----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:41:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.069399640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.511479619999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.50000000000000 0.25325896556258 22.990 2 Na 0.50000000000000 0.00000000000000 0.24674103443742 22.990 3 Na 0.00000000000000 0.50000000000000 0.74674103443742 22.990 4 Na 0.50000000000000 0.00000000000000 0.75325896556258 22.990 *5 Cl 0.16252617733302 0.60576581540733 0.50000000000000 35.453 *6 Cl 0.50000000000000 0.50000000000000 0.71129247470743 35.453 7 Cl 0.00000000000000 0.00000000000000 0.78870752529257 35.453 8 Cl 0.50000000000000 0.50000000000000 0.28870752529257 35.453 9 Cl 0.00000000000000 0.00000000000000 0.21129247470743 35.453 10 Cl 0.83747382266698 0.39423418459267 0.50000000000000 35.453 11 Cl 0.33747382266698 0.10576581540733 0.00000000000000 35.453 *12 Cl 0.16972293545243 0.29264613389725 0.72507439348412 35.453 13 Cl 0.83027706454757 0.70735386610275 0.27492560651587 35.453 14 Cl 0.33027706454757 0.79264613389725 0.22507439348413 35.453 15 Cl 0.16972293545243 0.29264613389725 0.27492560651587 35.453 16 Cl 0.66972293545243 0.20735386610275 0.22507439348413 35.453 17 Cl 0.83027706454757 0.70735386610275 0.72507439348412 35.453 18 Cl 0.66972293545243 0.20735386610275 0.77492560651588 35.453 *19 Cl 0.68463358110509 0.92988943318310 0.50000000000000 35.453 20 Cl 0.33027706454757 0.79264613389725 0.77492560651588 35.453 21 Cl 0.81536641889491 0.42988943318310 0.00000000000000 35.453 22 Cl 0.31536641889491 0.07011056681690 0.50000000000000 35.453 23 Cl 0.18463358110509 0.57011056681690 0.00000000000000 35.453 24 Cl 0.66252617733302 0.89423418459267 0.00000000000000 35.453 *25 Sn 0.96731465441074 0.82745086007869 0.00000000000000 118.710 *26 Sn 0.03305464693928 0.17332293212476 0.50000000000000 118.710 27 Sn 0.53305464693928 0.32667706787524 0.00000000000000 118.710 28 Sn 0.96694535306072 0.82667706787524 0.50000000000000 118.710 29 Sn 0.46694535306072 0.67332293212476 0.00000000000000 118.710 30 Sn 0.53268534558926 0.32745086007869 0.50000000000000 118.710 31 Sn 0.03268534558926 0.17254913992131 0.00000000000000 118.710 32 Sn 0.46731465441074 0.67254913992131 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.069399640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.511479619999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.50000000000000 0.25325896556258 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.24674103443742 22.990 > 2 3 Na 0.00000000000000 0.50000000000000 0.74674103443742 22.990 > 3 4 Na 0.50000000000000 0.00000000000000 0.75325896556258 22.990 > 4 *5 Cl 0.16252617733302 0.60576581540733 0.50000000000000 35.453 > 5 *6 Cl 0.50000000000000 0.50000000000000 0.71129247470743 35.453 > 6 7 Cl 0.00000000000000 0.00000000000000 0.78870752529257 35.453 > 7 8 Cl 0.50000000000000 0.50000000000000 0.28870752529257 35.453 > 8 9 Cl 0.00000000000000 0.00000000000000 0.21129247470743 35.453 > 9 10 Cl 0.83747382266698 0.39423418459267 0.50000000000000 35.453 > 10 11 Cl 0.33747382266698 0.10576581540733 0.00000000000000 35.453 > 11 *12 Cl 0.16972293545243 0.29264613389725 0.72507439348412 35.453 > 12 13 Cl 0.83027706454757 0.70735386610275 0.27492560651587 35.453 > 13 14 Cl 0.33027706454757 0.79264613389725 0.22507439348413 35.453 > 14 15 Cl 0.16972293545243 0.29264613389725 0.27492560651587 35.453 > 15 16 Cl 0.66972293545243 0.20735386610275 0.22507439348413 35.453 > 16 17 Cl 0.83027706454757 0.70735386610275 0.72507439348412 35.453 > 17 18 Cl 0.66972293545243 0.20735386610275 0.77492560651588 35.453 > 18 *19 Cl 0.68463358110509 0.92988943318310 0.50000000000000 35.453 > 19 20 Cl 0.33027706454757 0.79264613389725 0.77492560651588 35.453 > 20 21 Cl 0.81536641889491 0.42988943318310 0.00000000000000 35.453 > 21 22 Cl 0.31536641889491 0.07011056681690 0.50000000000000 35.453 > 22 23 Cl 0.18463358110509 0.57011056681690 0.00000000000000 35.453 > 23 24 Cl 0.66252617733302 0.89423418459267 0.00000000000000 35.453 > 24 *25 Sn 0.96731465441074 0.82745086007869 0.00000000000000 118.710 > 25 *26 Sn 0.03305464693928 0.17332293212476 0.50000000000000 118.710 > 26 27 Sn 0.53305464693928 0.32667706787524 0.00000000000000 118.710 > 27 28 Sn 0.96694535306072 0.82667706787524 0.50000000000000 118.710 > 28 29 Sn 0.46694535306072 0.67332293212476 0.00000000000000 118.710 > 29 30 Sn 0.53268534558926 0.32745086007869 0.50000000000000 118.710 > 30 31 Sn 0.03268534558926 0.17254913992131 0.00000000000000 118.710 > 31 32 Sn 0.46731465441074 0.67254913992131 0.50000000000000 118.710 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.138799280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.022959239999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.50000000000000 0.12662948278129 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.12662948278129 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.62662948278129 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.62662948278129 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.12337051721871 22.990 > 2 6 Na 0.75000000000000 0.00000000000000 0.12337051721871 22.990 > 2 7 Na 0.25000000000000 0.00000000000000 0.62337051721871 22.990 > 2 8 Na 0.75000000000000 0.00000000000000 0.62337051721871 22.990 > 2 9 Na 0.00000000000000 0.50000000000000 0.37337051721871 22.990 > 3 10 Na 0.50000000000000 0.50000000000000 0.37337051721871 22.990 > 3 11 Na 0.00000000000000 0.50000000000000 0.87337051721871 22.990 > 3 12 Na 0.50000000000000 0.50000000000000 0.87337051721871 22.990 > 3 13 Na 0.25000000000000 0.00000000000000 0.37662948278129 22.990 > 4 14 Na 0.75000000000000 0.00000000000000 0.37662948278129 22.990 > 4 15 Na 0.25000000000000 0.00000000000000 0.87662948278129 22.990 > 4 16 Na 0.75000000000000 0.00000000000000 0.87662948278129 22.990 > 4 *17 Cl 0.08126308866651 0.60576581540733 0.25000000000000 35.453 > 5 18 Cl 0.58126308866651 0.60576581540733 0.25000000000000 35.453 > 5 19 Cl 0.08126308866651 0.60576581540733 0.75000000000000 35.453 > 5 20 Cl 0.58126308866651 0.60576581540733 0.75000000000000 35.453 > 5 *21 Cl 0.25000000000000 0.50000000000000 0.35564623735372 35.453 > 6 22 Cl 0.75000000000000 0.50000000000000 0.35564623735372 35.453 > 6 23 Cl 0.25000000000000 0.50000000000000 0.85564623735372 35.453 > 6 24 Cl 0.75000000000000 0.50000000000000 0.85564623735372 35.453 > 6 25 Cl 0.00000000000000 0.00000000000000 0.39435376264628 35.453 > 7 26 Cl 0.50000000000000 0.00000000000000 0.39435376264628 35.453 > 7 27 Cl 0.00000000000000 0.00000000000000 0.89435376264628 35.453 > 7 28 Cl 0.50000000000000 0.00000000000000 0.89435376264628 35.453 > 7 29 Cl 0.25000000000000 0.50000000000000 0.14435376264628 35.453 > 8 30 Cl 0.75000000000000 0.50000000000000 0.14435376264628 35.453 > 8 31 Cl 0.25000000000000 0.50000000000000 0.64435376264628 35.453 > 8 32 Cl 0.75000000000000 0.50000000000000 0.64435376264628 35.453 > 8 33 Cl 0.00000000000000 0.00000000000000 0.10564623735372 35.453 > 9 34 Cl 0.50000000000000 0.00000000000000 0.10564623735372 35.453 > 9 35 Cl 0.00000000000000 0.00000000000000 0.60564623735372 35.453 > 9 36 Cl 0.50000000000000 0.00000000000000 0.60564623735372 35.453 > 9 37 Cl 0.41873691133349 0.39423418459267 0.25000000000000 35.453 > 10 38 Cl 0.91873691133349 0.39423418459267 0.25000000000000 35.453 > 10 39 Cl 0.41873691133349 0.39423418459267 0.75000000000000 35.453 > 10 40 Cl 0.91873691133349 0.39423418459267 0.75000000000000 35.453 > 10 41 Cl 0.16873691133349 0.10576581540733 0.00000000000000 35.453 > 11 42 Cl 0.66873691133349 0.10576581540733 0.00000000000000 35.453 > 11 43 Cl 0.16873691133349 0.10576581540733 0.50000000000000 35.453 > 11 44 Cl 0.66873691133349 0.10576581540733 0.50000000000000 35.453 > 11 *45 Cl 0.08486146772622 0.29264613389725 0.36253719674206 35.453 > 12 46 Cl 0.58486146772621 0.29264613389725 0.36253719674206 35.453 > 12 47 Cl 0.08486146772622 0.29264613389725 0.86253719674206 35.453 > 12 48 Cl 0.58486146772621 0.29264613389725 0.86253719674206 35.453 > 12 49 Cl 0.41513853227378 0.70735386610275 0.13746280325794 35.453 > 13 50 Cl 0.91513853227379 0.70735386610275 0.13746280325794 35.453 > 13 51 Cl 0.41513853227378 0.70735386610275 0.63746280325794 35.453 > 13 52 Cl 0.91513853227379 0.70735386610275 0.63746280325794 35.453 > 13 53 Cl 0.16513853227378 0.79264613389725 0.11253719674206 35.453 > 14 54 Cl 0.66513853227379 0.79264613389725 0.11253719674206 35.453 > 14 55 Cl 0.16513853227378 0.79264613389725 0.61253719674206 35.453 > 14 56 Cl 0.66513853227379 0.79264613389725 0.61253719674206 35.453 > 14 57 Cl 0.08486146772622 0.29264613389725 0.13746280325794 35.453 > 15 58 Cl 0.58486146772621 0.29264613389725 0.13746280325794 35.453 > 15 59 Cl 0.08486146772622 0.29264613389725 0.63746280325794 35.453 > 15 60 Cl 0.58486146772621 0.29264613389725 0.63746280325794 35.453 > 15 61 Cl 0.33486146772622 0.20735386610275 0.11253719674206 35.453 > 16 62 Cl 0.83486146772621 0.20735386610275 0.11253719674206 35.453 > 16 63 Cl 0.33486146772622 0.20735386610275 0.61253719674206 35.453 > 16 64 Cl 0.83486146772621 0.20735386610275 0.61253719674206 35.453 > 16 65 Cl 0.41513853227378 0.70735386610275 0.36253719674206 35.453 > 17 66 Cl 0.91513853227379 0.70735386610275 0.36253719674206 35.453 > 17 67 Cl 0.41513853227378 0.70735386610275 0.86253719674206 35.453 > 17 68 Cl 0.91513853227379 0.70735386610275 0.86253719674206 35.453 > 17 69 Cl 0.33486146772622 0.20735386610275 0.38746280325794 35.453 > 18 70 Cl 0.83486146772621 0.20735386610275 0.38746280325794 35.453 > 18 71 Cl 0.33486146772622 0.20735386610275 0.88746280325794 35.453 > 18 72 Cl 0.83486146772621 0.20735386610275 0.88746280325794 35.453 > 18 *73 Cl 0.34231679055254 0.92988943318310 0.25000000000000 