7.877) 9.354 2.891 ( -5.068 0.698 -0.829) 5.182 2.918 ( 3.251 0.985 4.002) 5.249 3.004 ( -1.343 3.037 -1.762) 3.760 3.094 ( 2.215 -0.895 0.266) 2.404 3.549 ( 1.750 1.001 -0.924) 2.218 3.676 ( 1.277 0.603 1.428) 2.008 3.970 ( 2.732 -7.939 5.504) 10.039 4.040 ( -6.691 -6.882 -3.090) 10.084 4.335 ( -1.694 4.679 -0.309) 4.986 4.446 ( 1.076 6.196 0.011) 6.289 5.001 ( 2.791 0.022 -1.072) 2.989 5.048 ( 3.193 -0.892 1.874) 3.808 5.633 ( -0.995 2.090 0.194) 2.323 5.763 ( -0.836 0.205 -1.069) 1.372 5.817 ( 0.266 1.516 0.764) 1.718 5.856 ( 1.234 3.817 2.839) 4.914 8.200 ( 4.891 0.109 2.318) 5.413 8.261 ( -4.689 -1.137 -0.407) 4.842 9.229 ( 2.934 -0.555 3.225) 4.395 9.477 ( -3.228 6.172 -2.093) 7.272 10.923 ( -5.788 -5.573 -3.039) 8.590 11.101 ( 5.450 -5.703 4.047) 8.866 12.156 ( 4.798 -9.249 8.096) 13.195 12.344 ( -14.656 -6.740 -12.813) 20.601 15.284 ( -3.025 2.597 -0.759) 4.058 15.494 ( 0.347 -0.805 0.554) 1.037 16.347 ( 0.444 0.574 -0.285) 0.780 16.769 ( 8.417 0.146 -0.637) 8.442 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.911 -2.452 0.023) 2.616 0.993 ( 0.023 -6.563 0.417) 6.576 1.049 ( -0.014 -2.745 1.772) 3.268 1.098 ( -0.676 -2.269 2.267) 3.277 1.141 ( -3.793 1.304 -2.375) 4.661 1.185 ( -1.548 3.134 3.713) 5.100 1.235 ( 3.497 -3.240 2.107) 5.213 1.384 ( 2.142 -0.109 1.565) 2.655 1.474 ( 0.861 3.971 2.313) 4.675 1.596 ( 1.527 1.432 -4.693) 5.138 1.741 ( -1.112 -5.126 -2.745) 5.920 1.834 ( 3.504 1.864 -2.345) 4.610 1.895 ( -1.378 4.769 -0.628) 5.004 2.038 ( -4.739 2.620 -2.854) 6.121 2.126 ( 4.849 -1.232 4.735) 6.888 2.194 ( -1.451 -1.875 1.441) 2.775 2.476 ( -1.636 -1.888 -1.761) 3.056 2.596 ( 3.862 0.088 1.358) 4.094 2.629 ( 2.643 -2.189 1.423) 3.715 2.677 ( -5.297 -2.215 -5.897) 8.230 2.827 ( -1.686 3.497 2.225) 4.475 2.901 ( -0.861 4.871 -2.047) 5.353 2.979 ( -2.579 -4.548 -2.037) 5.611 3.190 ( 7.033 -3.226 5.887) 9.722 3.542 ( 1.365 0.918 -0.896) 1.873 3.672 ( -0.203 0.042 1.305) 1.322 4.025 ( -8.798 -1.608 -6.054) 10.800 4.149 ( 5.500 -2.581 4.184) 7.377 4.274 ( -0.556 -0.076 1.142) 1.272 4.348 ( 0.129 3.695 0.145) 3.700 5.010 ( 1.353 0.676 -1.453) 2.098 5.091 ( 1.219 -0.797 2.118) 2.571 5.567 ( -1.966 2.856 -2.746) 4.423 5.740 ( 0.413 1.337 -3.192) 3.485 5.816 ( -0.799 -0.975 2.190) 2.527 5.838 ( 1.373 0.663 4.051) 4.328 8.230 ( -2.462 -1.145 0.503) 2.761 8.253 ( 2.965 0.635 1.817) 3.535 9.272 ( 2.060 -0.315 0.242) 2.098 9.358 ( -2.456 2.710 -1.308) 3.884 10.925 ( -6.870 -2.516 -5.564) 9.191 11.274 ( 10.204 -2.315 9.296) 13.996 12.193 ( -11.513 0.533 -9.296) 14.807 12.413 ( 4.805 -5.837 3.873) 8.495 15.227 ( -1.259 0.941 -0.637) 1.696 15.509 ( 0.313 -0.257 0.719) 0.825 16.342 ( -0.070 0.068 -0.266) 0.283 16.821 ( 2.930 0.011 -0.093) 2.932 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -1.250 -0.135 0.806) 1.493 1.009 ( -5.663 4.223 -1.602) 7.244 1.043 ( -1.679 1.210 3.029) 3.669 1.086 ( -1.616 0.730 0.416) 1.822 1.104 ( -0.091 -1.194 1.867) 2.219 1.162 ( -1.083 -0.669 3.136) 3.384 1.304 ( -3.864 3.038 -0.227) 4.921 1.407 ( 4.926 -2.582 -0.526) 5.586 1.490 ( 5.743 -0.410 5.959) 8.286 1.620 ( 3.555 -2.591 -1.341) 4.599 1.742 ( 1.972 6.115 -3.760) 7.444 1.815 ( -2.485 -0.714 -3.620) 4.448 1.840 ( -1.852 -3.450 -1.956) 4.377 1.953 ( -6.274 1.619 -3.556) 7.391 2.198 ( 2.935 -0.979 6.028) 6.776 2.253 ( 2.568 -3.254 2.168) 4.678 2.461 ( -0.987 2.184 -1.297) 2.726 2.631 ( -5.793 -2.313 -3.118) 6.974 2.646 ( 6.424 1.812 2.554) 7.147 2.684 ( 0.215 0.715 -3.039) 3.130 2.755 ( -1.165 0.838 2.091) 2.536 2.816 ( -0.992 1.278 -3.623) 3.968 3.022 ( -2.442 -2.601 -1.351) 3.815 3.324 ( 7.493 -1.229 8.693) 11.542 3.529 ( 2.057 2.121 -1.687) 3.402 3.703 ( -2.494 -4.022 1.819) 5.070 3.891 ( -7.717 4.364 -6.232) 10.836 4.193 ( 5.910 3.024 1.413) 6.788 4.312 ( -1.257 -3.160 2.078) 3.986 4.359 ( -0.124 -4.088 0.358) 4.106 4.993 ( -0.256 1.310 -1.218) 1.807 5.106 ( -1.687 -0.498 1.879) 2.574 5.483 ( -1.070 3.876 -2.951) 4.988 5.706 ( 1.507 2.517 -2.263) 3.705 5.843 ( -1.629 -2.610 0.995) 3.233 5.871 ( 0.613 -2.120 3.584) 4.209 8.213 ( -5.052 -0.928 0.641) 5.177 8.289 ( 5.392 0.552 2.118) 5.819 9.233 ( -3.971 1.947 -0.828) 4.500 9.368 ( 3.384 -2.211 -0.871) 4.135 10.871 ( -4.772 0.955 -4.404) 6.563 11.399 ( 11.809 3.020 11.281) 16.608 12.000 ( -11.323 5.605 -10.484) 16.418 12.554 ( 8.776 -1.428 2.281) 9.179 15.224 ( 0.823 -0.961 -0.682) 1.438 15.510 ( 0.398 0.744 0.713) 1.104 16.342 ( -0.961 -0.651 -0.269) 1.191 16.821 ( -2.466 0.201 -0.112) 2.477 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -7.267 4.934 3.024) 9.290 0.866 ( -3.667 7.009 0.240) 7.914 0.988 ( -3.517 1.230 -0.382) 3.745 1.062 ( 0.804 1.802 1.303) 2.365 1.122 ( 0.455 -1.055 0.811) 1.406 1.161 ( -0.824 0.219 0.593) 1.039 1.238 ( -3.327 -1.275 2.526) 4.367 1.444 ( 2.891 3.230 -2.134) 4.831 1.554 ( 3.037 0.317 2.604) 4.013 1.623 ( -2.598 7.263 -1.529) 7.864 1.706 ( 1.535 -1.120 0.708) 2.028 1.768 ( -0.528 -0.526 3.151) 3.238 1.837 ( -4.266 2.859 -3.823) 6.402 1.936 ( 1.825 -5.559 -6.208) 8.531 2.256 ( 5.235 1.514 7.123) 8.968 2.347 ( -0.464 5.257 -0.129) 5.279 2.359 ( 1.527 -3.659 0.514) 3.998 2.600 ( -6.136 -1.142 -0.999) 6.321 2.652 ( -2.889 -3.421 -5.151) 6.825 2.707 ( 0.614 -0.841 -4.905) 5.014 2.768 ( 2.618 -2.222 4.866) 5.955 2.820 ( 2.746 -0.128 -3.313) 4.305 3.041 ( -0.883 -1.977 -0.054) 2.165 3.381 ( 4.590 5.710 6.285) 9.653 3.509 ( 1.693 -0.269 -3.415) 3.821 3.687 ( -5.860 1.704 -1.959) 6.409 3.820 ( -3.970 -4.308 2.882) 6.529 4.170 ( 6.401 6.134 1.229) 8.951 4.400 ( -1.111 -6.850 1.971) 7.214 4.433 ( -0.909 -4.189 -1.360) 4.497 4.954 ( -1.380 1.724 -0.662) 2.306 5.087 ( -4.813 -0.234 1.468) 5.037 5.394 ( 0.719 4.652 -0.775) 4.771 5.667 ( 1.785 2.747 -1.222) 3.497 5.884 ( -1.824 -3.316 -0.443) 3.810 5.939 ( 0.264 -3.583 2.916) 4.627 8.173 ( -5.181 0.289 1.121) 5.309 8.338 ( 4.320 -0.205 1.842) 4.701 9.164 ( -3.765 1.318 1.851) 4.398 9.465 ( 3.923 -5.034 -2.211) 6.754 10.790 ( -2.134 3.042 -2.094) 4.266 11.429 ( 12.069 9.098 11.807) 19.179 11.735 ( -10.534 8.540 -10.468) 17.131 12.639 ( 12.838 3.277 -1.776) 13.368 15.267 ( 2.226 -2.069 -1.030) 3.209 15.495 ( 0.649 1.388 0.541) 1.625 16.347 ( -1.996 -1.364 -0.306) 2.437 16.769 ( -7.476 0.224 -0.753) 7.517 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -9.792 7.184 4.299) 12.883 0.652 ( -5.123 11.114 2.609) 12.513 0.916 ( -3.232 2.621 -2.043) 4.636 1.100 ( -0.186 -5.037 -1.144) 5.169 1.152 ( 1.436 -1.249 -0.320) 1.930 1.156 ( -0.925 10.714 4.714) 11.741 1.203 ( -0.690 3.016 1.527) 3.450 1.291 ( -3.468 2.818 4.882) 6.619 1.527 ( 0.825 0.910 -4.437) 4.604 1.563 ( 1.937 1.509 1.114) 2.696 1.689 ( 0.076 2.837 0.060) 2.838 1.737 ( -3.535 0.040 -0.823) 3.629 1.839 ( 1.911 -0.308 1.444) 2.416 2.029 ( 3.652 -3.021 -4.403) 6.469 2.207 ( 0.422 5.412 3.688) 6.563 2.282 ( 0.546 3.173 2.550) 4.107 2.473 ( -1.131 -6.961 -3.620) 7.927 2.566 ( 2.482 4.217 -2.035) 5.300 2.682 ( -4.811 -5.215 -6.643) 9.719 2.728 ( -3.472 -5.427 -4.437) 7.822 2.853 ( 0.349 -3.818 -2.184) 4.413 2.878 ( 7.299 -1.917 3.438) 8.292 3.077 ( 0.336 -1.680 0.414) 1.762 3.258 ( -1.727 6.492 -1.954) 6.996 3.511 ( 2.558 3.826 1.991) 5.015 3.640 ( -0.492 0.172 1.245) 1.350 3.879 ( -11.649 -6.892 1.172) 13.586 4.100 ( 5.712 6.010 0.461) 8.304 4.491 ( -0.542 -3.244 -1.998) 3.848 4.536 ( -0.969 -7.539 1.405) 7.730 4.907 ( -1.437 1.622 0.216) 2.178 5.041 ( -6.745 -0.502 1.502) 6.928 5.342 ( 4.887 3.284 6.531) 8.793 5.638 ( 1.898 1.980 0.274) 2.757 5.924 ( -1.734 -2.917 -1.774) 3.829 6.014 ( -0.112 -3.456 1.841) 3.917 8.117 ( -4.682 1.007 1.896) 5.150 8.369 ( 1.405 0.443 0.178) 1.484 9.153 ( -2.101 -2.910 8.787) 9.492 9.618 ( 4.436 -7.934 -3.128) 9.613 10.717 ( -0.184 3.225 -0.030) 3.231 11.320 ( 5.437 14.567 4.520) 16.192 11.484 ( -3.941 7.351 -2.982) 8.858 12.646 ( 17.345 10.563 -9.761) 22.532 15.328 ( 2.689 -2.069 -0.848) 3.497 15.480 ( 1.405 1.232 0.190) 1.878 16.350 ( -3.571 -1.768 -0.630) 4.035 16.668 ( -11.742 0.763 -2.803) 12.096 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -7.100 8.903 5.741) 12.752 0.422 ( -6.797 7.783 9.118) 13.781 0.787 ( -1.312 19.579 16.562) 25.678 0.844 ( -2.076 2.582 -3.740) 4.996 1.174 ( -1.538 -3.592 -2.940) 4.890 1.203 ( 0.951 -1.787 0.214) 2.035 1.260 ( -4.201 0.219 4.369) 6.065 1.269 ( 3.634 -3.918 2.608) 5.946 1.504 ( 0.821 1.966 -4.038) 4.565 1.550 ( 0.330 0.847 -0.398) 0.992 1.650 ( -1.292 0.686 -1.484) 2.084 1.726 ( -0.740 -1.440 0.922) 1.863 1.829 ( 2.070 3.349 1.522) 4.222 2.087 ( 1.279 -0.357 -2.937) 3.223 2.134 ( 0.225 3.250 -0.271) 3.269 2.237 ( -1.343 -0.136 0.567) 1.464 2.445 ( 2.538 9.394 -6.093) 11.481 2.573 ( 1.482 -4.378 -4.396) 6.378 2.702 ( -5.611 -1.970 -8.786) 10.609 2.792 ( -2.486 -5.714 -2.861) 6.857 2.935 ( 2.059 -1.352 4.075) 4.761 2.985 ( 3.487 -2.465 0.013) 4.270 3.110 ( 0.267 -2.256 -0.644) 2.361 3.178 ( -0.745 -1.068 0.853) 1.557 3.430 ( 1.907 7.103 3.284) 8.055 3.649 ( -0.560 -0.534 1.977) 2.123 3.762 ( -14.672 4.346 -6.234) 16.524 4.108 ( -8.277 -5.224 -4.666) 10.843 4.536 ( 0.748 -1.991 -0.801) 2.272 4.641 ( -1.951 -4.456 -0.466) 4.886 4.876 ( -0.218 0.925 1.276) 1.591 4.992 ( -6.851 -0.577 0.835) 6.925 5.499 ( 16.462 -9.382 19.425) 27.135 5.636 ( 3.369 0.447 3.483) 4.867 5.947 ( -1.802 -1.997 -2.682) 3.798 6.061 ( -0.389 -1.080 0.553) 1.274 8.067 ( -3.059 1.024 2.643) 4.170 8.348 ( -1.003 1.293 -2.122) 2.679 9.362 ( -2.338 -21.492 20.428) 29.744 9.813 ( 4.310 -8.553 -2.655) 9.939 10.672 ( 1.080 2.071 1.205) 2.628 11.076 ( -2.943 10.346 -3.087) 11.191 11.367 ( 4.140 6.097 5.063) 8.941 12.400 ( 14.626 33.717 -27.318) 45.793 15.380 ( 1.886 -0.983 0.595) 2.209 15.485 ( 2.855 0.212 -0.361) 2.885 16.330 ( -6.352 -0.730 -1.181) 6.502 16.511 ( -9.558 3.530 -3.469) 10.763 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 8.102 -0.000 9.321) 12.350 0.512 ( 5.313 -0.000 13.702) 14.696 0.831 ( 4.857 -0.000 -3.695) 6.103 0.886 ( 12.021 -0.000 19.379) 22.804 1.063 ( -3.220 0.000 -7.293) 7.972 1.213 ( -2.830 0.000 3.326) 4.367 1.240 ( -6.014 0.000 -0.470) 6.032 1.337 ( 5.757 -0.000 3.694) 6.840 1.462 ( -0.544 0.000 -1.565) 1.657 1.600 ( 2.706 -0.000 2.177) 3.473 1.600 ( -1.801 0.000 -3.762) 4.171 1.698 ( -0.669 0.000 -5.754) 5.793 1.948 ( 5.508 -0.000 10.941) 12.249 1.985 ( -1.823 0.000 -2.021) 2.722 2.077 ( -1.124 0.000 -3.194) 3.386 2.329 ( -4.235 0.000 -9.283) 10.203 2.330 ( 3.363 -0.000 0.396) 3.387 2.361 ( -2.351 0.000 -3.377) 4.115 2.723 ( 3.262 -0.000 -0.430) 3.290 2.733 ( -3.296 0.000 -3.291) 4.658 2.999 ( 0.127 -0.000 1.131) 1.138 3.033 ( 3.454 -0.000 2.554) 4.295 3.203 ( 3.030 -0.000 3.483) 4.616 3.225 ( -3.182 0.000 -1.810) 3.661 3.431 ( 5.882 -0.000 4.657) 7.502 3.513 ( 6.239 -0.000 -4.177) 7.508 3.686 ( -1.706 0.000 4.553) 4.862 3.746 ( -13.820 0.000 -0.720) 13.839 4.567 ( -4.601 0.000 -2.901) 5.440 4.618 ( 2.986 -0.000 1.208) 3.221 4.959 ( 4.899 -0.000 3.232) 5.869 4.981 ( 4.250 -0.000 -1.121) 4.395 5.678 ( 1.197 -0.000 3.398) 3.602 5.896 ( -0.739 0.000 -5.409) 5.459 5.919 ( -6.458 0.000 -1.545) 6.640 6.277 ( 4.388 -0.000 -2.386) 4.995 8.120 ( 6.361 -0.000 3.159) 7.102 8.295 ( -3.645 0.000 -0.995) 3.778 9.392 ( -20.743 0.000 14.693) 25.419 9.862 ( -3.197 0.000 1.900) 3.719 10.732 ( 1.881 -0.000 4.553) 4.926 10.787 ( -8.150 0.000 -4.053) 9.103 11.526 ( 5.355 -0.000 4.602) 7.061 11.543 ( -3.279 0.000 -3.142) 4.542 15.399 ( -2.235 0.000 0.852) 2.392 15.493 ( 0.208 -0.000 -2.122) 2.132 16.397 ( 2.359 -0.000 -1.275) 2.681 16.805 ( 20.679 -0.000 -13.917) 24.926 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 4.244 -0.819 10.493) 11.349 0.637 ( 10.960 -3.172 6.543) 13.153 0.859 ( 3.887 -0.533 -1.919) 4.368 0.947 ( -3.440 3.845 -8.066) 9.575 1.170 ( 0.233 -3.624 6.002) 7.015 1.215 ( -0.856 -3.807 6.431) 7.522 1.247 ( 0.803 -6.376 0.089) 6.427 1.417 ( 8.592 -1.376 8.371) 12.075 1.454 ( 0.395 -0.758 -2.238) 2.396 1.522 ( -1.530 3.270 -2.203) 4.230 1.647 ( -0.815 -1.632 0.275) 1.845 1.699 ( 1.388 -0.497 -5.481) 5.676 1.965 ( -3.054 -0.556 -0.488) 3.142 2.052 ( 5.163 -1.982 8.302) 9.975 2.088 ( 0.450 -2.271 -0.803) 2.451 2.221 ( -6.434 0.347 -7.075) 9.569 2.372 ( 0.180 -1.603 -2.640) 3.093 2.437 ( 1.569 -5.358 -3.678) 6.686 2.651 ( -0.394 4.841 -3.745) 6.133 2.718 ( 3.010 2.905 -1.066) 4.317 2.997 ( -0.744 1.687 0.648) 1.954 3.071 ( 0.953 2.910 2.539) 3.978 3.087 ( -1.428 4.196 -1.901) 4.823 3.166 ( 1.075 6.262 1.474) 6.522 3.579 ( 4.185 -3.926 -2.391) 6.216 3.592 ( 6.351 -4.571 1.110) 7.903 3.686 ( -6.970 -3.316 1.163) 7.806 3.723 ( -4.277 -6.986 2.417) 8.540 4.492 ( -4.489 2.565 -2.448) 5.721 4.625 ( 2.930 2.674 1.262) 4.162 5.006 ( 4.608 0.451 1.038) 4.745 5.029 ( 4.779 -0.447 0.893) 4.882 5.691 ( 0.674 0.587 2.394) 2.555 5.823 ( -4.740 2.572 -2.179) 5.816 5.871 ( -1.350 0.726 -4.167) 4.440 6.157 ( 2.608 11.532 4.467) 12.639 8.192 ( 4.577 0.441 2.021) 5.023 8.245 ( -2.547 -0.072 2.152) 3.335 9.248 ( -3.661 2.491 9.305) 10.305 9.763 ( -6.110 6.434 0.122) 8.874 10.718 ( -6.669 -3.177 -2.210) 7.710 10.850 ( 2.428 -6.712 3.870) 8.120 11.704 ( 5.907 -11.112 5.734) 13.829 11.749 ( -13.869 -21.715 -10.827) 27.949 15.368 ( -3.742 0.557 -0.554) 3.824 15.472 ( -0.614 1.070 -1.663) 2.071 16.415 ( 5.005 1.689 -0.265) 5.289 16.870 ( 13.347 4.744 -8.057) 16.296 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 3.541 -7.635 4.722) 9.650 0.772 ( 5.212 0.345 -0.465) 5.244 0.902 ( 4.738 -3.950 -0.864) 6.229 0.927 ( 2.003 -3.029 -1.931) 4.113 1.135 ( -4.027 1.106 1.371) 4.395 1.240 ( -3.099 -0.851 0.997) 3.365 1.334 ( -0.165 1.676 2.685) 3.170 1.445 ( 1.612 2.170 0.786) 2.815 1.505 ( 2.272 -2.095 0.502) 3.131 1.609 ( 1.881 -3.647 1.598) 4.404 1.667 ( -0.194 -1.215 -0.135) 1.238 1.718 ( 5.437 -2.495 -2.768) 6.591 1.934 ( -4.717 -0.429 -0.756) 4.797 2.111 ( -3.222 0.178 -3.256) 4.585 2.138 ( 4.861 0.019 6.710) 8.286 2.223 ( -1.368 -6.207 1.917) 6.638 2.375 ( 1.501 1.713 -0.605) 2.357 2.518 ( -0.818 -2.433 -3.995) 4.748 2.572 ( 0.664 0.213 -3.993) 4.054 2.692 ( 3.123 2.451 -1.830) 4.372 2.847 ( -5.581 6.180 -3.775) 9.143 3.012 ( 0.996 2.534 2.133) 3.459 3.044 ( -2.093 3.415 -0.331) 4.019 3.128 ( 4.091 0.092 2.549) 4.821 3.595 ( 1.740 1.583 -1.920) 3.036 3.681 ( -1.147 -0.945 0.061) 1.488 3.773 ( -4.054 -9.515 -2.528) 10.647 3.898 ( 4.353 -9.090 6.095) 11.778 4.388 ( -3.550 3.662 -1.559) 5.333 4.575 ( 2.083 5.592 0.703) 6.009 5.035 ( 3.622 0.658 -0.869) 3.783 5.076 ( 3.248 -0.012 2.265) 3.960 5.662 ( -1.618 2.227 -2.186) 3.515 5.760 ( -1.360 0.772 0.279) 1.589 5.831 ( -0.781 1.266 -3.103) 3.441 6.008 ( 2.394 8.135 6.472) 10.668 8.168 ( -6.091 -1.119 1.292) 6.326 8.301 ( 8.718 0.939 2.914) 9.240 9.252 ( 2.152 -0.467 3.556) 4.183 9.559 ( -6.748 7.558 -1.666) 10.268 10.736 ( -6.893 -5.933 -3.543) 9.761 11.051 ( 6.837 -8.339 7.249) 12.993 11.926 ( -16.724 -15.686 -12.998) 26.357 12.004 ( 3.512 -13.677 6.399) 15.503 15.304 ( -3.086 2.282 -1.474) 4.111 15.453 ( -2.607 -1.018 -0.304) 2.815 16.423 ( 6.240 3.085 0.375) 6.971 16.880 ( 8.489 3.415 -3.099) 9.661 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 3.736 -1.422 -0.964) 4.112 0.855 ( 2.308 -8.569 2.189) 9.140 0.997 ( 1.704 -3.315 -1.350) 3.964 1.055 ( 3.435 -3.689 1.945) 5.403 1.098 ( -2.552 -1.419 -1.123) 3.128 1.212 ( -2.901 1.220 2.201) 3.840 1.268 ( -0.969 3.282 3.490) 4.888 1.433 ( 2.604 2.462 1.737) 3.982 1.553 ( 3.517 1.200 2.859) 4.688 1.633 ( 0.628 -0.408 -4.743) 4.802 1.642 ( -1.694 -0.463 -1.437) 2.269 1.835 ( 1.833 -2.839 0.062) 3.380 1.910 ( -2.233 -1.115 -2.392) 3.457 2.046 ( -6.309 1.298 -4.702) 7.975 2.181 ( 3.928 0.779 4.813) 6.262 2.235 ( 2.986 6.835 2.835) 7.980 2.400 ( -1.276 -4.374 1.526) 4.805 2.558 ( -3.658 -2.474 -3.204) 5.456 2.587 ( -0.294 -2.108 -0.434) 2.172 2.661 ( 3.373 1.246 0.132) 3.599 2.769 ( -3.866 -3.212 -5.461) 7.422 2.974 ( -0.172 2.791 -1.115) 3.010 2.976 ( 0.549 2.958 1.822) 3.518 3.210 ( 6.485 -2.852 4.703) 8.504 3.572 ( 0.079 0.990 -1.005) 1.413 3.675 ( -1.147 0.399 -0.381) 1.273 3.863 ( -5.625 -5.621 -3.800) 8.814 4.116 ( 5.997 -6.769 5.270) 10.468 4.298 ( -1.984 2.497 -0.940) 3.325 4.465 ( 0.844 7.353 0.026) 7.401 5.042 ( 2.273 1.258 -1.407) 2.954 5.099 ( 0.607 0.138 2.375) 2.455 5.597 ( -0.921 2.279 -3.523) 4.296 5.740 ( -0.628 0.420 -2.303) 2.423 5.805 ( -0.257 0.498 0.224) 0.604 5.927 ( 1.907 4.677 5.781) 7.677 8.149 ( -5.527 -2.146 1.838) 6.207 8.355 ( 8.453 2.531 1.636) 8.975 9.283 ( 0.517 0.152 0.039) 0.541 9.388 ( -4.005 3.834 -1.155) 5.664 10.778 ( -5.523 -5.386 -3.619) 8.521 11.304 ( 10.096 -7.396 9.935) 15.979 11.965 ( -15.406 -8.382 -12.498) 21.536 12.286 ( 2.508 -11.850 4.687) 12.987 15.240 ( -1.081 1.712 -1.012) 2.264 15.456 ( -4.049 -2.547 0.240) 4.789 16.418 ( 6.439 3.835 0.358) 7.503 16.875 ( 3.385 2.743 -1.095) 4.493 ======================= Grid point 99 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 3.999 -0.015 -1.094) 4.146 0.996 ( -1.096 -1.154 3.047) 3.437 1.050 ( -0.880 -2.353 1.423) 2.887 1.076 ( -0.287 -0.787 -0.456) 0.954 1.093 ( -1.711 1.189 4.453) 4.916 1.153 ( -2.742 1.665 -0.390) 3.232 1.287 ( 0.308 -1.571 2.568) 3.026 1.430 ( 3.577 -0.369 -0.315) 3.610 1.548 ( 3.073 1.495 0.204) 3.423 1.637 ( 4.538 0.330 1.220) 4.711 1.688 ( -3.069 -5.244 -2.463) 6.556 1.840 ( -1.777 1.489 0.020) 2.318 1.890 ( 0.647 8.297 -5.727) 10.102 1.904 ( -4.975 0.050 -3.332) 5.988 2.196 ( 0.253 -0.460 4.058) 4.091 2.230 ( 2.819 -2.152 3.261) 4.818 2.444 ( -1.256 -0.686 -0.284) 1.459 2.507 ( -6.811 -3.035 -2.194) 7.773 2.665 ( 0.801 -2.617 0.133) 2.740 2.718 ( 4.470 -1.164 1.745) 4.937 2.769 ( -2.688 -0.790 -4.404) 5.220 2.888 ( 0.909 6.334 -0.515) 6.420 2.964 ( 0.426 -0.809 -0.094) 0.919 3.358 ( 6.589 -3.726 5.923) 9.612 3.570 ( -0.441 -1.403 -0.734) 1.643 3.646 ( -0.950 1.432 0.745) 1.873 3.849 ( -6.175 0.024 -4.659) 7.736 4.262 ( 3.785 -0.542 -1.021) 3.957 4.272 ( 0.676 -2.496 3.302) 4.195 4.350 ( 0.019 4.112 0.258) 4.120 5.023 ( 0.891 1.903 -1.151) 2.396 5.093 ( -2.192 0.386 1.797) 2.860 5.544 ( 1.096 2.883 -2.055) 3.706 5.726 ( -0.155 -0.167 -3.443) 3.450 5.803 ( -0.802 -0.407 1.031) 1.368 5.891 ( 1.128 2.119 4.381) 4.996 8.147 ( -4.427 -1.818 2.146) 5.244 8.377 ( 6.590 2.639 0.217) 7.102 9.226 ( -4.935 1.765 -0.506) 5.265 9.367 ( 2.326 -0.644 -0.858) 2.562 10.807 ( -3.089 -2.759 -2.351) 4.762 11.537 ( 11.829 -3.204 11.501) 16.806 11.894 ( -13.523 -1.820 -11.905) 18.108 12.512 ( 3.170 -8.856 1.561) 9.535 15.223 ( 1.223 -0.057 -0.591) 1.359 15.467 ( -4.631 -2.721 0.499) 5.394 16.404 ( 6.107 3.935 0.147) 7.266 16.829 ( -1.827 2.868 -0.349) 3.419 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.302 6.731 3.157) 7.440 0.905 ( -2.913 2.340 -0.616) 3.787 0.999 ( -3.320 3.459 1.328) 4.975 1.094 ( 0.281 -0.663 0.377) 0.813 1.116 ( 0.762 -0.993 2.503) 2.799 1.168 ( 0.098 -1.312 3.325) 3.576 1.243 ( -3.087 4.277 1.082) 5.384 1.475 ( 2.854 -0.947 -3.157) 4.360 1.589 ( 2.382 -0.009 1.087) 2.619 1.664 ( -1.503 -0.029 -2.128) 2.605 1.745 ( 0.663 3.141 -0.262) 3.221 1.772 ( 1.027 0.185 -3.126) 3.295 1.801 ( -0.368 -5.468 0.256) 5.487 1.850 ( -2.286 2.445 -1.085) 3.519 2.236 ( -2.259 -3.719 -0.253) 4.359 2.326 ( 4.611 -2.898 3.732) 6.602 2.442 ( -1.477 -1.268 -0.866) 2.131 2.492 ( -4.942 0.545 0.587) 5.007 2.673 ( -0.659 3.092 -4.273) 5.316 2.692 ( -1.556 2.160 -2.416) 3.595 2.769 ( 2.327 1.695 4.939) 5.717 2.850 ( 4.373 -2.000 -1.243) 4.966 2.992 ( -0.187 -1.914 -1.693) 2.562 3.478 ( 4.840 -2.556 4.226) 6.915 3.546 ( -4.009 4.181 -5.070) 7.698 3.620 ( -2.898 -0.431 1.860) 3.470 3.784 ( -0.726 0.783 1.384) 1.748 4.289 ( 2.483 -0.320 -0.272) 2.518 4.302 ( 0.491 -0.799 0.804) 1.235 4.357 ( -0.176 -2.637 -0.075) 2.644 4.985 ( 0.040 2.358 -0.573) 2.427 5.055 ( -4.016 0.778 0.986) 4.207 5.496 ( 2.782 3.965 1.231) 4.998 5.718 ( 0.995 1.026 -2.589) 