35.453 > 19 74 Cl 0.84231679055254 0.92988943318310 0.25000000000000 35.453 > 19 75 Cl 0.34231679055254 0.92988943318310 0.75000000000000 35.453 > 19 76 Cl 0.84231679055254 0.92988943318310 0.75000000000000 35.453 > 19 77 Cl 0.16513853227378 0.79264613389725 0.38746280325794 35.453 > 20 78 Cl 0.66513853227379 0.79264613389725 0.38746280325794 35.453 > 20 79 Cl 0.16513853227378 0.79264613389725 0.88746280325794 35.453 > 20 80 Cl 0.66513853227379 0.79264613389725 0.88746280325794 35.453 > 20 81 Cl 0.40768320944746 0.42988943318310 0.00000000000000 35.453 > 21 82 Cl 0.90768320944746 0.42988943318310 0.00000000000000 35.453 > 21 83 Cl 0.40768320944746 0.42988943318310 0.50000000000000 35.453 > 21 84 Cl 0.90768320944746 0.42988943318310 0.50000000000000 35.453 > 21 85 Cl 0.15768320944746 0.07011056681690 0.25000000000000 35.453 > 22 86 Cl 0.65768320944746 0.07011056681690 0.25000000000000 35.453 > 22 87 Cl 0.15768320944746 0.07011056681690 0.75000000000000 35.453 > 22 88 Cl 0.65768320944746 0.07011056681690 0.75000000000000 35.453 > 22 89 Cl 0.09231679055254 0.57011056681690 0.00000000000000 35.453 > 23 90 Cl 0.59231679055254 0.57011056681690 0.00000000000000 35.453 > 23 91 Cl 0.09231679055254 0.57011056681690 0.50000000000000 35.453 > 23 92 Cl 0.59231679055254 0.57011056681690 0.50000000000000 35.453 > 23 93 Cl 0.33126308866651 0.89423418459267 0.00000000000000 35.453 > 24 94 Cl 0.83126308866651 0.89423418459267 0.00000000000000 35.453 > 24 95 Cl 0.33126308866651 0.89423418459267 0.50000000000000 35.453 > 24 96 Cl 0.83126308866651 0.89423418459267 0.50000000000000 35.453 > 24 *97 Sn 0.48365732720537 0.82745086007869 0.00000000000000 118.710 > 25 98 Sn 0.98365732720537 0.82745086007869 0.00000000000000 118.710 > 25 99 Sn 0.48365732720537 0.82745086007869 0.50000000000000 118.710 > 25 100 Sn 0.98365732720537 0.82745086007869 0.50000000000000 118.710 > 25 *101 Sn 0.01652732346964 0.17332293212476 0.25000000000000 118.710 > 26 102 Sn 0.51652732346964 0.17332293212476 0.25000000000000 118.710 > 26 103 Sn 0.01652732346964 0.17332293212476 0.75000000000000 118.710 > 26 104 Sn 0.51652732346964 0.17332293212476 0.75000000000000 118.710 > 26 105 Sn 0.26652732346964 0.32667706787524 0.00000000000000 118.710 > 27 106 Sn 0.76652732346964 0.32667706787524 0.00000000000000 118.710 > 27 107 Sn 0.26652732346964 0.32667706787524 0.50000000000000 118.710 > 27 108 Sn 0.76652732346964 0.32667706787524 0.50000000000000 118.710 > 27 109 Sn 0.48347267653036 0.82667706787524 0.25000000000000 118.710 > 28 110 Sn 0.98347267653036 0.82667706787524 0.25000000000000 118.710 > 28 111 Sn 0.48347267653036 0.82667706787524 0.75000000000000 118.710 > 28 112 Sn 0.98347267653036 0.82667706787524 0.75000000000000 118.710 > 28 113 Sn 0.23347267653036 0.67332293212476 0.00000000000000 118.710 > 29 114 Sn 0.73347267653036 0.67332293212476 0.00000000000000 118.710 > 29 115 Sn 0.23347267653036 0.67332293212476 0.50000000000000 118.710 > 29 116 Sn 0.73347267653036 0.67332293212476 0.50000000000000 118.710 > 29 117 Sn 0.26634267279463 0.32745086007869 0.25000000000000 118.710 > 30 118 Sn 0.76634267279463 0.32745086007869 0.25000000000000 118.710 > 30 119 Sn 0.26634267279463 0.32745086007869 0.75000000000000 118.710 > 30 120 Sn 0.76634267279463 0.32745086007869 0.75000000000000 118.710 > 30 121 Sn 0.01634267279463 0.17254913992131 0.00000000000000 118.710 > 31 122 Sn 0.51634267279463 0.17254913992131 0.00000000000000 118.710 > 31 123 Sn 0.01634267279463 0.17254913992131 0.50000000000000 118.710 > 31 124 Sn 0.51634267279463 0.17254913992131 0.50000000000000 118.710 > 31 125 Sn 0.23365732720537 0.67254913992131 0.25000000000000 118.710 > 32 126 Sn 0.73365732720537 0.67254913992131 0.25000000000000 118.710 > 32 127 Sn 0.23365732720537 0.67254913992131 0.75000000000000 118.710 > 32 128 Sn 0.73365732720537 0.67254913992131 0.75000000000000 118.710 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2539913 0.0000000 0.0000000 0.0000000 4.3721623 0.0000000 0.0000000 0.0000000 4.7919138 -------------------------- Born effective charges -------------------------- 1 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 2 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 3 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 4 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 5 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 6 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 7 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 8 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 9 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 10 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 11 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 12 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 13 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 14 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 15 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 16 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 17 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 18 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 19 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 20 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 21 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 22 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 23 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 24 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 25 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 26 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 27 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 28 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 29 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 30 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 31 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 32 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 ---------------------------------------------------------------------------- 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: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 578 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2425), data: False |-- (336, 329), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (432, 430), data: True |-- (432, 430), data: True |-- (592, 578), data: False |-- (592, 578), data: False |-- (592, 22), data: (592, 36) @ (36, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.830 Solver_block: 200 / 480 - Time: 0.730 Solver_block: 300 / 480 - Time: 0.718 Solver_block: 400 / 480 - Time: 0.721 Solver_block: 480 / 480 - Time: 0.594 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2464 Number of blocks in projector: 2464 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: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 578 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2464, 2425), data: False |-- (336, 329), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (432, 430), data: True |-- (432, 430), data: True |-- (592, 578), data: False |-- (592, 578), data: False |-- (592, 22), data: (592, 36) @ (36, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:42:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:42:01]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.069399640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.511479619999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.25325896556258 22.990 2 Na 0.50000000000000 0.00000000000000 0.24674103443742 22.990 3 Na 0.00000000000000 0.50000000000000 0.74674103443742 22.990 4 Na 0.50000000000000 0.00000000000000 0.75325896556258 22.990 5 Cl 0.16252617733302 0.60576581540733 0.50000000000000 35.453 6 Cl 0.50000000000000 0.50000000000000 0.71129247470743 35.453 7 Cl 0.00000000000000 0.00000000000000 0.78870752529257 35.453 8 Cl 0.50000000000000 0.50000000000000 0.28870752529257 35.453 9 Cl 0.00000000000000 0.00000000000000 0.21129247470743 35.453 10 Cl 0.83747382266698 0.39423418459267 0.50000000000000 35.453 11 Cl 0.33747382266698 0.10576581540733 0.00000000000000 35.453 12 Cl 0.16972293545243 0.29264613389725 0.72507439348412 35.453 13 Cl 0.83027706454757 0.70735386610275 0.27492560651587 35.453 14 Cl 0.33027706454757 0.79264613389725 0.22507439348413 35.453 15 Cl 0.16972293545243 0.29264613389725 0.27492560651587 35.453 16 Cl 0.66972293545243 0.20735386610275 0.22507439348413 35.453 17 Cl 0.83027706454757 0.70735386610275 0.72507439348412 35.453 18 Cl 0.66972293545243 0.20735386610275 0.77492560651588 35.453 19 Cl 0.68463358110509 0.92988943318310 0.50000000000000 35.453 20 Cl 0.33027706454757 0.79264613389725 0.77492560651588 35.453 21 Cl 0.81536641889491 0.42988943318310 0.00000000000000 35.453 22 Cl 0.31536641889491 0.07011056681690 0.50000000000000 35.453 23 Cl 0.18463358110509 0.57011056681690 0.00000000000000 35.453 24 Cl 0.66252617733302 0.89423418459267 0.00000000000000 35.453 25 Sn 0.96731465441074 0.82745086007869 0.00000000000000 118.710 26 Sn 0.03305464693928 0.17332293212476 0.50000000000000 118.710 27 Sn 0.53305464693928 0.32667706787524 0.00000000000000 118.710 28 Sn 0.96694535306072 0.82667706787524 0.50000000000000 118.710 29 Sn 0.46694535306072 0.67332293212476 0.00000000000000 118.710 30 Sn 0.53268534558926 0.32745086007869 0.50000000000000 118.710 31 Sn 0.03268534558926 0.17254913992131 0.00000000000000 118.710 32 Sn 0.46731465441074 0.67254913992131 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.138799280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.022959239999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.12662948278129 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.12662948278129 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.62662948278129 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.62662948278129 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.12337051721871 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.12337051721871 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.62337051721871 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.62337051721871 22.990 > 5 9 Na 0.00000000000000 0.50000000000000 0.37337051721871 22.990 > 9 10 Na 0.50000000000000 0.50000000000000 0.37337051721871 22.990 > 9 11 Na 0.00000000000000 0.50000000000000 0.87337051721871 22.990 > 9 12 Na 0.50000000000000 0.50000000000000 0.87337051721871 22.990 > 9 13 Na 0.25000000000000 0.00000000000000 0.37662948278129 22.990 > 13 14 Na 0.75000000000000 0.00000000000000 0.37662948278129 22.990 > 13 15 Na 0.25000000000000 0.00000000000000 0.87662948278129 22.990 > 13 16 Na 0.75000000000000 0.00000000000000 0.87662948278129 22.990 > 13 17 Cl 0.08126308866651 0.60576581540733 0.25000000000000 35.453 > 17 18 Cl 0.58126308866651 0.60576581540733 0.25000000000000 35.453 > 17 19 Cl 0.08126308866651 0.60576581540733 0.75000000000000 35.453 > 17 20 Cl 0.58126308866651 0.60576581540733 0.75000000000000 35.453 > 17 21 Cl 0.25000000000000 0.50000000000000 0.35564623735372 35.453 > 21 22 Cl 0.75000000000000 0.50000000000000 0.35564623735372 35.453 > 21 23 Cl 0.25000000000000 0.50000000000000 0.85564623735372 35.453 > 21 24 Cl 0.75000000000000 0.50000000000000 0.85564623735372 35.453 > 21 25 Cl 0.00000000000000 0.00000000000000 0.39435376264628 35.453 > 25 26 Cl 0.50000000000000 0.00000000000000 0.39435376264628 35.453 > 25 27 Cl 0.00000000000000 0.00000000000000 0.89435376264628 35.453 > 25 28 Cl 0.50000000000000 0.00000000000000 0.89435376264628 35.453 > 25 29 Cl 0.25000000000000 0.50000000000000 0.14435376264628 35.453 > 29 30 Cl 0.75000000000000 0.50000000000000 0.14435376264628 35.453 > 29 31 Cl 0.25000000000000 0.50000000000000 0.64435376264628 35.453 > 29 32 Cl 0.75000000000000 0.50000000000000 0.64435376264628 35.453 > 29 33 Cl 0.00000000000000 0.00000000000000 0.10564623735372 35.453 > 33 34 Cl 0.50000000000000 0.00000000000000 0.10564623735372 35.453 > 33 35 Cl 0.00000000000000 0.00000000000000 0.60564623735372 35.453 > 33 36 Cl 0.50000000000000 0.00000000000000 0.60564623735372 35.453 > 33 37 Cl 0.41873691133349 0.39423418459267 0.25000000000000 35.453 > 37 38 Cl 0.91873691133349 0.39423418459267 0.25000000000000 35.453 > 37 39 Cl 0.41873691133349 0.39423418459267 0.75000000000000 35.453 > 37 40 Cl 0.91873691133349 0.39423418459267 0.75000000000000 35.453 > 37 41 Cl 0.16873691133349 0.10576581540733 0.00000000000000 35.453 > 41 42 Cl 0.66873691133349 0.10576581540733 0.00000000000000 35.453 > 41 43 Cl 0.16873691133349 0.10576581540733 0.50000000000000 35.453 > 41 44 Cl 0.66873691133349 0.10576581540733 0.50000000000000 35.453 > 41 45 Cl 0.08486146772622 0.29264613389725 0.36253719674206 35.453 > 45 46 Cl 0.58486146772621 0.29264613389725 0.36253719674206 35.453 > 45 47 Cl 0.08486146772622 0.29264613389725 0.86253719674206 35.453 > 45 48 Cl 0.58486146772621 0.29264613389725 0.86253719674206 35.453 > 45 49 Cl 0.41513853227378 0.70735386610275 0.13746280325794 35.453 > 49 50 Cl 0.91513853227379 0.70735386610275 0.13746280325794 35.453 > 49 51 Cl 0.41513853227378 0.70735386610275 0.63746280325794 35.453 > 49 52 Cl 0.91513853227379 0.70735386610275 0.63746280325794 35.453 > 49 53 Cl 0.16513853227378 0.79264613389725 0.11253719674206 35.453 > 53 54 Cl 0.66513853227379 0.79264613389725 0.11253719674206 35.453 > 53 55 Cl 0.16513853227378 0.79264613389725 0.61253719674206 35.453 > 53 56 Cl 0.66513853227379 0.79264613389725 0.61253719674206 35.453 > 53 57 Cl 0.08486146772622 0.29264613389725 0.13746280325794 35.453 > 57 58 Cl 0.58486146772621 0.29264613389725 0.13746280325794 35.453 > 57 59 Cl 0.08486146772622 0.29264613389725 0.63746280325794 35.453 > 57 60 Cl 0.58486146772621 0.29264613389725 0.63746280325794 35.453 > 57 61 Cl 0.33486146772622 0.20735386610275 0.11253719674206 35.453 > 61 62 Cl 0.83486146772621 0.20735386610275 0.11253719674206 35.453 > 61 63 Cl 0.33486146772622 0.20735386610275 0.61253719674206 35.453 > 61 64 Cl 0.83486146772621 0.20735386610275 0.61253719674206 35.453 > 61 65 Cl 0.41513853227378 0.70735386610275 0.36253719674206 35.453 > 65 66 Cl 0.91513853227379 0.70735386610275 0.36253719674206 35.453 > 65 67 Cl 0.41513853227378 0.70735386610275 0.86253719674206 35.453 > 65 68 Cl 0.91513853227379 0.70735386610275 0.86253719674206 35.453 > 65 69 Cl 0.33486146772622 0.20735386610275 0.38746280325794 35.453 > 69 70 Cl 0.83486146772621 0.20735386610275 0.38746280325794 35.453 > 69 71 Cl 0.33486146772622 0.20735386610275 0.88746280325794 35.453 > 69 72 Cl 0.83486146772621 0.20735386610275 0.88746280325794 35.453 > 69 73 Cl 0.34231679055254 0.92988943318310 0.25000000000000 35.453 > 73 74 Cl 0.84231679055254 0.92988943318310 0.25000000000000 35.453 > 73 75 Cl 0.34231679055254 0.92988943318310 0.75000000000000 35.453 > 73 76 Cl 0.84231679055254 0.92988943318310 0.75000000000000 35.453 > 73 77 Cl 0.16513853227378 0.79264613389725 0.38746280325794 35.453 > 77 78 Cl 0.66513853227379 0.79264613389725 0.38746280325794 35.453 > 77 79 Cl 0.16513853227378 0.79264613389725 0.88746280325794 35.453 > 77 80 Cl 0.66513853227379 0.79264613389725 0.88746280325794 35.453 > 77 81 Cl 0.40768320944746 0.42988943318310 0.00000000000000 35.453 > 81 82 Cl 0.90768320944746 0.42988943318310 0.00000000000000 35.453 > 81 83 Cl 0.40768320944746 0.42988943318310 0.50000000000000 35.453 > 81 84 Cl 0.90768320944746 0.42988943318310 0.50000000000000 35.453 > 81 85 Cl 0.15768320944746 0.07011056681690 0.25000000000000 35.453 > 85 86 Cl 0.65768320944746 0.07011056681690 0.25000000000000 35.453 > 85 87 Cl 0.15768320944746 0.07011056681690 0.75000000000000 35.453 > 85 88 Cl 0.65768320944746 0.07011056681690 0.75000000000000 35.453 > 85 89 Cl 0.09231679055254 0.57011056681690 0.00000000000000 35.453 > 89 90 Cl 0.59231679055254 0.57011056681690 0.00000000000000 35.453 > 89 91 Cl 0.09231679055254 0.57011056681690 0.50000000000000 35.453 > 89 92 Cl 0.59231679055254 0.57011056681690 0.50000000000000 35.453 > 89 93 Cl 0.33126308866651 0.89423418459267 0.00000000000000 35.453 > 93 94 Cl 0.83126308866651 0.89423418459267 0.00000000000000 35.453 > 93 95 Cl 0.33126308866651 0.89423418459267 0.50000000000000 35.453 > 93 96 Cl 0.83126308866651 0.89423418459267 0.50000000000000 35.453 > 93 97 Sn 0.48365732720537 0.82745086007869 0.00000000000000 118.710 > 97 98 Sn 0.98365732720537 0.82745086007869 0.00000000000000 118.710 > 97 99 Sn 0.48365732720537 0.82745086007869 0.50000000000000 118.710 > 97 100 Sn 0.98365732720537 0.82745086007869 0.50000000000000 118.710 > 97 101 Sn 0.01652732346964 0.17332293212476 0.25000000000000 118.710 > 101 102 Sn 0.51652732346964 0.17332293212476 0.25000000000000 118.710 > 101 103 Sn 0.01652732346964 0.17332293212476 0.75000000000000 118.710 > 101 104 Sn 0.51652732346964 0.17332293212476 0.75000000000000 118.710 > 101 105 Sn 0.26652732346964 0.32667706787524 0.00000000000000 118.710 > 105 106 Sn 0.76652732346964 0.32667706787524 0.00000000000000 118.710 > 105 107 Sn 0.26652732346964 0.32667706787524 0.50000000000000 118.710 > 105 108 Sn 0.76652732346964 0.32667706787524 0.50000000000000 118.710 > 105 109 Sn 0.48347267653036 0.82667706787524 0.25000000000000 118.710 > 109 110 Sn 0.98347267653036 0.82667706787524 0.25000000000000 118.710 > 109 111 Sn 0.48347267653036 0.82667706787524 0.75000000000000 118.710 > 109 112 Sn 0.98347267653036 0.82667706787524 0.75000000000000 118.710 > 109 113 Sn 0.23347267653036 0.67332293212476 0.00000000000000 118.710 > 113 114 Sn 0.73347267653036 0.67332293212476 0.00000000000000 118.710 > 113 115 Sn 0.23347267653036 0.67332293212476 0.50000000000000 118.710 > 113 116 Sn 0.73347267653036 0.67332293212476 0.50000000000000 118.710 > 113 117 Sn 0.26634267279463 0.32745086007869 0.25000000000000 118.710 > 117 118 Sn 0.76634267279463 0.32745086007869 0.25000000000000 118.710 > 117 119 Sn 0.26634267279463 0.32745086007869 0.75000000000000 118.710 > 117 120 Sn 0.76634267279463 0.32745086007869 0.75000000000000 118.710 > 117 121 Sn 0.01634267279463 0.17254913992131 0.00000000000000 118.710 > 121 122 Sn 0.51634267279463 0.17254913992131 0.00000000000000 118.710 > 121 123 Sn 0.01634267279463 0.17254913992131 0.50000000000000 118.710 > 121 124 Sn 0.51634267279463 0.17254913992131 0.50000000000000 118.710 > 121 125 Sn 0.23365732720537 0.67254913992131 0.25000000000000 118.710 > 125 126 Sn 0.73365732720537 0.67254913992131 0.25000000000000 118.710 > 125 127 Sn 0.23365732720537 0.67254913992131 0.75000000000000 118.710 > 125 128 Sn 0.73365732720537 0.67254913992131 0.75000000000000 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2539913 0.0000000 0.0000000 0.0000000 4.3721623 0.0000000 0.0000000 0.0000000 4.7919138 -------------------------- Born effective charges -------------------------- 1 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 2 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 3 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 4 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 5 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 6 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 7 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 8 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 9 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 10 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 11 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 12 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 13 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 14 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 15 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 16 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 