2.958 5.813 ( -1.568 -1.945 -0.107) 2.501 5.896 ( -0.095 -1.234 2.649) 2.924 8.138 ( -3.510 -0.453 2.199) 4.166 8.388 ( 4.094 1.334 -0.993) 4.419 9.160 ( -3.463 1.220 1.891) 4.130 9.416 ( 2.327 -2.780 -1.916) 4.100 10.809 ( -0.376 0.455 -0.147) 0.608 11.683 ( 10.765 2.499 10.629) 15.333 11.726 ( -10.797 4.290 -9.919) 15.276 12.681 ( 4.281 -5.617 -2.618) 7.532 15.258 ( 3.137 -1.448 -0.507) 3.492 15.471 ( -4.451 -2.084 0.500) 4.941 16.389 ( 5.604 3.516 0.044) 6.616 16.735 ( -6.283 3.001 -0.144) 6.964 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -4.858 9.335 6.101) 12.164 0.818 ( -1.465 7.687 0.420) 7.836 0.937 ( -0.889 2.108 -2.174) 3.156 1.047 ( -2.818 3.304 -1.464) 4.583 1.147 ( 1.320 -0.512 0.112) 1.420 1.171 ( 2.322 -2.595 2.027) 4.030 1.218 ( -1.838 -0.804 5.700) 6.043 1.502 ( 2.026 -0.099 -3.810) 4.316 1.511 ( -1.119 8.341 -0.809) 8.454 1.644 ( -1.441 4.489 1.131) 4.849 1.663 ( -1.329 -0.572 -0.458) 1.518 1.764 ( -1.729 3.128 -0.978) 3.705 1.829 ( 2.841 -2.888 2.877) 4.969 1.968 ( 3.870 -6.434 -2.133) 7.805 2.276 ( -5.434 -3.209 -4.069) 7.508 2.377 ( 1.625 5.349 3.979) 6.862 2.389 ( 2.253 4.403 4.074) 6.408 2.486 ( -3.458 -7.513 -4.404) 9.370 2.618 ( -0.285 -0.238 -2.824) 2.848 2.652 ( 0.314 0.060 -2.118) 2.142 2.808 ( 0.093 -1.421 0.277) 1.451 2.922 ( 5.989 -1.100 -1.419) 6.252 3.035 ( 0.065 -3.185 -0.575) 3.237 3.349 ( -5.878 7.722 -7.811) 12.457 3.568 ( 3.432 -1.441 1.790) 4.130 3.612 ( -4.897 -1.565 3.462) 6.198 3.774 ( -0.105 2.262 5.524) 5.971 4.253 ( 1.580 5.606 -1.674) 6.060 4.385 ( -1.292 -7.041 1.161) 7.252 4.418 ( 0.192 -4.038 -1.066) 4.180 4.940 ( 0.137 2.349 0.258) 2.367 5.003 ( -3.638 0.931 0.322) 3.769 5.468 ( 4.949 3.223 6.463) 8.755 5.694 ( 1.641 2.065 -0.230) 2.648 5.845 ( -1.486 -3.170 -2.200) 4.135 5.941 ( -1.393 -3.472 0.897) 3.847 8.111 ( -2.298 0.896 2.450) 3.477 8.391 ( 0.999 0.815 -2.254) 2.596 9.132 ( -1.492 0.030 5.629) 5.824 9.510 ( 2.176 -5.851 -2.623) 6.771 10.785 ( 1.669 2.945 1.995) 3.929 11.471 ( -11.153 8.139 -10.848) 17.558 11.718 ( 11.333 8.606 12.364) 18.851 12.776 ( 3.415 -1.662 -9.108) 9.868 15.323 ( 3.926 -1.810 -0.021) 4.323 15.468 ( -3.340 -1.576 0.070) 3.694 16.378 ( 5.122 3.050 0.328) 5.971 16.608 ( -8.346 2.948 -0.719) 8.881 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -1.760 8.680 8.272) 12.119 0.599 ( -2.175 12.731 2.771) 13.209 0.866 ( -0.372 3.042 -3.108) 4.365 1.029 ( -3.579 -3.953 -6.007) 8.032 1.186 ( 1.146 1.408 3.849) 4.255 1.207 ( 2.301 4.821 5.664) 7.786 1.256 ( 2.985 -2.091 2.421) 4.376 1.289 ( 0.529 9.798 7.861) 12.573 1.501 ( -0.471 -0.036 -4.202) 4.228 1.578 ( -2.884 1.583 -2.421) 4.085 1.650 ( 0.481 0.737 -1.117) 1.422 1.715 ( -0.179 0.688 -1.299) 1.481 1.899 ( 2.826 -0.018 5.080) 5.813 2.069 ( 2.261 -2.027 -3.319) 4.498 2.190 ( -3.599 3.822 0.315) 5.259 2.269 ( -1.183 4.726 1.765) 5.181 2.461 ( 0.293 -6.225 -3.253) 7.030 2.563 ( -2.129 -1.747 -3.566) 4.506 2.633 ( 2.277 -0.667 -6.166) 6.606 2.652 ( -0.280 -0.893 -5.696) 5.772 2.858 ( 1.637 -5.420 0.441) 5.679 2.995 ( 2.576 -1.770 0.674) 3.197 3.089 ( 0.394 -2.091 -0.398) 2.164 3.171 ( -4.186 3.358 -6.033) 8.074 3.576 ( 0.486 3.751 3.249) 4.986 3.587 ( -6.001 -0.043 1.619) 6.216 3.730 ( -0.589 2.897 5.541) 6.281 4.118 ( -3.646 6.956 -2.151) 8.143 4.495 ( 1.443 -3.587 -0.270) 3.876 4.510 ( -2.094 -6.909 -0.202) 7.223 4.910 ( 1.381 1.651 1.301) 2.515 4.964 ( -1.089 0.757 -0.117) 1.332 5.539 ( 8.095 -2.728 11.992) 14.723 5.686 ( 2.870 0.769 3.824) 4.843 5.882 ( -1.102 -2.727 -3.817) 4.819 5.993 ( -2.477 -3.891 -0.647) 4.657 8.083 ( -0.229 1.370 2.989) 3.296 8.359 ( -1.518 1.439 -3.019) 3.673 9.173 ( -1.664 -4.101 11.082) 11.933 9.661 ( 1.702 -8.981 -2.741) 9.543 10.748 ( 2.781 3.688 3.344) 5.702 11.179 ( -9.876 9.410 -8.731) 16.196 11.649 ( 9.790 12.012 10.991) 18.998 12.702 ( -4.786 7.902 -20.593) 22.570 15.383 ( 1.883 -1.147 1.176) 2.499 15.476 ( -1.007 -1.520 -0.753) 1.972 16.368 ( 2.936 2.343 1.620) 4.091 16.500 ( -0.526 2.157 -2.369) 3.247 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 8.340 -0.000 7.685) 11.341 0.667 ( 4.958 -0.000 9.618) 10.820 0.896 ( 1.544 -0.000 -3.150) 3.508 0.954 ( -2.096 0.000 -6.350) 6.687 1.146 ( -1.666 0.000 -0.091) 1.669 1.172 ( 6.453 -0.000 7.621) 9.986 1.199 ( -0.404 0.000 3.948) 3.968 1.449 ( 0.019 -0.000 -1.832) 1.832 1.512 ( -4.123 0.000 -4.203) 5.887 1.514 ( 10.211 -0.000 7.359) 12.587 1.633 ( -0.185 0.000 1.991) 2.000 1.680 ( 0.215 -0.000 -3.782) 3.789 1.940 ( -1.639 0.000 -3.214) 3.608 2.055 ( 1.372 -0.000 2.019) 2.441 2.117 ( -8.526 0.000 -8.711) 12.189 2.136 ( 7.920 -0.000 8.356) 11.513 2.371 ( 0.914 -0.000 -0.942) 1.312 2.411 ( 4.305 -0.000 -2.375) 4.916 2.693 ( 0.080 -0.000 -3.142) 3.144 2.767 ( 1.508 -0.000 0.332) 1.544 3.006 ( 0.342 -0.000 0.290) 0.448 3.094 ( 2.191 -0.000 0.867) 2.357 3.151 ( -3.620 0.000 -2.585) 4.448 3.275 ( 2.193 -0.000 2.775) 3.537 3.406 ( -13.545 0.000 -4.638) 14.317 3.604 ( 9.752 -0.000 5.823) 11.358 3.656 ( -3.159 0.000 2.644) 4.119 3.674 ( 5.322 -0.000 -4.434) 6.927 4.463 ( -4.975 0.000 -2.227) 5.451 4.684 ( 3.218 -0.000 1.456) 3.532 5.062 ( 4.769 -0.000 -1.633) 5.040 5.067 ( 4.003 -0.000 3.739) 5.478 5.703 ( -0.662 0.000 -0.552) 0.862 5.796 ( -4.522 0.000 1.330) 4.713 5.853 ( -0.707 0.000 -6.579) 6.616 6.289 ( -1.507 0.000 1.163) 1.904 8.176 ( -8.834 0.000 3.958) 9.681 8.305 ( 11.637 -0.000 2.607) 11.926 9.259 ( -2.547 0.000 7.681) 8.092 9.749 ( -10.069 0.000 1.861) 10.239 10.620 ( -7.578 0.000 -2.958) 8.135 10.783 ( 0.787 -0.000 5.072) 5.133 11.461 ( -3.183 0.000 -4.060) 5.159 11.654 ( 5.753 -0.000 2.728) 6.367 15.327 ( -4.836 0.000 -0.968) 4.932 15.479 ( -0.395 0.000 -3.181) 3.206 16.489 ( 6.834 -0.000 1.232) 6.944 16.997 ( 8.712 -0.000 -9.959) 13.232 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 6.139 1.319 8.593) 10.642 0.810 ( 2.575 -0.630 -0.444) 2.688 0.880 ( 2.144 -1.881 -1.816) 3.382 0.909 ( 1.743 -0.528 -1.983) 2.693 1.136 ( -3.988 1.757 3.438) 5.551 1.196 ( 1.298 -1.455 0.431) 1.997 1.327 ( 1.372 -3.940 3.937) 5.736 1.460 ( 1.770 -1.979 -0.234) 2.666 1.474 ( -1.289 -0.969 -2.692) 3.138 1.614 ( 3.263 0.906 2.663) 4.308 1.639 ( 0.475 -1.678 2.195) 2.803 1.706 ( 2.923 -2.706 -2.353) 4.626 1.903 ( -2.794 1.024 -2.802) 4.087 2.037 ( -6.420 -0.942 -6.720) 9.341 2.121 ( 2.533 -4.016 3.710) 6.025 2.238 ( 9.341 0.443 8.445) 12.600 2.371 ( -0.567 -0.852 -1.411) 1.744 2.469 ( 3.211 -2.220 -3.074) 4.969 2.635 ( 0.071 4.790 -3.012) 5.659 2.758 ( 1.702 2.188 -0.076) 2.773 2.969 ( -1.787 7.967 -0.648) 8.191 3.035 ( -2.618 2.265 -2.312) 4.163 3.097 ( -0.885 2.980 0.333) 3.126 3.172 ( -0.444 2.172 1.472) 2.661 3.457 ( -7.854 -9.206 -2.093) 12.281 3.662 ( -0.481 -1.833 0.431) 1.944 3.699 ( 3.981 0.402 -3.932) 5.610 3.799 ( 8.377 -8.189 5.838) 13.089 4.396 ( -4.584 1.791 -1.311) 5.093 4.685 ( 2.620 3.364 1.083) 4.399 5.085 ( 3.648 1.074 -0.251) 3.811 5.110 ( 2.508 0.014 1.957) 3.181 5.664 ( -2.678 1.189 -5.497) 6.229 5.772 ( -0.607 1.027 3.621) 3.813 5.829 ( -0.663 0.117 -4.664) 4.712 6.191 ( -0.711 7.719 3.862) 8.661 8.101 ( -7.694 0.076 4.859) 9.100 8.424 ( 12.632 0.677 2.298) 12.857 9.271 ( 1.762 -0.284 3.515) 3.942 9.595 ( -11.730 5.078 -0.359) 12.787 10.580 ( -6.041 -3.523 -1.956) 7.262 10.922 ( 1.318 -11.207 5.118) 12.391 11.516 ( -6.641 -9.597 -6.475) 13.347 11.815 ( 3.681 -10.369 2.842) 11.364 15.282 ( -4.295 -0.117 -1.330) 4.498 15.444 ( -1.178 1.811 -2.374) 3.210 16.541 ( 7.061 1.955 2.104) 7.623 17.008 ( 6.360 3.331 -6.299) 9.551 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.261 -4.083 4.797) 7.605 0.806 ( 2.654 -1.760 -1.749) 3.633 0.956 ( 1.553 -2.827 -1.374) 3.506 1.013 ( 2.015 -5.046 1.964) 5.778 1.074 ( -0.992 1.635 0.309) 1.937 1.218 ( -0.246 0.333 2.749) 2.780 1.319 ( -1.329 2.389 2.041) 3.411 1.487 ( 1.318 -0.934 -0.414) 1.668 1.574 ( 2.521 -1.757 3.310) 4.516 1.596 ( 0.263 0.014 0.873) 0.912 1.667 ( 1.516 -0.343 -4.421) 4.686 1.784 ( -0.251 -2.529 -2.410) 3.503 1.848 ( -3.624 -0.607 -0.823) 3.766 1.990 ( -3.989 -0.497 -4.113) 5.751 2.223 ( 0.303 -2.865 4.129) 5.035 2.308 ( 4.685 0.502 2.616) 5.389 2.415 ( 3.236 0.905 2.342) 4.096 2.498 ( 0.518 -0.320 -2.257) 2.338 2.559 ( -0.425 0.446 -2.854) 2.920 2.734 ( 1.610 1.601 -0.427) 2.310 2.752 ( -2.569 8.818 -0.970) 9.236 2.988 ( -1.656 0.536 -2.305) 2.889 3.034 ( -0.136 2.351 1.366) 2.723 3.216 ( 3.311 -2.723 2.774) 5.106 3.505 ( -7.063 -4.188 -2.385) 8.551 3.691 ( 3.499 0.499 -1.664) 3.907 3.738 ( -1.105 -3.744 -1.480) 4.175 4.046 ( 6.729 -8.536 4.258) 11.674 4.314 ( -3.597 2.440 -0.289) 4.356 4.611 ( 1.326 6.674 0.281) 6.810 5.090 ( 2.687 1.502 -0.368) 3.101 5.118 ( 0.143 0.947 1.543) 1.816 5.609 ( -0.868 1.131 -5.498) 5.680 5.745 ( -0.756 1.302 -2.501) 2.919 5.820 ( 0.351 0.455 1.234) 1.361 6.061 ( 0.232 6.766 5.206) 8.540 8.068 ( -5.543 -1.698 4.552) 7.371 8.507 ( 11.475 3.303 1.054) 11.988 9.288 ( -1.571 0.973 -0.137) 1.853 9.406 ( -6.338 3.211 -1.023) 7.178 10.621 ( -3.897 -5.875 -1.057) 7.129 11.209 ( 4.627 -14.225 6.875) 16.463 11.609 ( -9.890 -10.128 -8.920) 16.732 12.071 ( 1.051 -13.211 2.621) 13.510 15.248 ( -1.962 0.267 -1.057) 2.245 15.395 ( -2.761 0.609 -0.902) 2.968 16.559 ( 6.823 3.447 1.912) 7.880 16.971 ( 3.403 4.313 -3.348) 6.434 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 4.013 -1.431 1.460) 4.503 0.910 ( 2.478 -7.362 3.030) 8.338 1.012 ( -1.353 -2.332 0.023) 2.696 1.052 ( 1.438 -1.898 -0.914) 2.551 1.103 ( -0.277 -0.431 3.007) 3.051 1.179 ( -1.734 3.223 2.092) 4.215 1.300 ( 1.712 0.469 3.037) 3.518 1.480 ( 1.849 3.737 -0.033) 4.169 1.574 ( -3.206 -3.176 -1.080) 4.641 1.597 ( 0.811 2.282 -3.528) 4.280 1.697 ( 4.806 0.425 2.459) 5.415 1.785 ( -5.854 -2.787 -2.186) 6.842 1.872 ( -0.554 -1.597 -0.441) 1.747 1.962 ( 0.328 0.583 -3.785) 3.843 2.236 ( -1.612 1.980 -1.108) 2.783 2.299 ( 2.954 6.844 4.458) 8.686 2.380 ( -2.235 -4.241 -0.995) 4.896 2.459 ( -2.284 3.981 1.173) 4.737 2.597 ( -0.361 -3.896 -1.735) 4.281 2.692 ( 0.033 -2.487 -2.793) 3.740 2.746 ( 2.706 -0.351 2.444) 3.663 2.965 ( 0.586 1.943 -2.174) 2.974 3.000 ( 0.808 1.946 1.911) 2.845 3.337 ( 3.826 -5.462 3.310) 7.445 3.492 ( -5.126 -1.707 -2.696) 6.039 3.700 ( 2.897 1.671 -0.273) 3.356 3.779 ( -2.131 -2.364 -1.085) 3.362 4.233 ( 1.115 -4.696 -2.599) 5.482 4.262 ( 1.135 -0.264 4.611) 4.756 4.477 ( 0.396 8.016 0.007) 8.026 5.074 ( 1.926 2.370 -0.588) 3.110 5.091 ( -2.140 1.216 1.270) 2.770 5.583 ( 1.327 0.707 -3.855) 4.138 5.709 ( -1.129 0.390 -4.025) 4.199 5.814 ( 0.360 1.117 2.401) 2.672 5.973 ( 0.169 4.449 4.522) 6.346 8.077 ( -3.621 -2.385 4.064) 5.942 8.513 ( 7.386 5.190 -1.356) 9.129 9.203 ( -6.080 1.350 -0.146) 6.230 9.377 ( 1.292 -0.019 -1.043) 1.661 10.706 ( -1.068 -5.548 0.329) 5.659 11.534 ( 5.290 -12.446 6.323) 14.929 11.650 ( -8.014 -5.842 -7.758) 12.591 12.321 ( -0.299 -12.650 0.661) 12.671 15.237 ( 1.201 0.090 -0.564) 1.330 15.371 ( -4.580 -1.740 -0.066) 4.900 16.553 ( 6.498 4.282 1.443) 7.915 16.890 ( -0.567 5.113 -1.859) 5.470 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 2.567 0.606 0.760) 2.745 1.014 ( 1.478 3.939 2.632) 4.963 1.041 ( -1.373 1.314 5.528) 5.846 1.070 ( -1.504 1.408 -0.406) 2.100 1.097 ( -0.163 -1.646 3.924) 4.258 1.130 ( 1.222 -2.652 2.063) 3.575 1.278 ( -1.880 2.163 0.055) 2.867 1.489 ( 2.186 -0.058 -2.276) 3.156 1.573 ( 0.450 -3.233 -4.550) 5.600 1.606 ( -3.354 -2.616 -0.685) 4.308 1.679 ( -2.919 1.037 -4.633) 5.573 1.810 ( 1.298 -1.192 4.320) 4.665 1.856 ( 2.454 4.122 -0.156) 4.799 1.913 ( 2.205 4.800 -1.982) 5.642 2.154 ( -4.453 -0.696 -1.279) 4.685 2.327 ( 4.661 -1.587 2.996) 5.764 2.364 ( -4.384 -1.404 -0.316) 4.614 2.480 ( 0.582 -2.311 4.231) 4.856 2.629 ( -2.400 -2.132 -5.145) 6.064 2.716 ( -0.318 -0.188 -2.206) 2.237 2.815 ( 3.430 -2.967 3.260) 5.585 2.905 ( 0.949 5.147 -1.732) 5.513 2.981 ( 0.958 1.030 1.320) 1.929 3.442 ( -7.104 -3.833 -4.461) 9.223 3.490 ( 3.966 -1.150 2.024) 4.599 3.665 ( -1.862 2.929 -0.878) 3.580 3.809 ( 3.720 -0.901 3.975) 5.518 4.253 ( -1.182 -2.502 -0.976) 2.934 4.330 ( 0.934 1.402 -0.191) 1.695 4.361 ( 1.020 2.355 1.068) 2.780 5.035 ( 0.146 2.634 -0.332) 2.659 5.047 ( -1.869 1.528 0.618) 2.492 5.579 ( 2.779 1.487 -0.340) 3.170 5.697 ( -0.976 -1.355 -3.961) 4.299 5.799 ( -0.297 0.930 1.420) 1.723 5.917 ( -0.470 2.545 3.107) 4.044 8.099 ( -2.122 -1.636 3.378) 4.311 8.463 ( 2.659 4.008 -3.022) 5.680 9.153 ( -2.276 0.425 2.135) 3.149 9.393 ( 1.049 -1.033 -1.910) 2.411 10.796 ( 1.908 -3.019 2.422) 4.315 11.587 ( -12.729 -2.811 -12.191) 17.848 11.817 ( 11.729 -3.958 11.484) 16.886 12.531 ( -0.985 -10.627 -2.707) 11.011 15.267 ( 3.623 -0.930 -0.294) 3.752 15.370 ( -5.339 -2.971 0.089) 6.111 16.531 ( 5.700 4.440 1.285) 7.339 16.765 ( -3.689 5.561 -1.168) 6.775 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -1.971 9.954 5.113) 11.363 0.925 ( 1.422 5.272 2.539) 6.022 0.974 ( 2.173 2.101 -1.341) 3.307 1.089 ( -1.129 -0.592 2.008) 2.379 1.135 ( -0.946 -0.665 1.957) 2.273 1.196 ( -0.839 -1.014 5.209) 5.373 1.210 ( 1.348 3.857 -0.130) 4.088 1.434 ( -4.209 -0.805 -6.914) 8.135 1.592 ( -1.818 -0.257 -3.029) 3.542 1.627 ( 0.267 -0.042 -0.179) 0.324 1.713 ( -0.443 -1.824 -3.661) 4.114 1.796 ( 0.693 2.184 -4.387) 4.950 1.827 ( 3.633 -0.192 4.207) 5.562 1.909 ( 3.937 -1.428 5.802) 7.155 2.155 ( -3.798 -2.727 -2.540) 5.321 2.336 ( -3.780 -3.118 -4.509) 6.659 2.459 ( 4.432 -1.941 4.634) 6.700 2.496 ( 0.840 2.295 3.363) 4.158 2.595 ( -2.772 1.016 -5.544) 6.281 2.714 ( 2.492 2.024 2.375) 3.993 2.810 ( 1.037 2.963 -0.420) 3.167 2.917 ( 2.043 -3.979 1.486) 4.714 2.983 ( -0.173 -0.515 -1.387) 1.489 3.356 ( -9.130 2.511 -8.376) 12.642 3.562 ( 2.180 -1.504 1.957) 3.293 3.587 ( -1.317 1.583 -0.441) 2.106 3.876 ( 5.555 1.782 8.182) 10.049 4.283 ( -1.196 -2.331 1.040) 2.819 4.318 ( -0.900 0.209 -2.796) 2.944 4.350 ( -0.472 -1.187 -0.428) 1.347 4.987 ( -0.442 2.070 0.006) 2.117 5.008 ( 0.156 1.825 0.190) 1.841 5.574 ( 3.229 2.224 4.207) 5.751 5.718 ( 0.679 -1.435 -2.845) 3.258 5.787 ( -0.991 -0.469 -0.314) 1.141 5.889 ( -1.732 -0.199 1.258) 2.149 8.111 ( -0.587 -0.266 2.867) 2.938 8.409 ( -0.765 1.958 -3.409) 4.005 9.145 ( 0.421 0.465 4.012) 4.061 9.433 ( 0.609 -3.219 -2.314) 4.011 10.857 ( 4.156 0.643 4.535) 6.185 11.439 ( -11.687 2.975 -11.678) 16.787 11.963 ( 10.774 2.881 11.830) 16.258 12.668 ( -3.108 -6.852 -7.319) 10.496 15.324 ( 2.035 -1.633 0.548) 2.666 15.387 ( -2.113 -3.132 -0.676) 3.838 16.494 ( 1.135 3.950 1.647) 4.427 16.630 ( -0.819 5.173 -1.307) 5.398 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 1.456 8.767 5.887) 10.660 0.813 ( 0.408 9.644 0.623) 9.673 0.930 ( 0.455 4.988 -1.224) 5.156 0.983 ( -1.226 3.185 -3.446) 4.850 1.186 ( 1.095 -1.106 3.162) 3.524 1.203 ( -1.026 -2.583 3.026) 4.109 1.238 ( 2.218 -1.976 3.641) 4.699 1.426 ( -3.034 -2.228 -3.794) 5.344 1.563 ( -3.412 1.964 -2.013) 4.422 1.604 ( 5.447 5.818 1.208) 8.061 1.664 ( -0.676 1.584 -1.738) 2.447 1.736 ( -0.497 2.668 -0.809) 2.832 1.916 ( 4.368 -1.908 4.402) 6.488 2.027 ( 1.881 -4.440 -1.106) 4.947 2.166 ( -3.280 -2.224 -0.876) 4.059 2.337 ( -5.143 -3.455 -4.056) 7.406 2.403 ( 0.167 8.359 3.178) 8.945 2.516 ( 4.149 -1.476 0.122) 4.406 2.560 ( -1.460 -0.834 -4.733) 5.022 2.742 ( 5.117 2.059 0.007) 5.516 2.802 ( 1.056 -2.114 -0.682) 2.460 2.980 ( -0.013 -0.675 -0.063) 0.678 3.012 ( -1.978 -4.486 0.781) 4.965 3.180 ( -6.448 4.309 -8.874) 11.786 3.542 ( -2.092 0.276 1.660) 2.684 3.630 ( 2.809 -0.792 0.476) 2.957 3.862 ( 3.603 6.152 8.828) 11.347 4.197 ( -5.692 6.430 -3.834) 9.404 4.364 ( -1.478 -6.288 0.454) 6.475 4.428 ( 0.957 -4.928 -0.312) 5.029 4.959 ( 1.583 1.470 0.356) 2.190 4.988 ( 1.963 1.349 0.175) 2.389 5.596 ( 3.501 -0.051 6.847) 7.690 5.734 ( 2.223 0.708 3.121) 3.896 5.809 ( -0.634 -3.065 -3.738) 4.875 5.896 ( -3.056 -2.793 -0.902) 4.237 8.118 ( 1.674 0.647 2.898) 3.409 8.353 ( -3.200 1.296 -3.029) 4.593 9.163 ( 1.374 -0.115 5.870) 6.030 9.518 ( -0.071 -6.347 -2.409) 6.789 10.870 ( 4.966 3.854 5.742) 8.514 11.214 ( -10.170 6.857 -10.018) 15.837 11.971 ( 8.972 9.113 11.568) 17.244 12.655 ( -9.472 0.486 -13.425) 16.437 15.351 ( -3.203 -2.208 0.590) 3.935 15.446 ( 3.242 -1.805 -0.472) 3.740 16.402 ( -5.150 2.812 0.801) 5.923 16.594 ( 9.157 2.807 -0.985) 9.628 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.590 -0.000 5.841) 6.856 0.823 ( 6.266 -0.000 5.355) 8.243 0.851 ( -1.996 0.000 -4.414) 4.844 0.902 ( 0.308 -0.000 -4.555) 4.566 1.109 ( -4.052 0.000 4.972) 6.414 1.248 ( -0.060 0.000 4.013) 4.014 1.292 ( 5.392 -0.000 2.494) 5.941 1.434 ( -0.347 0.000 -3.571) 3.587 1.454 ( 1.025 -0.000 -1.313) 1.666 1.620 ( -1.437 0.000 1.499) 2.077 1.654 ( -1.158 0.000 -2.174) 2.463 1.706 ( 5.313 -0.000 2.709) 5.964 1.871 ( -4.203 0.000 -4.446) 6.118 1.972 ( -2.466 0.000 -4.556) 5.181 2.134 ( 5.013 -0.000 3.896) 6.349 2.333 ( 1.393 -0.000 0.163) 1.402 2.380 ( 8.192 -0.000 6.144) 10.240 2.474 ( 3.644 -0.000 -3.049) 4.751 2.679 ( -0.771 0.000 -2.421) 2.541 2.792 ( 0.931 -0.000 1.463) 1.734 3.006 ( -2.290 0.000 -2.793) 3.612 3.055 ( -4.124 0.000 -1.754) 4.481 3.130 ( 1.436 -0.000 0.260) 1.459 3.171 ( -7.684 0.000 -0.241) 7.688 3.296 ( -0.870 0.000 0.919) 1.265 3.604 ( -2.776 0.000 -0.632) 2.848 3.740 ( 4.109 -0.000 -4.848) 6.356 3.818 ( 8.904 -0.000 4.201) 9.845 4.369 ( -4.156 0.000 0.405) 4.176 4.744 ( 2.222 -0.000 0.779) 2.355 5.125 ( 0.455 -0.000 2.504) 2.545 5.135 ( 3.951 -0.000 -0.806) 4.032 5.634 ( -2.341 0.000 -6.272) 6.695 5.799 ( -1.123 0.000 -8.386) 8.461 5.801 ( 0.285 -0.000 7.589) 7.595 6.257 ( -2.501 0.000 1.929) 3.159 8.049 ( -7.288 0.000 7.989) 10.814 8.564 ( 14.765 -0.000 1.267) 14.819 9.295 ( 2.249 -0.000 2.181) 3.133 9.514 ( -15.348 0.000 0.198) 15.350 10.488 ( -5.051 0.000 -1.370) 5.234 10.797 ( -1.630 0.000 1.988) 2.571 11.408 ( -0.438 0.000 -1.518) 1.580 11.752 ( 3.629 -0.000 0.580) 3.675 15.239 ( -3.418 0.000 -0.889) 3.532 15.450 ( -0.733 0.000 -3.031) 3.119 16.625 ( 5.621 -0.000 3.295) 6.515 17.073 ( 4.609 -0.000 -6.669) 8.107 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 1.382 1.660 -1.452) 2.603 0.818 ( 4.092 -0.106 4.825) 6.327 0.898 ( -0.458 -2.728 -0.939) 2.922 0.960 ( 2.047 -3.028 1.224) 3.855 1.088 ( -2.107 0.236 3.876) 4.418 1.236 ( 0.384 0.625 2.392) 2.501 1.337 ( -0.311 0.088 1.991) 2.017 1.438 ( -1.061 -2.057 -3.324) 4.050 1.546 ( 4.672 -5.707 1.821) 7.597 1.622 ( 0.287 1.400 0.936) 1.708 1.630 ( -0.988 -1.764 -1.513) 2.525 1.749 ( 0.429 -0.286 -1.136) 1.248 1.827 ( -2.292 0.358 -2.197) 3.195 1.945 ( -1.056 0.020 -3.495) 3.651 2.193 ( 1.502 -0.954 0.997) 2.040 2.329 ( -2.167 -1.210 -0.784) 2.603 2.470 ( 8.488 0.763 2.681) 8.934 2.513 ( 2.860 -0.130 -2.577) 3.852 2.610 ( -0.745 4.570 1.647) 4.915 2.789 ( 1.396 1.750 1.821) 2.885 2.905 ( -3.693 6.698 -3.021) 8.224 2.984 ( -0.308 3.216 0.220) 3.238 3.073 ( -1.255 2.461 1.008) 2.941 3.180 ( -0.098 -2.941 0.546) 2.993 3.350 ( -3.042 -5.482 -0.535) 6.292 3.633 ( -1.888 -4.652 -1.726) 5.309 3.750 ( 3.786 1.245 -3.799) 5.506 3.958 ( 4.419 -6.538 1.157) 7.975 4.328 ( -1.987 1.598 2.962) 3.909 4.723 ( 0.923 3.904 -0.035) 4.011 5.122 ( -0.689 0.607 1.543) 1.796 5.158 ( 3.296 1.356 0.135) 3.566 5.599 ( -0.873 0.360 -5.743) 5.820 5.750 ( -1.380 1.268 -7.444) 7.676 5.831 ( 0.521 -0.424 5.590) 5.630 6.184 ( -1.767 5.270 2.969) 6.301 8.016 ( -4.690 -0.436 8.467) 9.689 8.684 ( 13.858 2.522 -0.055) 14.086 9.288 ( -6.366 2.721 -0.423) 6.936 9.371 ( -6.312 -0.445 -0.482) 6.346 10.491 ( -2.661 -4.339 0.134) 5.092 10.918 ( -3.179 -14.082 -0.576) 14.448 11.446 ( 0.797 -3.674 0.302) 3.771 11.867 ( 1.089 -8.966 -0.048) 9.032 15.219 ( -1.722 -0.568 -0.172) 1.822 15.413 ( -0.696 2.309 -2.213) 3.273 16.663 ( 3.939 1.505 3.253) 5.325 17.064 ( 3.254 3.182 -5.135) 6.861 ======================= Grid point 117 