17 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 18 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 19 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 20 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 21 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 22 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 23 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 24 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 25 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 26 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 27 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 28 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 29 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 30 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 31 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 32 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 07:42:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:42:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.069399640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.511479619999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.25325896556258 22.990 2 Na 0.50000000000000 0.00000000000000 0.24674103443742 22.990 3 Na 0.00000000000000 0.50000000000000 0.74674103443742 22.990 4 Na 0.50000000000000 0.00000000000000 0.75325896556258 22.990 5 Cl 0.16252617733302 0.60576581540733 0.50000000000000 35.453 6 Cl 0.50000000000000 0.50000000000000 0.71129247470743 35.453 7 Cl 0.00000000000000 0.00000000000000 0.78870752529257 35.453 8 Cl 0.50000000000000 0.50000000000000 0.28870752529257 35.453 9 Cl 0.00000000000000 0.00000000000000 0.21129247470743 35.453 10 Cl 0.83747382266698 0.39423418459267 0.50000000000000 35.453 11 Cl 0.33747382266698 0.10576581540733 0.00000000000000 35.453 12 Cl 0.16972293545243 0.29264613389725 0.72507439348412 35.453 13 Cl 0.83027706454757 0.70735386610275 0.27492560651587 35.453 14 Cl 0.33027706454757 0.79264613389725 0.22507439348413 35.453 15 Cl 0.16972293545243 0.29264613389725 0.27492560651587 35.453 16 Cl 0.66972293545243 0.20735386610275 0.22507439348413 35.453 17 Cl 0.83027706454757 0.70735386610275 0.72507439348412 35.453 18 Cl 0.66972293545243 0.20735386610275 0.77492560651588 35.453 19 Cl 0.68463358110509 0.92988943318310 0.50000000000000 35.453 20 Cl 0.33027706454757 0.79264613389725 0.77492560651588 35.453 21 Cl 0.81536641889491 0.42988943318310 0.00000000000000 35.453 22 Cl 0.31536641889491 0.07011056681690 0.50000000000000 35.453 23 Cl 0.18463358110509 0.57011056681690 0.00000000000000 35.453 24 Cl 0.66252617733302 0.89423418459267 0.00000000000000 35.453 25 Sn 0.96731465441074 0.82745086007869 0.00000000000000 118.710 26 Sn 0.03305464693928 0.17332293212476 0.50000000000000 118.710 27 Sn 0.53305464693928 0.32667706787524 0.00000000000000 118.710 28 Sn 0.96694535306072 0.82667706787524 0.50000000000000 118.710 29 Sn 0.46694535306072 0.67332293212476 0.00000000000000 118.710 30 Sn 0.53268534558926 0.32745086007869 0.50000000000000 118.710 31 Sn 0.03268534558926 0.17254913992131 0.00000000000000 118.710 32 Sn 0.46731465441074 0.67254913992131 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.138799280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.903652100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.022959239999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.50000000000000 0.12662948278129 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.12662948278129 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.62662948278129 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.62662948278129 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.12337051721871 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.12337051721871 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.62337051721871 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.62337051721871 22.990 > 5 9 Na 0.00000000000000 0.50000000000000 0.37337051721871 22.990 > 9 10 Na 0.50000000000000 0.50000000000000 0.37337051721871 22.990 > 9 11 Na 0.00000000000000 0.50000000000000 0.87337051721871 22.990 > 9 12 Na 0.50000000000000 0.50000000000000 0.87337051721871 22.990 > 9 13 Na 0.25000000000000 0.00000000000000 0.37662948278129 22.990 > 13 14 Na 0.75000000000000 0.00000000000000 0.37662948278129 22.990 > 13 15 Na 0.25000000000000 0.00000000000000 0.87662948278129 22.990 > 13 16 Na 0.75000000000000 0.00000000000000 0.87662948278129 22.990 > 13 17 Cl 0.08126308866651 0.60576581540733 0.25000000000000 35.453 > 17 18 Cl 0.58126308866651 0.60576581540733 0.25000000000000 35.453 > 17 19 Cl 0.08126308866651 0.60576581540733 0.75000000000000 35.453 > 17 20 Cl 0.58126308866651 0.60576581540733 0.75000000000000 35.453 > 17 21 Cl 0.25000000000000 0.50000000000000 0.35564623735372 35.453 > 21 22 Cl 0.75000000000000 0.50000000000000 0.35564623735372 35.453 > 21 23 Cl 0.25000000000000 0.50000000000000 0.85564623735372 35.453 > 21 24 Cl 0.75000000000000 0.50000000000000 0.85564623735372 35.453 > 21 25 Cl 0.00000000000000 0.00000000000000 0.39435376264628 35.453 > 25 26 Cl 0.50000000000000 0.00000000000000 0.39435376264628 35.453 > 25 27 Cl 0.00000000000000 0.00000000000000 0.89435376264628 35.453 > 25 28 Cl 0.50000000000000 0.00000000000000 0.89435376264628 35.453 > 25 29 Cl 0.25000000000000 0.50000000000000 0.14435376264628 35.453 > 29 30 Cl 0.75000000000000 0.50000000000000 0.14435376264628 35.453 > 29 31 Cl 0.25000000000000 0.50000000000000 0.64435376264628 35.453 > 29 32 Cl 0.75000000000000 0.50000000000000 0.64435376264628 35.453 > 29 33 Cl 0.00000000000000 0.00000000000000 0.10564623735372 35.453 > 33 34 Cl 0.50000000000000 0.00000000000000 0.10564623735372 35.453 > 33 35 Cl 0.00000000000000 0.00000000000000 0.60564623735372 35.453 > 33 36 Cl 0.50000000000000 0.00000000000000 0.60564623735372 35.453 > 33 37 Cl 0.41873691133349 0.39423418459267 0.25000000000000 35.453 > 37 38 Cl 0.91873691133349 0.39423418459267 0.25000000000000 35.453 > 37 39 Cl 0.41873691133349 0.39423418459267 0.75000000000000 35.453 > 37 40 Cl 0.91873691133349 0.39423418459267 0.75000000000000 35.453 > 37 41 Cl 0.16873691133349 0.10576581540733 0.00000000000000 35.453 > 41 42 Cl 0.66873691133349 0.10576581540733 0.00000000000000 35.453 > 41 43 Cl 0.16873691133349 0.10576581540733 0.50000000000000 35.453 > 41 44 Cl 0.66873691133349 0.10576581540733 0.50000000000000 35.453 > 41 45 Cl 0.08486146772622 0.29264613389725 0.36253719674206 35.453 > 45 46 Cl 0.58486146772621 0.29264613389725 0.36253719674206 35.453 > 45 47 Cl 0.08486146772622 0.29264613389725 0.86253719674206 35.453 > 45 48 Cl 0.58486146772621 0.29264613389725 0.86253719674206 35.453 > 45 49 Cl 0.41513853227378 0.70735386610275 0.13746280325794 35.453 > 49 50 Cl 0.91513853227379 0.70735386610275 0.13746280325794 35.453 > 49 51 Cl 0.41513853227378 0.70735386610275 0.63746280325794 35.453 > 49 52 Cl 0.91513853227379 0.70735386610275 0.63746280325794 35.453 > 49 53 Cl 0.16513853227378 0.79264613389725 0.11253719674206 35.453 > 53 54 Cl 0.66513853227379 0.79264613389725 0.11253719674206 35.453 > 53 55 Cl 0.16513853227378 0.79264613389725 0.61253719674206 35.453 > 53 56 Cl 0.66513853227379 0.79264613389725 0.61253719674206 35.453 > 53 57 Cl 0.08486146772622 0.29264613389725 0.13746280325794 35.453 > 57 58 Cl 0.58486146772621 0.29264613389725 0.13746280325794 35.453 > 57 59 Cl 0.08486146772622 0.29264613389725 0.63746280325794 35.453 > 57 60 Cl 0.58486146772621 0.29264613389725 0.63746280325794 35.453 > 57 61 Cl 0.33486146772622 0.20735386610275 0.11253719674206 35.453 > 61 62 Cl 0.83486146772621 0.20735386610275 0.11253719674206 35.453 > 61 63 Cl 0.33486146772622 0.20735386610275 0.61253719674206 35.453 > 61 64 Cl 0.83486146772621 0.20735386610275 0.61253719674206 35.453 > 61 65 Cl 0.41513853227378 0.70735386610275 0.36253719674206 35.453 > 65 66 Cl 0.91513853227379 0.70735386610275 0.36253719674206 35.453 > 65 67 Cl 0.41513853227378 0.70735386610275 0.86253719674206 35.453 > 65 68 Cl 0.91513853227379 0.70735386610275 0.86253719674206 35.453 > 65 69 Cl 0.33486146772622 0.20735386610275 0.38746280325794 35.453 > 69 70 Cl 0.83486146772621 0.20735386610275 0.38746280325794 35.453 > 69 71 Cl 0.33486146772622 0.20735386610275 0.88746280325794 35.453 > 69 72 Cl 0.83486146772621 0.20735386610275 0.88746280325794 35.453 > 69 73 Cl 0.34231679055254 0.92988943318310 0.25000000000000 35.453 > 73 74 Cl 0.84231679055254 0.92988943318310 0.25000000000000 35.453 > 73 75 Cl 0.34231679055254 0.92988943318310 0.75000000000000 35.453 > 73 76 Cl 0.84231679055254 0.92988943318310 0.75000000000000 35.453 > 73 77 Cl 0.16513853227378 0.79264613389725 0.38746280325794 35.453 > 77 78 Cl 0.66513853227379 0.79264613389725 0.38746280325794 35.453 > 77 79 Cl 0.16513853227378 0.79264613389725 0.88746280325794 35.453 > 77 80 Cl 0.66513853227379 0.79264613389725 0.88746280325794 35.453 > 77 81 Cl 0.40768320944746 0.42988943318310 0.00000000000000 35.453 > 81 82 Cl 0.90768320944746 0.42988943318310 0.00000000000000 35.453 > 81 83 Cl 0.40768320944746 0.42988943318310 0.50000000000000 35.453 > 81 84 Cl 0.90768320944746 0.42988943318310 0.50000000000000 35.453 > 81 85 Cl 0.15768320944746 0.07011056681690 0.25000000000000 35.453 > 85 86 Cl 0.65768320944746 0.07011056681690 0.25000000000000 35.453 > 85 87 Cl 0.15768320944746 0.07011056681690 0.75000000000000 35.453 > 85 88 Cl 0.65768320944746 0.07011056681690 0.75000000000000 35.453 > 85 89 Cl 0.09231679055254 0.57011056681690 0.00000000000000 35.453 > 89 90 Cl 0.59231679055254 0.57011056681690 0.00000000000000 35.453 > 89 91 Cl 0.09231679055254 0.57011056681690 0.50000000000000 35.453 > 89 92 Cl 0.59231679055254 0.57011056681690 0.50000000000000 35.453 > 89 93 Cl 0.33126308866651 0.89423418459267 