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.295 -3.240 3.444) 5.257 0.902 ( 3.972 -3.217 3.103) 5.980 0.937 ( -2.189 -2.650 1.117) 3.614 1.021 ( 1.842 -2.837 -1.482) 3.693 1.098 ( 0.087 -0.701 3.792) 3.857 1.222 ( -1.107 1.505 2.236) 2.913 1.330 ( 0.365 0.927 2.048) 2.277 1.481 ( -0.474 -3.569 -1.379) 3.856 1.580 ( 0.182 2.984 0.819) 3.100 1.646 ( 2.331 1.046 -2.666) 3.692 1.655 ( -6.422 -2.603 -3.263) 7.659 1.752 ( 1.855 1.008 -0.622) 2.201 1.815 ( 2.877 -3.295 2.411) 4.994 1.952 ( 0.400 -1.413 -1.645) 2.205 2.193 ( -4.371 -1.408 -3.618) 5.846 2.324 ( -0.746 0.284 -2.014) 2.166 2.447 ( -2.465 3.504 -2.156) 4.796 2.513 ( -0.737 0.999 -3.414) 3.632 2.588 ( 5.174 2.977 6.898) 9.122 2.720 ( 0.718 7.053 0.413) 7.102 2.786 ( 2.443 1.466 3.182) 4.271 2.978 ( 1.304 -0.772 -0.767) 1.699 3.036 ( 0.013 1.456 1.150) 1.855 3.245 ( -2.049 -4.719 -0.715) 5.194 3.420 ( 0.102 -3.722 0.556) 3.765 3.692 ( -2.338 -3.328 -2.910) 5.001 3.762 ( 4.344 0.289 -0.391) 4.371 4.103 ( -2.363 -7.216 -3.984) 8.575 4.306 ( 2.385 1.530 6.348) 6.952 4.622 ( -0.053 6.933 -0.499) 6.952 5.097 ( -1.863 1.200 0.847) 2.372 5.147 ( 2.718 2.840 0.573) 3.972 5.582 ( 0.636 -0.231 -4.912) 4.959 5.694 ( -1.912 0.829 -7.401) 7.689 5.849 ( 0.655 0.738 4.967) 5.064 6.074 ( -1.204 5.539 3.853) 6.854 8.024 ( -2.185 -1.600 7.260) 7.748 8.689 ( 6.392 6.977 -3.385) 10.050 9.164 ( -6.177 0.706 0.866) 6.277 9.376 ( 0.174 -0.727 -1.510) 1.684 10.591 ( 0.494 -6.723 2.199) 7.091 11.183 ( -7.024 -17.552 -6.216) 19.901 11.568 ( 5.639 -6.427 5.287) 10.052 12.070 ( -1.610 -12.542 -1.120) 12.695 15.229 ( 0.174 -1.262 0.297) 1.308 15.353 ( -1.039 2.441 -1.142) 2.888 16.663 ( 2.344 2.414 2.710) 4.320 16.991 ( 1.321 5.704 -3.735) 6.945 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.508 -3.272 4.096) 5.268 0.974 ( -1.885 -3.446 0.830) 4.015 1.018 ( 5.199 -3.481 2.792) 6.852 1.094 ( 1.391 -2.642 1.985) 3.586 1.115 ( 0.527 0.327 3.448) 3.503 1.177 ( -0.062 3.255 3.424) 4.724 1.306 ( -2.452 2.308 0.578) 3.417 1.481 ( -2.085 2.512 -3.116) 4.513 1.523 ( -0.665 -0.254 -1.982) 2.106 1.588 ( 0.223 0.516 -2.190) 2.261 1.647 ( -4.072 0.936 -5.640) 7.019 1.793 ( 2.608 -3.957 4.449) 6.500 1.935 ( 4.561 -0.041 4.230) 6.221 1.974 ( 3.551 -0.550 -2.562) 4.413 2.131 ( -5.823 2.092 -4.897) 7.891 2.299 ( -4.592 -0.679 -1.948) 5.034 2.401 ( 4.389 2.728 1.946) 5.522 2.437 ( -1.858 -0.885 -0.975) 2.277 2.590 ( 0.748 1.182 1.026) 1.734 2.690 ( 1.010 -0.563 -0.108) 1.161 2.818 ( 2.502 -1.136 3.582) 4.515 2.958 ( -0.265 2.475 -3.143) 4.009 3.036 ( 1.708 1.267 3.381) 3.994 3.290 ( -5.953 -4.299 -4.078) 8.400 3.504 ( 3.793 -2.440 2.685) 5.249 3.680 ( -1.733 1.205 -3.276) 3.897 3.827 ( 4.434 -2.145 3.750) 6.191 4.158 ( -4.500 -4.631 -4.469) 7.853 4.343 ( 2.351 -0.293 4.192) 4.816 4.480 ( -0.014 7.667 0.008) 7.667 5.052 ( -2.067 1.649 0.177) 2.650 5.110 ( 1.832 3.383 0.515) 3.882 5.596 ( 1.807 -1.030 -3.250) 3.859 5.652 ( -2.355 -0.490 -6.008) 6.472 5.838 ( 0.388 2.079 4.023) 4.545 5.981 ( -1.336 4.204 3.350) 5.539 8.063 ( -0.409 -1.881 5.506) 5.833 8.563 ( -1.154 6.530 -4.890) 8.240 9.151 ( 0.949 -0.231 2.582) 2.761 9.379 ( -0.362 -0.451 -2.226) 2.300 10.744 ( 3.722 -6.285 4.565) 8.613 11.327 ( -10.938 -9.487 -11.124) 18.259 11.827 ( 11.239 -9.042 9.780) 17.428 12.279 ( -3.493 -12.796 -3.290) 13.666 15.271 ( 1.235 -2.382 0.167) 2.688 15.307 ( -0.749 1.098 -0.423) 1.395 16.629 ( -0.524 3.006 2.316) 3.831 16.869 ( 0.674 7.044 -2.688) 7.570 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -2.459 1.809 1.666) 3.478 1.033 ( 0.621 -3.233 2.914) 4.396 1.059 ( 1.157 3.451 2.018) 4.162 1.081 ( 0.014 5.214 5.938) 7.902 1.125 ( 1.121 0.452 3.711) 3.903 1.183 ( 0.590 -0.289 3.906) 3.961 1.239 ( 0.276 -1.903 -1.346) 2.347 1.425 ( -4.945 5.622 -6.712) 10.055 1.503 ( -4.147 -4.862 -1.846) 6.651 1.603 ( -0.812 -0.531 -5.338) 5.425 1.634 ( 3.927 -4.319 -1.289) 5.978 1.865 ( 0.877 0.465 2.412) 2.608 1.884 ( 1.616 5.538 -3.613) 6.807 1.995 ( 4.483 3.298 4.701) 7.285 2.091 ( -0.693 -2.028 0.462) 2.193 2.260 ( -4.219 -0.942 -2.739) 5.117 2.455 ( 4.750 -3.095 3.051) 6.438 2.497 ( -0.200 -3.364 0.315) 3.385 2.573 ( -0.524 0.623 -2.059) 2.214 2.717 ( 0.755 -1.672 0.286) 1.857 2.872 ( 0.766 -1.656 1.836) 2.588 2.891 ( -0.957 2.954 -4.314) 5.315 3.022 ( 2.234 2.832 5.238) 6.360 3.267 ( -7.382 -1.029 -5.906) 9.510 3.559 ( -0.396 -0.741 0.541) 1.000 3.626 ( 1.819 2.751 -0.810) 3.396 3.938 ( 5.726 -2.772 6.181) 8.870 4.201 ( -3.722 -5.048 -3.368) 7.119 4.330 ( -0.557 3.678 1.007) 3.854 4.370 ( -0.556 3.253 0.441) 3.330 5.008 ( -0.778 1.352 -0.460) 1.626 5.067 ( 1.641 2.860 0.589) 3.350 5.613 ( -0.427 -0.218 -1.169) 1.263 5.661 ( 0.659 -3.077 -3.758) 4.901 5.806 ( 0.001 2.223 2.814) 3.586 5.908 ( -1.724 2.931 2.085) 3.988 8.107 ( 1.046 -1.189 3.863) 4.175 8.433 ( -3.484 3.669 -3.885) 6.379 9.177 ( 2.983 0.428 2.816) 4.124 9.384 ( -0.877 -1.502 -2.359) 2.931 10.897 ( 6.027 -3.218 6.692) 9.563 11.307 ( -10.551 -2.701 -11.093) 15.547 12.082 ( 10.780 -3.587 9.834) 15.026 12.448 ( -5.282 -10.410 -6.370) 13.298 15.280 ( -3.533 -1.139 -0.040) 3.712 15.356 ( 5.246 -2.489 -0.169) 5.809 16.541 ( -5.773 3.976 1.553) 7.180 16.759 ( 4.085 5.837 -1.364) 7.254 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.973 6.410 2.198) 7.058 0.980 ( 2.201 7.084 1.576) 7.584 1.028 ( 2.062 3.134 1.042) 3.894 1.078 ( -0.174 5.822 2.336) 6.275 1.142 ( 1.512 -4.019 3.036) 5.259 1.183 ( -2.292 -0.946 4.804) 5.406 1.256 ( -0.039 3.388 -3.275) 4.713 1.330 ( -0.835 -3.616 -1.138) 3.882 1.522 ( -4.105 -2.197 -1.070) 4.777 1.608 ( -0.174 -1.765 -4.729) 5.051 1.742 ( 2.713 1.867 -0.710) 3.369 1.789 ( 1.746 1.166 -4.546) 5.007 1.906 ( 0.875 -4.209 2.483) 4.964 2.000 ( 4.512 1.451 4.352) 6.435 2.104 ( -1.573 -1.125 -0.339) 1.963 2.249 ( -3.478 -1.042 -2.287) 4.291 2.513 ( -0.794 2.240 -1.368) 2.742 2.532 ( 2.186 -0.911 -1.569) 2.841 2.563 ( 2.573 0.971 1.933) 3.362 2.770 ( 0.077 -2.009 -1.645) 2.597 2.821 ( 1.050 1.757 0.988) 2.273 2.912 ( -2.224 -3.145 2.252) 4.462 3.007 ( 2.339 2.417 2.156) 3.995 3.163 ( -6.163 2.776 -6.639) 9.474 3.541 ( -0.854 0.405 -0.678) 1.163 3.638 ( 2.843 -0.629 1.098) 3.111 4.019 ( 5.297 2.798 7.203) 9.369 4.207 ( -6.897 0.820 -4.734) 8.406 4.281 ( -0.926 -0.481 0.994) 1.441 4.346 ( 0.066 -2.940 -0.080) 2.942 4.990 ( 1.243 0.644 -0.924) 1.678 5.043 ( 2.423 1.881 1.162) 3.280 5.613 ( -1.087 -0.929 0.305) 1.462 5.734 ( 2.093 -3.622 -1.569) 4.468 5.779 ( 0.182 1.288 2.318) 2.658 5.854 ( -2.175 1.078 0.630) 2.508 8.148 ( 2.947 -0.502 2.905) 4.168 8.339 ( -4.531 1.890 -2.391) 5.461 9.203 ( 3.321 0.647 2.946) 4.486 9.413 ( -1.578 -3.586 -2.242) 4.514 10.989 ( 4.983 1.387 6.469) 8.283 11.194 ( -7.120 2.536 -8.262) 11.198 12.195 ( 7.907 3.402 9.309) 12.679 12.504 ( -8.952 -3.935 -9.896) 13.912 15.275 ( -3.530 -1.848 -0.228) 3.991 15.452 ( 4.899 -2.080 0.187) 5.326 16.407 ( -6.202 3.438 0.389) 7.102 16.726 ( 6.898 3.066 -0.295) 7.554 ======================= Grid point 125 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.606 0.000 0.019) 1.606 0.833 ( 0.913 -0.000 -0.564) 1.073 0.856 ( 0.007 -0.000 -3.391) 3.391 0.974 ( 3.271 -0.000 4.323) 5.421 1.081 ( -1.292 0.000 6.424) 6.552 1.239 ( -2.354 0.000 2.711) 3.590 1.345 ( 0.801 -0.000 2.398) 2.529 1.406 ( 0.160 -0.000 -4.319) 4.322 1.505 ( 0.059 -0.000 -1.891) 1.892 1.603 ( -0.931 0.000 0.864) 1.270 1.652 ( 2.508 -0.000 2.108) 3.276 1.751 ( -0.124 0.000 -0.973) 0.981 1.822 ( 2.739 -0.000 1.900) 3.334 1.939 ( 0.274 -0.000 -4.364) 4.373 2.187 ( -2.629 0.000 -3.593) 4.452 2.301 ( 0.476 -0.000 1.675) 1.742 2.509 ( 1.737 -0.000 -3.162) 3.608 2.510 ( -6.977 0.000 -7.664) 10.364 2.721 ( 10.912 -0.000 10.452) 15.111 2.820 ( 0.816 -0.000 2.730) 2.849 2.902 ( -1.256 0.000 -2.136) 2.477 3.060 ( 1.198 -0.000 1.321) 1.784 3.103 ( -1.760 0.000 2.813) 3.318 3.140 ( -0.511 0.000 -0.838) 0.982 3.273 ( -1.078 0.000 -0.237) 1.104 3.545 ( -2.354 0.000 -4.461) 5.044 3.790 ( 3.993 -0.000 -3.585) 5.366 3.913 ( -0.429 0.000 -2.228) 2.269 4.352 ( 1.331 -0.000 6.340) 6.478 4.762 ( -0.341 0.000 -0.910) 0.972 5.120 ( -1.540 0.000 0.754) 1.715 5.208 ( 3.681 -0.000 1.853) 4.121 5.581 ( -0.517 0.000 -5.197) 5.223 5.723 ( -1.705 0.000 -11.474) 11.600 5.848 ( 0.296 -0.000 7.896) 7.902 6.220 ( -2.464 0.000 1.624) 2.951 8.005 ( -2.590 0.000 11.584) 11.870 8.838 ( 13.079 -0.000 -2.068) 13.242 9.215 ( -14.869 0.000 0.062) 14.869 9.329 ( 0.539 -0.000 -0.988) 1.126 10.431 ( -0.609 0.000 0.697) 0.926 10.743 ( -3.519 0.000 -2.924) 4.576 11.435 ( 2.545 -0.000 3.138) 4.040 11.787 ( 0.313 -0.000 -1.471) 1.504 15.206 ( -0.036 0.000 0.839) 0.840 15.429 ( 0.137 -0.000 -2.613) 2.617 16.707 ( 1.012 -0.000 3.549) 3.690 17.111 ( 2.908 -0.000 -5.273) 6.022 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -3.803 -2.661 0.281) 4.650 0.851 ( 2.631 -1.107 1.861) 3.407 0.932 ( 0.773 -4.597 1.001) 4.768 0.979 ( 1.099 0.490 1.398) 1.845 1.096 ( -0.697 -0.245 4.603) 4.662 1.223 ( -2.136 -0.095 2.235) 3.093 1.350 ( 0.118 0.652 1.803) 1.920 1.425 ( 1.772 -2.115 -2.459) 3.696 1.525 ( -3.787 -3.650 -2.716) 5.920 1.609 ( -0.571 -0.612 -0.113) 0.845 1.664 ( 1.444 1.008 2.271) 2.874 1.757 ( -0.910 -0.542 -2.471) 2.688 1.875 ( 7.199 1.308 4.181) 8.428 1.927 ( 1.266 -0.501 -2.009) 2.427 2.131 ( -5.047 0.205 -5.619) 7.556 2.309 ( -3.255 0.157 -3.479) 4.767 2.398 ( -7.040 -0.118 -3.553) 7.887 2.517 ( 0.919 -0.453 -3.104) 3.268 2.764 ( 5.941 6.486 7.992) 11.884 2.831 ( 1.634 1.831 3.558) 4.322 2.902 ( 4.597 3.688 0.419) 5.908 3.005 ( 1.520 4.810 1.825) 5.364 3.063 ( -0.258 1.262 1.607) 2.060 3.152 ( -2.232 -2.368 -1.815) 3.726 3.341 ( 1.683 -6.034 1.279) 6.394 3.577 ( -2.254 -5.383 -4.716) 7.504 3.811 ( 4.505 0.855 -1.807) 4.928 3.931 ( -5.011 -5.322 -4.634) 8.654 4.383 ( 3.846 1.353 7.836) 8.833 4.715 ( -1.310 3.709 -1.432) 4.186 5.098 ( -2.041 0.664 0.233) 2.159 5.227 ( 2.907 2.121 2.823) 4.574 5.568 ( 0.221 -0.279 -4.768) 4.781 5.665 ( -2.219 0.813 -12.079) 12.308 5.873 ( 0.315 -0.163 7.002) 7.011 6.159 ( -2.258 4.050 2.205) 5.135 8.022 ( -0.094 -0.009 11.512) 11.513 8.833 ( -2.578 6.047 -5.732) 8.721 9.137 ( 1.009 -0.367 2.334) 2.569 9.343 ( -0.956 -1.703 -1.991) 2.789 10.492 ( 2.057 -5.191 2.473) 6.107 10.824 ( -4.298 -12.285 -5.428) 14.101 11.518 ( 4.411 -4.986 5.389) 8.565 11.852 ( -2.038 -7.779 -2.547) 8.435 15.220 ( 1.368 -0.461 1.410) 2.018 15.400 ( 0.508 2.573 -2.331) 3.508 16.705 ( -1.255 1.003 3.198) 3.579 17.088 ( 2.079 3.695 -4.613) 6.265 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.961 -5.715 3.392) 7.737 0.901 ( 1.033 -1.096 3.606) 3.908 1.011 ( 3.307 -3.009 3.219) 5.509 1.049 ( 0.557 -4.841 -0.416) 4.891 1.096 ( -1.887 -0.581 2.156) 2.924 1.210 ( -1.350 0.563 2.527) 2.920 1.338 ( 0.494 1.694 2.309) 2.906 1.471 ( -2.011 -1.148 -3.350) 4.073 1.524 ( -2.304 -0.085 -0.675) 2.402 1.593 ( 0.812 1.076 0.856) 1.597 1.672 ( -0.992 5.273 -7.108) 8.906 1.721 ( 0.529 -5.375 2.579) 5.985 1.940 ( 0.061 -4.144 1.532) 4.419 2.003 ( 8.217 -1.133 3.393) 8.962 2.070 ( -3.571 0.319 -6.581) 7.494 2.234 ( -7.391 -0.895 -5.180) 9.070 2.369 ( -1.465 0.320 -1.799) 2.342 2.514 ( 1.222 1.545 -2.807) 3.429 2.698 ( 3.225 6.219 6.013) 9.232 2.766 ( 2.044 6.521 2.968) 7.450 2.845 ( 1.601 1.929 3.109) 3.994 2.988 ( -0.125 1.635 -2.373) 2.884 3.070 ( 2.352 -0.217 3.705) 4.394 3.166 ( -3.922 -2.789 -3.091) 5.720 3.482 ( 3.570 -4.124 2.132) 5.856 3.642 ( 0.214 -4.012 -3.701) 5.463 3.845 ( 4.077 -0.518 1.981) 4.563 3.979 ( -6.830 -6.818 -5.358) 11.039 4.404 ( 3.394 2.200 6.473) 7.632 4.605 ( -1.208 6.059 -1.134) 6.282 5.060 ( -2.229 1.215 -0.229) 2.549 5.198 ( 1.579 3.765 2.308) 4.690 5.576 ( 1.141 -1.239 -4.018) 4.357 5.600 ( -3.351 0.007 -10.387) 10.914 5.886 ( 0.432 1.088 5.706) 5.825 6.059 ( -2.211 4.837 2.897) 6.056 8.062 ( 1.681 -0.593 8.974) 9.149 8.633 ( -8.229 6.369 -5.527) 11.783 9.190 ( 6.094 0.357 1.869) 6.384 9.354 ( -0.995 -0.862 -2.385) 2.724 10.660 ( 4.732 -7.978 5.163) 10.616 11.008 ( -6.256 -12.594 -8.513) 16.438 11.752 ( 9.394 -11.319 7.927) 16.709 12.000 ( -4.441 -11.596 -4.258) 13.127 15.251 ( 1.535 -0.741 1.054) 2.004 15.348 ( 1.301 2.521 -1.603) 3.258 16.660 ( -3.851 2.197 2.649) 5.164 16.996 ( 1.188 6.173 -3.635) 7.262 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -1.542 -0.900 3.418) 3.856 0.947 ( -1.744 -5.974 2.614) 6.750 1.066 ( -0.971 -0.773 1.182) 1.714 1.109 ( -1.439 -1.671 3.305) 3.973 1.154 ( -0.709 -4.308 1.522) 4.624 1.191 ( -1.230 0.517 1.162) 1.770 1.291 ( 3.085 5.465 5.800) 8.545 1.397 ( -3.357 0.942 -3.127) 4.684 1.484 ( -2.845 4.202 -4.991) 7.117 1.596 ( 1.994 -2.011 -0.002) 2.831 1.607 ( 1.859 1.009 -3.705) 4.267 1.850 ( 0.584 -4.132 2.903) 5.084 1.990 ( 0.553 4.501 -7.631) 8.877 2.021 ( -0.607 -4.496 2.007) 4.961 2.090 ( 2.458 0.002 2.644) 3.610 2.200 ( -1.701 -0.720 -0.653) 1.959 2.376 ( -1.730 -5.198 -2.689) 6.103 2.490 ( 4.190 1.841 -1.793) 4.915 2.637 ( 2.544 4.269 4.231) 6.527 2.717 ( 0.463 1.337 2.146) 2.570 2.856 ( 0.081 -1.028 0.353) 1.090 2.919 ( -2.270 3.460 -3.468) 5.399 3.101 ( 3.138 0.927 5.658) 6.536 3.165 ( -4.859 -2.208 -3.466) 6.364 3.531 ( -1.302 -0.787 -1.083) 1.868 3.703 ( 5.116 1.156 -0.159) 5.247 3.930 ( 4.003 -3.898 4.736) 7.325 4.030 ( -6.396 -6.781 -4.958) 10.558 4.387 ( 0.492 3.037 3.532) 4.684 4.475 ( -0.561 6.627 -0.216) 6.654 5.019 ( -1.361 0.962 -0.767) 1.835 5.141 ( 0.723 3.547 1.338) 3.859 5.558 ( -3.874 -1.562 -7.107) 8.244 5.617 ( 1.888 -2.480 -2.801) 4.190 5.867 ( 0.343 2.648 4.686) 5.393 5.962 ( -2.171 4.062 2.383) 5.186 8.116 ( 2.886 -0.842 5.930) 6.649 8.450 ( -7.106 4.122 -3.779) 9.043 9.232 ( 4.576 0.760 1.042) 4.755 9.348 ( -1.007 -0.309 -2.133) 2.379 10.875 ( 5.823 -7.118 6.820) 11.449 11.107 ( -6.192 -7.096 -8.232) 12.509 12.085 ( 10.349 -9.024 6.862) 15.350 12.166 ( -4.545 -12.811 -5.521) 14.672 15.254 ( -0.939 0.729 -0.235) 1.212 15.364 ( 4.592 -1.539 -0.227) 4.848 16.559 ( -6.779 3.902 1.643) 7.993 16.887 ( 1.440 5.470 -2.003) 6.001 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -3.653 2.921 1.305) 4.855 1.039 ( -0.335 -2.461 1.623) 2.967 1.070 ( -1.099 -1.312 2.282) 2.853 1.115 ( -1.860 0.381 3.811) 4.258 1.151 ( -2.567 1.245 -0.583) 2.912 1.161 ( -0.428 0.311 3.039) 3.085 1.301 ( 3.750 4.070 2.220) 5.963 1.369 ( 3.451 2.046 0.272) 4.021 1.402 ( -5.054 -3.930 -1.530) 6.582 1.589 ( 1.582 0.890 -4.252) 4.623 1.700 ( 3.826 -5.819 -2.321) 7.341 1.864 ( 0.529 6.136 -6.735) 9.126 1.874 ( -2.104 -0.194 2.351) 3.162 2.073 ( -3.709 0.224 -1.348) 3.953 2.104 ( 4.097 0.645 4.995) 6.492 2.208 ( 0.282 -0.519 1.294) 1.422 2.486 ( -0.577 -4.478 -1.843) 4.877 2.527 ( 4.638 -1.684 -1.160) 5.069 2.618 ( 3.384 1.465 3.421) 5.030 2.724 ( -0.310 -1.851 -1.514) 2.411 2.817 ( -4.819 2.327 -1.738) 5.627 2.865 ( -1.511 -1.154 -1.674) 2.533 3.093 ( -2.408 3.055 0.529) 3.925 3.161 ( 3.138 0.391 3.566) 4.766 3.526 ( -0.779 -0.751 -1.721) 2.033 3.689 ( 2.492 3.219 1.646) 4.391 4.056 ( -0.458 -5.184 -1.129) 5.325 4.085 ( -1.310 -4.045 -0.399) 4.270 4.324 ( -1.070 3.755 2.165) 4.464 4.361 ( -0.378 4.538 0.393) 4.571 5.001 ( 0.127 0.098 -1.217) 1.228 5.100 ( 1.055 1.986 1.445) 2.673 5.549 ( -3.305 -2.550 -4.258) 5.963 5.684 ( 2.042 -3.240 -1.967) 4.305 5.829 ( 0.508 2.614 4.212) 4.983 5.881 ( -1.974 3.071 1.314) 3.880 8.175 ( 4.083 -0.782 3.547) 5.464 8.326 ( -5.790 2.277 -1.683) 6.445 9.256 ( 3.217 0.660 0.509) 3.324 9.344 ( -1.534 -1.196 -1.669) 2.563 10.998 ( -3.461 -2.349 -1.783) 4.547 11.171 ( 4.981 -2.743 2.989) 6.424 12.225 ( -5.695 -5.971 -4.724) 9.508 12.368 ( 6.832 -4.214 2.524) 8.415 15.233 ( -1.376 0.047 -0.428) 1.442 15.454 ( 4.732 -2.576 0.278) 5.395 16.418 ( -6.499 3.916 0.413) 7.599 16.823 ( 2.229 2.805 -0.470) 3.614 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -6.979 0.000 -2.111) 7.291 0.817 ( -4.197 0.000 -0.736) 4.261 0.889 ( 3.866 -0.000 1.807) 4.267 1.009 ( 0.740 -0.000 -0.978) 1.227 1.109 ( -0.205 0.000 6.680) 6.683 1.202 ( -2.531 0.000 2.271) 3.401 1.354 ( -2.666 0.000 1.097) 2.883 1.420 ( 2.841 -0.000 -1.803) 3.365 1.477 ( 1.565 -0.000 0.612) 1.681 1.593 ( -0.696 0.000 0.701) 0.988 1.696 ( -5.462 0.000 -2.782) 6.129 1.729 ( 3.914 -0.000 4.422) 5.905 1.922 ( 0.411 -0.000 -4.389) 4.409 1.999 ( 11.062 -0.000 7.367) 13.291 2.068 ( -5.204 0.000 -4.968) 7.195 2.210 ( -12.961 0.000 -10.283) 16.544 2.361 ( 0.024 -0.000 0.586) 0.586 2.504 ( -0.564 0.000 -2.960) 3.013 2.838 ( -0.516 0.000 2.128) 2.190 2.906 ( 1.750 -0.000 4.930) 5.231 3.009 ( 7.493 -0.000 4.785) 8.890 3.080 ( 3.982 -0.000 1.171) 4.150 3.111 ( -1.187 0.000 -1.772) 2.133 3.145 ( 4.105 -0.000 5.732) 7.051 3.255 ( -1.176 0.000 -1.144) 1.641 3.463 ( -3.302 0.000 -7.923) 8.583 3.816 ( -6.165 0.000 -4.205) 7.462 3.868 ( 6.121 -0.000 -1.125) 6.224 4.458 ( 4.691 -0.000 8.506) 9.714 4.727 ( -2.356 0.000 -2.082) 3.144 5.083 ( -2.552 0.000 -0.227) 2.562 5.279 ( 1.470 -0.000 4.826) 5.045 5.555 ( 0.337 -0.000 -4.403) 4.416 5.622 ( -1.381 0.000 -16.139) 16.198 5.891 ( 0.124 -0.000 7.875) 7.876 6.180 ( -2.589 0.000 1.088) 2.808 8.069 ( 2.139 -0.000 14.457) 14.614 8.790 ( -14.017 0.000 -4.731) 14.794 9.209 ( 11.960 -0.000 0.491) 11.970 9.300 ( -2.564 0.000 -1.931) 3.210 10.475 ( 4.204 -0.000 2.551) 4.917 10.658 ( -2.894 0.000 -5.231) 5.978 11.513 ( 3.093 -0.000 5.300) 6.137 11.747 ( -3.341 0.000 -3.255) 4.664 15.240 ( 2.553 -0.000 2.028) 3.261 15.427 ( 1.110 -0.000 -3.309) 3.490 16.700 ( -3.309 0.000 3.318) 4.686 17.132 ( 2.087 -0.000 -4.837) 5.268 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -6.885 -5.221 1.920) 8.852 0.860 ( -6.294 -7.723 -0.461) 9.974 0.946 ( 3.408 -1.637 1.903) 4.232 1.014 ( 1.901 0.032 0.307) 1.926 1.102 ( -0.462 1.188 4.202) 4.391 1.195 ( -2.135 -0.730 1.523) 2.722 1.349 ( -2.107 -1.938 1.888) 3.429 1.425 ( -0.047 0.471 -2.639) 2.681 1.520 ( 3.376 -0.449 1.760) 3.834 1.603 ( -0.095 -1.263 0.305) 1.302 1.619 ( -7.877 -0.648 -1.765) 8.098 1.769 ( 3.408 2.801 1.699) 4.727 1.877 ( -1.930 0.945 -3.689) 4.269 2.023 ( -1.225 -0.544 -3.880) 4.105 2.084 ( -5.520 -0.877 -4.635) 7.261 2.134 ( 5.996 -1.204 3.848) 7.226 2.371 ( 0.502 -0.324 -0.365) 0.701 2.501 ( -0.900 -1.344 -2.680) 3.131 2.821 ( -0.822 1.700 2.179) 2.883 2.889 ( 1.589 5.292 5.316) 7.667 2.990 ( 1.403 6.059 1.513) 6.400 3.025 ( 0.327 6.280 -1.230) 6.408 3.103 ( -0.045 0.426 -1.313) 1.382 3.114 ( 2.131 1.289 2.364) 3.434 3.416 ( 4.565 -8.096 1.984) 9.504 3.516 ( -0.081 -8.279 -5.269) 9.814 3.787 ( -6.504 -4.102 -3.596) 8.489 3.913 ( 6.295 1.622 1.499) 6.671 4.502 ( 4.151 2.170 7.518) 8.858 4.669 ( -2.436 2.990 -2.026) 4.356 5.050 ( -3.073 0.522 -0.615) 3.177 5.274 ( -0.560 2.292 5.114) 5.632 5.549 ( -2.256 1.425 -16.516) 16.730 5.557 ( 0.869 -0.739 -3.844) 4.009 5.915 ( 0.588 -0.030 6.843) 6.869 6.122 ( -2.784 3.499 1.541) 4.730 8.120 ( 3.514 1.127 13.095) 13.606 8.609 ( -13.543 3.339 -3.822) 14.463 9.250 ( 0.430 0.844 -1.187) 1.519 9.350 ( 8.122 -0.964 -0.976) 8.237 10.583 ( 5.300 -5.790 3.828) 8.733 10.734 ( -1.492 -10.293 -5.567) 11.797 11.640 ( 5.265 -9.086 5.905) 12.048 11.768 ( -4.864 -7.092 -4.311) 9.619 15.271 ( 2.831 0.042 1.655) 3.280 15.404 ( 1.319 2.403 -3.417) 4.381 16.659 ( -4.905 1.338 3.195) 6.004 17.094 ( 0.892 4.287 -4.782) 6.484 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -4.809 -8.576 3.694) 10.504 0.911 ( -4.145 -2.041 2.639) 5.320 1.009 ( -1.110 -3.516 -0.424) 3.711 1.038 ( -1.205 -1.442 0.781) 2.035 1.112 ( 1.199 -0.892 4.381) 4.629 1.188 ( -2.027 -0.011 0.512) 2.091 1.366 ( -2.620 0.250 1.457) 3.009 1.407 ( 1.699 0.186 -0.070) 1.710 1.515 ( -3.640 3.089 -3.315) 5.812 1.583 ( -1.802 -2.464 -1.687) 3.488 1.634 ( 2.456 -0.274 1.429) 2.854 1.750 ( -0.014 -3.075 -0.317) 3.091 1.897 ( -1.807 -4.051 -2.030) 4.878 2.023 ( -1.356 0.083 -4.575) 4.772 2.065 ( -0.508 -2.334 -1.403) 2.770 2.217 ( 5.702 -0.609 4.394) 7.224 2.366 ( 2.308 2.720 -0.623) 3.621 2.525 ( 1.763 -1.636 -1.997) 3.126 2.769 ( 1.127 4.920 4.617) 6.841 2.790 ( -0.783 5.944 1.062) 6.089 2.861 ( -0.799 3.852 -0.802) 4.015 2.952 ( -2.295 3.121 -3.077) 4.947 3.093 ( -2.067 -0.721 -1.134) 2.465 3.144 ( 2.953 -0.951 4.832) 5.743 3.506 ( -0.006 -1.402 -3.001) 3.313 3.718 ( 6.852 -6.538 -0.374) 9.479 3.828 ( -5.032 -7.041 -2.659) 9.054 3.932 ( 2.879 1.070 4.820) 5.715 4.484 ( 1.947 4.600 5.118) 7.152 4.570 ( -1.764 4.797 -1.462) 5.316 5.011 ( -2.731 0.384 -0.944) 2.915 5.213 ( -1.783 3.867 3.174) 5.311 5.468 ( -4.476 -0.881 -12.024) 12.861 5.584 ( 1.577 -1.900 -2.814) 3.744 5.925 ( 0.785 1.575 5.192) 5.482 6.025 ( -2.622 4.324 2.057) 5.459 8.165 ( 4.131 0.673 8.703) 9.658 8.428 ( -10.199 2.952 -2.496) 10.907 9.238 ( -2.394 -0.992 -1.321) 2.908 9.400 ( 7.418 3.045 -1.065) 8.089 10.775 ( 2.096 -8.246 1.988) 8.738 10.917 ( 2.510 -9.821 -1.137) 10.200 11.862 ( -6.923 -10.960 -6.712) 14.598 11.993 ( 12.725 -15.004 6.091) 20.595 15.282 ( 1.323 1.751 -0.288) 2.214 15.383 ( 3.050 0.019 -1.397) 3.355 16.570 ( -6.629 3.381 2.324) 7.796 16.980 ( -1.618 5.580 -3.588) 6.828 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -5.084 -0.885 1.572) 5.394 0.928 ( -3.062 -6.728 3.081) 8.009 1.037 ( -1.353 -1.464 0.298) 2.016 1.068 ( -2.988 -3.232 0.969) 4.507 1.131 ( -1.421 0.452 0.097) 1.494 1.169 ( -1.393 0.030 3.012) 3.318 1.310 ( -4.092 1.241 -0.439) 4.299 1.421 ( 1.382 0.352 -2.225) 2.643 1.444 ( 4.726 2.690 4.154) 6.843 1.637 ( 2.510 -0.212 -0.669) 2.606 1.650 ( 2.867 -0.813 -0.927) 3.121 1.817 ( -4.499 -3.752 0.579) 5.887 1.933 ( -0.231 -0.045 -7.546) 7.549 1.979 ( -5.628 -1.184 -3.508) 6.737 2.130 ( 4.749 -1.629 5.172) 7.208 2.291 ( 4.858 3.781 3.341) 7.005 2.349 ( -0.320 -6.257 -0.643) 6.298 2.580 ( 7.071 0.578 -1.007) 7.166 2.684 ( -1.235 2.854 0.903) 3.239 2.716 ( -0.384 2.368 0.979) 2.591 2.814 ( -3.624 0.632 -4.194) 5.579 2.845 ( -3.134 3.287 -2.053) 4.984 3.076 ( -2.981 0.123 -0.813) 3.092 3.227 ( 6.095 -1.496 8.068) 10.222 3.506 ( 0.383 -0.171 -3.186) 3.213 3.785 ( 0.691 2.595 0.862) 2.820 3.876 ( -5.605 -4.363 -3.636) 7.980 4.042 ( 5.264 -6.249 3.993) 9.094 4.403 ( -0.484 5.447 2.913) 6.196 4.457 ( -0.999 5.427 -0.706) 5.563 4.988 ( -1.549 -0.441 -1.166) 1.988 5.141 ( -1.788 2.259 1.772) 3.382 5.447 ( -3.657 -3.298 -6.343) 8.030 5.640 ( 1.930 -2.906 -1.959) 4.001 5.897 ( 0.279 2.961 3.688) 4.738 5.932 ( -1.830 3.906 1.798) 4.673 8.216 ( 4.123 -0.126 4.265) 5.933 8.303 ( -6.434 1.755 -0.355) 6.678 9.235 ( -3.270 -1.744 -1.198) 3.895 9.388 ( 5.006 3.635 -0.981) 6.264 10.875 ( -4.542 -4.709 -4.375) 7.870 11.162 ( 10.034 -8.082 8.571) 15.475 11.968 ( -9.024 -10.021 -8.850) 16.130 12.373 ( 14.026 -8.627 4.045) 16.956 15.247 ( 0.547 1.951 -0.901) 2.217 15.447 ( 3.962 -2.556 0.037) 4.715 16.434 ( -6.656 4.176 0.699) 7.889 16.871 ( -2.698 2.877 -1.320) 4.159 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -9.082 0.000 -1.394) 9.188 0.674 ( -10.188 0.000 0.087) 10.188 0.969 ( 2.643 -0.000 2.466) 3.615 1.036 ( 3.049 -0.000 -2.872) 4.189 1.124 ( -1.035 0.000 4.382) 4.503 1.174 ( -1.633 0.000 1.941) 2.537 1.291 ( -3.042 0.000 2.268) 3.794 1.416 ( -9.661 0.000 -0.327) 9.667 1.542 ( -2.462 0.000 -0.630) 2.541 1.564 ( 5.140 -0.000 2.094) 5.550 1.589 ( -0.195 0.000 -0.613) 0.644 1.836 ( 3.131 -0.000 5.479) 6.310 1.912 ( 1.902 -0.000 -2.988) 3.542 1.913 ( -11.761 0.000 -8.268) 14.377 2.004 ( 0.245 -0.000 -4.378) 4.385 2.259 ( 11.724 -0.000 8.642) 14.565 2.360 ( -0.532 0.000 -1.397) 1.495 2.459 ( -2.636 0.000 -2.645) 3.734 2.818 ( -1.888 0.000 -0.198) 1.898 2.953 ( 0.984 -0.000 3.171) 3.321 3.021 ( -2.304 0.000 2.545) 3.433 3.098 ( 0.503 -0.000 -0.744) 0.898 3.192 ( -4.750 0.000 -3.566) 5.940 3.193 ( 3.640 -0.000 3.243) 4.875 3.342 ( -4.444 0.000 -9.838) 10.795 3.371 ( 13.570 -0.000 6.650) 15.111 3.697 ( -4.295 0.000 -1.485) 4.544 4.019 ( 10.039 -0.000 3.149) 10.521 4.583 ( 4.073 -0.000 7.444) 8.485 4.665 ( -2.869 0.000 -2.291) 3.672 5.020 ( -3.936 0.000 -0.924) 4.043 5.283 ( -4.378 0.000 5.539) 7.060 5.519 ( 0.382 -0.000 -20.273) 20.277 5.549 ( 1.138 -0.000 -3.148) 3.347 5.938 ( 0.902 -0.000 7.276) 7.332 6.132 ( -3.006 0.000 0.420) 3.035 8.213 ( 4.507 -0.000 14.902) 15.569 8.498 ( -14.329 0.000 -2.245) 14.504 9.242 ( -2.494 0.000 2.031) 3.216 9.441 ( 12.397 -0.000 -2.473) 12.641 10.597 ( -0.713 0.000 -4.826) 4.879 10.601 ( 7.300 -0.000 3.583) 8.132 11.589 ( 2.001 -0.000 4.851) 5.248 11.635 ( -6.423 0.000 -4.482) 7.833 15.304 ( 2.855 -0.000 1.496) 3.223 15.430 ( 1.371 -0.000 -4.971) 5.157 16.634 ( -5.247 0.000 3.791) 6.473 17.134 ( 0.878 -0.000 -6.799) 6.856 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -7.153 -8.248 5.098) 12.049 0.696 ( -9.288 -10.949 -2.281) 14.538 0.987 ( -1.743 -0.659 0.546) 1.942 1.054 ( 2.737 0.708 -0.084) 2.828 1.134 ( 0.687 -0.021 6.200) 6.238 1.155 ( -2.179 -0.355 -0.081) 2.209 1.273 ( -11.318 -1.561 -2.495) 11.695 1.350 ( -2.846 -4.489 4.350) 6.868 1.515 ( -0.508 2.543 -1.004) 2.781 1.581 ( 1.839 2.073 1.798) 3.303 1.614 ( 0.740 -1.523 -3.028) 3.469 1.764 ( -2.803 1.910 -2.933) 4.484 1.861 ( -0.416 -0.458 -0.197) 0.649 1.981 ( 1.508 -1.958 -1.390) 2.836 2.025 ( 2.646 -2.422 -0.462) 3.617 2.292 ( 1.920 3.257 1.484) 4.062 2.425 ( 6.882 -1.683 3.141) 7.750 2.464 ( -1.535 -3.568 -2.284) 4.506 2.795 ( -1.756 0.595 0.315) 1.881 2.926 ( -0.155 5.545 2.311) 6.009 2.972 ( -2.479 2.999 0.125) 3.893 2.995 ( -2.943 9.133 -4.055) 10.418 3.099 ( 0.981 1.878 -0.692) 2.229 3.156 ( 0.475 0.580 1.993) 2.129 3.412 ( -1.329 -7.380 -4.520) 8.756 3.633 ( 7.502 -7.709 2.473) 11.037 3.689 ( -0.607 -4.759 0.468) 4.820 4.071 ( 8.750 6.010 5.195) 11.819 4.599 ( 1.897 3.526 4.515) 6.035 4.613 ( -1.766 2.369 -1.015) 3.125 4.979 ( -3.975 -0.072 -0.974) 4.094 5.242 ( -5.706 0.966 5.772) 8.173 5.413 ( -3.113 3.689 -18.353) 18.977 5.564 ( 1.549 -1.029 -2.171) 2.859 5.966 ( 1.316 0.363 5.443) 5.612 6.074 ( -2.941 2.944 0.933) 4.265 8.256 ( 2.994 2.437 9.937) 10.660 8.361 ( -10.755 0.890 0.165) 10.793 9.209 ( -2.276 1.593 3.521) 4.485 9.537 ( 10.467 2.043 -2.485) 10.950 10.650 ( 0.971 -6.002 -2.301) 6.502 10.785 ( 7.742 -9.457 3.558) 12.729 11.614 ( -7.370 -6.360 -5.678) 11.269 11.803 ( 8.644 -17.170 4.273) 19.693 15.325 ( 2.147 0.860 0.110) 2.315 15.412 ( 1.736 1.251 -4.014) 4.549 16.573 ( -5.867 2.339 3.441) 7.193 17.050 ( -3.153 5.735 -7.797) 10.180 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -5.636 -9.787 2.760) 11.626 0.780 ( -9.098 -6.021 1.770) 11.053 0.985 ( -3.183 -2.028 -0.298) 3.786 1.054 ( 2.650 2.113 2.524) 4.226 1.142 ( 0.316 1.103 0.004) 1.147 1.161 ( -1.091 -0.671 2.893) 3.164 1.280 ( -5.649 -6.985 -1.546) 9.115 1.375 ( -6.982 -0.160 0.276) 6.990 1.475 ( 3.377 -1.943 2.013) 4.386 1.570 ( -0.235 -1.061 -2.734) 2.942 1.668 ( 1.202 -3.301 -0.450) 3.542 1.763 ( 1.051 -0.288 2.612) 2.831 1.848 ( -2.524 -0.474 -3.178) 4.086 1.991 ( 2.366 1.387 -4.643) 5.393 2.133 ( 4.104 -4.141 4.589) 7.419 2.267 ( -0.025 -0.622 0.847) 1.052 2.448 ( 4.110 4.888 0.248) 6.392 2.569 ( 2.303 -5.835 -1.564) 6.465 2.760 ( 0.244 4.277 0.951) 4.388 2.782 ( -2.176 4.144 -2.449) 5.282 2.813 ( -2.454 6.813 -2.785) 7.758 2.882 ( -2.828 3.802 -1.535) 4.981 3.073 ( -0.191 1.122 0.296) 1.176 3.230 ( 2.982 -4.501 4.853) 7.260 3.491 ( 0.537 -2.568 -3.635) 4.483 3.680 ( -3.932 -3.370 -1.949) 5.533 3.936 ( 9.814 -4.667 2.142) 11.076 3.983 ( -1.454 4.132 5.783) 7.255 4.523 ( -0.716 4.782 0.261) 4.843 4.533 ( -0.610 5.679 1.104) 5.818 4.952 ( -2.909 -0.814 -0.806) 3.126 5.156 ( -5.962 2.608 2.974) 7.155 5.337 ( -2.989 -2.971 -7.661) 8.744 5.606 ( 1.844 -2.154 -1.342) 3.137 5.954 ( -0.610 2.559 1.683) 3.123 5.998 ( -0.637 3.507 2.668) 4.452 8.225 ( -5.845 0.381 0.434) 5.874 8.309 ( 1.768 1.118 5.480) 5.866 9.176 ( -3.433 -0.246 2.366) 4.177 9.529 ( 6.725 5.850 -2.532) 9.266 10.745 ( -1.793 -4.734 -2.797) 5.783 11.092 ( 10.564 -12.025 8.512) 18.129 11.675 ( -8.833 -9.531 -8.301) 15.420 12.304 ( 18.586 -16.569 1.290) 24.932 15.300 ( 1.386 2.697 -1.693) 3.473 15.436 ( 2.981 -1.866 -0.622) 3.571 16.453 ( -6.616 4.351 1.184) 8.006 16.878 ( -7.634 3.919 -4.094) 9.508 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -9.360 0.000 2.527) 9.695 0.476 ( -11.039 0.000 2.907) 11.415 0.961 ( -3.868 0.000 -1.182) 4.045 0.976 ( -15.364 0.000 0.837) 15.387 1.154 ( 0.247 -0.000 -1.266) 1.289 1.155 ( 1.826 -0.000 5.835) 6.114 1.225 ( -1.785 0.000 3.727) 4.132 1.288 ( 0.726 -0.000 3.711) 3.782 1.556 ( 0.615 -0.000 -1.640) 1.751 1.591 ( -0.803 0.000 -3.734) 3.819 1.653 ( 3.312 -0.000 0.487) 3.348 1.704 ( -5.208 0.000 -1.483) 5.415 1.832 ( -1.923 0.000 -2.911) 3.488 2.004 ( 4.183 -0.000 5.447) 6.867 2.029 ( 3.653 -0.000 -2.707) 4.547 2.326 ( -2.082 0.000 -2.059) 2.929 2.387 ( -3.312 0.000 -2.315) 4.041 2.493 ( 8.595 -0.000 4.892) 9.890 2.792 ( -0.212 0.000 1.198) 1.217 2.953 ( -1.646 0.000 -2.631) 3.104 3.003 ( -1.142 0.000 5.100) 5.226 3.028 ( -7.608 0.000 -9.265) 11.988 3.129 ( 0.617 -0.000 3.386) 3.442 3.229 ( -2.388 0.000 -6.681) 7.095 3.263 ( 2.227 -0.000 2.804) 3.581 3.637 ( 10.832 -0.000 4.972) 11.919 3.645 ( -1.207 0.000 -0.126) 1.213 4.280 ( 15.616 -0.000 2.775) 15.861 4.602 ( -2.476 0.000 -2.591) 3.583 4.673 ( 2.035 -0.000 4.745) 5.163 4.936 ( -4.253 0.000 -0.685) 4.308 5.202 ( -5.020 0.000 6.025) 7.842 5.396 ( -4.510 0.000 -19.639) 20.151 5.565 ( 1.697 -0.000 -1.186) 2.071 5.995 ( 1.440 -0.000 5.742) 5.920 6.073 ( -3.397 0.000 -0.313) 3.412 8.254 ( -11.124 0.000 0.133) 11.124 8.346 ( 2.149 -0.000 8.260) 8.535 9.300 ( 6.179 -0.000 17.600) 18.653 9.633 ( 9.902 -0.000 -3.578) 10.529 10.585 ( 1.511 -0.000 -2.809) 3.190 10.770 ( 8.559 -0.000 3.982) 9.440 11.474 ( -7.936 0.000 -4.437) 9.092 11.632 ( 0.437 -0.000 3.069) 3.100 15.351 ( 1.687 -0.000 0.307) 1.715 15.429 ( 1.624 -0.000 -5.655) 5.884 16.557 ( -5.154 0.000 4.115) 6.595 17.054 ( -5.274 0.000 -16.125) 16.965 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -7.693 -8.511 4.824) 12.446 0.531 ( -7.383 -13.227 2.383) 15.334 0.883 ( -11.819 -7.501 4.713) 14.770 0.943 ( -8.245 -5.273 -1.366) 9.882 1.158 ( 2.371 0.881 -1.282) 2.836 1.176 ( 1.876 3.501 2.260) 4.570 1.191 ( 0.969 1.090 6.603) 6.762 1.341 ( -3.109 -1.077 2.257) 3.990 1.495 ( 0.344 1.639 -3.893) 4.238 1.569 ( -0.821 0.014 -5.308) 5.372 1.634 ( 1.847 0.678 3.112) 3.682 1.748 ( -0.633 -2.435 2.147) 3.307 1.822 ( -1.023 -0.930 -3.806) 4.049 2.039 ( 4.081 1.165 -2.168) 4.766 2.099 ( 2.790 -3.723 3.910) 6.077 2.276 ( -2.006 1.349 -0.762) 2.535 2.435 ( 0.307 -6.865 -3.121) 7.547 2.552 ( 3.753 1.598 -1.601) 4.382 2.801 ( 1.632 1.044 3.627) 4.112 2.859 ( -5.829 5.937 -6.617) 10.630 2.903 ( -2.221 3.031 -2.759) 4.662 2.959 ( -0.242 5.907 1.543) 6.110 3.113 ( 0.253 3.890 -0.608) 3.945 3.169 ( 0.377 -3.254 1.756) 3.717 3.393 ( 0.705 -6.697 0.237) 6.738 3.639 ( -0.253 -0.072 0.029) 0.265 3.835 ( 5.822 -9.265 2.700) 11.271 4.234 ( 4.018 15.581 -3.187) 16.404 4.556 ( -1.770 1.898 -2.772) 3.797 4.651 ( 0.354 4.574 2.628) 5.287 4.906 ( -3.144 -0.749 -0.056) 3.232 5.163 ( -8.037 5.155 7.676) 12.251 5.253 ( -1.860 -1.717 -5.572) 6.120 5.591 ( 1.867 -1.097 -0.177) 2.173 5.990 ( -1.505 2.106 0.467) 2.631 6.048 ( 0.162 0.878 2.349) 2.513 8.161 ( -7.904 -0.012 1.048) 7.973 8.357 ( 0.559 0.764 3.695) 3.814 9.249 ( 1.630 10.184 15.377) 18.515 9.700 ( 8.553 4.687 -2.790) 10.145 10.658 ( 0.976 -3.827 -1.334) 4.168 10.975 ( 9.116 -11.162 5.515) 15.431 11.436 ( -7.851 -5.267 -5.201) 10.790 12.062 ( 19.616 -30.394 -2.149) 36.238 15.352 ( 1.392 1.632 -1.249) 2.482 15.434 ( 2.491 -0.646 -2.303) 3.454 16.477 ( -6.281 4.118 1.739) 7.709 16.846 ( -14.158 5.047 -13.475) 20.186 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -4.679 0.000 11.253) 12.187 0.327 ( -7.949 0.000 9.648) 12.501 0.651 ( -18.116 0.000 14.143) 22.983 0.865 ( -4.052 0.000 -3.488) 5.346 1.181 ( 2.714 -0.000 -1.562) 3.131 1.213 ( 0.090 -0.000 7.628) 7.629 1.258 ( 0.004 -0.000 1.217) 1.217 1.334 ( 2.051 -0.000 1.551) 2.572 1.474 ( -2.772 0.000 -6.155) 6.751 1.561 ( 0.314 -0.000 -2.837) 2.855 1.670 ( -1.685 0.000 -1.005) 1.962 1.725 ( 1.726 -0.000 5.951) 6.197 1.787 ( -0.093 0.000 -4.942) 4.943 2.061 ( -0.736 0.000 2.848) 2.942 2.094 ( 4.443 -0.000 -3.286) 5.526 2.272 ( -2.478 0.000 -0.763) 2.593 2.332 ( -1.181 0.000 -1.642) 2.023 2.600 ( 3.331 -0.000 -2.997) 4.481 2.805 ( -6.830 0.000 -5.210) 8.590 2.864 ( 1.267 -0.000 1.765) 2.173 2.901 ( -1.673 0.000 -2.802) 3.264 3.009 ( -0.717 0.000 2.459) 2.562 3.135 ( -0.488 0.000 -0.594) 0.769 3.230 ( 3.015 -0.000 3.597) 4.694 3.300 ( 0.552 -0.000 1.200) 1.320 3.644 ( 0.819 -0.000 0.758) 1.116 3.768 ( -0.520 0.000 -1.409) 1.502 4.406 ( -5.082 0.000 -32.098) 32.497 4.558 ( -0.111 0.000 -1.658) 1.661 4.698 ( -0.915 0.000 0.613) 1.101 4.874 ( -2.024 0.000 0.982) 2.250 5.123 ( -14.438 0.000 -7.424) 16.235 5.383 ( 22.226 -0.000 26.691) 34.733 5.597 ( 1.799 -0.000 0.784) 1.962 6.009 ( -2.793 0.000 -1.058) 2.987 6.036 ( -0.031 0.000 3.554) 3.554 8.095 ( -6.358 0.000 2.023) 6.672 8.356 ( -2.014 0.000 -1.077) 2.283 9.731 ( 25.481 -0.000 25.892) 36.328 9.773 ( 6.901 -0.000 -2.610) 7.378 10.618 ( 2.600 -0.000 -0.170) 2.606 10.937 ( 6.033 -0.000 2.344) 6.472 11.341 ( -2.171 0.000 0.845) 2.329 11.636 ( -0.975 0.000 0.886) 1.318 15.377 ( 1.186 -0.000 0.374) 1.243 15.448 ( 3.377 -0.000 -2.818) 4.399 16.483 ( -4.662 0.000 2.472) 5.277 16.657 ( -27.347 0.000 -26.007) 37.739 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.585 0.000 9.036) 9.054 0.672 ( 5.008 -0.000 7.922) 9.372 0.697 ( -1.248 0.000 0.532) 1.357 0.971 ( -3.813 0.000 -11.915) 12.510 1.081 ( 7.296 -0.000 15.008) 16.688 1.251 ( -6.334 0.000 -3.880) 7.428 1.320 ( -0.752 0.000 7.788) 7.824 1.437 ( -2.577 0.000 5.927) 6.463 1.484 ( 0.412 -0.000 2.354) 2.390 1.545 ( -0.088 0.000 -4.080) 4.081 1.559 ( 4.048 -0.000 -0.547) 4.085 1.596 ( -1.416 0.000 -8.258) 8.379 1.973 ( 3.836 -0.000 -0.343) 3.851 1.977 ( -2.730 0.000 -2.958) 4.025 2.041 ( 3.813 -0.000 5.940) 7.058 2.242 ( -3.666 0.000 -7.979) 8.781 2.300 ( 1.616 -0.000 1.687) 2.336 2.355 ( -3.879 0.000 -5.222) 6.505 2.675 ( 3.388 -0.000 2.447) 4.179 2.754 ( -4.277 0.000 -4.313) 6.074 3.026 ( 1.838 -0.000 1.785) 2.563 3.029 ( -1.116 0.000 1.020) 1.512 3.193 ( 3.378 -0.000 2.589) 4.257 3.250 ( -3.190 0.000 -2.319) 3.944 3.406 ( 2.660 -0.000 2.689) 3.782 3.464 ( -4.094 0.000 -2.806) 4.963 3.789 ( 3.082 -0.000 6.698) 7.373 3.928 ( -6.220 0.000 -5.495) 8.299 4.579 ( 3.271 -0.000 0.938) 3.402 4.610 ( -3.880 0.000 -1.840) 4.295 4.923 ( 2.594 -0.000 1.685) 3.093 4.948 ( -3.008 0.000 -0.566) 3.061 5.712 ( 1.761 -0.000 4.335) 4.679 5.818 ( -0.087 0.000 -5.068) 5.068 6.042 ( -6.871 0.000 1.220) 6.979 6.062 ( 10.740 -0.000 -0.460) 10.750 8.136 ( -0.184 0.000 4.882) 4.886 8.243 ( 0.165 -0.000 -4.576) 4.579 9.857 ( 6.426 -0.000 0.117) 6.427 9.865 ( -12.016 0.000 -0.575) 12.029 10.745 ( 4.490 -0.000 4.036) 6.037 10.841 ( -5.481 0.000 -4.588) 7.147 11.503 ( 4.819 -0.000 3.226) 5.799 11.566 ( -3.968 0.000 -2.412) 4.643 15.439 ( 0.830 -0.000 1.900) 2.074 15.478 ( -0.273 0.000 -1.524) 1.548 16.378 ( 9.753 -0.000 0.942) 9.798 16.398 ( -5.833 0.000 -0.873) 5.898 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 3.056 -3.348 7.618) 8.865 0.696 ( 0.923 0.959 8.501) 8.605 0.731 ( 5.125 -1.612 -0.315) 5.381 0.855 ( -3.298 3.805 -10.489) 11.635 1.225 ( -4.176 -3.404 -2.854) 6.097 1.283 ( 4.993 -3.145 1.577) 6.108 1.349 ( -0.014 -4.881 11.335) 12.342 1.424 ( -0.442 -0.791 6.869) 6.928 1.486 ( -0.310 0.348 2.319) 2.365 1.498 ( 0.309 2.846 -1.825) 3.395 1.570 ( 0.931 -0.311 -6.255) 6.331 1.623 ( 1.305 -1.882 -3.186) 3.924 1.978 ( -3.016 -2.476 -3.209) 5.052 2.019 ( 3.509 -1.860 -0.711) 4.035 2.132 ( 2.818 -3.021 7.533) 8.591 2.193 ( -3.919 -2.487 -7.305) 8.655 2.340 ( 0.621 -1.635 0.144) 1.755 2.358 ( -0.037 -3.509 -2.752) 4.460 2.636 ( -1.990 6.075 -1.706) 6.617 2.660 ( 2.810 5.151 0.716) 5.911 3.030 ( -1.128 0.602 1.320) 1.838 3.068 ( 0.367 -0.369 -1.060) 1.181 3.104 ( -1.422 7.101 -0.007) 7.243 3.139 ( 2.765 6.491 0.410) 7.067 3.515 ( -0.528 -5.047 -0.608) 5.111 3.535 ( 3.884 -6.168 2.126) 7.593 3.846 ( 0.276 -3.019 7.334) 7.936 3.867 ( -9.581 -3.451 -4.363) 11.078 4.543 ( -3.973 2.613 -1.249) 4.917 4.589 ( 3.161 2.527 1.139) 4.204 4.937 ( 0.603 -0.117 -0.757) 0.975 4.969 ( 4.988 -0.411 1.730) 5.295 5.727 ( 0.742 0.896 3.612) 3.795 5.782 ( -1.674 1.357 -5.556) 5.960 5.944 ( -6.518 2.847 -0.286) 7.119 6.076 ( 7.672 6.734 0.208) 10.210 8.168 ( 1.944 -0.919 4.524) 5.009 8.245 ( 0.968 -0.609 -3.912) 4.076 9.579 ( -10.561 12.076 7.697) 17.794 9.785 ( 2.220 10.720 -2.485) 11.226 10.798 ( -5.871 -3.221 -2.480) 7.141 10.846 ( 4.419 -4.394 3.291) 7.048 11.719 ( 5.408 -15.660 8.633) 18.682 11.771 ( -9.354 -20.705 -12.513) 25.938 15.427 ( -3.057 1.346 0.126) 3.342 15.467 ( 0.067 -0.256 -0.505) 0.570 16.359 ( -1.835 0.114 -1.056) 2.121 16.502 ( 13.659 -0.907 -1.534) 13.775 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 1.595 -3.261 2.855) 4.618 0.747 ( 0.919 -2.976 5.854) 6.631 0.804 ( 1.883 -3.458 -2.823) 4.845 0.841 ( 5.010 -4.764 -0.392) 6.924 1.197 ( -3.967 1.696 -1.848) 4.693 1.302 ( -0.673 -1.841 -1.678) 2.580 1.405 ( -0.296 1.692 4.015) 4.368 1.432 ( 1.025 1.580 1.181) 2.223 1.512 ( 1.414 -0.770 4.810) 5.072 1.549 ( 0.486 0.685 -5.310) 5.376 1.615 ( 4.566 -7.120 4.723) 9.688 1.646 ( 0.150 -0.987 -4.230) 4.346 1.956 ( -3.988 0.071 -5.058) 6.441 2.079 ( 2.639 -0.562 -0.178) 2.704 2.191 ( -1.890 -2.086 1.174) 3.050 2.262 ( 1.505 -3.269 3.580) 5.076 2.383 ( -0.072 -3.621 2.729) 4.535 2.447 ( 0.705 -5.922 -3.906) 7.129 2.518 ( -0.217 3.332 -1.393) 3.618 2.600 ( 4.069 4.103 -0.210) 5.782 2.881 ( -5.610 6.317 -4.262) 9.463 3.033 ( 1.532 2.213 2.986) 4.020 3.063 ( 0.334 3.490 -0.726) 3.581 3.097 ( 2.393 0.617 1.456) 2.868 3.560 ( -0.403 -0.336 0.529) 0.745 3.673 ( 4.856 -2.259 2.870) 6.077 3.867 ( -9.356 -7.145 -4.745) 12.693 3.960 ( 0.302 -7.028 6.086) 9.302 4.442 ( -3.327 4.117 -0.126) 5.294 4.544 ( 2.342 5.308 0.529) 5.826 4.952 ( 2.102 -0.264 -1.158) 2.415 5.031 ( 5.555 -0.376 1.730) 5.831 5.683 ( -4.403 2.310 -2.630) 5.625 5.735 ( -0.660 1.212 -2.079) 2.496 5.849 ( -2.274 1.907 -1.131) 3.176 6.009 ( 5.181 6.465 3.072) 8.836 8.209 ( 1.016 -0.864 1.444) 1.966 8.263 ( 2.239 -0.217 0.425) 2.289 9.368 ( -4.690 5.247 6.554) 9.617 9.575 ( -0.588 10.053 -4.873) 11.187 10.807 ( -7.139 -5.160 -4.055) 9.697 11.032 ( 8.345 -6.998 7.424) 13.181 11.968 ( -13.516 -15.431 -15.869) 25.935 12.089 ( 2.807 -15.022 11.076) 18.874 15.348 ( -4.480 2.516 -1.190) 5.274 15.482 ( 0.190 -1.037 0.275) 1.090 16.347 ( 0.599 0.614 -0.467) 0.977 16.642 ( 11.922 -1.385 -1.233) 12.066 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.350 -2.595 1.313) 2.929 0.867 ( 1.645 -6.954 1.551) 7.312 0.931 ( 1.948 -7.426 0.710) 7.710 1.004 ( 5.198 -6.755 1.131) 8.598 1.127 ( -3.136 1.179 -1.741) 3.776 1.311 ( -0.409 1.529 1.877) 2.456 1.352 ( -1.490 0.905 -0.487) 1.810 1.438 ( 1.340 2.475 3.980) 4.875 1.516 ( -0.114 1.414 -1.775) 2.272 1.549 ( 3.143 0.674 4.825) 5.798 1.643 ( -0.234 -0.577 -3.941) 3.990 1.747 ( 2.787 -2.398 -1.875) 4.127 1.909 ( -2.561 -0.322 -4.311) 5.025 2.072 ( -4.751 1.323 -5.265) 7.214 2.172 ( 4.070 2.571 4.364) 6.498 2.273 ( 2.048 3.769 6.265) 7.593 2.458 ( -0.824 -2.530 1.785) 3.204 2.532 ( -0.896 -3.501 -4.406) 5.698 2.579 ( 1.333 -7.231 2.313) 7.708 2.589 ( 3.835 1.796 -0.638) 4.283 2.763 ( -5.921 -2.007 -6.177) 8.788 2.973 ( -2.474 3.375 -2.062) 4.665 3.013 ( 0.242 3.389 2.328) 4.118 3.171 ( 7.407 -3.414 6.199) 10.244 3.545 ( 0.065 1.195 0.148) 1.206 3.708 ( 1.085 1.261 1.545) 2.270 3.909 ( -7.587 -6.043 -5.630) 11.216 4.117 ( 1.966 -6.123 4.466) 7.829 