0.00000000000000 35.453 > 93 94 Cl 0.83126308866651 0.89423418459267 0.00000000000000 35.453 > 93 95 Cl 0.33126308866651 0.89423418459267 0.50000000000000 35.453 > 93 96 Cl 0.83126308866651 0.89423418459267 0.50000000000000 35.453 > 93 97 Sn 0.48365732720537 0.82745086007869 0.00000000000000 118.710 > 97 98 Sn 0.98365732720537 0.82745086007869 0.00000000000000 118.710 > 97 99 Sn 0.48365732720537 0.82745086007869 0.50000000000000 118.710 > 97 100 Sn 0.98365732720537 0.82745086007869 0.50000000000000 118.710 > 97 101 Sn 0.01652732346964 0.17332293212476 0.25000000000000 118.710 > 101 102 Sn 0.51652732346964 0.17332293212476 0.25000000000000 118.710 > 101 103 Sn 0.01652732346964 0.17332293212476 0.75000000000000 118.710 > 101 104 Sn 0.51652732346964 0.17332293212476 0.75000000000000 118.710 > 101 105 Sn 0.26652732346964 0.32667706787524 0.00000000000000 118.710 > 105 106 Sn 0.76652732346964 0.32667706787524 0.00000000000000 118.710 > 105 107 Sn 0.26652732346964 0.32667706787524 0.50000000000000 118.710 > 105 108 Sn 0.76652732346964 0.32667706787524 0.50000000000000 118.710 > 105 109 Sn 0.48347267653036 0.82667706787524 0.25000000000000 118.710 > 109 110 Sn 0.98347267653036 0.82667706787524 0.25000000000000 118.710 > 109 111 Sn 0.48347267653036 0.82667706787524 0.75000000000000 118.710 > 109 112 Sn 0.98347267653036 0.82667706787524 0.75000000000000 118.710 > 109 113 Sn 0.23347267653036 0.67332293212476 0.00000000000000 118.710 > 113 114 Sn 0.73347267653036 0.67332293212476 0.00000000000000 118.710 > 113 115 Sn 0.23347267653036 0.67332293212476 0.50000000000000 118.710 > 113 116 Sn 0.73347267653036 0.67332293212476 0.50000000000000 118.710 > 113 117 Sn 0.26634267279463 0.32745086007869 0.25000000000000 118.710 > 117 118 Sn 0.76634267279463 0.32745086007869 0.25000000000000 118.710 > 117 119 Sn 0.26634267279463 0.32745086007869 0.75000000000000 118.710 > 117 120 Sn 0.76634267279463 0.32745086007869 0.75000000000000 118.710 > 117 121 Sn 0.01634267279463 0.17254913992131 0.00000000000000 118.710 > 121 122 Sn 0.51634267279463 0.17254913992131 0.00000000000000 118.710 > 121 123 Sn 0.01634267279463 0.17254913992131 0.50000000000000 118.710 > 121 124 Sn 0.51634267279463 0.17254913992131 0.50000000000000 118.710 > 121 125 Sn 0.23365732720537 0.67254913992131 0.25000000000000 118.710 > 125 126 Sn 0.73365732720537 0.67254913992131 0.25000000000000 118.710 > 125 127 Sn 0.23365732720537 0.67254913992131 0.75000000000000 118.710 > 125 128 Sn 0.73365732720537 0.67254913992131 0.75000000000000 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2539913 0.0000000 0.0000000 0.0000000 4.3721623 0.0000000 0.0000000 0.0000000 4.7919138 -------------------------- Born effective charges -------------------------- 1 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 2 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 3 Na 1.1985471 0.1974144 0.0000000 0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 4 Na 1.1985471 -0.1974144 0.0000000 -0.0221958 1.4135126 0.0000000 0.0000000 0.0000000 1.1109946 5 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 6 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 7 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 8 Cl -0.5135940 0.4696588 0.0000000 0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 9 Cl -0.5135940 -0.4696588 0.0000000 -0.2171844 -2.4929476 0.0000000 0.0000000 0.0000000 -2.3832352 10 Cl -2.3183830 -0.0818885 0.0000000 0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 11 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 12 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 13 Cl -1.1799126 -0.3749694 -0.0673451 -0.5445578 -1.1847737 -0.0749124 -0.0937203 -0.2335901 -2.4152965 14 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 15 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 16 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 17 Cl -1.1799126 -0.3749694 0.0673451 -0.5445578 -1.1847737 0.0749124 0.0937203 0.2335901 -2.4152965 18 Cl -1.1799126 0.3749694 0.0673451 0.5445578 -1.1847737 -0.0749124 0.0937203 -0.2335901 -2.4152965 19 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 20 Cl -1.1799126 0.3749694 -0.0673451 0.5445578 -1.1847737 0.0749124 -0.0937203 0.2335901 -2.4152965 21 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 22 Cl -2.0778343 0.4291266 0.0000000 0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 23 Cl -2.0778343 -0.4291266 0.0000000 -0.4838213 -1.2860602 0.0000000 0.0000000 0.0000000 -0.8232326 24 Cl -2.3183830 0.0818885 0.0000000 -0.1054978 -1.2665893 0.0000000 0.0000000 0.0000000 -0.6980386 25 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 26 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 27 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 28 Sn 2.9213664 -0.5326119 0.0000000 -0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 29 Sn 2.9213664 0.5326119 0.0000000 0.4434786 2.8845607 0.0000000 0.0000000 0.0000000 3.7389799 30 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 31 Sn 3.1497229 -0.1451252 0.0000000 -0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 32 Sn 3.1497229 0.1451252 0.0000000 0.0275491 3.1170714 0.0000000 0.0000000 0.0000000 3.8851248 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 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 0.782 ( 0.000 0.000 0.000) 0.000 0.981 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.671 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 16.451 0.000 0.000) 16.451 0.410 ( 19.043 0.000 0.000) 19.043 0.430 ( 21.090 0.000 0.000) 21.090 0.912 ( 7.693 0.000 0.000) 7.693 0.982 ( -0.077 0.000 0.000) 0.077 1.065 ( 9.930 0.000 0.000) 9.930 1.104 ( -4.499 0.000 0.000) 4.499 1.123 ( -1.732 0.000 0.000) 1.732 1.183 ( -5.645 0.000 0.000) 5.645 1.304 ( 0.396 0.000 0.000) 0.396 1.337 ( 0.328 0.000 0.000) 0.328 1.340 ( -0.084 0.000 0.000) 0.084 1.507 ( 1.716 0.000 0.000) 1.716 1.514 ( -2.312 0.000 0.000) 2.312 1.560 ( 4.886 0.000 0.000) 4.886 1.657 ( 3.021 0.000 0.000) 3.021 1.660 ( -1.545 0.000 0.000) 1.545 1.672 ( 4.617 0.000 0.000) 4.617 1.698 ( 1.615 0.000 0.000) 1.615 1.753 ( 2.115 0.000 0.000) 2.115 1.784 ( 3.573 0.000 0.000) 3.573 1.808 ( -0.917 0.000 0.000) 0.917 1.857 ( -1.980 0.000 0.000) 1.980 2.037 ( 2.054 0.000 0.000) 2.054 2.049 ( -4.395 0.000 0.000) 4.395 2.170 ( -1.177 0.000 0.000) 1.177 2.177 ( -3.558 0.000 0.000) 3.558 2.260 ( -5.652 0.000 0.000) 5.652 2.289 ( -0.507 0.000 0.000) 0.507 2.298 ( -2.057 0.000 0.000) 2.057 2.389 ( 0.343 0.000 0.000) 0.343 2.473 ( 1.656 0.000 0.000) 1.656 2.476 ( -0.049 0.000 0.000) 0.049 2.596 ( 4.120 0.000 0.000) 4.120 2.650 ( 1.214 0.000 0.000) 1.214 2.742 ( -8.347 0.000 0.000) 8.347 2.762 ( 0.194 0.000 0.000) 0.194 2.844 ( 3.061 0.000 0.000) 3.061 2.927 ( -2.800 0.000 0.000) 2.800 3.057 ( -0.370 0.000 0.000) 0.370 3.066 ( -0.897 0.000 0.000) 0.897 3.078 ( -7.415 0.000 0.000) 7.415 3.240 ( -1.814 0.000 0.000) 1.814 3.262 ( -1.878 0.000 0.000) 1.878 3.315 ( -0.725 0.000 0.000) 0.725 3.471 ( 9.654 0.000 0.000) 9.654 3.483 ( -5.999 0.000 0.000) 5.999 3.668 ( -0.343 0.000 0.000) 0.343 3.730 ( 1.061 0.000 0.000) 1.061 3.763 ( -1.964 0.000 0.000) 1.964 3.820 ( -3.623 0.000 0.000) 3.623 3.886 ( 4.686 0.000 0.000) 4.686 3.914 ( -4.274 0.000 0.000) 4.274 3.944 ( -3.796 0.000 0.000) 3.796 4.064 ( -1.868 0.000 0.000) 1.868 4.153 ( 2.308 0.000 0.000) 2.308 4.311 ( 2.389 0.000 0.000) 2.389 4.331 ( -3.099 0.000 0.000) 3.099 4.411 ( -0.618 0.000 0.000) 0.618 4.420 ( -1.778 0.000 0.000) 1.778 4.458 ( 5.808 0.000 0.000) 5.808 4.497 ( 1.436 0.000 0.000) 1.436 4.507 ( -4.532 0.000 0.000) 4.532 4.640 ( 1.200 0.000 0.000) 1.200 4.700 ( 2.751 0.000 0.000) 2.751 4.794 ( 3.953 0.000 0.000) 3.953 4.930 ( -0.439 0.000 0.000) 0.439 4.965 ( 0.347 0.000 0.000) 0.347 4.975 ( -0.170 0.000 0.000) 0.170 5.079 ( 3.091 0.000 0.000) 3.091 5.109 ( 1.351 0.000 0.000) 1.351 5.215 ( -4.160 0.000 0.000) 4.160 5.343 ( 0.290 0.000 0.000) 0.290 5.471 ( 0.860 0.000 0.000) 0.860 5.534 ( 4.367 0.000 0.000) 4.367 5.606 ( -0.099 0.000 0.000) 0.099 5.635 ( 4.441 0.000 0.000) 4.441 5.657 ( -1.996 0.000 0.000) 1.996 5.704 ( 1.771 0.000 0.000) 1.771 5.721 ( -0.142 0.000 0.000) 0.142 5.778 ( 3.932 0.000 0.000) 3.932 5.851 ( -3.213 0.000 0.000) 3.213 6.045 ( 0.380 0.000 0.000) 0.380 6.054 ( 0.086 0.000 0.000) 0.086 6.121 ( -2.452 0.000 0.000) 2.452 6.244 ( -3.069 0.000 0.000) 3.069 6.279 ( -10.396 0.000 0.000) 10.396 6.609 ( -12.248 0.000 0.000) 12.248 6.916 ( 4.870 0.000 0.000) 4.870 7.081 ( -1.824 0.000 0.000) 1.824 7.211 ( -0.215 0.000 0.000) 0.215 7.220 ( 3.239 0.000 0.000) 3.239 7.421 ( 0.184 0.000 0.000) 0.184 7.600 ( -1.025 0.000 0.000) 1.025 7.768 ( 7.929 0.000 0.000) 7.929 8.177 ( -1.215 0.000 0.000) 1.215 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 12.395 0.000 0.000) 12.395 0.760 ( 13.253 0.000 0.000) 13.253 0.827 ( 13.312 0.000 0.000) 13.312 0.965 ( -2.150 0.000 0.000) 2.150 1.001 ( 2.361 0.000 0.000) 2.361 1.018 ( -1.424 0.000 0.000) 1.424 1.075 ( -2.479 0.000 0.000) 2.479 1.105 ( 2.101 0.000 0.000) 2.101 1.322 ( 1.606 0.000 0.000) 1.606 1.328 ( -1.900 0.000 0.000) 1.900 1.357 ( 2.133 0.000 0.000) 2.133 1.377 ( 16.853 0.000 0.000) 16.853 1.438 ( -5.235 0.000 0.000) 5.235 1.498 ( -2.717 0.000 0.000) 2.717 1.636 ( 1.169 0.000 0.000) 1.169 1.691 ( 0.371 0.000 0.000) 0.371 1.717 ( 4.178 0.000 0.000) 4.178 1.747 ( 3.959 0.000 0.000) 3.959 1.764 ( -6.834 0.000 0.000) 6.834 1.774 ( 2.520 0.000 0.000) 2.520 1.829 ( 2.632 0.000 0.000) 2.632 1.833 ( 7.042 0.000 0.000) 7.042 1.838 ( 1.320 0.000 0.000) 1.320 1.972 ( -1.757 0.000 0.000) 1.757 2.002 ( -5.979 0.000 0.000) 5.979 2.067 ( -6.904 0.000 0.000) 6.904 2.172 ( 2.545 0.000 0.000) 2.545 2.176 ( -1.401 0.000 0.000) 1.401 2.226 ( -5.030 0.000 0.000) 5.030 2.277 ( -0.818 0.000 0.000) 0.818 2.413 ( 1.983 0.000 