4.343 ( -2.003 3.436 1.119) 4.132 4.446 ( 1.224 6.626 -0.173) 6.740 4.974 ( 1.982 -0.213 -1.117) 2.285 5.089 ( 4.326 -0.371 1.497) 4.593 5.588 ( -4.839 1.762 -3.945) 6.487 5.700 ( -0.938 0.757 -2.562) 2.831 5.825 ( 0.507 0.422 0.540) 0.852 5.955 ( 3.046 4.349 3.300) 6.252 8.228 ( -0.863 -1.186 -0.376) 1.514 8.287 ( 3.312 1.057 2.918) 4.539 9.295 ( -1.351 1.741 2.056) 3.014 9.408 ( -1.467 5.413 -3.467) 6.593 10.826 ( -6.106 -4.337 -3.824) 8.410 11.275 ( 10.710 -6.692 9.809) 15.991 12.017 ( -14.077 -8.029 -14.491) 21.740 12.356 ( 1.147 -9.181 8.259) 12.402 15.263 ( -3.301 2.090 -0.901) 4.010 15.506 ( 0.026 -1.198 0.378) 1.257 16.341 ( 0.973 0.747 -0.196) 1.242 16.757 ( 7.764 -1.121 -0.388) 7.854 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.150 -1.460 -0.217) 1.484 1.002 ( 1.798 -4.618 -0.585) 4.990 1.084 ( -0.112 -2.783 1.026) 2.968 1.090 ( -1.050 -1.664 0.179) 1.976 1.154 ( -0.141 -5.199 1.704) 5.473 1.282 ( -0.568 0.589 3.560) 3.653 1.329 ( -1.142 1.771 5.326) 5.727 1.389 ( 0.628 0.732 -4.246) 4.354 1.468 ( -0.250 2.872 0.260) 2.894 1.594 ( 6.264 0.633 5.469) 8.340 1.649 ( 1.540 0.196 -5.578) 5.790 1.754 ( 0.423 1.536 -3.040) 3.432 1.893 ( -1.367 0.387 -0.611) 1.546 1.950 ( -6.513 1.849 -5.167) 8.517 2.220 ( 3.085 -1.385 3.274) 4.707 2.265 ( 2.627 0.361 4.972) 5.635 2.459 ( -1.806 1.325 -1.299) 2.590 2.555 ( -1.813 -2.933 -1.396) 3.720 2.618 ( 3.803 -0.796 -0.139) 3.888 2.701 ( 0.679 -4.097 2.439) 4.816 2.753 ( -3.765 -0.207 -5.037) 6.292 2.877 ( -1.488 4.331 -1.263) 4.750 2.968 ( -0.549 0.452 0.073) 0.715 3.350 ( 6.326 -5.023 7.493) 11.018 3.535 ( 2.305 0.823 0.358) 2.473 3.690 ( -1.090 0.100 0.065) 1.096 3.882 ( -7.243 0.181 -6.305) 9.604 4.201 ( 1.446 -0.272 0.888) 1.718 4.317 ( -0.002 -1.354 2.273) 2.645 4.353 ( 0.372 3.123 0.168) 3.150 4.987 ( 0.932 0.174 -0.690) 1.173 5.128 ( 1.747 -0.306 1.120) 2.098 5.516 ( -2.248 1.654 -2.011) 3.440 5.681 ( -0.130 0.325 -1.812) 1.845 5.830 ( -0.226 -0.566 0.268) 0.666 5.925 ( 1.339 1.727 2.430) 3.268 8.237 ( -1.658 -0.945 0.090) 1.911 8.302 ( 2.832 0.936 2.010) 3.597 9.261 ( -1.293 1.092 -1.319) 2.146 9.336 ( 0.142 1.278 -0.280) 1.316 10.829 ( -3.817 -1.820 -2.779) 5.060 11.504 ( 12.154 -3.090 11.215) 16.824 11.941 ( -13.248 -1.314 -12.525) 18.279 12.504 ( 1.824 -3.887 3.618) 5.615 15.213 ( -1.188 0.723 -0.450) 1.462 15.524 ( 0.103 -0.464 0.432) 0.643 16.337 ( 0.239 0.240 -0.166) 0.377 16.819 ( 2.687 -0.327 -0.078) 2.708 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.485 -0.947 -1.618) 1.936 0.988 ( -3.930 4.314 0.054) 5.836 1.082 ( 0.656 -0.009 0.018) 0.656 1.120 ( -0.635 1.244 -0.350) 1.440 1.181 ( -2.292 5.745 2.992) 6.871 1.194 ( -1.641 0.784 4.290) 4.660 1.341 ( -1.308 -0.086 -0.286) 1.341 1.418 ( 0.879 -0.879 3.334) 3.558 1.515 ( 3.799 -6.724 -3.395) 8.437 1.593 ( 1.007 1.732 -3.979) 4.455 1.685 ( 2.511 -1.916 0.644) 3.224 1.726 ( -0.806 0.773 -1.339) 1.744 1.862 ( -0.875 -0.293 1.416) 1.690 1.883 ( -2.547 1.713 -1.011) 3.232 2.263 ( -0.670 -1.465 -0.518) 1.692 2.318 ( 2.787 -1.495 2.886) 4.282 2.441 ( -1.242 -2.762 -2.231) 3.761 2.560 ( 0.115 4.185 0.978) 4.299 2.626 ( -0.448 1.151 -2.246) 2.564 2.685 ( -1.791 2.678 -1.862) 3.721 2.760 ( 2.198 0.461 0.179) 2.253 2.815 ( 0.405 -0.528 3.014) 3.087 2.986 ( -1.457 -2.992 -1.548) 3.671 3.450 ( 0.859 -0.568 -0.304) 1.073 3.530 ( 3.049 4.197 2.462) 5.742 3.691 ( -3.472 -1.575 -1.856) 4.241 3.807 ( -0.552 -0.307 -0.241) 0.677 4.207 ( 2.677 1.369 0.127) 3.010 4.344 ( -0.837 -2.573 0.512) 2.754 4.357 ( -0.602 -1.942 -0.567) 2.111 4.980 ( -0.400 0.722 -0.080) 0.829 5.135 ( -1.784 -0.131 0.563) 1.875 5.473 ( 1.336 2.297 1.521) 3.062 5.670 ( 0.899 0.995 -0.751) 1.537 5.840 ( -1.597 -1.509 -0.625) 2.284 5.934 ( -0.170 -1.641 1.468) 2.208 8.230 ( -2.143 -0.081 0.680) 2.250 8.321 ( 1.544 -0.524 0.439) 1.689 9.232 ( -0.974 0.434 0.827) 1.349 9.346 ( 1.454 -1.403 -0.971) 2.242 10.810 ( -0.712 1.023 -1.014) 1.607 11.656 ( 11.619 2.137 11.000) 16.142 11.763 ( -10.936 4.900 -9.958) 15.582 12.561 ( 3.808 0.813 -1.417) 4.144 15.212 ( 0.927 -0.732 -0.328) 1.226 15.524 ( 0.324 0.775 0.413) 0.937 16.337 ( -0.875 -0.596 -0.161) 1.071 16.818 ( -2.409 0.477 -0.054) 2.457 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.876 2.002 -1.057) 2.941 0.844 ( -3.594 6.992 0.472) 7.876 1.001 ( -5.893 4.427 0.324) 7.378 1.034 ( -1.745 5.404 -4.342) 7.149 1.111 ( 2.548 -0.804 -0.516) 2.721 1.223 ( -0.379 -0.919 6.922) 6.993 1.328 ( -0.432 0.069 1.175) 1.254 1.453 ( 0.382 -0.906 1.925) 2.161 1.532 ( -1.128 2.150 2.084) 3.200 1.642 ( -1.944 -0.001 -7.077) 7.339 1.678 ( -1.461 1.688 -0.880) 2.400 1.733 ( 1.780 -3.884 -4.069) 5.900 1.806 ( 0.315 4.292 3.376) 5.470 1.940 ( 4.194 -2.914 5.797) 7.726 2.280 ( -2.900 -3.567 -4.379) 6.349 2.375 ( 1.925 -0.057 0.017) 1.926 2.426 ( 2.724 7.022 5.352) 9.240 2.499 ( -3.848 -2.423 -4.197) 6.188 2.609 ( -3.500 -1.923 -2.948) 4.964 2.612 ( -0.213 2.484 -0.768) 2.609 2.733 ( 1.648 1.829 -3.027) 3.901 2.893 ( 3.123 -3.197 4.976) 6.688 3.036 ( -0.349 -3.214 -0.344) 3.252 3.326 ( -5.289 6.870 -7.039) 11.167 3.540 ( 1.616 -1.112 1.387) 2.402 3.701 ( 2.265 -0.012 3.044) 3.795 3.833 ( -0.528 -0.658 -0.064) 0.846 4.175 ( 2.504 5.421 -0.951) 6.047 4.384 ( 0.052 -3.041 -2.497) 3.935 4.434 ( -1.391 -6.837 0.959) 7.042 4.955 ( -1.341 1.044 0.592) 1.799 5.105 ( -5.012 -0.189 0.086) 5.016 5.473 ( 5.157 1.640 5.958) 8.049 5.662 ( 1.932 1.103 0.865) 2.387 5.853 ( -2.665 -2.344 -1.845) 4.000 5.982 ( -1.392 -3.696 0.650) 4.003 8.205 ( -2.439 0.701 1.493) 2.945 8.343 ( -0.628 -1.113 -1.506) 1.975 9.248 ( 0.598 -2.101 5.010) 5.466 9.408 ( 2.381 -4.021 -2.648) 5.371 10.776 ( 1.974 3.139 0.770) 3.788 11.500 ( -11.112 8.266 -10.450) 17.349 11.709 ( 12.967 8.639 13.328) 20.504 12.531 ( 5.590 6.356 -7.213) 11.121 15.253 ( 2.857 -1.781 -0.100) 3.367 15.506 ( 0.577 1.560 0.318) 1.693 16.341 ( -1.935 -1.216 -0.170) 2.292 16.756 ( -7.196 1.467 -0.318) 7.351 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -3.249 8.549 3.971) 9.971 0.712 ( -3.107 4.885 2.389) 6.263 0.863 ( -5.649 4.086 -2.220) 7.317 0.978 ( -3.643 -2.832 -8.987) 10.102 1.161 ( 4.041 0.189 1.188) 4.217 1.236 ( 0.712 0.403 2.890) 3.003 1.326 ( 0.985 2.305 7.956) 8.342 1.458 ( -2.811 0.062 0.242) 2.822 1.482 ( -0.779 2.156 8.661) 8.959 1.561 ( -0.349 3.103 -3.684) 4.829 1.642 ( -3.298 -0.025 -4.612) 5.670 1.694 ( -0.551 3.372 -1.518) 3.739 1.866 ( 5.078 -2.198 0.886) 5.604 2.007 ( 3.444 0.809 3.599) 5.047 2.256 ( -3.602 4.197 -1.182) 5.656 2.319 ( -1.463 4.958 0.296) 5.178 2.393 ( 1.556 -2.109 -2.208) 3.427 2.490 ( 1.154 6.879 -3.389) 7.755 2.544 ( -3.662 -4.229 -5.298) 7.705 2.636 ( -4.068 -5.913 -3.316) 7.906 2.820 ( 2.937 -7.781 0.917) 8.367 2.989 ( 3.783 -1.854 4.344) 6.051 3.080 ( -0.122 -1.479 -0.204) 1.498 3.171 ( -5.116 1.685 -4.624) 7.099 3.557 ( 1.210 1.688 0.871) 2.252 3.720 ( 2.869 1.900 4.401) 5.587 3.795 ( -5.260 1.794 -4.405) 7.092 4.066 ( 2.965 6.842 -3.272) 8.143 4.453 ( 1.838 -3.472 -1.155) 4.095 4.551 ( -2.119 -6.524 0.057) 6.859 4.925 ( -1.290 0.865 1.221) 1.975 5.055 ( -6.765 -0.363 -0.293) 6.781 5.554 ( 8.190 -1.842 8.603) 12.019 5.679 ( 3.839 0.050 3.445) 5.158 5.867 ( -3.095 -2.680 -2.690) 4.899 6.039 ( -2.653 -4.053 0.162) 4.847 8.172 ( -2.372 0.872 2.797) 3.770 8.329 ( -2.714 0.441 -3.363) 4.344 9.372 ( 2.025 -8.680 8.660) 12.427 9.535 ( 3.595 -7.833 -3.780) 9.411 10.739 ( 3.509 3.827 2.017) 5.570 11.211 ( -9.049 9.428 -8.485) 15.581 11.654 ( 11.364 12.739 12.705) 21.280 12.363 ( 4.723 15.118 -13.794) 21.004 15.326 ( 4.329 -2.220 0.610) 4.903 15.484 ( 0.878 1.455 0.112) 1.703 16.341 ( -2.416 -0.992 -0.068) 2.612 16.631 ( -10.540 2.645 -0.430) 10.875 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -2.271 2.805 10.322) 10.935 0.624 ( -0.882 2.475 8.361) 8.764 0.747 ( -3.482 2.466 -4.393) 6.124 0.987 ( -4.055 -4.206 -11.535) 12.930 1.107 ( 5.121 9.279 8.585) 13.639 1.282 ( 1.402 -1.609 1.647) 2.696 1.315 ( -1.799 0.592 9.600) 9.785 1.440 ( -3.140 -0.429 6.077) 6.854 1.473 ( 0.139 0.643 2.060) 2.163 1.525 ( 0.843 0.069 -3.063) 3.177 1.583 ( -2.552 1.210 -3.979) 4.879 1.642 ( -0.109 1.540 -5.721) 5.926 1.931 ( 4.986 0.452 3.279) 5.984 2.014 ( 1.895 1.344 0.042) 2.323 2.098 ( -2.736 6.902 -2.641) 7.880 2.255 ( -0.771 0.375 -0.120) 0.866 2.356 ( -0.762 5.126 -2.335) 5.684 2.417 ( -2.681 -0.503 -8.039) 8.489 2.604 ( 0.280 -4.096 -0.270) 4.115 2.719 ( -3.320 -6.827 -3.496) 8.357 2.999 ( 2.026 -5.202 2.728) 6.213 3.039 ( 2.332 0.955 2.581) 3.607 3.099 ( 0.450 -2.554 -0.170) 2.599 3.169 ( -2.778 -6.132 -1.440) 6.884 3.490 ( 0.855 6.497 1.709) 6.772 3.614 ( -9.232 5.670 -5.123) 11.984 3.750 ( 5.585 2.031 5.594) 8.162 3.991 ( 0.099 2.262 -5.777) 6.205 4.528 ( 2.782 -2.179 0.112) 3.535 4.618 ( -3.171 -3.281 -1.368) 4.764 4.911 ( 0.047 0.357 1.573) 1.614 4.995 ( -6.313 -0.037 -0.546) 6.336 5.670 ( 2.956 -1.413 4.371) 5.463 5.782 ( 8.572 -2.142 1.514) 8.964 5.906 ( 1.174 -5.077 1.091) 5.324 6.072 ( -4.163 -2.505 0.384) 4.874 8.145 ( -1.942 0.814 4.250) 4.743 8.274 ( -2.085 1.223 -4.257) 4.896 9.642 ( 2.789 -14.280 5.085) 15.412 9.748 ( 1.420 -12.627 -1.907) 12.849 10.719 ( 4.461 2.669 3.080) 6.042 10.966 ( -6.593 6.412 -5.901) 10.927 11.536 ( 8.251 11.462 9.286) 16.902 11.957 ( -1.410 25.416 -13.989) 29.045 15.405 ( 3.433 -1.467 1.478) 4.015 15.474 ( 1.309 0.518 -0.651) 1.551 16.335 ( 0.355 0.305 1.041) 1.141 16.486 ( -9.428 1.976 0.095) 9.633 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 5.827 -0.000 6.483) 8.717 0.707 ( 3.705 -0.000 -3.426) 5.046 0.831 ( 4.332 -0.000 10.106) 10.996 0.856 ( -2.040 0.000 -10.516) 10.712 1.108 ( -3.602 0.000 -5.258) 6.373 1.288 ( 4.039 -0.000 14.572) 15.121 1.355 ( 2.625 -0.000 -0.796) 2.743 1.396 ( -5.153 0.000 6.499) 8.294 1.502 ( -3.123 0.000 -5.761) 6.553 1.518 ( 2.949 -0.000 5.450) 6.197 1.568 ( 3.348 -0.000 -6.183) 7.031 1.625 ( 2.750 -0.000 -1.150) 2.980 1.923 ( -2.124 0.000 -2.275) 3.112 2.014 ( 2.801 -0.000 -0.772) 2.905 2.087 ( -6.316 0.000 -10.309) 12.090 2.180 ( 5.146 -0.000 9.798) 11.067 2.319 ( 0.942 -0.000 -1.751) 1.988 2.346 ( 1.870 -0.000 1.636) 2.485 2.671 ( -1.796 0.000 -2.354) 2.961 2.755 ( 2.831 -0.000 2.989) 4.117 3.014 ( -0.851 0.000 0.004) 0.851 3.065 ( 1.825 -0.000 0.122) 1.829 3.173 ( -3.512 0.000 -2.719) 4.441 3.268 ( 3.029 -0.000 2.407) 3.869 3.436 ( -0.185 0.000 -3.758) 3.763 3.517 ( 7.987 -0.000 4.525) 9.180 3.727 ( -10.599 0.000 -1.611) 10.720 3.816 ( -3.932 0.000 6.471) 7.572 4.525 ( -4.124 0.000 -0.894) 4.220 4.647 ( 3.309 -0.000 1.475) 3.623 4.954 ( 3.245 -0.000 -1.409) 3.538 5.025 ( 6.313 -0.000 2.611) 6.832 5.736 ( -2.742 0.000 0.933) 2.896 5.767 ( -1.615 0.000 -5.995) 6.208 5.910 ( -5.292 0.000 1.126) 5.411 6.205 ( 5.327 -0.000 -3.761) 6.521 8.206 ( 5.262 -0.000 4.417) 6.870 8.241 ( 1.212 -0.000 -3.479) 3.684 9.601 ( -15.113 0.000 6.165) 16.322 9.906 ( -2.666 0.000 1.986) 3.324 10.702 ( -6.822 0.000 -3.525) 7.679 10.838 ( 2.672 -0.000 4.873) 5.558 11.468 ( -4.622 0.000 -3.646) 5.887 11.603 ( 4.506 -0.000 2.539) 5.172 15.413 ( -4.535 0.000 0.460) 4.558 15.442 ( -1.496 0.000 -2.294) 2.739 16.380 ( 5.127 -0.000 -0.153) 5.130 16.622 ( 14.216 -0.000 -4.911) 15.041 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 3.508 -0.212 1.314) 3.752 0.734 ( 1.414 0.078 -4.962) 5.160 0.817 ( 4.862 -1.927 0.555) 5.259 0.854 ( 3.202 1.729 7.469) 8.308 1.145 ( 0.095 -3.345 -2.576) 4.223 1.275 ( -3.260 2.873 -0.861) 4.430 1.395 ( -0.453 -3.675 6.152) 7.181 1.451 ( -1.705 1.034 -3.628) 4.140 1.482 ( -0.534 -5.789 4.786) 7.530 1.570 ( 2.710 0.893 -2.553) 3.829 1.593 ( 7.187 -1.475 2.087) 7.628 1.635 ( 1.018 0.242 -1.985) 2.244 1.903 ( -2.968 -0.514 -3.565) 4.668 2.021 ( -5.034 -1.883 -6.973) 8.804 2.108 ( 3.389 -5.965 2.286) 7.232 2.255 ( 4.162 -0.984 6.683) 7.934 2.360 ( 0.565 0.265 0.711) 0.946 2.369 ( 2.022 -3.657 -0.859) 4.266 2.609 ( 0.523 4.872 -0.174) 4.903 2.729 ( 2.974 4.890 2.055) 6.081 2.987 ( -1.991 6.046 -1.038) 6.449 3.043 ( -2.284 2.525 -2.603) 4.286 3.101 ( 0.453 0.199 0.157) 0.519 3.192 ( 1.322 5.948 1.045) 6.183 3.516 ( -1.130 -6.255 -2.890) 6.983 3.659 ( -2.666 -3.293 1.598) 4.528 3.681 ( 2.956 -3.166 3.508) 5.574 3.834 ( -3.762 -5.932 4.465) 8.323 4.467 ( -3.641 2.150 0.194) 4.233 4.652 ( 2.877 3.152 1.157) 4.422 4.980 ( 4.030 0.445 -1.784) 4.429 5.089 ( 5.562 0.068 2.718) 6.191 5.662 ( -6.583 2.015 -5.123) 8.581 5.731 ( -1.914 0.500 -4.934) 5.316 5.876 ( 0.070 1.477 3.586) 3.879 6.173 ( 3.174 5.613 -1.858) 6.711 8.218 ( 0.646 1.226 -0.157) 1.395 8.299 ( 6.320 -1.042 3.036) 7.089 9.429 ( -8.414 5.243 6.810) 12.028 9.742 ( -5.970 10.595 -2.389) 12.394 10.662 ( -6.028 -3.097 -2.069) 7.086 10.967 ( 3.777 -8.626 5.599) 10.955 11.532 ( -8.570 -12.017 -8.730) 17.148 11.826 ( 1.936 -15.740 5.535) 16.796 15.347 ( -4.663 1.715 -1.192) 5.109 15.437 ( -2.260 -1.381 -1.341) 2.968 16.427 ( 8.166 2.414 1.451) 8.638 16.732 ( 11.519 -0.304 -4.641) 12.422 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 1.446 -3.549 -1.700) 4.192 0.803 ( 4.097 -3.398 3.994) 6.655 0.890 ( 3.054 -0.798 3.335) 4.592 0.958 ( 7.163 -4.479 2.703) 8.870 1.114 ( -3.745 1.800 -1.642) 4.468 1.280 ( -0.283 -2.679 0.079) 2.695 1.380 ( -1.826 2.477 -0.827) 3.186 1.475 ( 0.850 -1.657 3.160) 3.668 1.543 ( 1.281 1.469 -4.320) 4.739 1.582 ( 2.723 -2.332 5.696) 6.730 1.627 ( -0.128 0.339 -1.739) 1.777 1.705 ( 3.161 -3.340 -1.123) 4.734 1.865 ( -2.633 -0.102 -5.613) 6.201 1.999 ( -5.817 -2.021 -5.048) 7.963 2.271 ( 4.647 -1.350 4.384) 6.530 2.303 ( -0.487 -2.440 4.276) 4.947 2.377 ( 0.400 -2.059 -2.476) 3.245 2.468 ( 1.020 -5.405 0.374) 5.513 2.530 ( 2.193 3.839 2.276) 4.972 2.683 ( 4.454 3.507 1.261) 5.807 2.787 ( -2.850 9.116 -1.266) 9.635 2.986 ( -3.157 1.494 -3.234) 4.760 3.069 ( -0.638 2.390 1.051) 2.688 3.195 ( 4.426 -1.738 3.324) 5.802 3.561 ( -1.167 -0.613 -1.756) 2.196 3.667 ( -5.825 -3.625 -1.726) 7.074 3.768 ( -0.034 -2.849 3.217) 4.297 4.007 ( 3.243 -9.014 3.105) 10.071 4.387 ( -2.631 3.216 1.599) 4.452 4.586 ( 1.797 6.391 0.230) 6.643 5.001 ( 3.632 0.692 -1.779) 4.103 5.132 ( 3.202 0.428 2.152) 3.882 5.556 ( -4.643 1.421 -6.586) 8.182 5.690 ( -1.901 0.495 -4.482) 4.894 5.866 ( 1.797 1.798 3.766) 4.544 6.084 ( 2.061 5.841 0.672) 6.230 8.204 ( -1.200 -0.029 1.553) 1.963 8.367 ( 6.625 1.451 2.641) 7.278 9.321 ( -2.820 2.549 2.140) 4.362 9.494 ( -5.342 7.799 -3.780) 10.181 10.685 ( -4.439 -4.731 -0.870) 6.545 11.225 ( 7.124 -11.203 7.906) 15.452 11.643 ( -12.270 -12.207 -12.028) 21.077 12.140 ( -1.636 -15.037 5.981) 16.266 15.272 ( -2.872 1.971 -1.076) 3.646 15.443 ( -3.465 -2.384 -0.545) 4.241 16.442 ( 8.156 4.305 1.263) 9.308 16.817 ( 7.499 0.000 -2.237) 7.826 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 4.391 -1.479 2.150) 5.108 0.941 ( 4.953 -5.320 1.733) 7.472 0.966 ( 1.048 -5.910 2.829) 6.635 1.062 ( -1.617 -0.937 -0.657) 1.981 1.100 ( 2.412 -2.961 0.557) 3.860 1.290 ( -1.994 0.896 3.057) 3.758 1.338 ( 0.254 0.089 -0.903) 0.942 1.451 ( -0.181 4.456 -0.698) 4.514 1.527 ( 0.482 2.978 2.295) 3.791 1.610 ( -1.629 -2.639 -2.071) 3.729 1.670 ( 5.190 0.180 5.425) 7.510 1.760 ( 0.981 -1.473 -5.720) 5.987 1.860 ( -0.653 -1.999 -3.122) 3.764 1.933 ( -5.466 2.224 -4.322) 7.315 2.254 ( 1.026 2.120 2.608) 3.514 2.334 ( 0.825 3.570 3.504) 5.070 2.421 ( -3.739 -7.611 -1.494) 8.610 2.496 ( -0.556 3.617 -0.196) 3.665 2.583 ( 0.068 -4.089 0.345) 4.104 2.659 ( 0.245 0.886 -0.925) 1.304 2.716 ( 3.961 -1.432 1.873) 4.609 2.921 ( -1.132 2.537 -3.271) 4.291 3.023 ( 0.258 2.678 1.758) 3.214 3.321 ( 5.019 -5.302 4.932) 8.811 3.536 ( -3.492 -0.177 -2.746) 4.446 3.673 ( -0.789 -1.004 0.543) 1.388 3.808 ( -2.541 -1.818 -0.678) 3.197 4.170 ( 1.741 -4.611 -0.695) 4.977 4.329 ( -0.168 1.580 3.800) 4.118 4.464 ( 0.885 7.304 -0.162) 7.359 5.011 ( 2.526 1.013 -1.390) 3.056 5.142 ( 0.035 0.542 1.321) 1.428 5.503 ( -0.937 -0.084 -4.682) 4.775 5.663 ( -1.432 -0.473 -3.191) 3.530 5.856 ( 1.441 1.956 3.019) 3.875 6.005 ( 1.266 4.523 1.201) 4.848 8.205 ( -1.830 -0.829 2.796) 3.443 8.378 ( 4.752 3.131 0.026) 5.691 9.263 ( -2.339 1.414 -1.761) 3.251 9.364 ( -1.536 2.414 -0.586) 2.920 10.741 ( -1.938 -4.300 0.274) 4.724 11.528 ( 10.056 -9.576 9.916) 17.063 11.681 ( -13.401 -7.927 -12.684) 20.082 12.371 ( -2.420 -10.668 2.997) 11.342 15.223 ( -0.688 1.235 -0.399) 1.469 15.457 ( -4.443 -3.167 -0.160) 5.459 16.432 ( 7.557 4.814 0.736) 8.990 16.850 ( 2.561 1.087 -0.924) 2.931 ======================= Grid point 180 (84/115) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 4.767 1.722 0.929) 5.153 1.032 ( 1.130 1.241 1.036) 1.972 1.072 ( -0.312 -1.209 0.055) 1.250 1.115 ( 0.794 -1.492 0.652) 1.812 1.145 ( 0.140 -6.551 3.795) 7.572 1.268 ( -3.089 4.061 8.867) 10.230 1.331 ( -2.286 2.118 0.690) 3.192 1.395 ( 3.576 -4.284 -5.467) 7.813 1.472 ( -0.013 2.559 -1.470) 2.952 1.634 ( -1.394 -1.292 -3.774) 4.225 1.668 ( -2.134 3.905 -3.132) 5.442 1.743 ( 1.186 1.518 -3.767) 4.231 1.860 ( 0.481 -0.820 2.700) 2.862 1.897 ( 2.010 0.428 2.449) 3.197 2.231 ( -3.342 -0.019 0.475) 3.376 2.309 ( -1.017 0.127 -0.931) 1.384 2.420 ( 0.447 1.383 2.370) 2.780 2.543 ( -1.286 -5.956 1.495) 6.274 2.599 ( -2.577 -0.640 -2.911) 3.940 2.690 ( 0.012 -1.251 -0.808) 1.489 2.787 ( 4.543 -1.280 1.889) 5.084 2.852 ( -0.338 2.800 -2.683) 3.893 2.986 ( 1.880 2.854 2.233) 4.082 3.451 ( 3.053 -1.627 2.072) 4.032 3.500 ( -7.603 -2.808 -5.675) 9.895 3.691 ( 0.917 1.351 2.384) 2.889 3.806 ( 1.922 -1.052 2.110) 3.042 4.217 ( 0.459 -1.557 -2.638) 3.097 4.335 ( 0.581 0.799 2.010) 2.240 4.364 ( 0.619 3.163 0.730) 3.305 5.002 ( 1.185 1.437 -0.820) 2.035 5.119 ( -2.888 0.722 0.592) 3.035 5.510 ( 2.382 -0.478 -1.269) 2.741 5.662 ( -0.930 -1.143 -1.913) 2.415 5.836 ( 0.276 1.584 1.990) 2.559 5.948 ( 0.355 2.568 0.640) 2.670 8.209 ( -2.025 -0.546 3.187) 3.815 8.354 ( 2.482 2.312 -2.439) 4.178 9.228 ( -1.596 0.159 0.814) 1.798 9.340 ( 0.483 0.021 -1.391) 1.473 10.803 ( 1.316 -2.213 1.950) 3.230 11.622 ( -12.929 -2.275 -12.154) 17.890 11.793 ( 11.445 -4.796 11.193) 16.712 12.512 ( -1.483 -6.414 -1.393) 6.729 15.215 ( 1.466 -0.116 -0.081) 1.473 15.472 ( -5.019 -3.063 -0.086) 5.880 16.412 ( 7.001 4.600 0.520) 8.393 16.820 ( -2.393 2.074 -0.403) 3.192 ======================= Grid point 181 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 4.589 2.763 -0.485) 5.378 0.941 ( -1.578 6.310 2.479) 6.961 1.056 ( -5.005 6.295 1.995) 8.286 1.102 ( 1.320 -1.302 0.558) 1.937 1.168 ( -0.272 7.424 -1.378) 7.556 1.226 ( 0.361 -0.934 7.293) 7.361 1.304 ( -2.045 -0.818 -0.448) 2.247 1.422 ( -2.095 -1.718 0.931) 2.865 1.559 ( 2.035 -5.866 -7.204) 9.510 1.572 ( -0.705 0.980 -0.843) 1.472 1.622 ( -1.006 -1.057 -6.522) 6.683 1.731 ( -0.693 0.314 -0.883) 1.166 1.873 ( 0.959 1.912 4.033) 4.565 1.950 ( 4.761 -1.653 7.376) 8.933 2.196 ( -4.749 -0.573 -2.687) 5.487 2.296 ( -2.907 -3.179 -5.665) 7.117 2.470 ( 3.049 -1.556 3.282) 4.742 2.549 ( -2.370 2.590 0.973) 3.643 2.563 ( -2.353 1.078 -3.546) 4.390 2.715 ( 4.075 3.531 4.992) 7.348 2.766 ( -0.962 0.873 -3.827) 4.041 2.891 ( 4.103 -2.114 3.299) 5.674 2.977 ( 0.716 -0.940 0.515) 1.290 3.364 ( -7.964 5.192 -9.446) 13.402 3.523 ( 1.483 -1.904 0.538) 2.472 3.664 ( -3.189 -1.000 0.634) 3.402 3.898 ( 6.933 0.067 7.841) 10.467 4.245 ( 1.670 -0.124 -3.097) 3.521 4.331 ( -0.970 -2.086 1.087) 2.544 4.344 ( -0.271 -0.212 -1.030) 1.086 4.977 ( 0.400 1.749 -0.170) 1.803 5.069 ( -4.588 0.961 0.211) 4.692 5.551 ( 4.860 -0.031 2.596) 5.510 5.675 ( 0.066 -1.085 -0.989) 1.469 5.815 ( -0.975 0.663 0.835) 1.445 5.925 ( -1.230 -0.495 -0.371) 1.377 8.201 ( -1.920 0.295 3.352) 3.874 8.333 ( 0.641 0.730 -3.846) 3.966 9.232 ( -0.454 -1.018 4.243) 4.387 9.360 ( 1.182 -2.088 -2.938) 3.793 10.850 ( 4.184 0.886 3.773) 5.703 11.467 ( -12.166 2.988 -11.432) 16.960 11.961 ( 11.758 1.774 12.644) 17.357 12.572 ( -0.651 -1.898 -6.781) 7.072 15.254 ( 3.653 -1.455 0.168) 3.935 15.474 ( -5.140 -2.255 -0.231) 5.617 16.397 ( 6.674 3.991 0.584) 7.798 16.729 ( -6.836 2.876 -0.330) 7.424 ======================= Grid point 182 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.232 7.197 4.199) 8.423 0.831 ( 1.868 6.644 0.287) 6.908 0.898 ( -4.298 5.049 -0.643) 6.662 0.969 ( -2.690 7.463 -4.880) 9.314 1.173 ( 3.767 -2.474 1.326) 4.698 1.242 ( -1.088 -0.200 4.420) 4.556 1.330 ( -0.393 -2.368 2.155) 3.226 1.444 ( -1.388 -1.032 1.491) 2.284 1.531 ( -2.182 0.024 -2.825) 3.569 1.584 ( 1.487 2.598 0.747) 3.085 1.637 ( -0.462 1.317 -4.924) 5.118 1.723 ( -1.617 0.391 -2.919) 3.360 1.881 ( 4.751 -0.743 5.066) 6.985 2.038 ( 1.624 -1.334 4.793) 5.234 2.184 ( -2.909 -3.763 -3.653) 5.997 2.335 ( -3.521 -3.792 -6.554) 8.350 2.464 ( -0.350 5.256 3.845) 6.522 2.477 ( 1.209 1.644 0.995) 2.270 2.534 ( -2.187 -0.300 -1.804) 2.851 2.635 ( 1.272 6.759 -4.138) 8.026 2.778 ( 4.719 -0.930 3.992) 6.251 2.979 ( 2.664 -2.965 3.084) 5.039 3.033 ( 0.127 -3.467 -0.245) 3.478 3.153 ( -7.812 5.034 -9.016) 12.948 3.575 ( 2.589 -1.080 0.024) 2.805 3.659 ( -5.711 -1.948 -0.243) 6.039 3.925 ( 5.707 5.104 7.944) 11.033 4.182 ( -0.803 5.560 -4.791) 7.384 4.393 ( 1.441 -4.400 -0.756) 4.691 4.410 ( -1.613 -6.177 0.706) 6.423 4.950 ( 0.770 1.668 0.520) 1.909 5.007 ( -4.499 0.904 -0.023) 4.589 5.615 ( 5.224 -0.631 5.147) 7.361 5.709 ( 2.896 -1.624 0.651) 3.384 5.802 ( -1.675 -0.669 0.001) 1.804 5.936 ( -3.268 -3.012 -1.671) 4.748 8.183 ( -1.206 0.913 3.917) 4.198 8.312 ( -0.818 0.566 -4.589) 4.695 9.286 ( -0.317 -3.823 7.383) 8.320 9.430 ( 2.010 -5.066 -4.553) 7.102 10.864 ( 5.774 3.780 5.109) 8.586 11.240 ( -10.829 6.480 -10.047) 16.131 12.005 ( 10.793 8.491 13.924) 19.556 12.517 ( -1.963 4.619 -13.231) 14.151 15.332 ( 5.302 -2.151 0.788) 5.775 15.462 ( -4.769 -1.589 -0.597) 5.062 16.394 ( 7.054 3.280 0.915) 7.833 16.590 ( -9.666 3.409 -0.734) 10.276 ======================= Grid point 183 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.439 6.859 7.538) 10.201 0.709 ( -0.616 5.749 6.214) 8.488 0.787 ( 0.514 4.449 -4.289) 6.201 0.867 ( -3.161 -0.264 -8.207) 8.798 1.243 ( 1.364 -0.459 2.427) 2.822 1.271 ( 2.534 -1.977 -0.076) 3.215 1.373 ( -0.271 -1.086 5.495) 5.607 1.443 ( 0.575 1.384 2.994) 3.348 1.491 ( -2.720 1.369 -3.222) 4.433 1.524 ( 1.022 5.225 7.201) 8.955 1.587 ( -0.944 0.836 -4.514) 4.687 1.667 ( -0.398 2.217 -3.747) 4.372 1.975 ( 5.349 -1.458 2.511) 6.086 2.044 ( -1.734 0.586 -1.139) 2.156 2.190 ( -0.639 3.256 2.379) 4.083 2.297 ( -2.075 3.838 -3.331) 5.489 2.374 ( -1.253 1.381 0.516) 1.935 2.469 ( 0.174 7.272 -6.011) 9.436 2.532 ( 2.005 -3.309 -0.449) 3.895 2.560 ( -1.960 -5.245 -2.591) 6.170 2.916 ( 5.604 -6.261 4.230) 9.407 3.015 ( -5.219 -2.816 -3.260) 6.767 3.068 ( 0.572 -0.963 -0.391) 1.187 3.083 ( -0.349 -1.618 -0.476) 1.722 3.590 ( 2.139 2.344 0.659) 3.240 3.610 ( -5.043 1.676 -0.752) 5.367 3.885 ( 3.973 5.445 7.771) 10.287 4.034 ( -4.333 5.893 -5.478) 9.138 4.495 ( 2.474 -4.261 0.260) 4.934 4.503 ( -2.769 -5.340 -0.377) 6.027 4.940 ( 2.036 0.990 1.255) 2.588 4.959 ( -2.083 0.691 -0.486) 2.247 5.681 ( 2.386 -1.257 3.996) 4.821 5.777 ( -0.237 -2.086 -4.523) 4.987 5.851 ( 5.466 -4.433 7.074) 9.979 5.960 ( -4.585 -4.059 -2.860) 6.759 8.169 ( 0.075 1.175 4.646) 4.793 8.273 ( -0.859 1.160 -4.600) 4.821 9.410 ( -3.264 -8.921 9.474) 13.416 9.572 ( 3.082 -9.212 -5.531) 11.178 10.849 ( 5.986 4.902 5.804) 9.672 10.998 ( -8.636 6.759 -7.690) 13.394 11.916 ( 8.584 14.419 13.623) 21.614 12.260 ( -6.820 15.154 -18.226) 24.664 15.415 ( 2.471 -1.391 1.686) 3.299 15.451 ( -2.024 -1.523 -1.468) 2.928 16.408 ( 3.296 2.299 1.929) 4.457 16.451 ( -2.168 2.542 -2.059) 3.924 ======================= Grid point 186 (88/115) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 2.884 -0.000 -5.456) 6.171 0.754 ( 2.209 -0.000 -5.940) 6.338 0.831 ( 4.725 -0.000 1.704) 5.023 0.869 ( -0.890 0.000 4.776) 4.858 1.168 ( 7.463 -0.000 3.186) 8.114 1.319 ( -4.490 0.000 3.964) 5.989 1.355 ( -0.059 0.000 2.900) 2.901 1.372 ( -0.946 0.000 1.176) 1.509 1.436 ( -1.400 0.000 -1.878) 2.342 1.599 ( 2.571 -0.000 -4.475) 5.161 1.629 ( 1.363 -0.000 -1.807) 2.263 1.662 ( 4.435 -0.000 3.376) 5.574 1.869 ( -2.385 0.000 -2.012) 3.120 1.936 ( -4.839 0.000 -7.027) 8.531 2.098 ( 5.234 -0.000 3.243) 6.157 2.301 ( 3.277 -0.000 2.867) 4.354 2.350 ( 3.198 -0.000 -2.581) 4.109 2.386 ( 1.819 -0.000 4.926) 5.251 2.671 ( 1.659 -0.000 1.524) 2.253 2.807 ( 1.523 -0.000 2.930) 3.303 2.992 ( -1.563 0.000 -2.532) 2.976 3.097 ( 1.858 -0.000 -0.533) 1.933 3.099 ( -2.914 0.000 -1.225) 3.161 3.313 ( -9.261 0.000 -3.920) 10.056 3.314 ( 0.663 -0.000 0.775) 1.019 3.636 ( 0.691 -0.000 -0.281) 0.746 3.718 ( -4.948 0.000 5.313) 7.260 3.733 ( 6.943 -0.000 4.455) 8.250 4.458 ( -3.112 0.000 1.550) 3.476 4.712 ( 2.767 -0.000 1.112) 2.982 5.024 ( 4.858 -0.000 -2.109) 5.296 5.140 ( 3.434 -0.000 2.741) 4.394 5.606 ( -6.342 0.000 -6.161) 8.841 5.701 ( -2.100 0.000 -6.685) 7.007 5.910 ( 1.054 -0.000 6.189) 6.278 6.238 ( 1.107 -0.000 -4.524) 4.658 8.241 ( -0.559 0.000 1.779) 1.865 8.368 ( 9.737 -0.000 2.832) 10.141 9.416 ( -8.234 0.000 6.446) 10.457 9.766 ( -12.260 0.000 -1.012) 12.301 10.567 ( -5.934 0.000 -1.689) 6.170 10.868 ( -2.091 0.000 2.053) 2.931 11.391 ( -0.934 0.000 -1.870) 2.090 11.690 ( 3.767 -0.000 0.621) 3.818 15.309 ( -5.338 0.000 -0.359) 5.350 15.408 ( -0.780 0.000 -2.775) 2.882 16.552 ( 10.035 -0.000 4.785) 11.118 16.810 ( 9.513 -0.000 -7.325) 12.006 ======================= Grid point 187 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 2.228 0.266 -4.858) 5.351 0.817 ( 4.491 -2.270 -1.185) 5.169 0.878 ( 0.278 -1.685 3.970) 4.322 0.953 ( 4.755 -4.098 4.080) 7.486 1.182 ( -1.661 7.238 1.773) 7.635 1.244 ( 3.830 -1.674 1.855) 4.573 1.393 ( -1.913 0.897 -0.639) 2.208 1.402 ( -1.246 -4.813 -0.845) 5.043 1.520 ( 2.405 -6.938 4.456) 8.589 1.578 ( 0.638 2.166 -4.825) 5.327 1.635 ( 0.576 -0.099 -0.951) 1.116 1.707 ( 2.794 -0.051 0.949) 2.951 1.838 ( -2.024 0.598 -3.458) 4.051 1.898 ( -3.855 -1.766 -4.423) 6.127 2.187 ( 1.213 -3.834 0.787) 4.097 2.345 ( 2.096 -2.220 -1.020) 3.219 2.377 ( 1.864 1.173 1.724) 2.797 2.420 ( 3.978 -0.767 1.253) 4.240 2.654 ( 2.869 4.288 5.594) 7.610 2.792 ( 2.602 3.390 2.947) 5.192 2.944 ( -5.656 4.794 -4.160) 8.501 2.974 ( 0.509 5.514 -0.108) 5.538 3.103 ( -0.597 1.937 -0.014) 2.027 3.197 ( -0.409 -0.408 0.654) 0.873 3.415 ( -5.216 -7.020 -1.836) 8.937 3.644 ( 2.248 0.441 -0.783) 2.421 3.699 ( -6.218 -3.807 2.238) 7.627 3.896 ( 6.084 -6.843 3.544) 9.818 4.421 ( -1.751 1.938 3.414) 4.299 4.701 ( 1.701 3.801 0.312) 4.176 5.054 ( 4.901 1.048 -2.054) 5.417 5.163 ( 0.606 0.221 1.804) 1.916 5.530 ( -2.853 1.285 -6.467) 7.185 5.661 ( -2.523 0.100 -6.354) 6.838 5.926 ( 1.595 1.232 6.152) 6.474 6.190 ( 0.505 4.058 -2.934) 5.033 8.220 ( -1.034 1.745 5.084) 5.474 8.469 ( 9.776 0.629 1.356) 9.889 9.343 ( -3.944 2.302 2.770) 5.341 9.553 ( -11.688 6.968 -3.604) 14.077 10.561 ( -4.163 -4.292 0.342) 5.990 10.982 ( -4.502 -14.075 -0.684) 14.793 11.428 ( 1.001 -3.784 -0.500) 3.946 11.858 ( 0.001 -12.985 1.097) 13.032 15.264 ( -3.248 0.371 0.014) 3.269 15.393 ( -1.456 0.009 -1.983) 2.461 16.614 ( 8.841 3.858 4.351) 10.582 16.873 ( 6.632 -0.113 -5.381) 8.541 ======================= Grid point 188 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 5.162 -5.558 1.610) 7.754 0.913 ( 5.097 -3.523 -0.218) 6.200 0.939 ( 1.023 -2.461 5.747) 6.335 1.039 ( -2.926 -0.104 0.636) 2.996 1.098 ( 4.685 0.708 2.299) 5.266 1.290 ( 0.058 -0.379 2.152) 2.186 1.353 ( -0.254 1.524 -1.230) 1.975 1.491 ( -0.741 -4.539 1.714) 4.908 1.525 ( -0.133 1.545 -5.933) 6.133 1.610 ( 0.416 2.621 1.882) 3.254 1.682 ( -0.542 -4.835 -1.333) 5.044 1.725 ( 3.562 0.014 3.661) 5.108 1.815 ( 0.013 -1.785 -3.087) 3.566 1.887 ( -2.683 -0.801 -4.534) 5.328 2.231 ( -6.303 -4.147 -4.375) 8.722 2.324 ( -0.707 2.568 0.767) 2.772 2.393 ( 2.132 1.016 -2.515) 3.450 2.498 ( 0.334 -2.886 0.115) 2.908 2.622 ( 4.347 4.190 7.589) 9.698 2.739 ( -1.263 7.981 0.934) 8.134 2.779 ( 4.034 2.766 3.064) 5.771 2.934 ( -0.116 0.611 -2.574) 2.648 3.059 ( -0.601 1.470 0.814) 1.784 3.265 ( 0.964 -4.712 1.267) 4.974 3.454 ( -4.858 -2.921 -1.852) 5.963 3.667 ( 2.459 -0.874 -0.143) 2.614 3.736 ( -2.961 -3.853 1.288) 5.027 4.066 ( 0.557 -6.921 -1.749) 7.161 4.384 ( 0.838 2.489 5.768) 6.337 4.609 ( 0.628 6.871 -0.562) 6.923 5.065 ( 4.197 1.847 -1.745) 4.907 5.153 ( -1.436 0.812 1.220) 2.052 5.488 ( 0.432 0.227 -5.317) 5.340 5.625 ( -2.497 -0.544 -5.093) 5.698 5.924 ( 1.730 2.208 5.194) 5.903 6.104 ( 0.385 4.838 -0.886) 4.933 8.200 ( -1.250 0.823 6.634) 6.801 8.500 ( 6.685 4.348 -2.240) 8.283 9.263 ( -3.955 2.279 -1.926) 4.954 9.383 ( -4.047 2.172 -0.793) 4.661 10.637 ( -1.075 -5.824 2.427) 6.400 11.227 ( -9.103 -17.476 -6.715) 20.818 11.546 ( 5.753 -5.783 4.718) 9.424 12.105 ( -3.594 -14.181 0.426) 14.635 15.236 ( -0.667 0.665 0.226) 0.969 15.375 ( -3.115 -0.918 -0.826) 3.351 16.612 ( 8.147 5.330 2.371) 10.021 16.894 ( 2.362 1.491 -2.825) 3.973 ======================= Grid point 189 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 6.126 -0.325 2.913) 6.791 0.991 ( 0.824 -5.416 1.528) 5.688 1.031 ( -0.843 -2.998 0.545) 3.161 1.060 ( 4.879 -4.763 5.486) 8.751 1.129 ( 0.895 1.109 0.112) 1.429 1.287 ( -1.007 0.204 4.673) 4.785 1.341 ( 0.634 -0.923 -2.847) 3.059 1.435 ( -0.787 6.707 -1.312) 6.879 1.522 ( -2.046 2.812 -1.391) 3.745 1.565 ( -2.862 -0.985 -0.647) 3.095 1.672 ( -3.939 -0.167 -1.900) 4.376 1.786 ( 4.095 1.089 -4.818) 6.416 1.858 ( -0.166 -0.725 0.875) 1.148 1.920 ( 5.773 -3.414 4.228) 7.928 2.195 ( -6.832 -0.011 -2.817) 7.390 2.302 ( -2.109 -0.211 -3.060) 3.722 2.398 ( 0.420 -3.076 -0.099) 3.106 2.462 ( -3.945 1.172 -0.829) 4.198 2.603 ( 1.270 3.154 2.965) 4.511 2.681 ( 2.681 0.168 3.312) 4.264 2.813 ( 3.753 -0.485 2.305) 4.431 2.897 ( 0.008 2.848 -3.701) 4.670 3.051 ( 1.742 0.792 2.456) 3.113 3.340 ( -6.188 -4.571 -3.633) 8.508 3.469 ( 2.915 -1.083 1.131) 3.309 3.694 ( -2.478 -0.665 -0.161) 2.571 3.803 ( 3.899 -3.168 3.359) 6.044 4.146 ( -2.567 -4.148 -4.471) 6.617 4.378 ( 2.102 1.611 4.822) 5.502 4.476 ( 0.409 7.148 -0.266) 7.165 5.054 ( 2.865 2.432 -1.351) 3.993 5.114 ( -2.844 1.408 0.917) 3.303 5.503 ( 2.321 -1.553 -3.112) 4.182 5.613 ( -2.247 -1.667 -3.390) 4.395 5.901 ( 1.309 3.090 4.160) 5.346 6.019 ( 0.033 4.321 -0.245) 4.328 8.198 ( -1.339 0.059 6.461) 6.598 8.438 ( 2.644 5.038 -5.580) 7.970 9.215 ( -1.771 -0.046 1.331) 2.216 9.342 ( -0.680 0.482 -1.969) 2.138 10.760 ( 2.775 -5.376 4.457) 7.515 11.354 ( -12.635 -9.784 -11.788) 19.857 11.790 ( 10.484 -8.928 9.744) 16.869 12.305 ( -4.721 -11.646 -2.067) 12.735 15.232 ( 1.658 0.225 0.157) 1.681 15.367 ( -4.678 -2.257 -0.261) 5.201 16.589 ( 7.985 5.561 1.471) 9.841 16.846 ( -2.099 3.165 -1.638) 4.135 ======================= Grid point 190 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.311 1.959 1.711) 5.035 1.044 ( -1.695 1.804 -1.057) 2.691 1.079 ( 2.299 1.037 4.035) 4.759 1.145 ( 3.556 -0.040 1.555) 3.881 1.200 ( 0.627 -3.894 5.100) 6.447 1.257 ( -2.982 5.695 5.131) 8.225 1.285 ( -1.649 -0.332 4.097) 4.429 1.410 ( -3.868 4.366 -5.151) 7.782 1.438 ( 1.827 -6.008 -6.789) 9.248 1.522 ( -3.705 -0.370 -6.016) 7.075 1.638 ( -1.001 0.803 0.962) 1.604 1.735 ( 1.007 2.717 -6.240) 6.880 1.927 ( 3.572 -0.900 5.362) 6.505 2.003 ( 4.749 1.143 6.220) 7.909 2.134 ( -4.852 -0.907 -1.356) 5.119 2.245 ( -3.122 1.497 -4.879) 5.983 2.471 ( 0.796 -2.631 0.743) 2.848 2.500 ( -2.317 -5.861 -0.693) 6.341 2.562 ( 0.637 2.203 1.454) 2.716 2.715 ( 0.586 -1.150 0.920) 1.585 2.827 ( 1.266 2.621 -2.257) 3.683 2.872 ( 1.737 -1.868 0.985) 2.735 3.050 ( 3.143 3.008 3.911) 5.850 3.304 ( -8.256 -0.462 -7.097) 10.898 3.527 ( 4.274 -0.492 1.244) 4.479 3.642 ( -4.378 1.570 -0.990) 4.755 3.941 ( 6.442 -4.076 7.095) 10.414 4.186 ( -1.956 -4.174 -4.510) 6.449 4.353 ( 0.355 3.657 1.468) 3.957 4.378 ( 0.270 3.251 0.254) 3.272 5.026 ( 1.831 2.467 -0.692) 3.149 5.057 ( -3.365 1.661 0.457) 3.780 5.564 ( 3.357 -2.465 -0.834) 4.247 5.625 ( -2.021 -2.460 -1.973) 3.745 5.859 ( 0.670 3.178 3.384) 4.691 5.944 ( -0.754 3.191 -0.677) 3.348 8.200 ( -1.244 0.147 5.539) 5.679 8.361 ( 0.640 2.911 -5.983) 6.685 9.222 ( -0.222 -0.709 3.889) 3.959 9.334 ( 0.160 -0.743 -3.299) 3.385 10.896 ( 6.141 -2.786 6.495) 9.363 11.325 ( -11.940 -2.985 -11.551) 16.879 12.057 ( 10.499 -5.422 10.438) 15.766 12.434 ( -4.936 -7.903 -5.907) 11.033 15.266 ( 3.907 -1.140 0.215) 4.075 15.367 ( -5.622 -2.810 -0.349) 6.294 16.565 ( 7.872 5.293 1.424) 9.592 16.735 ( -5.794 4.282 -1.239) 7.311 ======================= Grid point 191 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -3.254 6.256 2.109) 7.360 0.954 ( 4.163 4.148 -0.678) 5.916 1.012 ( 0.879 9.513 5.024) 10.794 1.113 ( -1.288 8.551 -2.617) 9.035 1.159 ( 1.531 -1.299 2.103) 2.908 1.228 ( -3.419 0.812 -2.354) 4.229 1.297 ( 1.778 -2.423 5.766) 6.503 1.384 ( -2.624 -3.988 4.036) 6.251 1.492 ( -1.439 -0.969 -5.144) 5.429 1.571 ( -0.746 -4.449 -6.701) 8.078 1.648 ( 3.834 -1.446 0.446) 4.122 1.691 ( -1.232 0.564 -3.539) 3.789 1.957 ( 4.196 2.184 6.257) 7.844 2.022 ( -1.551 -0.547 2.581) 3.060 2.125 ( -0.237 -0.796 0.338) 0.897 2.215 ( -1.997 -2.796 -5.990) 6.906 2.494 ( -0.256 0.713 -1.497) 1.677 2.505 ( -1.310 0.789 -1.592) 2.207 2.578 ( 2.512 0.783 5.185) 5.814 2.707 ( -1.969 1.611 -6.257) 6.755 2.844 ( 4.711 -0.830 7.393) 8.806 2.938 ( -0.148 -4.070 -0.705) 4.134 3.022 ( 2.934 3.433 3.770) 5.883 3.160 ( -7.655 5.234 -8.748) 12.748 3.581 ( 3.804 -1.101 0.478) 3.989 3.589 ( -3.929 -0.570 -0.110) 3.972 4.059 ( 5.042 0.595 8.072) 9.536 4.214 ( -3.083 -0.184 -5.917) 6.674 4.319 ( -0.912 -1.140 1.306) 1.958 4.339 ( 0.239 -0.811 -0.597) 1.035 4.994 ( -1.002 1.756 0.535) 2.092 5.005 ( 0.790 1.827 -0.387) 2.028 5.633 ( 0.880 -1.866 1.246) 2.410 5.666 ( 0.831 -3.571 -1.962) 4.158 5.823 ( 0.915 1.974 3.452) 4.081 5.887 ( -2.053 1.150 -1.665) 2.882 8.198 ( -0.501 0.421 4.875) 4.919 8.312 ( -0.261 1.299 -5.162) 5.329 9.252 ( -0.181 -1.474 5.313) 5.517 9.360 ( 0.737 -2.761 -4.286) 5.151 10.996 ( 7.787 1.302 7.991) 11.233 11.197 ( -10.359 2.207 -10.318) 14.787 12.217 ( 8.795 1.102 11.506) 14.524 12.463 ( -6.136 -2.422 -10.793) 12.649 15.342 ( 3.264 -2.185 1.036) 4.062 15.367 ( -3.309 -2.750 -1.099) 4.441 16.540 ( 1.625 4.363 2.373) 5.226 16.591 ( -1.432 4.874 -2.156) 5.519 ======================= Grid point 192 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.492 5.974 3.476) 7.347 0.854 ( -0.075 8.376 2.565) 8.760 0.901 ( 2.340 6.180 -2.529) 7.076 0.912 ( 1.954 7.931 -1.235) 8.261 1.201 ( -3.578 -1.535 -1.187) 4.071 1.260 ( 4.098 -3.373 2.287) 5.779 1.367 ( 1.875 -1.444 6.008) 6.458 1.402 ( -2.653 -1.214 -1.601) 3.328 1.504 ( 0.120 -0.729 1.412) 1.593 1.568 ( -2.305 0.064 -3.868) 4.503 1.662 ( 0.955 1.760 -0.269) 2.020 1.689 ( 2.217 2.155 -2.496) 3.973 1.983 ( -1.371 -1.060 0.095) 1.736 2.023 ( 3.412 -0.593 1.137) 3.646 2.200 ( 1.603 -4.895 3.888) 6.453 2.227 ( -3.933 -1.984 -4.692) 6.436 2.464 ( -0.914 2.105 1.442) 2.710 2.508 ( 2.531 -0.937 -0.747) 2.801 2.533 ( 1.046 5.558 3.099) 6.449 2.605 ( -0.711 6.180 -6.649) 9.105 2.929 ( 6.011 -0.187 7.486) 9.602 2.933 ( -6.921 1.688 -6.992) 9.982 3.020 ( -1.777 -3.388 -0.382) 3.844 3.056 ( 2.062 -0.765 -0.188) 2.207 3.570 ( -3.172 -0.761 0.698) 3.336 3.642 ( 4.008 -0.704 0.736) 4.136 4.044 ( 1.997 5.917 7.064) 9.429 4.088 ( -5.627 5.948 -5.819) 10.045 4.378 ( -2.074 -5.120 0.703) 5.569 4.421 ( 1.514 -5.587 -0.323) 5.797 4.958 ( -0.322 1.044 -0.246) 1.120 5.000 ( 3.902 1.337 0.628) 4.172 5.668 ( -1.465 -2.154 1.250) 2.889 5.722 ( -0.189 -1.793 -3.440) 3.884 5.849 ( 0.086 -1.095 1.713) 2.035 5.865 ( 1.278 -2.489 1.068) 2.995 8.203 ( 1.003 0.579 4.566) 4.711 8.275 ( -0.568 0.935 -3.898) 4.049 9.302 ( -1.605 -3.163 6.184) 7.129 9.435 ( 0.983 -5.950 -5.103) 7.900 10.989 ( -5.929 5.067 -2.354) 8.146 11.055 ( 5.716 5.235 2.889) 8.272 12.230 ( 5.458 8.004 11.961) 15.392 12.330 ( -9.288 6.185 -14.926) 18.637 15.351 ( -5.398 -2.426 -0.620) 5.950 15.447 ( 5.211 -1.651 0.542) 5.493 16.409 ( -7.360 3.188 -0.270) 8.025 16.581 ( 10.453 3.275 -0.051) 10.954 ======================= Grid point 196 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 2.408 -0.000 -6.973) 7.377 0.755 ( 2.643 -0.000 -3.572) 4.443 0.892 ( -1.243 0.000 3.333) 3.557 0.968 ( 5.738 -0.000 4.294) 7.167 1.203 ( -1.705 0.000 2.214) 2.794 1.318 ( -1.446 0.000 -6.044) 6.215 1.371 ( 2.166 -0.000 3.782) 4.359 1.371 ( -2.156 0.000 6.176) 6.542 1.459 ( 4.146 -0.000 2.669) 4.931 1.606 ( -0.718 0.000 -3.488) 3.561 1.626 ( 3.197 -0.000 -0.795) 3.294 1.733 ( 1.272 -0.000 1.163) 1.724 1.823 ( -1.209 0.000 -0.993) 1.565 1.851 ( -0.978 0.000 -4.222) 4.334 2.160 ( -1.028 0.000 -3.102) 3.267 2.333 ( 0.688 -0.000 1.985) 2.101 2.399 ( 3.356 -0.000 -3.197) 4.635 2.469 ( 2.047 -0.000 0.299) 2.069 2.744 ( 3.907 -0.000 7.764) 8.692 2.852 ( 1.560 -0.000 3.634) 3.955 2.902 ( -3.576 0.000 -4.145) 5.474 3.081 ( 0.141 -0.000 2.562) 2.566 3.126 ( 1.250 -0.000 -0.637) 1.403 3.179 ( -3.281 0.000 0.392) 3.304 3.298 ( -2.157 0.000 -0.753) 2.285 3.569 ( -7.746 0.000 -2.171) 8.045 3.672 ( 2.889 -0.000 -1.488) 3.250 3.888 ( 2.439 -0.000 2.968) 3.842 4.444 ( 0.350 -0.000 5.788) 5.798 4.749 ( 0.636 -0.000 -0.368) 0.734 5.111 ( 5.762 -0.000 -2.114) 6.138 5.163 ( -1.216 0.000 0.898) 1.512 5.511 ( -0.926 0.000 -4.922) 5.009 5.617 ( -3.265 0.000 -7.113) 7.826 5.967 ( 1.131 -0.000 7.162) 7.250 6.219 ( -0.319 0.000 -4.442) 4.454 8.253 ( -0.792 0.000 9.271) 9.305 8.576 ( 11.294 -0.000 -0.799) 11.322 9.339 ( -3.242 0.000 1.967) 3.792 9.479 ( -15.758 0.000 -3.840) 16.219 10.477 ( -3.082 0.000 0.478) 3.118 10.781 ( -6.020 0.000 -3.150) 6.794 11.429 ( 3.957 -0.000 3.295) 5.149 11.740 ( 1.663 -0.000 -1.627) 2.327 15.242 ( -1.937 0.000 1.467) 2.430 15.384 ( -0.431 0.000 -2.679) 2.714 16.737 ( 5.660 -0.000 7.045) 9.037 16.913 ( 6.005 -0.000 -7.700) 9.765 ======================= Grid point 197 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 5.945 -2.530 0.410) 6.474 0.846 ( 1.499 -5.112 -2.544) 5.903 0.909 ( -0.966 -3.066 1.513) 3.553 1.023 ( 1.168 -0.509 2.874) 3.144 1.182 ( 0.950 2.523 4.107) 4.912 1.304 ( -0.431 1.015 1.933) 2.225 1.346 ( -1.116 -1.907 -2.562) 3.383 1.397 ( 0.364 -1.331 1.925) 2.368 1.536 ( -1.885 -2.302 -1.130) 3.183 1.580 ( 0.739 0.019 -4.378) 4.440 1.674 ( 2.799 0.189 3.537) 4.514 1.755 ( 1.568 -1.108 3.053) 3.607 1.805 ( 2.077 0.808 -1.409) 2.637 1.853 ( 1.292 -0.603 -2.607) 2.971 2.123 ( -5.345 -0.478 -6.313) 8.285 2.340 ( -2.590 0.719 0.016) 2.688 2.418 ( 2.065 0.155 -2.967) 3.618 2.453 ( -2.386 -0.832 -2.269) 3.396 2.779 ( 6.244 3.900 8.419) 11.184 2.851 ( 1.686 3.331 1.804) 4.146 2.865 ( 0.879 1.415 1.994) 2.598 2.999 ( 1.150 7.336 0.771) 7.466 3.089 ( -0.436 2.538 0.131) 2.578 3.183 ( -2.262 -2.840 -0.193) 3.635 3.347 ( -1.021 -5.492 0.344) 5.597 3.580 ( -5.562 -6.394 -2.766) 8.915 3.699 ( 3.735 -0.595 -0.611) 3.831 3.937 ( -2.531 -4.811 -1.772) 5.718 4.458 ( 2.541 1.792 7.544) 8.160 4.709 ( -0.554 3.868 -1.345) 4.133 5.140 ( 3.813 1.520 -1.176) 4.270 5.153 ( 0.148 0.552 0.282) 0.638 5.490 ( 0.462 0.565 -4.269) 4.331 5.571 ( -3.708 -0.590 -6.255) 7.295 5.984 ( 1.045 1.111 6.715) 6.886 6.174 ( -0.393 3.005 -3.269) 4.458 8.249 ( -0.128 2.388 11.504) 11.749 8.637 ( 7.818 3.594 -5.020) 9.962 9.262 ( -6.488 3.084 -1.608) 7.362 9.352 ( -5.801 -0.495 -1.050) 5.916 10.522 ( -0.592 -5.790 2.621) 6.383 10.839 ( -7.308 -12.394 -5.672) 15.466 11.519 ( 5.527 -4.091 5.409) 8.749 11.841 ( -1.614 -9.750 -2.388) 10.168 15.237 ( -0.233 -0.018 2.000) 2.013 15.361 ( -0.856 1.085 -2.291) 2.676 16.763 ( 4.009 3.085 5.366) 7.375 16.933 ( 3.365 1.175 -5.978) 6.960 ======================= Grid point 198 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 5.276 -4.748 3.604) 7.961 0.941 ( -0.687 -5.304 1.719) 5.618 0.975 ( 1.325 -2.544 -2.038) 3.519 1.052 ( 1.803 -2.217 4.800) 5.586 1.161 ( 0.661 1.813 3.688) 4.162 1.290 ( -1.347 0.264 1.646) 2.143 1.345 ( -0.045 0.760 -1.033) 1.283 1.451 ( -1.752 -3.170 -4.071) 5.449 1.517 ( 1.165 1.975 -2.524) 3.410 1.590 ( -4.651 -1.123 -3.086) 5.694 1.651 ( 1.183 4.159 5.945) 7.351 1.781 ( -0.608 -4.064 2.945) 5.056 1.858 ( 3.319 1.816 -6.415) 7.447 1.915 ( 7.349 -4.886 4.086) 9.725 2.069 ( -6.414 -2.066 -5.320) 8.585 2.271 ( -5.284 0.470 -3.445) 6.325 2.408 ( -1.608 0.789 -1.061) 2.082 2.435 ( -1.261 1.613 -3.088) 3.706 2.739 ( 3.570 6.466 6.418) 9.785 2.778 ( 3.138 5.847 4.076) 7.788 2.858 ( 2.001 1.708 2.533) 3.652 2.932 ( 0.632 1.711 -3.186) 3.671 3.072 ( 1.775 -0.138 1.670) 2.441 3.205 ( -5.326 -3.267 -2.566) 6.755 3.457 ( 3.676 -4.270 2.497) 6.163 3.622 ( -4.399 -3.398 -2.853) 6.248 3.783 ( 5.076 -3.718 2.416) 6.740 3.998 ( -5.029 -6.147 -4.975) 9.371 4.459 ( 2.810 2.910 6.614) 7.753 4.601 ( -0.762 6.208 -1.654) 6.470 5.120 ( -2.082 1.358 1.619) 2.967 5.137 ( 3.924 3.221 -1.916) 5.426 5.491 ( 1.739 -0.883 -3.294) 3.828 5.544 ( -3.556 -1.714 -4.424) 5.929 5.977 ( 0.949 2.378 5.543) 6.106 6.095 ( -0.563 4.140 -1.703) 4.512 8.233 ( 0.055 2.224 10.926) 11.150 8.551 ( 1.123 6.801 -9.212) 11.505 9.204 ( -0.947 -0.202 2.628) 2.800 9.326 ( -1.894 -0.362 -2.771) 3.376 10.676 ( 3.248 -7.956 5.466) 10.184 11.001 ( -9.032 -13.377 -9.079) 18.519 11.724 ( 8.125 -9.365 7.718) 14.604 12.017 ( -4.983 -12.576 -3.721) 14.030 15.248 ( 1.230 -0.170 1.417) 1.884 15.323 ( -1.799 0.916 -1.445) 2.483 16.743 ( 3.369 3.833 4.057) 6.519 16.891 ( 0.136 3.672 -4.641) 5.920 ======================= Grid point 199 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -1.294 -2.542 1.227) 3.105 1.000 ( 0.568 -1.587 0.510) 1.761 1.098 ( 3.331 -5.335 4.145) 7.533 1.143 ( -0.348 -0.645 0.017) 0.733 1.167 ( 3.187 -3.600 5.270) 7.133 1.270 ( -2.308 0.076 0.499) 2.363 1.330 ( 0.291 0.834 -0.193) 0.904 1.417 ( -1.252 3.696 -3.810) 5.454 1.439 ( -3.896 4.953 0.010) 6.301 1.516 ( 0.613 2.530 -3.118) 4.062 1.635 ( -1.544 0.608 4.272) 4.583 1.799 ( 1.583 3.559 -9.220) 10.009 1.920 ( 3.799 -4.889 6.308) 8.839 2.046 ( -4.313 -3.510 -3.842) 6.760 2.088 ( 6.354 -1.334 6.092) 8.903 2.216 ( -5.453 -0.365 -4.924) 7.356 2.379 ( -2.556 -3.028 -1.080) 4.107 2.406 ( 1.215 -0.655 -2.360) 2.734 2.668 ( 2.710 5.351 5.405) 8.074 2.737 ( 0.701 2.564 1.409) 3.008 2.856 ( 0.179 0.225 -0.184) 0.341 2.882 ( 0.183 2.277 -2.593) 3.456 3.114 ( 3.489 -0.213 3.594) 5.013 3.197 ( -5.529 -2.195 -4.123) 7.238 3.560 ( 2.990 -1.684 2.382) 4.177 3.614 ( -2.177 -0.323 -2.691) 3.476 3.926 ( 5.458 -4.768 5.197) 8.919 4.046 ( -5.087 -5.765 -5.570) 9.494 4.430 ( 1.113 3.616 3.302) 5.022 4.475 ( -0.275 6.147 -0.842) 6.211 5.066 ( -2.810 2.068 1.249) 3.706 5.101 ( 2.827 3.375 -1.449) 4.635 5.538 ( 2.471 -2.623 -1.634) 3.957 5.545 ( -3.249 -2.679 -2.654) 4.978 5.942 ( 0.654 3.499 4.401) 5.660 6.006 ( -1.057 4.230 -1.100) 4.497 8.224 ( -0.056 1.474 8.685) 8.810 8.415 ( -0.881 4.690 -8.269) 9.548 9.225 ( 1.078 -0.403 3.953) 4.117 9.312 ( -0.759 -0.463 -3.741) 3.846 10.886 ( 6.863 -6.993 8.160) 12.751 11.090 ( -9.325 -8.028 -10.343) 16.074 12.023 ( 9.626 -10.328 8.094) 16.274 12.177 ( -6.842 -11.558 -5.952) 14.691 15.279 ( 1.712 -1.332 0.570) 2.243 15.294 ( -1.413 -0.092 -0.729) 1.593 16.699 ( -0.893 3.874 3.933) 5.592 16.791 ( 0.986 5.448 -4.172) 6.933 ======================= Grid point 200 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.577 2.475 0.640) 4.397 1.035 ( 1.852 0.538 -0.412) 1.972 1.135 ( -1.093 -1.078 2.442) 2.885 1.163 ( -2.109 0.537 -1.739) 2.786 1.242 ( 2.139 7.681 5.730) 9.819 1.257 ( -3.362 -3.796 3.484) 6.152 1.289 ( -1.470 6.201 -1.129) 6.472 1.319 ( 3.984 -1.999 4.906) 6.629 1.434 ( -0.302 -5.834 -3.011) 6.573 1.469 ( 0.978 1.501 -6.194) 6.447 1.632 ( -0.436 -0.857 1.099) 1.460 1.731 ( 2.125 2.835 -5.671) 6.687 1.974 ( -3.756 -0.300 2.786) 4.686 2.077 ( 5.464 0.395 1.977) 5.824 2.119 ( -2.804 0.977 -0.213) 2.977 2.177 ( 1.972 0.123 -1.797) 2.671 2.460 ( -0.931 -3.924 -1.217) 4.212 2.475 ( 1.538 -4.420 0.268) 4.688 2.634 ( 3.223 2.195 5.591) 6.816 2.681 ( -2.176 1.294 -5.588) 6.135 2.853 ( 0.064 -0.857 1.413) 1.654 2.869 ( -1.621 -1.358 -2.066) 2.956 3.138 ( -3.025 2.706 -1.392) 4.291 3.158 ( 3.144 1.318 2.942) 4.503 3.551 ( -3.930 -0.030 -0.953) 4.044 3.625 ( 5.007 1.361 0.528) 5.215 4.067 ( 1.765 -4.653 3.899) 6.322 4.097 ( -3.225 -5.166 -4.386) 7.505 4.364 ( 0.025 4.236 1.458) 4.480 4.373 ( -0.568 4.028 -0.285) 4.078 5.009 ( -1.790 1.687 0.563) 2.523 5.068 ( 2.810 2.454 -0.427) 3.755 5.565 ( -3.317 -3.191 -1.408) 4.813 5.616 ( 2.492 -3.308 -0.929) 4.244 5.891 ( 0.596 3.284 3.773) 5.037 5.917 ( -1.488 3.604 -1.278) 4.104 8.221 ( 0.293 0.871 6.246) 6.313 8.326 ( -0.886 2.225 -5.627) 6.116 9.250 ( 0.630 -0.374 3.506) 3.581 9.315 ( -0.019 -1.341 -3.600) 3.842 11.047 ( -4.221 -2.828 -0.980) 5.175 11.114 ( 4.868 -2.947 1.387) 5.857 12.254 ( -3.359 -6.394 -1.664) 7.412 12.298 ( 3.500 -6.618 0.573) 7.509 15.274 ( -3.888 -1.287 -0.442) 4.120 15.358 ( 5.608 -2.500 0.344) 6.150 16.573 ( -8.265 5.014 0.883) 9.707 16.729 ( 6.385 4.444 -0.893) 7.830 ======================= Grid point 201 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.241 4.813 0.503) 6.435 0.988 ( 0.522 5.575 -1.243) 5.735 1.066 ( 0.875 7.724 1.916) 8.005 1.111 ( 2.587 8.668 0.106) 9.046 1.146 ( -2.883 0.673 -2.118) 3.640 1.231 ( 3.138 -3.180 4.070) 6.044 1.345 ( -2.536 -3.510 7.116) 8.330 1.379 ( 1.747 -0.413 0.444) 1.849 1.480 ( 2.627 -1.864 -0.227) 3.230 1.506 ( -2.995 -3.450 -2.291) 5.111 1.655 ( 0.895 -0.810 -5.992) 6.113 1.728 ( 3.209 -0.769 -0.428) 3.327 1.944 ( -3.405 -0.085 -1.147) 3.594 2.078 ( -2.778 -1.442 -2.255) 3.857 2.111 ( 4.055 1.313 4.357) 6.095 2.205 ( 2.032 -0.799 0.515) 2.243 2.478 ( -0.630 0.223 -0.221) 0.704 2.527 ( 3.592 0.056 0.984) 3.724 2.618 ( -1.692 1.835 -3.332) 4.163 2.665 ( 1.379 1.956 1.839) 3.018 2.871 ( -4.239 -1.960 -5.226) 7.009 2.914 ( -1.168 -4.846 1.077) 5.100 3.004 ( -3.546 4.738 -1.977) 6.240 3.166 ( 7.618 5.144 7.454) 11.834 3.532 ( -1.683 -0.900 -0.377) 1.945 3.658 ( 3.513 -0.786 0.729) 3.673 4.073 ( -7.911 0.505 -7.435) 10.868 4.156 ( 2.026 0.538 5.158) 5.568 4.313 ( -0.526 0.493 1.625) 1.778 4.345 ( 0.477 -2.294 -0.138) 2.347 4.977 ( 0.108 0.967 -0.210) 0.996 5.064 ( 3.852 1.373 0.621) 4.137 5.589 ( -3.754 -2.995 -1.257) 4.965 5.685 ( 0.904 -2.074 -1.835) 2.913 5.845 ( -1.252 1.959 -1.278) 2.653 5.875 ( 2.031 0.016 4.007) 4.492 8.232 ( 1.383 0.230 4.254) 4.479 8.279 ( -0.827 1.051 -2.875) 3.171 9.271 ( -0.203 -0.936 2.697) 2.862 9.345 ( -0.052 -2.966 -3.348) 4.473 10.966 ( -8.039 1.795 -6.388) 10.424 11.233 ( 10.993 2.112 9.517) 14.693 12.232 ( -10.884 -0.864 -11.372) 15.765 12.409 ( 5.217 1.763 7.294) 9.139 15.264 ( -3.898 -1.680 -0.629) 4.291 15.463 ( 5.416 -2.256 0.680) 5.906 16.408 ( -7.068 3.958 -0.323) 8.108 16.724 ( 7.249 2.876 0.090) 7.799 ======================= Grid point 206 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 3.627 -0.000 -3.819) 5.267 0.817 ( -1.081 0.000 -0.811) 1.351 0.845 ( 1.132 -0.000 2.658) 2.889 1.022 ( -2.231 0.000 -0.712) 2.342 1.218 ( 0.522 -0.000 4.426) 4.456 1.283 ( 0.350 -0.000 -3.090) 3.110 1.359 ( -0.743 0.000 4.341) 4.404 1.403 ( 0.279 -0.000 2.080) 2.099 1.485 ( -1.180 0.000 1.235) 1.709 1.581 ( -0.084 0.000 -3.678) 3.679 1.736 ( -1.277 0.000 0.982) 1.610 1.738 ( 4.689 -0.000 5.767) 7.433 1.815 ( 1.207 -0.000 -5.836) 5.960 1.910 ( 9.089 -0.000 5.101) 10.423 2.054 ( -5.649 0.000 -8.110) 9.883 2.298 ( -9.097 0.000 -4.008) 9.941 2.399 ( -2.820 0.000 -0.571) 2.877 2.434 ( 2.011 -0.000 -3.303) 3.867 2.861 ( 5.087 -0.000 0.254) 5.093 2.888 ( -0.045 0.000 3.010) 3.010 2.966 ( 7.973 -0.000 9.017) 12.036 3.093 ( -0.192 0.000 2.329) 2.336 3.117 ( -1.906 0.000 -1.100) 2.201 3.182 ( 1.736 -0.000 3.878) 4.248 3.251 ( -1.487 0.000 -2.001) 2.493 3.422 ( -5.943 0.000 -6.403) 8.736 3.729 ( 4.417 -0.000 -1.442) 4.646 3.850 ( -5.038 0.000 -2.420) 5.588 4.526 ( 3.683 -0.000 8.317) 9.096 4.729 ( -1.809 0.000 -2.329) 2.949 5.141 ( -1.599 0.000 2.074) 2.619 5.211 ( 6.022 -0.000 -3.158) 6.800 5.488 ( 0.176 -0.000 -3.461) 3.465 5.509 ( -4.568 0.000 -5.569) 7.203 6.019 ( 0.455 -0.000 7.307) 7.321 6.187 ( -0.744 0.000 -4.173) 4.238 8.317 ( 1.065 -0.000 15.382) 15.419 8.724 ( 4.728 -0.000 -9.203) 10.347 9.222 ( -8.020 0.000 0.855) 8.065 9.291 ( -2.059 0.000 -2.304) 3.090 10.467 ( 1.254 -0.000 2.639) 2.922 10.648 ( -5.407 0.000 -4.997) 7.362 11.536 ( 4.428 -0.000 5.520) 7.077 11.731 ( -1.320 0.000 -3.655) 3.886 15.248 ( 0.980 -0.000 3.039) 3.193 15.362 ( -0.401 0.000 -3.279) 3.303 16.820 ( -0.317 0.000 6.703) 6.710 16.966 ( 4.082 -0.000 -7.473) 8.515 ======================= Grid point 207 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.683 -5.478 1.989) 6.416 0.882 ( 1.222 -6.205 -3.136) 7.059 0.918 ( 5.411 -2.809 4.098) 7.346 0.999 ( -4.297 -1.975 -2.141) 5.192 1.218 ( -0.161 1.611 5.945) 6.162 1.275 ( -2.611 -0.259 0.419) 2.657 1.356 ( 2.590 1.038 0.481) 2.832 1.405 ( -0.615 -0.418 -0.784) 1.080 1.505 ( -0.409 -1.732 0.925) 2.005 1.560 ( 0.019 0.904 -4.027) 4.128 1.727 ( -1.088 -1.097 2.880) 3.268 1.763 ( 1.648 3.882 4.068) 5.860 1.833 ( 1.214 -2.726 -2.692) 4.019 1.950 ( -1.398 2.474 -6.666) 7.246 2.042 ( 8.116 -1.001 4.599) 9.382 2.178 ( -11.151 -0.584 -6.521) 12.931 2.395 ( -1.584 -0.387 1.479) 2.201 2.446 ( 1.307 -0.355 -3.047) 3.334 2.878 ( -0.409 1.179 2.953) 3.206 2.905 ( 3.080 1.510 0.973) 3.565 2.954 ( 4.691 7.918 3.971) 10.023 3.005 ( -0.413 8.158 -1.026) 8.233 3.103 ( 1.918 1.608 0.893) 2.658 3.118 ( -3.133 -0.962 -0.884) 3.394 3.385 ( 3.613 -8.034 2.838) 9.255 3.468 ( -4.189 -7.655 -4.701) 9.912 3.786 ( 5.737 -1.645 0.185) 5.971 3.832 ( -5.573 -4.100 -3.839) 7.913 4.559 ( 3.489 2.422 7.292) 8.439 4.671 ( -2.188 3.261 -3.012) 4.949 5.124 ( -2.503 0.754 2.849) 3.867 5.228 ( 4.458 2.498 -4.483) 6.797 5.466 ( -4.352 -1.162 -2.929) 5.374 5.486 ( 0.960 -0.393 -2.822) 3.007 6.030 ( 0.243 1.088 6.694) 6.786 6.145 ( -1.001 2.462 -3.348) 4.274 8.333 ( 1.427 3.614 15.446) 15.927 8.641 ( -2.989 5.810 -11.877) 13.556 9.204 ( 1.367 -0.754 3.594) 3.918 9.283 ( -1.417 -1.281 -3.386) 3.888 10.571 ( 3.706 -7.273 4.691) 9.415 10.691 ( -4.788 -9.814 -6.148) 12.531 11.650 ( 5.029 -6.524 6.145) 10.277 11.772 ( -3.869 -7.370 -4.763) 9.590 15.266 ( 1.589 0.250 2.731) 3.170 15.335 ( -0.470 1.388 -3.352) 3.658 16.807 ( -2.254 1.663 6.060) 6.676 16.955 ( 2.760 2.725 -6.976) 7.982 ======================= Grid point 208 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.692 -5.049 2.184) 6.124 0.968 ( 1.411 -1.724 0.022) 2.228 1.020 ( -5.023 -6.662 -3.455) 9.031 1.049 ( 2.425 -3.895 2.470) 5.211 1.200 ( 0.439 1.731 7.221) 7.439 1.254 ( -2.395 0.403 -0.326) 2.450 1.367 ( 2.453 0.179 0.799) 2.586 1.396 ( -1.605 0.127 -5.523) 5.753 1.504 ( -1.909 1.865 0.441) 2.705 1.555 ( 2.272 -0.122 -0.515) 2.332 1.690 ( -0.891 3.936 6.505) 7.655 1.791 ( 0.753 -3.615 1.090) 3.850 1.860 ( -5.885 -2.435 -7.851) 10.109 1.929 ( 5.213 -3.047 -0.921) 6.108 2.094 ( -6.819 -1.805 -4.050) 8.134 2.164 ( 7.974 -1.137 4.533) 9.243 2.366 ( -1.565 2.156 1.653) 3.135 2.447 ( 2.238 1.336 -2.830) 3.847 2.812 ( 0.887 7.105 2.838) 7.702 2.830 ( 0.233 6.352 1.351) 6.498 2.862 ( -1.940 1.501 -0.487) 2.501 2.919 ( -0.047 2.251 -3.360) 4.045 3.109 ( -2.998 -1.550 -1.893) 3.870 3.144 ( 4.394 -1.309 2.946) 5.450 3.505 ( -3.354 -3.210 -0.939) 4.736 3.586 ( 5.745 -5.247 -0.301) 7.786 3.865 ( -5.787 -6.154 -4.714) 9.674 3.903 ( 5.714 -4.003 3.404) 7.763 4.533 ( 1.861 4.665 4.746) 6.910 4.566 ( -1.663 4.872 -2.955) 5.936 5.079 ( -3.310 1.712 2.177) 4.316 5.188 ( 2.482 3.618 -3.562) 5.651 5.455 ( -4.171 -2.335 -1.211) 4.931 5.516 ( 2.185 -1.788 -1.262) 3.093 6.013 ( -0.062 2.517 5.123) 5.708 6.067 ( -1.346 3.796 -2.002) 4.497 8.304 ( 0.735 3.906 12.013) 12.654 8.467 ( -3.637 5.315 -9.334) 11.340 9.238 ( 0.316 -0.547 1.623) 1.742 9.295 ( 2.222 -0.256 -1.978) 2.986 10.790 ( 0.442 -9.829 2.590) 10.174 10.844 ( 1.667 -10.503 -2.355) 10.892 11.880 ( -6.299 -11.085 -5.764) 13.992 11.910 ( 7.400 -12.007 5.464) 15.126 15.272 ( -0.443 0.890 0.284) 1.034 15.309 ( 2.188 0.199 -1.162) 2.485 16.740 ( -5.500 3.517 4.127) 7.723 16.895 ( 2.595 4.132 -4.839) 6.872 ======================= Grid point 209 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.571 -1.152 0.649) 2.891 1.010 ( -1.059 -3.957 0.552) 4.133 1.073 ( -3.678 -3.467 -2.486) 5.632 1.122 ( -1.864 -2.674 0.851) 3.369 1.180 ( -2.847 0.268 0.728) 2.951 1.232 ( -1.951 -1.473 -0.082) 2.446 1.354 ( -0.453 1.276 -3.383) 3.644 1.400 ( 1.944 -0.027 3.985) 4.434 1.443 ( 2.810 3.932 5.403) 7.249 1.559 ( 4.481 4.281 -0.688) 6.236 1.637 ( -0.679 1.862 4.384) 4.811 1.775 ( 0.815 1.872 -8.926) 9.156 1.906 ( -4.083 -4.077 -0.428) 5.785 2.039 ( -7.138 -4.172 -5.031) 9.679 2.097 ( 6.375 -3.225 3.983) 8.180 2.250 ( 5.332 1.846 3.309) 6.541 2.357 ( -0.270 -4.563 1.198) 4.725 2.448 ( 4.806 0.279 -0.671) 4.860 2.709 ( -2.241 4.490 -4.189) 6.537 2.729 ( 0.518 3.791 2.144) 4.386 2.826 ( -2.582 0.376 -0.870) 2.750 2.862 ( -1.533 1.819 -1.260) 2.692 3.103 ( -2.912 -0.659 -2.391) 3.826 3.230 ( 6.385 -1.263 5.811) 8.725 3.501 ( -3.810 -1.013 -1.503) 4.219 3.697 ( 6.086 -0.312 -0.357) 6.104 3.907 ( -6.210 -5.600 -5.469) 9.992 4.043 ( 3.973 -4.521 4.812) 7.706 4.452 ( -0.104 5.350 1.966) 5.700 4.455 ( -1.090 4.937 -1.920) 5.408 5.023 ( -2.464 1.502 1.069) 3.077 5.139 ( 1.969 2.843 -1.236) 3.672 5.467 ( -3.906 -3.224 -0.590) 5.099 5.580 ( 2.360 -2.794 -0.315) 3.671 5.959 ( -1.455 3.525 1.085) 3.965 5.979 ( -0.529 4.075 1.205) 4.282 8.273 ( 0.297 2.363 6.967) 7.362 8.347 ( -1.963 2.972 -4.863) 6.028 9.246 ( -0.890 -0.841 -0.585) 1.357 9.311 ( 2.648 0.789 -0.116) 2.765 10.886 ( -6.074 -5.868 -6.263) 10.515 11.115 ( 10.878 -8.448 9.362) 16.654 11.991 ( -9.032 -10.384 -8.472) 16.161 12.231 ( 9.160 -10.759 4.739) 14.903 15.242 ( -1.539 0.662 -0.676) 1.807 15.362 ( 4.711 -2.208 0.101) 5.204 16.595 ( -8.342 5.376 1.093) 9.985 16.842 ( 2.804 3.321 -1.437) 4.578 ======================= Grid point 210 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.726 3.476 -1.312) 6.012 1.066 ( 0.028 1.678 -0.247) 1.696 1.080 ( -3.608 -3.773 -1.491) 5.429 1.105 ( -0.269 0.402 -0.150) 0.506 1.215 ( -2.797 -3.537 2.473) 5.143 1.245 ( -3.648 -1.790 3.336) 5.258 1.322 ( 2.960 3.234 0.900) 4.475 1.408 ( -1.636 -1.307 2.049) 2.930 1.447 ( 5.067 4.205 -0.004) 6.584 1.521 ( 6.119 1.661 2.868) 6.959 1.628 ( 0.851 -0.523 -2.939) 3.104 1.746 ( 1.082 0.517 -3.026) 3.255 1.905 ( -3.291 -0.718 -0.232) 3.377 1.998 ( -6.292 -0.991 -5.217) 8.234 2.205 ( 5.556 0.344 3.432) 6.540 2.243 ( 2.838 2.129 2.444) 4.308 2.456 ( 0.238 -2.033 0.326) 2.073 2.547 ( 4.739 -4.714 1.458) 6.841 2.605 ( -1.834 1.878 -5.738) 6.310 2.705 ( 1.229 0.577 3.283) 3.553 2.792 ( -3.515 -0.235 -3.763) 5.154 2.834 ( -2.768 -1.466 0.729) 3.216 3.043 ( -3.367 3.235 -2.732) 5.410 3.327 ( 8.130 1.193 8.549) 11.858 3.493 ( -1.329 -1.912 -1.362) 2.698 3.709 ( 3.066 2.781 0.200) 4.144 3.926 ( -7.834 -4.728 -6.953) 11.492 4.153 ( 2.402 -2.781 3.182) 4.861 4.357 ( -0.825 3.371 0.169) 3.475 4.368 ( -0.376 3.687 0.383) 3.726 4.990 ( -0.720 0.591 0.167) 0.946 5.120 ( 2.385 1.328 0.441) 2.765 5.495 ( -3.190 -3.274 -0.445) 4.592 5.650 ( 1.628 -2.506 -0.750) 3.081 5.877 ( -1.756 2.984 -1.194) 3.662 5.920 ( 0.362 2.599 2.972) 3.964 8.260 ( 0.034 0.679 1.703) 1.834 8.289 ( -0.198 1.498 0.196) 1.524 9.254 ( -0.894 -1.053 -1.019) 1.717 9.319 ( 1.407 0.198 0.037) 1.421 10.886 ( -5.553 -1.757 -5.321) 7.889 11.362 ( 12.382 -3.079 11.238) 17.002 12.034 ( -11.069 -6.197 -10.512) 16.475 12.456 ( 6.548 -3.810 3.659) 8.413 15.220 ( -1.564 -0.050 -0.532) 1.653 15.465 ( 5.070 -2.988 0.537) 5.909 16.421 ( -7.265 4.610 -0.167) 8.606 16.816 ( 2.664 1.999 -0.113) 3.333 ======================= Grid point 216 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.577 0.000 1.066) 6.663 0.808 ( -0.949 0.000 -0.016) 0.949 0.931 ( -2.184 0.000 -4.669) 5.154 0.957 ( 5.000 -0.000 4.097) 6.464 1.224 ( -2.470 0.000 2.779) 3.718 1.254 ( -2.647 0.000 0.754) 2.753 1.396 ( -1.218 0.000 2.693) 2.955 1.413 ( 3.424 -0.000 0.749) 3.505 1.504 ( 2.279 -0.000 1.448) 2.700 1.556 ( -0.740 0.000 -4.078) 4.144 1.697 ( -4.314 0.000 3.594) 5.614 1.807 ( 0.837 -0.000 -5.064) 5.133 1.866 ( 6.004 -0.000 8.064) 10.054 1.914 ( -4.041 0.000 -8.882) 9.758 2.032 ( -12.708 0.000 -6.103) 14.098 2.164 ( 12.885 -0.000 7.228) 14.773 2.379 ( -1.434 0.000 1.533) 2.099 2.437 ( 0.005 -0.000 -2.861) 2.861 2.864 ( -3.313 0.000 0.191) 3.319 2.934 ( 2.246 -0.000 -0.893) 2.417 3.075 ( -1.383 0.000 -1.760) 2.238 3.093 ( 0.900 -0.000 1.270) 1.557 3.167 ( 5.467 -0.000 5.931) 8.066 3.202 ( -2.920 0.000 -4.798) 5.616 3.279 ( 7.191 -0.000 6.393) 9.622 3.283 ( -4.773 0.000 -6.939) 8.422 3.739 ( -4.546 0.000 -2.351) 5.118 3.835 ( 7.765 -0.000 -1.017) 7.831 4.635 ( 3.492 -0.000 6.703) 7.558 4.667 ( -2.933 0.000 -4.088) 5.031 5.112 ( -3.559 0.000 3.481) 4.978 5.265 ( 1.662 -0.000 -9.182) 9.332 5.419 ( -2.870 0.000 2.206) 3.620 5.486 ( 1.395 -0.000 -1.793) 2.272 6.059 ( -0.048 0.000 7.160) 7.160 6.147 ( -1.368 0.000 -4.027) 4.253 8.432 ( 1.495 -0.000 16.647) 16.715 8.618 ( -7.604 0.000 -11.222) 13.556 9.239 ( 6.202 -0.000 2.136) 6.559 9.255 ( 0.502 -0.000 -1.975) 2.038 10.547 ( -2.627 0.000 -4.563) 5.265 10.547 ( 5.208 -0.000 4.060) 6.604 11.632 ( 2.672 -0.000 5.216) 5.861 11.655 ( -4.343 0.000 -5.032) 6.647 15.294 ( 1.923 -0.000 2.842) 3.431 15.335 ( -0.305 0.000 -4.592) 4.602 16.809 ( -3.993 0.000 6.451) 7.586 16.985 ( 1.801 -0.000 -7.856) 8.060 ======================= Grid point 217 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -4.278 -8.444 3.464) 10.080 0.815 ( -7.999 -5.594 -2.480) 10.071 0.955 ( 3.033 -1.994 -2.832) 4.604 1.019 ( 1.665 -1.569 2.824) 3.634 1.215 ( -3.570 -0.679 0.269) 3.644 1.243 ( 0.025 -0.923 5.786) 5.859 1.378 ( -1.807 1.233 0.302) 2.208 1.406 ( 1.545 2.211 -0.571) 2.757 1.521 ( 0.766 0.569 -1.347) 1.651 1.542 ( 0.122 -0.645 -1.376) 1.524 1.676 ( -5.768 -1.800 4.517) 7.544 1.767 ( -0.926 1.822 -2.209) 3.009 1.867 ( 0.450 3.886 0.370) 3.930 1.892 ( -2.739 -2.893 -7.289) 8.307 2.000 ( 1.146 -3.052 1.571) 3.619 2.269 ( 8.341 1.934 5.564) 10.211 2.382 ( 0.249 -0.459 1.556) 1.641 2.445 ( 0.047 -1.685 -1.990) 2.608 2.838 ( -3.119 -0.379 -0.211) 3.149 2.931 ( -0.407 1.619 -2.100) 2.682 2.964 ( -2.988 8.567 -4.730) 10.232 3.008 ( 0.107 9.846 0.052) 9.846 3.082 ( -0.322 0.822 0.141) 0.894 3.165 ( 2.859 -0.575 1.629) 3.340 3.379 ( -1.871 -7.162 -2.911) 7.954 3.516 ( 8.012 -9.073 3.040) 12.480 3.721 ( -3.943 -2.817 -2.271) 5.352 3.918 ( 7.563 -1.200 -0.138) 7.659 4.603 ( -2.850 2.518 -4.716) 6.059 4.647 ( 2.332 3.457 4.827) 6.379 5.074 ( -4.466 0.878 2.907) 5.400 5.234 ( -0.183 0.987 -7.976) 8.039 5.402 ( -2.588 0.393 3.889) 4.688 5.509 ( 2.288 -0.930 -0.214) 2.479 6.061 ( -0.479 1.548 5.608) 5.838 6.103 ( -1.502 1.997 -2.756) 3.720 8.419 ( -1.995 4.809 8.953) 10.357 8.490 ( -5.051 3.181 -4.133) 7.261 9.238 ( 1.522 1.457 0.294) 2.127 9.338 ( 7.412 -0.719 0.042) 7.447 10.598 ( -1.207 -7.447 -3.893) 8.489 10.712 ( 7.428 -9.657 5.059) 13.192 11.646 ( -6.232 -5.616 -5.698) 10.141 11.765 ( 4.149 -10.075 4.366) 11.738 15.297 ( 0.188 1.622 -1.374) 2.134 15.326 ( 1.831 -0.184 -0.914) 2.055 16.758 ( -5.676 2.685 5.321) 8.230 16.951 ( -0.013 2.062 -7.069) 7.364 ======================= Grid point 218 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -5.858 -6.858 -0.381) 9.027 0.886 ( -4.947 -5.436 -1.631) 7.529 1.014 ( 2.515 -2.102 -1.051) 3.443 1.051 ( -2.021 -2.012 1.147) 3.073 1.175 ( -3.486 1.402 -1.679) 4.115 1.248 ( -1.028 2.778 4.410) 5.312 1.340 ( -2.322 -0.494 -1.563) 2.842 1.416 ( 1.321 -0.923 1.778) 2.400 1.502 ( 1.078 0.529 1.233) 1.721 1.594 ( -0.088 -3.552 2.734) 4.483 1.677 ( -2.835 -1.351 3.913) 5.017 1.759 ( -0.143 -0.564 -4.778) 4.813 1.820 ( 0.494 -0.249 0.203) 0.589 1.895 ( -2.961 -1.850 -6.707) 7.561 2.110 ( 6.857 -3.527 4.970) 9.174 2.294 ( 1.279 -0.068 2.918) 3.187 2.377 ( 2.374 3.137 0.285) 3.944 2.496 ( 3.658 -2.004 -0.115) 4.172 2.767 ( -3.356 6.117 -4.009) 8.047 2.791 ( -2.635 4.989 -4.022) 6.928 2.834 ( -2.785 3.606 0.120) 4.558 2.896 ( -0.825 2.943 -0.628) 3.120 3.073 ( -0.279 -0.073 -0.672) 0.732 3.244 ( 3.325 -3.726 3.335) 6.005 3.448 ( -0.420 -2.205 -1.529) 2.716 3.688 ( 0.997 -3.649 -1.786) 4.183 3.782 ( 2.953 -4.602 -2.270) 5.920 4.011 ( 3.346 -3.203 2.859) 5.443 4.508 ( -2.239 3.562 -4.597) 6.231 4.575 ( 0.438 6.370 2.766) 6.959 5.021 ( -3.797 0.982 1.749) 4.295 5.193 ( 0.334 1.948 -3.290) 3.838 5.386 ( -3.564 -1.372 3.369) 5.093 5.559 ( 2.486 -1.841 0.804) 3.197 6.004 ( -2.506 3.295 -0.845) 4.225 6.050 ( -0.186 3.141 2.748) 4.178 8.314 ( -4.176 2.645 -1.295) 5.110 8.401 ( -0.772 4.207 4.608) 6.287 9.229 ( 0.344 0.549 0.700) 0.954 9.380 ( 5.441 2.318 -0.545) 5.939 10.716 ( -1.749 -6.655 -4.393) 8.163 11.037 ( 10.754 -13.126 8.840) 19.133 11.701 ( -8.432 -8.915 -7.819) 14.551 12.085 ( 8.866 -14.932 2.397) 17.530 15.258 ( -0.010 1.823 -1.511) 2.368 15.365 ( 3.497 -1.619 -0.078) 3.854 16.623 ( -8.184 5.519 1.734) 10.022 16.893 ( -1.319 1.862 -3.041) 3.802 ======================= Grid point 219 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -4.724 0.347 -1.857) 5.088 0.930 ( -4.966 -6.979 -0.987) 8.622 1.057 ( 0.543 -1.599 -0.058) 1.690 1.086 ( -2.748 -4.145 0.649) 5.016 1.117 ( -2.100 -0.948 -5.124) 5.618 1.201 ( -1.780 1.618 5.802) 6.281 1.342 ( -0.543 -0.911 -1.266) 1.651 1.421 ( 0.089 0.937 5.264) 5.347 1.535 ( 1.857 -0.326 1.645) 2.502 1.637 ( 2.717 2.950 1.563) 4.304 1.668 ( 2.042 1.104 0.885) 2.484 1.740 ( 0.617 0.557 -5.202) 5.268 1.866 ( -4.099 -4.192 -0.870) 5.927 1.878 ( -2.219 -0.476 -2.486) 3.366 2.255 ( 6.383 -1.833 5.187) 8.426 2.319 ( 1.788 2.958 -0.401) 3.479 2.372 ( 0.826 -6.397 2.666) 6.980 2.551 ( 3.942 1.827 -2.604) 5.065 2.640 ( -1.293 2.889 -3.984) 5.089 2.681 ( -4.108 0.462 -2.642) 4.907 2.762 ( -3.825 0.266 -1.995) 4.322 2.845 ( 0.080 2.772 2.967) 4.062 3.055 ( -1.404 1.528 -1.215) 2.404 3.377 ( 3.623 -5.975 2.776) 7.519 3.460 ( 1.779 1.065 0.976) 2.291 3.725 ( -3.750 -2.866 -3.914) 6.132 3.830 ( 1.917 1.491 -1.896) 3.081 4.122 ( 2.460 -4.385 3.152) 5.934 4.415 ( -1.420 3.337 -3.303) 4.905 4.451 ( -0.940 6.611 1.291) 6.801 4.985 ( -2.114 0.165 0.761) 2.253 5.156 ( -0.248 1.393 -0.097) 1.418 5.414 ( -1.444 -3.087 2.606) 4.291 5.622 ( 2.069 -2.242 0.480) 3.089 5.912 ( -2.601 3.320 -1.700) 4.547 5.988 ( -0.335 3.768 2.450) 4.507 8.254 ( -2.664 0.335 -1.249) 2.961 8.341 ( 0.318 2.929 3.215) 4.361 9.228 ( -0.358 -0.259 0.843) 0.951 9.367 ( 2.961 2.642 -0.718) 4.033 10.784 ( -2.074 -3.873 -3.393) 5.551 11.395 ( 12.979 -9.532 11.981) 20.071 11.760 ( -10.562 -8.802 -9.993) 16.997 12.410 ( 8.686 -9.300 -0.374) 12.730 15.227 ( 0.350 1.352 -0.739) 1.580 15.451 ( 4.376 -3.188 0.329) 5.424 16.442 ( -7.759 5.125 -0.055) 9.299 16.846 ( -2.120 0.969 -0.603) 2.407 ======================= Grid point 226 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -6.300 0.000 4.672) 7.844 0.698 ( -7.908 0.000 1.879) 8.129 0.957 ( 3.728 -0.000 -3.268) 4.957 1.015 ( -1.927 0.000 0.448) 1.978 1.198 ( 0.301 -0.000 3.827) 3.839 1.210 ( -2.247 0.000 0.854) 2.404 1.402 ( -0.696 0.000 5.688) 5.731 1.420 ( -3.401 0.000 -0.534) 3.442 1.529 ( -0.106 0.000 -1.594) 1.598 1.562 ( 3.652 -0.000 -1.662) 4.013 1.602 ( -8.204 0.000 1.248) 8.298 1.776 ( -4.657 0.000 -2.170) 5.138 1.789 ( -0.449 0.000 -4.074) 4.098 1.906 ( 1.258 -0.000 -4.751) 4.915 2.025 ( 5.812 -0.000 7.912) 9.817 2.351 ( -2.207 0.000 0.943) 2.400 2.389 ( 1.633 -0.000 -1.444) 2.180 2.424 ( 4.737 -0.000 3.466) 5.870 2.810 ( -0.739 0.000 0.382) 0.832 2.931 ( -1.083 0.000 -3.087) 3.272 2.986 ( -6.164 0.000 -9.196) 11.071 3.095 ( -1.524 0.000 2.438) 2.875 3.149 ( 0.880 -0.000 -2.344) 2.504 3.188 ( -2.900 0.000 -2.318) 3.712 3.262 ( 3.064 -0.000 2.584) 4.007 3.498 ( 11.870 -0.000 4.640) 12.744 3.668 ( -2.401 0.000 -0.910) 2.568 3.982 ( 8.137 -0.000 -5.044) 9.573 4.584 ( -3.134 0.000 -5.830) 6.619 4.712 ( 1.659 -0.000 3.626) 3.987 5.043 ( -5.208 0.000 3.042) 6.031 5.207 ( -1.265 0.000 -5.623) 5.763 5.412 ( -1.272 0.000 4.575) 4.749 5.524 ( 2.641 -0.000 1.216) 2.907 6.093 ( -0.045 0.000 6.708) 6.708 6.094 ( -2.205 0.000 -4.040) 4.602 8.417 ( -8.507 0.000 -5.509) 10.135 8.490 ( -3.125 0.000 8.238) 8.811 9.350 ( 9.491 -0.000 7.005) 11.796 9.386 ( 8.899 -0.000 -2.420) 9.222 10.512 ( 0.983 -0.000 -2.762) 2.932 10.690 ( 7.528 -0.000 4.521) 8.781 11.527 ( -6.256 0.000 -5.101) 8.072 11.683 ( 0.317 -0.000 3.581) 3.596 15.312 ( 0.776 -0.000 -4.848) 4.910 15.337 ( 1.374 -0.000 1.690) 2.178 16.752 ( -5.602 0.000 6.698) 8.732 16.930 ( -3.623 0.000 -10.203) 10.827 ======================= Grid point 227 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -7.348 -6.331 -0.737) 9.727 0.713 ( -4.213 -8.006 6.073) 10.896 0.967 ( -2.529 -1.051 -2.586) 3.767 1.022 ( -0.148 -3.012 -2.078) 3.662 1.168 ( -0.850 1.467 1.645) 2.362 1.271 ( -1.791 -1.568 2.802) 3.676 1.330 ( -3.876 3.521 5.780) 7.799 1.412 ( 0.659 0.527 -2.281) 2.433 1.479 ( -3.095 -1.644 0.741) 3.582 1.540 ( -2.282 -0.615 1.542) 2.822 1.630 ( 0.627 -1.286 1.222) 1.882 1.764 ( 0.346 -1.165 0.458) 1.299 1.777 ( -1.904 -0.304 -4.243) 4.661 1.908 ( 3.486 0.882 -3.839) 5.260 2.117 ( 4.682 -2.851 5.829) 8.002 2.313 ( -1.885 1.123 1.456) 2.633 2.409 ( -1.057 -3.355 -2.418) 4.269 2.467 ( 2.300 0.917 -0.662) 2.563 2.821 ( 0.441 1.316 -0.779) 1.592 2.842 ( -4.906 5.291 -5.822) 9.271 2.889 ( -1.317 2.359 -2.623) 3.765 2.988 ( -1.535 8.617 -0.474) 8.765 3.097 ( 1.024 2.154 0.328) 2.408 3.193 ( 0.057 -2.516 1.101) 2.747 3.380 ( 2.182 -5.956 0.948) 6.414 3.644 ( -0.526 -0.565 -0.489) 0.914 3.723 ( 9.298 -7.924 1.028) 12.259 4.013 ( 2.443 0.611 -7.206) 7.633 4.525 ( -2.154 1.916 -5.358) 6.085 4.688 ( 0.105 4.185 1.952) 4.619 4.999 ( -4.664 0.406 2.469) 5.293 5.197 ( -0.152 -0.169 -2.698) 2.708 5.385 ( -1.639 2.121 6.714) 7.229 5.563 ( 2.727 -0.845 2.244) 3.632 6.031 ( -2.888 2.667 -2.551) 4.686 6.100 ( -0.046 1.311 4.342) 4.536 8.303 ( -6.632 2.270 -2.334) 7.388 8.453 ( -4.162 1.536 3.606) 5.717 9.336 ( 7.146 7.418 5.379) 11.620 9.490 ( 9.089 2.354 -0.457) 9.400 10.592 ( 2.132 -5.749 -2.332) 6.560 10.898 ( 9.064 -12.190 5.703) 16.226 11.490 ( -6.985 -3.990 -5.102) 9.526 11.860 ( 4.800 -15.885 1.094) 16.631 15.293 ( 1.319 1.721 -2.534) 3.335 15.365 ( 2.192 -1.245 0.265) 2.534 16.655 ( -7.925 5.245 2.715) 9.884 16.861 ( -6.239 -0.594 -6.489) 9.022 ======================= Grid point 228 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -4.751 -8.631 -1.356) 9.945 0.793 ( -5.594 -4.056 1.314) 7.033 0.975 ( -4.636 -3.634 -0.925) 5.962 1.083 ( -2.821 0.847 -7.362) 7.929 1.087 ( 2.793 2.400 0.992) 3.813 1.239 ( -1.896 1.177 3.442) 4.103 1.296 ( -1.966 -2.585 3.869) 5.051 1.444 ( 0.302 -0.251 4.917) 4.933 1.525 ( -1.899 -0.626 0.566) 2.078 1.558 ( -1.400 -6.348 2.826) 7.088 1.688 ( 0.998 -3.926 1.791) 4.429 1.735 ( -3.228 0.450 -5.053) 6.013 1.790 ( 2.931 1.336 -2.648) 4.170 1.922 ( 3.889 0.664 1.193) 4.122 2.252 ( 3.687 -5.802 5.092) 8.555 2.308 ( 0.656 -1.013 2.883) 3.125 2.403 ( 0.617 4.058 -4.176) 5.855 2.507 ( -1.421 -6.248 -3.525) 7.314 2.662 ( -4.749 5.122 -6.732) 9.701 2.741 ( -5.106 5.091 -3.458) 7.996 2.780 ( 1.993 7.814 -0.269) 8.068 2.905 ( 1.732 1.660 3.420) 4.177 3.077 ( 0.415 1.369 0.043) 1.431 3.259 ( -2.038 -5.144 -1.921) 5.857 3.499 ( 4.050 -2.454 3.382) 5.820 3.650 ( -0.348 -1.702 -0.526) 1.815 3.887 ( 4.854 1.647 -6.193) 8.039 4.030 ( -1.118 -7.070 0.579) 7.182 4.453 ( -0.680 3.006 -3.965) 5.022 4.579 ( -1.073 7.044 1.106) 7.211 4.963 ( -3.184 -0.088 1.497) 3.519 5.164 ( -3.424 1.362 -0.976) 3.812 5.390 ( 2.575 -0.652 7.981) 8.411 5.613 ( 2.489 -1.266 2.102) 3.495 5.940 ( -3.187 3.109 -2.493) 5.102 6.060 ( -0.628 3.555 2.439) 4.357 8.225 ( -3.966 0.339 -0.362) 3.997 8.390 ( -2.640 2.078 1.105) 3.537 9.280 ( 3.068 4.793 5.692) 8.049 9.470 ( 4.902 5.209 -2.139) 7.465 10.696 ( 1.097 -4.255 -1.582) 4.670 11.283 ( 8.582 -16.348 6.571) 19.599 11.514 ( -5.597 -6.157 -4.165) 9.305 12.259 ( 9.898 -16.131 -4.490) 19.451 15.268 ( 1.912 2.030 -0.777) 2.895 15.433 ( 3.616 -2.818 0.259) 4.592 16.465 ( -8.731 5.541 -0.388) 10.348 16.804 ( -6.958 -0.791 -1.569) 7.177 ======================= Grid point 236 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -4.024 0.000 9.525) 10.341 0.596 ( -5.249 0.000 7.150) 8.870 0.913 ( -6.486 0.000 -3.238) 7.250 0.956 ( -2.370 0.000 -2.793) 3.663 1.186 ( -1.847 0.000 2.724) 3.291 1.263 ( 2.843 -0.000 4.391) 5.231 1.355 ( -4.017 0.000 5.151) 6.532 1.421 ( -0.598 0.000 6.007) 6.037 1.431 ( -4.718 0.000 -5.597) 7.320 1.525 ( -0.637 0.000 -0.236) 0.679 1.611 ( 2.895 -0.000 -3.748) 4.736 1.738 ( -3.155 0.000 -3.855) 4.981 1.779 ( 2.039 -0.000 5.025) 5.423 1.939 ( 4.042 -0.000 -4.725) 6.218 2.120 ( 0.056 -0.000 3.056) 3.056 2.311 ( -2.310 0.000 0.782) 2.439 2.331 ( -2.470 0.000 -2.300) 3.375 2.500 ( 1.363 -0.000 -3.294) 3.565 2.797 ( -6.288 0.000 -9.257) 11.190 2.881 ( -1.951 0.000 -3.627) 4.118 2.888 ( 3.757 -0.000 5.522) 6.679 3.072 ( -1.888 0.000 1.841) 2.637 3.119 ( -0.834 0.000 -2.635) 2.764 3.228 ( 4.845 -0.000 3.990) 6.276 3.309 ( 0.872 -0.000 1.208) 1.489 3.638 ( -0.248 0.000 -0.316) 0.401 3.720 ( 8.116 -0.000 2.331) 8.444 4.004 ( -0.354 0.000 -17.503) 17.506 4.519 ( -0.348 0.000 -3.766) 3.782 4.726 ( -1.204 0.000 0.267) 1.233 4.967 ( -4.362 0.000 2.823) 5.196 5.184 ( -1.708 0.000 -1.756) 2.449 5.443 ( 4.194 -0.000 8.948) 9.882 5.587 ( 2.666 -0.000 3.284) 4.230 6.026 ( -2.798 0.000 -4.002) 4.883 6.122 ( -0.483 0.000 5.748) 5.768 8.258 ( -7.038 0.000 -0.002) 7.038 8.412 ( -6.138 0.000 -0.621) 6.170 9.540 ( 9.858 -0.000 -4.957) 11.034 9.655 ( 16.217 -0.000 10.689) 19.423 10.551 ( 3.820 -0.000 -0.332) 3.834 10.855 ( 7.269 -0.000 3.053) 7.884 11.396 ( -4.655 0.000 -2.309) 5.196 11.682 ( -1.691 0.000 1.403) 2.197 15.329 ( 3.577 -0.000 -2.662) 4.459 15.365 ( 1.104 -0.000 1.198) 1.629 16.667 ( -7.121 0.000 5.869) 9.228 16.722 ( -12.871 0.000 -11.573) 17.309 ======================= Grid point 237 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -4.004 -4.423 5.674) 8.233 0.660 ( -5.063 -5.465 6.084) 9.619 0.865 ( -6.054 -2.241 -3.100) 7.161 0.999 ( 0.823 -6.490 -0.946) 6.610 1.163 ( -7.220 1.233 -3.557) 8.143 1.216 ( 3.165 4.358 3.006) 6.168 1.307 ( -2.425 1.767 7.870) 8.423 1.440 ( 1.033 -1.971 4.267) 4.812 1.464 ( -0.973 -3.280 3.885) 5.177 1.509 ( -0.296 0.399 -0.828) 0.965 1.650 ( 0.689 -1.602 -2.281) 2.872 1.694 ( -3.572 -0.199 -5.618) 6.660 1.827 ( 3.686 -0.941 3.863) 5.421 1.961 ( 3.853 0.200 -2.601) 4.653 2.167 ( -1.666 -5.625 0.127) 5.868 2.276 ( -2.151 -0.486 0.517) 2.265 2.375 ( -0.647 -5.081 -1.360) 5.300 2.468 ( 0.497 3.023 -5.435) 6.239 2.683 ( -5.645 3.486 -7.299) 9.864 2.792 ( -2.910 5.301 -3.214) 6.849 2.953 ( 4.026 -0.356 4.916) 6.364 2.970 ( 0.331 8.818 0.671) 8.849 3.102 ( -0.339 0.833 -0.205) 0.922 3.202 ( -0.243 1.934 0.517) 2.017 3.446 ( 2.880 -7.120 3.431) 8.412 3.645 ( 2.316 -0.235 0.700) 2.431 3.846 ( -6.134 -7.843 -4.111) 10.772 3.941 ( 5.075 1.219 -11.220) 12.374 4.496 ( 1.051 2.074 -2.235) 3.225 4.672 ( -2.034 3.938 -0.417) 4.452 4.936 ( -3.246 0.021 2.167) 3.903 5.136 ( -6.353 0.753 -1.699) 6.619 5.497 ( 9.321 3.378 10.688) 14.578 5.630 ( 3.103 -0.650 3.745) 4.907 5.957 ( -3.204 2.798 -3.088) 5.257 6.112 ( -1.254 1.936 3.230) 3.969 8.194 ( -4.829 0.431 1.655) 5.123 8.362 ( -5.085 -0.647 -2.124) 5.549 9.508 ( 8.020 10.848 2.936) 13.806 9.664 ( 7.882 10.565 2.215) 13.366 10.641 ( 3.401 -3.655 -0.087) 4.993 11.048 ( 2.486 -12.609 -0.460) 12.860 11.394 ( 0.350 -4.440 2.636) 5.176 11.953 ( 5.833 -22.999 -6.082) 24.494 15.331 ( 3.468 2.214 -0.095) 4.116 15.417 ( 3.370 -2.432 0.396) 4.174 16.475 ( -11.113 5.351 -2.307) 12.548 16.676 ( -10.481 -3.538 -0.837) 11.094 ======================= Grid point 246 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -5.279 0.000 9.521) 10.886 0.561 ( 0.314 -0.000 12.571) 12.575 0.778 ( -5.364 0.000 -4.170) 6.794 0.930 ( 1.109 -0.000 7.063) 7.149 1.111 ( -4.971 0.000 -7.158) 8.714 1.310 ( -3.079 0.000 8.495) 9.036 1.315 ( 0.131 -0.000 1.866) 1.871 1.435 ( 3.225 -0.000 1.705) 3.648 1.436 ( -0.796 0.000 5.007) 5.070 1.520 ( 0.726 -0.000 -1.356) 1.539 1.615 ( -2.471 0.000 -3.739) 4.481 1.645 ( -1.531 0.000 -6.645) 6.819 1.865 ( 4.006 -0.000 6.501) 7.636 1.989 ( 3.425 -0.000 -4.137) 5.371 2.062 ( -4.396 0.000 -2.956) 5.298 2.284 ( -0.857 0.000 1.401) 1.642 2.298 ( -1.011 0.000 -1.527) 1.832 2.472 ( -1.859 0.000 -8.818) 9.012 2.657 ( -3.132 0.000 -2.415) 3.955 2.831 ( -1.782 0.000 -3.551) 3.973 2.976 ( 2.278 -0.000 4.001) 4.604 3.048 ( -1.570 0.000 1.372) 2.085 3.128 ( 2.225 -0.000 0.824) 2.373 3.304 ( -1.516 0.000 -0.781) 1.706 3.343 ( 3.467 -0.000 4.937) 6.032 3.657 ( -11.465 0.000 -7.748) 13.837 3.678 ( 4.434 -0.000 2.350) 5.019 3.970 ( 4.687 -0.000 -9.388) 10.493 4.527 ( 2.053 -0.000 -0.950) 2.262 4.681 ( -2.887 0.000 -1.504) 3.255 4.916 ( -2.256 0.000 2.089) 3.075 5.069 ( -8.073 0.000 -1.469) 8.206 5.652 ( 2.296 -0.000 4.126) 4.722 5.688 ( 14.189 -0.000 5.907) 15.370 5.962 ( -1.106 0.000 -2.912) 3.115 6.119 ( -2.900 0.000 3.982) 4.926 8.159 ( -4.495 0.000 3.640) 5.784 8.299 ( -3.976 0.000 -3.707) 5.436 9.705 ( 10.098 -0.000 -3.748) 10.771 9.931 ( 6.784 -0.000 0.659) 6.816 10.640 ( 4.943 -0.000 2.056) 5.354 10.928 ( -0.587 0.000 -2.883) 2.942 11.391 ( 4.137 -0.000 3.186) 5.222 11.639 ( -2.993 0.000 -0.732) 3.082 15.398 ( 1.812 -0.000 1.592) 2.412 15.421 ( 6.156 -0.000 -0.359) 6.166 16.406 ( -12.589 0.000 -3.451) 13.053 16.541 ( -8.738 0.000 2.933) 9.217 =================== 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 3/19440 10.0 102.778 125.254 115.115 -0.000 12.034 -0.000 3/19440 20.0 23.188 33.153 27.517 -0.000 4.557 -0.000 3/19440 30.0 11.772 16.392 13.926 -0.000 2.783 -0.000 3/19440 40.0 7.722 10.459 9.048 -0.000 2.010 -0.000 3/19440 50.0 5.719 7.602 6.654 -0.000 1.579 -0.000 3/19440 60.0 4.542 5.960 5.260 -0.000 1.304 -0.000 3/19440 70.0 3.773 4.905 4.355 -0.000 1.113 -0.000 3/19440 80.0 3.233 4.172 3.722 -0.000 0.972 -0.000 3/19440 90.0 2.834 3.635 3.256 -0.000 0.865 -0.000 3/19440 100.0 2.527 3.225 2.897 -0.000 0.780 -0.000 3/19440 110.0 2.283 2.901 2.612 -0.000 0.711 -0.000 3/19440 120.0 2.085 2.638 2.381 -0.000 0.655 -0.000 3/19440 130.0 1.921 2.422 2.189 -0.000 0.607 -0.000 3/19440 140.0 1.782 2.239 2.026 -0.000 0.565 -0.000 3/19440 150.0 1.664 2.083 1.887 -0.000 0.530 -0.000 3/19440 160.0 1.561 1.949 1.767 -0.000 0.499 -0.000 3/19440 170.0 1.471 1.831 1.661 -0.000 0.471 -0.000 3/19440 180.0 1.391 1.727 1.568 -0.000 0.447 -0.000 3/19440 190.0 1.320 1.635 1.485 -0.000 0.424 -0.000 3/19440 200.0 1.256 1.552 1.410 -0.000 0.404 -0.000 3/19440 210.0 1.199 1.478 1.343 -0.000 0.386 -0.000 3/19440 220.0 1.146 1.410 1.282 -0.000 0.370 -0.000 3/19440 230.0 1.098 1.349 1.226 -0.000 0.355 -0.000 3/19440 240.0 1.055 1.292 1.176 -0.000 0.341 -0.000 3/19440 250.0 1.014 1.241 1.129 -0.000 0.328 -0.000 3/19440 260.0 0.977 1.193 1.086 -0.000 0.316 -0.000 3/19440 270.0 0.942 1.149 1.046 -0.000 0.305 -0.000 3/19440 280.0 0.910 1.108 1.009 -0.000 0.294 -0.000 3/19440 290.0 0.880 1.070 0.974 -0.000 0.284 -0.000 3/19440 300.0 0.852 1.035 0.942 -0.000 0.275 -0.000 3/19440 310.0 0.826 1.001 0.912 -0.000 0.267 -0.000 3/19440 320.0 0.801 0.970 0.883 -0.000 0.259 -0.000 3/19440 330.0 0.778 0.941 0.857 -0.000 0.251 -0.000 3/19440 340.0 0.756 0.914 0.832 -0.000 0.244 -0.000 3/19440 350.0 0.735 0.888 0.808 -0.000 0.237 -0.000 3/19440 360.0 0.715 0.863 0.786 -0.000 0.231 -0.000 3/19440 370.0 0.697 0.840 0.765 -0.000 0.225 -0.000 3/19440 380.0 0.679 0.818 0.745 -0.000 0.219 -0.000 3/19440 390.0 0.662 0.797 0.726 -0.000 0.214 -0.000 3/19440 400.0 0.646 0.777 0.708 -0.000 0.209 -0.000 3/19440 410.0 0.631 0.759 0.691 -0.000 0.204 -0.000 3/19440 420.0 0.617 0.741 0.675 -0.000 0.199 -0.000 3/19440 430.0 0.603 0.723 0.659 -0.000 0.194 -0.000 3/19440 440.0 0.589 0.707 0.644 -0.000 0.190 -0.000 3/19440 450.0 0.577 0.692 0.630 -0.000 0.186 -0.000 3/19440 460.0 0.565 0.677 0.616 -0.000 0.182 -0.000 3/19440 470.0 0.553 0.662 0.603 -0.000 0.178 -0.000 3/19440 480.0 0.542 0.649 0.591 -0.000 0.175 -0.000 3/19440 490.0 0.531 0.635 0.579 -0.000 0.171 -0.000 3/19440 500.0 0.521 0.623 0.567 -0.000 0.168 -0.000 3/19440 510.0 0.511 0.611 0.556 -0.000 0.165 -0.000 3/19440 520.0 0.501 0.599 0.546 -0.000 0.162 -0.000 3/19440 530.0 0.492 0.588 0.536 -0.000 0.159 -0.000 3/19440 540.0 0.483 0.577 0.526 -0.000 0.156 -0.000 3/19440 550.0 0.474 0.566 0.516 -0.000 0.153 -0.000 3/19440 560.0 0.466 0.556 0.507 -0.000 0.150 -0.000 3/19440 570.0 0.458 0.547 0.498 -0.000 0.148 -0.000 3/19440 580.0 0.450 0.537 0.490 -0.000 0.145 -0.000 3/19440 590.0 0.443 0.528 0.481 -0.000 0.143 -0.000 3/19440 600.0 0.436 0.519 0.473 -0.000 0.140 -0.000 3/19440 610.0 0.429 0.511 0.466 -0.000 0.138 -0.000 3/19440 620.0 0.422 0.503 0.458 -0.000 0.136 -0.000 3/19440 630.0 0.415 0.495 0.451 -0.000 0.134 -0.000 3/19440 640.0 0.409 0.487 0.444 -0.000 0.132 -0.000 3/19440 650.0 0.403 0.480 0.437 -0.000 0.130 -0.000 3/19440 660.0 0.397 0.472 0.431 -0.000 0.128 -0.000 3/19440 670.0 0.391 0.465 0.424 -0.000 0.126 -0.000 3/19440 680.0 0.385 0.459 0.418 -0.000 0.124 -0.000 3/19440 690.0 0.380 0.452 0.412 -0.000 0.122 -0.000 3/19440 700.0 0.374 0.446 0.406 -0.000 0.121 -0.000 3/19440 710.0 0.369 0.439 0.400 -0.000 0.119 -0.000 3/19440 720.0 0.364 0.433 0.395 -0.000 0.117 -0.000 3/19440 730.0 0.359 0.427 0.390 -0.000 0.116 -0.000 3/19440 740.0 0.355 0.422 0.384 -0.000 0.114 -0.000 3/19440 750.0 0.350 0.416 0.379 -0.000 0.113 -0.000 3/19440 760.0 0.345 0.411 0.374 -0.000 0.111 -0.000 3/19440 770.0 0.341 0.405 0.369 -0.000 0.110 -0.000 3/19440 780.0 0.337 0.400 0.365 -0.000 0.108 -0.000 3/19440 790.0 0.332 0.395 0.360 -0.000 0.107 -0.000 3/19440 800.0 0.328 0.390 0.356 -0.000 0.106 -0.000 3/19440 810.0 0.324 0.385 0.351 -0.000 0.104 -0.000 3/19440 820.0 0.320 0.381 0.347 -0.000 0.103 -0.000 3/19440 830.0 0.317 0.376 0.343 -0.000 0.102 -0.000 3/19440 840.0 0.313 0.372 0.339 -0.000 0.101 -0.000 3/19440 850.0 0.309 0.367 0.335 -0.000 0.099 -0.000 3/19440 860.0 0.306 0.363 0.331 -0.000 0.098 -0.000 3/19440 870.0 0.302 0.359 0.327 -0.000 0.097 -0.000 3/19440 880.0 0.299 0.355 0.323 -0.000 0.096 -0.000 3/19440 890.0 0.295 0.351 0.320 -0.000 0.095 -0.000 3/19440 900.0 0.292 0.347 0.316 -0.000 0.094 -0.000 3/19440 910.0 0.289 0.343 0.313 -0.000 0.093 -0.000 3/19440 920.0 0.286 0.339 0.309 -0.000 0.092 -0.000 3/19440 930.0 0.283 0.336 0.306 -0.000 0.091 -0.000 3/19440 940.0 0.280 0.332 0.303 -0.000 0.090 -0.000 3/19440 950.0 0.277 0.329 0.300 -0.000 0.089 -0.000 3/19440 960.0 0.274 0.325 0.297 -0.000 0.088 -0.000 3/19440 970.0 0.271 0.322 0.293 -0.000 0.087 -0.000 3/19440 980.0 0.269 0.319 0.290 -0.000 0.086 -0.000 3/19440 990.0 0.266 0.315 0.288 -0.000 0.086 -0.000 3/19440 1000.0 0.263 0.312 0.285 -0.000 0.085 -0.000 3/19440 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:27:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|