0.000) 1.983 2.471 ( -0.517 0.000 0.000) 0.517 2.513 ( 2.615 0.000 0.000) 2.615 2.539 ( -6.624 0.000 0.000) 6.624 2.596 ( -7.347 0.000 0.000) 7.347 2.727 ( -4.026 0.000 0.000) 4.026 2.753 ( 6.862 0.000 0.000) 6.862 2.859 ( -0.926 0.000 0.000) 0.926 2.933 ( 5.301 0.000 0.000) 5.301 3.008 ( -0.500 0.000 0.000) 0.500 3.034 ( -0.643 0.000 0.000) 0.643 3.052 ( -1.153 0.000 0.000) 1.153 3.173 ( -4.825 0.000 0.000) 4.825 3.225 ( -1.013 0.000 0.000) 1.013 3.228 ( -6.883 0.000 0.000) 6.883 3.350 ( -6.428 0.000 0.000) 6.428 3.670 ( 0.894 0.000 0.000) 0.894 3.679 ( 9.424 0.000 0.000) 9.424 3.733 ( -0.637 0.000 0.000) 0.637 3.755 ( -2.081 0.000 0.000) 2.081 3.758 ( 1.492 0.000 0.000) 1.492 3.805 ( -5.515 0.000 0.000) 5.515 3.872 ( -2.451 0.000 0.000) 2.451 4.006 ( 6.948 0.000 0.000) 6.948 4.010 ( -3.629 0.000 0.000) 3.629 4.199 ( 2.046 0.000 0.000) 2.046 4.274 ( -2.622 0.000 0.000) 2.622 4.333 ( -0.735 0.000 0.000) 0.735 4.337 ( -6.004 0.000 0.000) 6.004 4.372 ( -2.537 0.000 0.000) 2.537 4.469 ( 1.320 0.000 0.000) 1.320 4.523 ( 0.468 0.000 0.000) 0.468 4.615 ( 8.617 0.000 0.000) 8.617 4.678 ( 2.130 0.000 0.000) 2.130 4.727 ( 0.119 0.000 0.000) 0.119 4.844 ( -0.030 0.000 0.000) 0.030 4.929 ( 0.346 0.000 0.000) 0.346 4.956 ( -0.858 0.000 0.000) 0.858 4.997 ( 2.045 0.000 0.000) 2.045 5.126 ( -4.080 0.000 0.000) 4.080 5.142 ( 1.609 0.000 0.000) 1.609 5.146 ( 2.547 0.000 0.000) 2.547 5.366 ( 2.335 0.000 0.000) 2.335 5.489 ( -0.020 0.000 0.000) 0.020 5.608 ( 1.847 0.000 0.000) 1.847 5.617 ( -0.754 0.000 0.000) 0.754 5.648 ( 5.116 0.000 0.000) 5.116 5.699 ( -1.056 0.000 0.000) 1.056 5.764 ( -4.917 0.000 0.000) 4.917 5.780 ( 5.821 0.000 0.000) 5.821 5.780 ( 8.601 0.000 0.000) 8.601 5.885 ( 6.104 0.000 0.000) 6.104 6.017 ( -11.460 0.000 0.000) 11.460 6.050 ( -0.006 0.000 0.000) 0.006 6.053 ( -6.214 0.000 0.000) 6.214 6.057 ( 0.184 0.000 0.000) 0.184 6.155 ( -5.293 0.000 0.000) 5.293 6.309 ( -15.424 0.000 0.000) 15.424 7.001 ( 3.172 0.000 0.000) 3.172 7.058 ( -0.597 0.000 0.000) 0.597 7.274 ( 2.026 0.000 0.000) 2.026 7.286 ( 5.342 0.000 0.000) 5.342 7.394 ( -1.333 0.000 0.000) 1.333 7.556 ( -3.421 0.000 0.000) 3.421 7.929 ( 6.963 0.000 0.000) 6.963 8.133 ( -3.115 0.000 0.000) 3.115 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -7.436 0.000 0.000) 7.436 0.867 ( 7.436 0.000 0.000) 7.436 0.880 ( -1.824 0.000 0.000) 1.824 0.880 ( 1.824 0.000 0.000) 1.824 1.036 ( -1.400 0.000 0.000) 1.400 1.036 ( 1.400 0.000 0.000) 1.400 1.153 ( -10.010 0.000 0.000) 10.010 1.153 ( 10.010 0.000 0.000) 10.010 1.351 ( -1.326 0.000 0.000) 1.326 1.351 ( 1.326 0.000 0.000) 1.326 1.385 ( -4.034 0.000 0.000) 4.034 1.385 ( 4.034 0.000 0.000) 4.034 1.470 ( -6.165 0.000 0.000) 6.165 1.470 ( 6.165 0.000 0.000) 6.165 1.684 ( -2.589 0.000 0.000) 2.589 1.684 ( 2.589 0.000 0.000) 2.589 1.687 ( -11.746 0.000 0.000) 11.746 1.687 ( 11.746 0.000 0.000) 11.746 1.804 ( -2.761 0.000 0.000) 2.761 1.804 ( 2.761 0.000 0.000) 2.761 1.885 ( -3.202 0.000 0.000) 3.202 1.885 ( 3.202 0.000 0.000) 3.202 1.921 ( -1.426 0.000 0.000) 1.426 1.921 ( 1.426 0.000 0.000) 1.426 1.975 ( -1.053 0.000 0.000) 1.053 1.975 ( 1.053 0.000 0.000) 1.053 2.138 ( -0.279 0.000 0.000) 0.279 2.138 ( 0.279 0.000 0.000) 0.279 2.244 ( -2.792 0.000 0.000) 2.792 2.244 ( 2.792 0.000 0.000) 2.792 2.452 ( -1.374 0.000 0.000) 1.374 2.452 ( 1.374 0.000 0.000) 1.374 2.474 ( -1.392 0.000 0.000) 1.392 2.474 ( 1.392 0.000 0.000) 1.392 2.608 ( -6.408 0.000 0.000) 6.408 2.608 ( 6.408 0.000 0.000) 6.408 2.857 ( -1.631 0.000 0.000) 1.631 2.857 ( 1.631 0.000 0.000) 1.631 3.018 ( -1.183 0.000 0.000) 1.183 3.018 ( 1.183 0.000 0.000) 1.183 3.054 ( -6.170 0.000 0.000) 6.170 3.054 ( 6.170 0.000 0.000) 6.170 3.081 ( -5.576 0.000 0.000) 5.576 3.081 ( 5.576 0.000 0.000) 5.576 3.245 ( -3.181 0.000 0.000) 3.181 3.245 ( 3.181 0.000 0.000) 3.181 3.711 ( -3.260 0.000 0.000) 3.260 3.711 ( 3.260 0.000 0.000) 3.260 3.733 ( -0.431 0.000 0.000) 0.431 3.733 ( 0.431 0.000 0.000) 0.431 3.782 ( -0.198 0.000 0.000) 0.198 3.782 ( 0.198 0.000 0.000) 0.198 3.906 ( -5.879 0.000 0.000) 5.879 3.906 ( 5.879 0.000 0.000) 5.879 4.167 ( -8.035 0.000 0.000) 8.035 4.167 ( 8.035 0.000 0.000) 8.035 4.242 ( -2.354 0.000 0.000) 2.354 4.242 ( 2.354 0.000 0.000) 2.354 4.329 ( -1.115 0.000 0.000) 1.115 4.329 ( 1.115 0.000 0.000) 1.115 4.510 ( -1.675 0.000 0.000) 1.675 4.510 ( 1.675 0.000 0.000) 1.675 4.714 ( -1.275 0.000 0.000) 1.275 4.714 ( 1.275 0.000 0.000) 1.275 4.777 ( -6.241 0.000 0.000) 6.241 4.777 ( 6.241 0.000 0.000) 6.241 4.939 ( -0.678 0.000 0.000) 0.678 4.939 ( 0.678 0.000 0.000) 0.678 5.052 ( -3.133 0.000 0.000) 3.133 5.052 ( 3.133 0.000 0.000) 3.133 5.166 ( -0.436 0.000 0.000) 0.436 5.166 ( 0.436 0.000 0.000) 0.436 5.439 ( -4.022 0.000 0.000) 4.022 5.439 ( 4.022 0.000 0.000) 4.022 5.658 ( -2.635 0.000 0.000) 2.635 5.658 ( 2.635 0.000 0.000) 2.635 5.662 ( -4.405 0.000 0.000) 4.405 5.662 ( 4.405 0.000 0.000) 4.405 5.788 ( -9.045 0.000 0.000) 9.045 5.788 ( 9.045 0.000 0.000) 9.045 5.919 ( -6.316 0.000 0.000) 6.316 5.919 ( 6.316 0.000 0.000) 6.316 6.012 ( -12.305 0.000 0.000) 12.305 6.012 ( 12.305 0.000 0.000) 12.305 6.014 ( -5.453 0.000 0.000) 5.453 6.014 ( 5.453 0.000 0.000) 5.453 6.066 ( -1.226 0.000 0.000) 1.226 6.066 ( 1.226 0.000 0.000) 1.226 7.045 ( -1.098 0.000 0.000) 1.098 7.045 ( 1.098 0.000 0.000) 1.098 7.312 ( -1.662 0.000 0.000) 1.662 7.312 ( 1.662 0.000 0.000) 1.662 7.458 ( -5.752 0.000 0.000) 5.752 7.458 ( 5.752 0.000 0.000) 5.752 8.050 ( -4.864 0.000 0.000) 4.864 8.050 ( 4.864 0.000 0.000) 4.864 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 16.876 0.000) 16.876 0.410 ( 0.000 19.209 0.000) 19.209 0.547 ( 0.000 24.587 0.000) 24.587 0.851 ( 0.000 -1.782 0.000) 1.782 0.962 ( 0.000 5.225 0.000) 5.225 1.064 ( 0.000 6.718 0.000) 6.718 1.125 ( 0.000 -1.578 0.000) 1.578 1.172 ( 0.000 -14.384 0.000) 14.384 1.180 ( 0.000 1.940 0.000) 1.940 1.291 ( 0.000 -4.937 0.000) 4.937 1.296 ( 0.000 -3.161 0.000) 3.161 1.352 ( 0.000 3.194 0.000) 3.194 1.466 ( 0.000 1.021 0.000) 1.021 1.522 ( 0.000 5.670 0.000) 5.670 1.522 ( 0.000 -0.756 0.000) 0.756 1.565 ( 0.000 -5.431 0.000) 5.431 1.628 ( 0.000 -1.527 0.000) 1.527 1.646 ( 0.000 0.200 0.000) 0.200 1.743 ( 0.000 -0.766 0.000) 0.766 1.804 ( 0.000 2.898 0.000) 2.898 1.811 ( 0.000 -0.573 0.000) 0.573 1.909 ( 0.000 11.600 0.000) 11.600 1.965 ( 0.000 7.207 0.000) 7.207 1.997 ( 0.000 -7.858 0.000) 7.858 2.012 ( 0.000 3.603 0.000) 3.603 2.161 ( 0.000 -2.135 0.000) 2.135 2.215 ( 0.000 0.188 0.000) 0.188 2.232 ( 0.000 -0.742 0.000) 0.742 2.300 ( 0.000 -2.925 0.000) 2.925 2.322 ( 0.000 2.081 0.000) 2.081 2.376 ( 0.000 -6.626 0.000) 6.626 2.378 ( 0.000 -5.694 0.000) 5.694 2.464 ( 0.000 1.145 0.000) 1.145 2.469 ( 0.000 -7.066 0.000) 7.066 2.489 ( 0.000 0.477 0.000) 0.477 2.585 ( 0.000 -2.480 0.000) 2.480 2.720 ( 0.000 -6.890 0.000) 6.890 2.878 ( 0.000 -13.436 0.000) 13.436 3.034 ( 0.000 4.404 0.000) 4.404 3.072 ( 0.000 3.233 0.000) 3.233 3.080 ( 0.000 5.751 0.000) 5.751 3.231 ( 0.000 -2.039 0.000) 2.039 3.234 ( 0.000 10.045 0.000) 10.045 3.316 ( 0.000 8.820 0.000) 8.820 3.330 ( 0.000 0.333 0.000) 0.333 3.541 ( 0.000 -1.656 0.000) 1.656 3.595 ( 0.000 -3.314 0.000) 3.314 3.747 ( 0.000 -1.330 0.000) 1.330 3.792 ( 0.000 -2.153 0.000) 2.153 3.859 ( 0.000 1.594 0.000) 1.594 3.874 ( 0.000 0.943 0.000) 0.943 3.970 ( 0.000 0.296 0.000) 0.296 3.995 ( 0.000 3.655 0.000) 3.655 4.077 ( 0.000 -0.704 0.000) 0.704 4.080 ( 0.000 1.316 0.000) 1.316 4.099 ( 0.000 -3.658 0.000) 3.658 4.250 ( 0.000 -1.901 0.000) 1.901 4.250 ( 0.000 4.652 0.000) 4.652 4.361 ( 0.000 -2.323 0.000) 2.323 4.393 ( 0.000 -1.103 0.000) 1.103 4.491 ( 0.000 7.079 0.000) 7.079 4.492 ( 0.000 -4.358 0.000) 4.358 4.582 ( 0.000 0.504 0.000) 0.504 4.610 ( 0.000 -0.752 0.000) 0.752 4.706 ( 0.000 -3.391 0.000) 3.391 4.789 ( 0.000 -15.513 0.000) 15.513 4.858 ( 0.000 11.353 0.000) 11.353 4.878 ( 0.000 3.408 0.000) 3.408 5.008 ( 0.000 0.954 0.000) 0.954 5.151 ( 0.000 -0.445 0.000) 0.445 5.165 ( 0.000 -1.409 0.000) 1.409 5.251 ( 0.000 -1.861 0.000) 1.861 5.404 ( 0.000 5.622 0.000) 5.622 5.474 ( 0.000 1.051 0.000) 1.051 5.476 ( 0.000 -0.302 0.000) 0.302 5.536 ( 0.000 -1.847 0.000) 1.847 5.614 ( 0.000 -3.919 0.000) 3.919 5.619 ( 0.000 0.882 0.000) 0.882 5.687 ( 0.000 -4.218 0.000) 4.218 5.695 ( 0.000 -2.176 0.000) 2.176 5.915 ( 0.000 4.769 0.000) 4.769 5.995 ( 0.000 7.647 0.000) 7.647 6.043 ( 0.000 0.232 0.000) 0.232 6.052 ( 0.000 -0.121 0.000) 0.121 6.113 ( 0.000 -2.914 0.000) 2.914 6.245 ( 0.000 -3.018 0.000) 3.018 6.422 ( 0.000 6.099 0.000) 6.099 6.733 ( 0.000 -7.001 0.000) 7.001 6.998 ( 0.000 2.830 0.000) 2.830 7.094 ( 0.000 -3.203 0.000) 3.203 7.256 ( 0.000 2.777 0.000) 2.777 7.293 ( 0.000 -0.062 0.000) 0.062 7.396 ( 0.000 2.303 0.000) 2.303 7.531 ( 0.000 -3.418 0.000) 3.418 7.635 ( 0.000 1.173 0.000) 1.173 7.666 ( 0.000 -0.439 0.000) 0.439 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 4.012 7.296 0.000) 8.326 0.508 ( 10.064 11.069 0.000) 14.960 0.783 ( 10.169 14.227 0.000) 17.487 0.890 ( 2.681 -4.582 0.000) 5.309 0.934 ( -12.889 -12.559 0.000) 17.996 0.999 ( 1.682 3.160 0.000) 3.580 1.107 ( -1.651 -1.399 0.000) 2.164 1.148 ( 9.346 8.086 0.000) 12.358 1.246 ( 3.445 1.286 0.000) 3.677 1.274 ( 0.372 -0.191 0.000) 0.418 1.352 ( 0.226 2.568 0.000) 2.578 1.390 ( 4.169 1.862 0.000) 4.566 1.456 ( -0.832 -1.059 0.000) 1.347 1.553 ( 2.436 0.715 0.000) 2.538 1.585 ( 3.644 0.621 0.000) 3.697 1.609 ( 3.753 -4.305 0.000) 5.711 1.661 ( 3.205 -2.461 0.000) 4.040 1.686 ( 3.312 3.538 0.000) 4.846 1.761 ( 1.645 -1.076 0.000) 1.966 1.771 ( -2.284 0.629 0.000) 2.369 1.774 ( -1.458 2.625 0.000) 3.003 1.878 ( -2.152 6.248 0.000) 6.608 1.943 ( -1.157 7.122 0.000) 7.215 2.013 ( -0.102 -3.131 0.000) 3.133 2.033 ( 1.530 2.318 0.000) 2.777 2.120 ( -4.641 -2.392 0.000) 5.221 2.184 ( -0.367 0.357 0.000) 0.512 2.239 ( -6.043 2.751 0.000) 6.640 2.243 ( -0.311 -2.564 0.000) 2.583 2.289 ( -1.563 -3.843 0.000) 4.149 2.370 ( -0.338 -5.600 0.000) 5.610 2.409 ( 3.038 -3.695 0.000) 4.784 2.437 ( -0.003 0.423 0.000) 0.423 2.526 ( 4.947 -5.406 0.000) 7.328 2.609 ( 5.114 -6.902 0.000) 8.590 2.645 ( 3.654 -0.809 0.000) 3.742 2.685 ( -2.754 -3.342 0.000) 4.331 2.854 ( -2.180 -11.539 0.000) 11.743 2.994 ( -2.310 6.656 0.000) 7.046 3.058 ( -1.651 6.371 0.000) 6.581 3.109 ( 1.787 -0.478 0.000) 1.850 3.153 ( -3.416 6.432 0.000) 7.283 3.192 ( -6.798 4.937 0.000) 8.402 3.305 ( -0.314 0.325 0.000) 0.452 3.385 ( 3.872 -1.285 0.000) 4.080 3.482 ( -5.055 -0.163 0.000) 5.058 3.487 ( -9.090 1.025 0.000) 9.148 3.710 ( -3.777 2.391 0.000) 4.470 3.790 ( -2.472 -1.730 0.000) 3.017 3.826 ( -2.846 2.453 0.000) 3.757 3.831 ( -3.056 -3.613 0.000) 4.732 3.901 ( -0.999 0.984 0.000) 1.402 3.965 ( -2.068 5.418 0.000) 5.799 3.990 ( -2.873 5.524 0.000) 6.226 4.045 ( -2.599 -1.474 0.000) 2.988 4.152 ( 2.551 -1.563 0.000) 2.992 4.260 ( 0.637 -1.633 0.000) 1.753 4.284 ( 2.842 1.093 0.000) 3.045 4.378 ( 1.959 0.105 0.000) 1.962 4.406 ( -3.265 0.331 0.000) 3.281 4.433 ( 2.772 -1.350 0.000) 3.083 4.533 ( 1.442 3.549 0.000) 3.831 4.568 ( -1.124 0.747 0.000) 1.350 4.628 ( 1.570 -0.704 0.000) 1.721 4.735 ( 1.786 -3.990 0.000) 4.371 4.798 ( 0.013 -4.210 0.000) 4.210 4.890 ( 3.524 0.095 0.000) 3.526 4.905 ( 0.557 0.643 0.000) 0.851 4.989 ( -2.024 -0.387 0.000) 2.060 5.083 ( -0.467 5.579 0.000) 5.599 5.162 ( -0.375 -2.205 0.000) 2.237 5.231 ( -1.254 -0.194 0.000) 1.269 5.404 ( 0.228 5.094 0.000) 5.099 5.489 ( 1.258 1.619 0.000) 2.050 5.525 ( 3.479 -0.802 0.000) 3.570 5.570 ( 2.496 -1.805 0.000) 3.080 5.611 ( -0.456 -3.100 0.000) 3.133 5.628 ( 1.759 0.502 0.000) 1.829 5.701 ( 1.361 -4.647 0.000) 4.842 5.720 ( 1.275 -0.469 0.000) 1.359 5.807 ( -3.656 7.282 0.000) 8.148 5.970 ( -1.800 7.185 0.000) 7.407 6.050 ( 0.390 0.565 0.000) 0.687 6.052 ( 0.047 -0.162 0.000) 0.169 6.107 ( -2.500 -3.968 0.000) 4.690 6.215 ( -2.848 -2.805 0.000) 3.997 6.300 ( -10.473 4.634 0.000) 11.453 6.568 ( -12.690 -4.415 0.000) 13.436 6.932 ( 1.474 1.634 0.000) 2.201 7.050 ( -1.955 -2.787 0.000) 3.404 7.237 ( 0.596 2.652 0.000) 2.718 7.269 ( 1.299 2.429 0.000) 2.755 7.444 ( 0.201 2.234 0.000) 2.243 7.579 ( -1.153 -2.150 0.000) 2.440 7.770 ( 8.807 0.535 0.000) 8.823 7.960 ( 12.979 -11.400 0.000) 17.275 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 21.371 -8.326 0.000) 22.936 0.724 ( 9.848 5.208 0.000) 11.140 0.743 ( 0.914 -13.678 0.000) 13.709 0.942 ( 1.855 -2.925 0.000) 3.464 0.974 ( 2.320 6.373 0.000) 6.782 1.003 ( -1.083 0.782 0.000) 1.336 1.061 ( -2.525 -1.162 0.000) 2.780 1.263 ( -0.646 6.160 0.000) 6.194 1.286 ( -0.829 -4.815 0.000) 4.886 1.353 ( -1.060 2.190 0.000) 2.433 1.397 ( 12.671 3.095 0.000) 13.044 1.412 ( 1.063 3.389 0.000) 3.552 1.440 ( -1.592 0.979 0.000) 1.869 1.551 ( -2.644 3.697 0.000) 4.545 1.647 ( 0.433 -0.974 0.000) 1.066 1.675 ( 1.085 -3.905 0.000) 4.053 1.722 ( -3.772 2.869 0.000) 4.739 1.744 ( 3.986 -3.926 0.000) 5.595 1.774 ( 4.587 4.597 0.000) 6.494 1.803 ( 0.185 3.568 0.000) 3.573 1.805 ( 1.931 -3.689 0.000) 4.164 1.815 ( 2.887 1.412 0.000) 3.214 1.954 ( 2.910 7.096 0.000) 7.669 1.990 ( -2.514 1.410 0.000) 2.883 2.047 ( -2.138 -2.328 0.000) 3.161 2.067 ( 1.554 2.119 0.000) 2.628 2.110 ( -4.862 5.947 0.000) 7.682 2.170 ( -0.222 -0.230 0.000) 0.320 2.234 ( -0.545 -3.140 0.000) 3.187 2.251 ( -2.364 -3.725 0.000) 4.412 2.381 ( 1.524 -5.822 0.000) 6.018 2.436 ( -0.013 -0.015 0.000) 0.020 2.493 ( 4.406 -1.498 0.000) 4.654 2.562 ( -3.419 -0.105 0.000) 3.420 2.616 ( -4.533 3.055 0.000) 5.467 2.653 ( -0.582 -5.227 0.000) 5.260 2.732 ( 6.484 -2.036 0.000) 6.796 2.842 ( 2.317 -3.496 0.000) 4.194 2.969 ( 0.477 2.936 0.000) 2.974 3.022 ( -2.019 3.778 0.000) 4.284 3.067 ( -5.132 2.126 0.000) 5.554 3.100 ( -1.203 4.317 0.000) 4.482 3.112 ( -2.088 -3.014 0.000) 3.666 3.219 ( -6.177 -0.709 0.000) 6.218 3.311 ( -5.913 4.128 0.000) 7.211 3.367 ( -5.725 1.540 0.000) 5.928 3.501 ( 6.208 -7.424 0.000) 9.678 3.638 ( -1.999 -1.451 0.000) 2.470 3.703 ( -4.257 -3.065 0.000) 5.246 3.738 ( -5.313 -9.141 0.000) 10.573 3.820 ( 0.793 5.731 0.000) 5.786 3.874 ( -2.346 3.894 0.000) 4.546 3.934 ( -0.762 4.032 0.000) 4.103 3.986 ( -2.865 -1.172 0.000) 3.095 4.010 ( 4.429 0.540 0.000) 4.462 4.193 ( 0.604 -2.701 0.000) 2.767 4.260 ( -0.738 -0.652 0.000) 0.985 4.333 ( -3.464 1.052 0.000) 3.620 4.348 ( 3.158 5.699 0.000) 6.515 4.426 ( 1.420 2.430 0.000) 2.814 4.479 ( 1.950 0.269 0.000) 1.969 4.546 ( -0.883 0.742 0.000) 1.153 4.603 ( 5.161 -0.251 0.000) 5.167 4.672 ( 2.586 -0.220 0.000) 2.596 4.754 ( -0.348 -5.442 0.000) 5.453 4.777 ( -1.832 3.025 0.000) 3.536 4.899 ( -0.271 -0.852 0.000) 0.895 4.939 ( -2.194 -1.700 0.000) 2.776 4.987 ( 5.148 -7.271 0.000) 8.909 5.129 ( 2.799 7.539 0.000) 8.042 5.142 ( -1.793 -4.261 0.000) 4.622 5.211 ( -1.055 5.919 0.000) 6.012 5.421 ( 1.564 3.975 0.000) 4.272 5.505 ( -0.570 0.958 0.000) 1.115 5.574 ( 2.489 -2.534 0.000) 3.552 5.611 ( 1.413 -0.024 0.000) 1.413 5.628 ( 2.242 -1.414 0.000) 2.651 5.720 ( -0.511 -3.297 0.000) 3.337 5.729 ( 7.465 -1.335 0.000) 7.584 5.732 ( 0.314 1.695 0.000) 1.724 5.819 ( 4.382 1.589 0.000) 4.661 5.953 ( 1.081 4.938 0.000) 5.055 5.991 ( -8.804 -4.512 0.000) 9.893 6.052 ( -0.133 0.002 0.000) 0.133 6.056 ( 0.161 0.061 0.000) 0.173 6.086 ( -8.185 4.700 0.000) 9.439 6.135 ( -4.678 -1.997 0.000) 5.087 6.280 ( -14.375 -2.782 0.000) 14.641 6.992 ( 2.988 -0.363 0.000) 3.010 7.037 ( 0.123 -1.693 0.000) 1.697 7.277 ( 2.234 1.229 0.000) 2.550 7.325 ( 4.584 1.380 0.000) 4.787 7.404 ( -3.127 1.614 0.000) 3.520 7.533 ( -3.365 -2.181 0.000) 4.010 7.942 ( 6.845 1.340 0.000) 6.975 8.078 ( 0.850 -4.287 0.000) 4.371 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -8.412 -1.184 0.000) 8.495 0.847 ( 8.412 -1.184 0.000) 8.495 0.894 ( -6.267 2.241 0.000) 6.655 0.894 ( 6.267 2.241 0.000) 6.655 1.014 ( -2.037 -1.935 0.000) 2.810 1.014 ( 2.037 -1.935 0.000) 2.810 1.061 ( -16.141 -7.363 0.000) 17.741 1.061 ( 16.141 -7.363 0.000) 17.741 1.351 ( -3.594 0.264 0.000) 3.604 1.351 ( 3.594 0.264 0.000) 3.604 1.409 ( -1.386 1.084 0.000) 1.760 1.409 ( 1.386 1.084 0.000) 1.760 1.547 ( -4.293 5.051 0.000) 6.628 1.547 ( 4.293 5.051 0.000) 6.628 1.614 ( -7.281 -2.612 0.000) 7.735 1.614 ( 7.281 -2.612 0.000) 7.735 1.742 ( -2.835 5.029 0.000) 5.773 1.742 ( 2.835 5.029 0.000) 5.773 1.803 ( -1.801 -4.182 0.000) 4.554 1.803 ( 1.801 -4.182 0.000) 4.554 1.887 ( -2.688 0.344 0.000) 2.710 1.887 ( 2.688 0.344 0.000) 2.710 1.966 ( -4.394 3.568 0.000) 5.660 1.966 ( 4.394 3.568 0.000) 5.660 2.024 ( -2.857 5.936 0.000) 6.588 2.024 ( 2.857 5.936 0.000) 6.588 2.167 ( -5.895 0.911 0.000) 5.965 2.167 ( 5.895 0.911 0.000) 5.965 2.205 ( -2.380 -3.374 0.000) 4.130 2.205 ( 2.380 -3.374 0.000) 4.130 2.419 ( -1.660 -3.828 0.000) 4.173 2.419 ( 1.660 -3.828 0.000) 4.173 2.522 ( -1.511 4.022 0.000) 4.296 2.522 ( 1.511 4.022 0.000) 4.296 2.593 ( -4.744 -0.095 0.000) 4.745 2.593 ( 4.744 -0.095 0.000) 4.745 2.870 ( -3.307 1.402 0.000) 3.592 2.870 ( 3.307 1.402 0.000) 3.592 2.985 ( -0.664 -2.594 0.000) 2.678 2.985 ( 0.664 -2.594 0.000) 2.678 3.026 ( -4.739 -2.124 0.000) 5.194 3.026 ( 4.739 -2.124 0.000) 5.194 3.116 ( -2.858 2.720 0.000) 3.945 3.116 ( 2.858 2.720 0.000) 3.945 3.278 ( -2.147 3.027 0.000) 3.711 3.278 ( 2.147 3.027 0.000) 3.711 3.625 ( -5.680 -10.263 0.000) 11.730 3.625 ( 5.680 -10.263 0.000) 11.730 3.638 ( -1.801 -3.562 0.000) 3.991 3.638 ( 1.801 -3.562 0.000) 3.991 3.838 ( -1.139 5.728 0.000) 5.840 3.838 ( 1.139 5.728 0.000) 5.840 3.939 ( -1.345 0.937 0.000) 1.639 3.939 ( 1.345 0.937 0.000) 1.639 4.124 ( -5.815 -3.523 0.000) 6.799 4.124 ( 5.815 -3.523 0.000) 6.799 4.279 ( -2.129 2.887 0.000) 3.587 4.279 ( 2.129 2.887 0.000) 3.587 4.408 ( -2.405 5.601 0.000) 6.095 4.408 ( 2.405 5.601 0.000) 6.095 4.523 ( -1.702 0.638 0.000) 1.818 4.523 ( 1.702 0.638 0.000) 1.818 4.709 ( -4.093 -4.680 0.000) 6.217 4.709 ( 4.093 -4.680 0.000) 6.217 4.728 ( -2.732 1.845 0.000) 3.297 4.728 ( 2.732 1.845 0.000) 3.297 4.906 ( -0.964 -1.541 0.000) 1.817 4.906 ( 0.964 -1.541 0.000) 1.817 5.083 ( -3.861 -6.590 0.000) 7.637 5.083 ( 3.861 -6.590 0.000) 7.637 5.178 ( -2.041 8.539 0.000) 8.780 5.178 ( 2.041 8.539 0.000) 8.780 5.466 ( -2.493 1.892 0.000) 3.129 5.466 ( 2.493 1.892 0.000) 3.129 5.637 ( -2.045 -2.846 0.000) 3.504 5.637 ( 2.045 -2.846 0.000) 3.504 5.671 ( -3.535 0.464 0.000) 3.565 5.671 ( 3.535 0.464 0.000) 3.565 5.774 ( -4.569 -0.546 0.000) 4.602 5.774 ( 4.569 -0.546 0.000) 4.602 5.920 ( -3.318 0.000 0.000) 3.318 5.920 ( 3.318 0.000 0.000) 3.318 6.011 ( -9.230 0.016 0.000) 9.230 6.011 ( 9.230 0.016 0.000) 9.230 6.018 ( -4.145 0.380 0.000) 4.162 6.018 ( 4.145 0.380 0.000) 4.162 6.062 ( -0.875 -0.263 0.000) 0.914 6.062 ( 0.875 -0.263 0.000) 0.914 7.033 ( -0.923 -0.847 0.000) 1.252 7.033 ( 0.923 -0.847 0.000) 1.252 7.331 ( -3.133 1.737 0.000) 3.583 7.331 ( 3.133 1.737 0.000) 3.583 7.440 ( -5.393 -1.562 0.000) 5.615 7.440 ( 5.393 -1.562 0.000) 5.615 8.047 ( -3.391 -0.274 0.000) 3.402 8.047 ( 3.391 -0.274 0.000) 3.402 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 -11.668 0.000) 11.668 0.686 ( 0.000 11.668 0.000) 11.668 0.797 ( 0.000 -16.462 0.000) 16.462 0.797 ( 0.000 16.462 0.000) 16.462 1.020 ( 0.000 -15.876 0.000) 15.876 1.020 ( 0.000 15.876 0.000) 15.876 1.072 ( 0.000 -3.559 0.000) 3.559 1.072 ( 0.000 3.559 0.000) 3.559 1.252 ( 0.000 -1.779 0.000) 1.779 1.252 ( 0.000 1.779 0.000) 1.779 1.319 ( 0.000 -14.870 0.000) 14.870 1.319 ( 0.000 14.870 0.000) 14.870 1.436 ( 0.000 -3.906 0.000) 3.906 1.436 ( 0.000 3.906 0.000) 3.906 1.562 ( 0.000 -2.304 0.000) 2.304 1.562 ( 0.000 2.304 0.000) 2.304 1.672 ( 0.000 -4.338 0.000) 4.338 1.672 ( 0.000 4.338 0.000) 4.338 1.739 ( 0.000 -6.941 0.000) 6.941 1.739 ( 0.000 6.941 0.000) 6.941 1.861 ( 0.000 -3.258 0.000) 3.258 1.861 ( 0.000 3.258 0.000) 3.258 2.094 ( 0.000 -5.129 0.000) 5.129 2.094 ( 0.000 5.129 0.000) 5.129 2.134 ( 0.000 -3.864 0.000) 3.864 2.134 ( 0.000 3.864 0.000) 3.864 2.222 ( 0.000 -6.388 0.000) 6.388 2.222 ( 0.000 6.388 0.000) 6.388 2.227 ( 0.000 -0.484 0.000) 0.484 2.227 ( 0.000 0.484 0.000) 0.484 2.282 ( 0.000 -0.581 0.000) 0.581 2.282 ( 0.000 0.581 0.000) 0.581 2.487 ( 0.000 -0.697 0.000) 0.697 2.487 ( 0.000 0.697 0.000) 0.697 2.515 ( 0.000 -8.185 0.000) 8.185 2.515 ( 0.000 8.185 0.000) 8.185 2.650 ( 0.000 -2.278 0.000) 2.278 2.650 ( 0.000 2.278 0.000) 2.278 3.103 ( 0.000 -1.136 0.000) 1.136 3.103 ( 0.000 1.136 0.000) 1.136 3.172 ( 0.000 -3.541 0.000) 3.541 3.172 ( 0.000 3.541 0.000) 3.541 3.331 ( 0.000 -1.311 0.000) 1.311 3.331 ( 0.000 1.311 0.000) 1.311 3.527 ( 0.000 -1.347 0.000) 1.347 3.527 ( 0.000 1.347 0.000) 1.347 3.635 ( 0.000 -16.668 0.000) 16.668 3.635 ( 0.000 16.668 0.000) 16.668 3.757 ( 0.000 -1.371 0.000) 1.371 3.757 ( 0.000 1.371 0.000) 1.371 3.923 ( 0.000 -3.653 0.000) 3.653 3.923 ( 0.000 3.653 0.000) 3.653 4.060 ( 0.000 -0.883 0.000) 0.883 4.060 ( 0.000 0.883 0.000) 0.883 4.077 ( 0.000 -1.105 0.000) 1.105 4.077 ( 0.000 1.105 0.000) 1.105 4.362 ( 0.000 -2.000 0.000) 2.000 4.362 ( 0.000 2.000 0.000) 2.000 4.376 ( 0.000 -6.245 0.000) 6.245 4.376 ( 0.000 6.245 0.000) 6.245 4.437 ( 0.000 -15.212 0.000) 15.212 4.437 ( 0.000 15.212 0.000) 15.212 4.600 ( 0.000 -1.151 0.000) 1.151 4.600 ( 0.000 1.151 0.000) 1.151 4.620 ( 0.000 -4.959 0.000) 4.959 4.620 ( 0.000 4.959 0.000) 4.959 4.965 ( 0.000 -4.192 0.000) 4.192 4.965 ( 0.000 4.192 0.000) 4.192 5.061 ( 0.000 -7.701 0.000) 7.701 5.061 ( 0.000 7.701 0.000) 7.701 5.191 ( 0.000 -3.375 0.000) 3.375 5.191 ( 0.000 3.375 0.000) 3.375 5.492 ( 0.000 -1.826 0.000) 1.826 5.492 ( 0.000 1.826 0.000) 1.826 5.495 ( 0.000 -0.418 0.000) 0.418 5.495 ( 0.000 0.418 0.000) 0.418 5.587 ( 0.000 -3.470 0.000) 3.470 5.587 ( 0.000 3.470 0.000) 3.470 5.649 ( 0.000 -1.920 0.000) 1.920 5.649 ( 0.000 1.920 0.000) 1.920 6.026 ( 0.000 -5.165 0.000) 5.165 6.026 ( 0.000 5.165 0.000) 5.165 6.048 ( 0.000 -0.239 0.000) 0.239 6.048 ( 0.000 0.239 0.000) 0.239 6.147 ( 0.000 -6.271 0.000) 6.271 6.147 ( 0.000 6.271 0.000) 6.271 6.574 ( 0.000 -7.812 0.000) 7.812 6.574 ( 0.000 7.812 0.000) 7.812 7.043 ( 0.000 -1.842 0.000) 1.842 7.043 ( 0.000 1.842 0.000) 1.842 7.291 ( 0.000 -0.547 0.000) 0.547 7.291 ( 0.000 0.547 0.000) 0.547 7.457 ( 0.000 -3.407 0.000) 3.407 7.457 ( 0.000 3.407 0.000) 3.407 7.654 ( 0.000 -0.713 0.000) 0.713 7.654 ( 0.000 0.713 0.000) 0.713 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -14.016 -18.057 0.000) 22.858 0.556 ( -14.016 18.057 0.000) 22.858 0.736 ( 4.468 -9.631 0.000) 10.617 0.736 ( 4.468 9.631 0.000) 10.617 1.065 ( -0.844 -2.658 0.000) 2.789 1.065 ( -0.844 2.658 0.000) 2.789 1.098 ( 3.570 -11.091 0.000) 11.651 1.098 ( 3.570 11.091 0.000) 11.651 1.357 ( 6.781 -2.773 0.000) 7.326 1.357 ( 6.781 2.773 0.000) 7.326 1.388 ( 6.070 -13.287 0.000) 14.608 1.388 ( 6.070 13.287 0.000) 14.608 1.428 ( -0.453 -3.215 0.000) 3.247 1.428 ( -0.453 3.215 0.000) 3.247 1.582 ( 1.490 -1.654 0.000) 2.226 1.582 ( 1.490 1.654 0.000) 2.226 1.691 ( 1.646 -3.631 0.000) 3.987 1.691 ( 1.646 3.631 0.000) 3.987 1.749 ( 0.387 -2.364 0.000) 2.396 1.749 ( 0.387 2.364 0.000) 2.396 1.869 ( 1.362 -5.943 0.000) 6.097 1.869 ( 1.362 5.943 0.000) 6.097 2.052 ( -3.941 -4.937 0.000) 6.317 2.052 ( -3.941 4.937 0.000) 6.317 2.112 ( -1.466 -6.729 0.000) 6.887 2.112 ( -1.466 6.729 0.000) 6.887 2.208 ( -1.240 -6.402 0.000) 6.521 2.208 ( -1.240 6.402 0.000) 6.521 2.211 ( -1.026 -1.531 0.000) 1.843 2.211 ( -1.026 1.531 0.000) 1.843 2.306 ( 1.862 -2.405 0.000) 3.042 2.306 ( 1.862 2.405 0.000) 3.042 2.496 ( 1.242 -3.949 0.000) 4.140 2.496 ( 1.242 3.949 0.000) 4.140 2.570 ( 4.533 -10.277 0.000) 11.232 2.570 ( 4.533 10.277 0.000) 11.232 2.651 ( 0.317 -1.003 0.000) 1.052 2.651 ( 0.317 1.003 0.000) 1.052 3.091 ( -1.382 -2.503 0.000) 2.859 3.091 ( -1.382 2.503 0.000) 2.859 3.164 ( -1.042 -3.715 0.000) 3.859 3.164 ( -1.042 3.715 0.000) 3.859 3.280 ( -4.528 -3.691 0.000) 5.842 3.280 ( -4.528 3.691 0.000) 5.842 3.481 ( -4.409 -0.447 0.000) 4.432 3.481 ( -4.409 0.447 0.000) 4.432 3.584 ( -4.124 -15.297 0.000) 15.843 3.584 ( -4.124 15.297 0.000) 15.843 3.745 ( -3.135 -1.624 0.000) 3.531 3.745 ( -3.135 1.624 0.000) 3.531 3.886 ( -0.876 -2.706 0.000) 2.845 3.886 ( -0.876 2.706 0.000) 2.845 4.028 ( -2.638 -0.565 0.000) 2.698 4.028 ( -2.638 0.565 0.000) 2.698 4.069 ( -0.108 -3.439 0.000) 3.441 4.069 ( -0.108 3.439 0.000) 3.441 4.343 ( -2.430 -5.291 0.000) 5.822 4.343 ( -2.430 5.291 0.000) 5.822 4.401 ( 3.125 -1.493 0.000) 3.464 4.401 ( 3.125 1.493 0.000) 3.464 4.477 ( 2.733 -12.656 0.000) 12.947 4.477 ( 2.733 12.656 0.000) 12.947 4.621 ( 2.445 -1.297 0.000) 2.767 4.621 ( 2.445 1.297 0.000) 2.767 4.636 ( 0.945 -5.338 0.000) 5.421 4.636 ( 0.945 5.338 0.000) 5.421 4.948 ( -2.016 -2.693 0.000) 3.364 4.948 ( -2.016 2.693 0.000) 3.364 5.050 ( -1.105 -7.650 0.000) 7.729 5.050 ( -1.105 7.650 0.000) 7.729 5.184 ( 1.480 -3.875 0.000) 4.148 5.184 ( 1.480 3.875 0.000) 4.148 5.496 ( -0.007 -2.628 0.000) 2.628 5.496 ( -0.007 2.628 0.000) 2.628 5.527 ( 2.632 -1.305 0.000) 2.937 5.527 ( 2.632 1.305 0.000) 2.937 5.602 ( 1.520 -3.690 0.000) 3.991 5.602 ( 1.520 3.690 0.000) 3.991 5.678 ( 2.301 -2.894 0.000) 3.697 5.678 ( 2.301 2.894 0.000) 3.697 5.973 ( -4.626 -7.792 0.000) 9.062 5.973 ( -4.626 7.792 0.000) 9.062 6.046 ( -0.171 -0.519 0.000) 0.546 6.046 ( -0.171 0.519 0.000) 0.546 6.125 ( -2.031 -5.637 0.000) 5.992 6.125 ( -2.031 5.637 0.000) 5.992 6.438 ( -11.130 -7.198 0.000) 13.255 6.438 ( -11.130 7.198 0.000) 13.255 6.983 ( -1.135 -3.098 0.000) 3.300 6.983 ( -1.135 3.098 0.000) 3.300 7.284 ( 0.552 -1.121 0.000) 1.249 7.284 ( 0.552 1.121 0.000) 1.249 7.512 ( -0.321 -3.808 0.000) 3.821 7.512 ( -0.321 3.808 0.000) 3.821 7.809 ( 11.790 -3.726 0.000) 12.365 7.809 ( 11.790 3.726 0.000) 12.365 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 13.364 -4.251 0.000) 14.024 0.529 ( 13.364 4.251 0.000) 14.024 0.846 ( 5.603 -5.744 0.000) 8.025 0.846 ( 5.603 5.744 0.000) 8.025 1.031 ( -2.461 -1.580 0.000) 2.925 1.031 ( -2.461 1.580 0.000) 2.925 1.130 ( -2.552 -8.235 0.000) 8.621 1.130 ( -2.552 8.235 0.000) 8.621 1.360 ( -2.614 -2.188 0.000) 3.409 1.360 ( -2.614 2.188 0.000) 3.409 1.455 ( -0.754 -0.529 0.000) 0.921 1.455 ( -0.754 0.529 0.000) 0.921 1.528 ( 6.254 -8.611 0.000) 10.642 1.528 ( 6.254 8.611 0.000) 10.642 1.610 ( 0.436 -2.067 0.000) 2.112 1.610 ( 0.436 2.067 0.000) 2.112 1.723 ( 1.024 -2.007 0.000) 2.253 1.723 ( 1.024 2.007 0.000) 2.253 1.772 ( 2.880 -2.080 0.000) 3.553 1.772 ( 2.880 2.080 0.000) 3.553 1.912 ( 0.749 -1.365 0.000) 1.557 1.912 ( 0.749 1.365 0.000) 1.557 1.981 ( -0.132 -0.785 0.000) 0.796 1.981 ( -0.132 0.785 0.000) 0.796 2.102 ( 0.854 -5.855 0.000) 5.917 2.102 ( 0.854 5.855 0.000) 5.917 2.176 ( -1.782 -1.187 0.000) 2.141 2.176 ( -1.782 1.187 0.000) 2.141 2.182 ( -2.090 -2.205 0.000) 3.038 2.182 ( -2.090 2.205 0.000) 3.038 2.341 ( 1.234 -4.102 0.000) 4.283 2.341 ( 1.234 4.102 0.000) 4.283 2.550 ( 3.667 -4.503 0.000) 5.807 2.550 ( 3.667 4.503 0.000) 5.807 2.605 ( -1.279 -4.312 0.000) 4.498 2.605 ( -1.279 4.312 0.000) 4.498 2.736 ( 7.787 -3.828 0.000) 8.677 2.736 ( 7.787 3.828 0.000) 8.677 3.041 ( -3.178 -3.671 0.000) 4.855 3.041 ( -3.178 3.671 0.000) 4.855 3.098 ( -6.529 -1.347 0.000) 6.666 3.098 ( -6.529 1.347 0.000) 6.666 3.187 ( -2.873 -3.288 0.000) 4.367 3.187 ( -2.873 3.288 0.000) 4.367 3.376 ( -4.471 -1.596 0.000) 4.748 3.376 ( -4.471 1.596 0.000) 4.748 3.508 ( -2.504 -9.051 0.000) 9.391 3.508 ( -2.504 9.051 0.000) 9.391 3.641 ( -4.823 -2.086 0.000) 5.255 3.641 ( -4.823 2.086 0.000) 5.255 3.907 ( 1.261 -1.813 0.000) 2.208 3.907 ( 1.261 1.813 0.000) 2.208 3.972 ( -2.340 -0.589 0.000) 2.413 3.972 ( -2.340 0.589 0.000) 2.413 4.071 ( -0.164 -5.892 0.000) 5.895 4.071 ( -0.164 5.892 0.000) 5.895 4.312 ( -0.026 -3.115 0.000) 3.115 4.312 ( -0.026 3.115 0.000) 3.115 4.464 ( 2.538 -1.726 0.000) 3.069 4.464 ( 2.538 1.726 0.000) 3.069 4.511 ( 0.519 -5.270 0.000) 5.295 4.511 ( 0.519 5.270 0.000) 5.295 4.647 ( 0.141 -4.304 0.000) 4.307 4.647 ( 0.141 4.304 0.000) 4.307 4.708 ( 5.143 -5.182 0.000) 7.301 4.708 ( 5.143 5.182 0.000) 7.301 4.904 ( -1.570 -1.190 0.000) 1.970 4.904 ( -1.570 1.190 0.000) 1.970 5.014 ( -2.331 -6.730 0.000) 7.122 5.014 ( -2.331 6.730 0.000) 7.122 5.253 ( 3.992 -3.148 0.000) 5.084 5.253 ( 3.992 3.148 0.000) 5.084 5.493 ( -0.208 -2.344 0.000) 2.354 5.493 ( -0.208 2.344 0.000) 2.354 5.572 ( 0.981 -2.804 0.000) 2.971 5.572 ( 0.981 2.804 0.000) 2.971 5.646 ( 2.301 -3.274 0.000) 4.002 5.646 ( 2.301 3.274 0.000) 4.002 5.737 ( 3.470 -1.090 0.000) 3.638 5.737 ( 3.470 1.090 0.000) 3.638 5.882 ( -2.458 -4.740 0.000) 5.339 5.882 ( -2.458 4.740 0.000) 5.339 6.039 ( -0.695 -1.892 0.000) 2.016 6.039 ( -0.695 1.892 0.000) 2.016 6.077 ( -2.037 -2.668 0.000) 3.357 6.077 ( -2.037 2.668 0.000) 3.357 6.195 ( -11.587 -5.034 0.000) 12.634 6.195 ( -11.587 5.034 0.000) 12.634 7.002 ( 1.669 -1.328 0.000) 2.133 7.002 ( 1.669 1.328 0.000) 2.133 7.314 ( 2.354 -1.770 0.000) 2.945 7.314 ( 2.354 1.770 0.000) 2.945 7.469 ( -3.160 -3.678 0.000) 4.849 7.469 ( -3.160 3.678 0.000) 4.849 7.991 ( 5.332 -3.420 0.000) 6.335 7.991 ( 5.332 3.420 0.000) 6.335 ======================= Grid point 20 (12/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.926 ( -0.000 -0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 0.936 ( -0.000 -0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 0.976 ( -0.000 -0.000 0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.823 ( -0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 -0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 -0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 -0.000 0.000) 0.000 2.138 ( 0.000 -0.000 0.000) 0.000 2.145 ( 0.000 -0.000 0.000) 0.000 2.145 ( -0.000 0.000 0.000) 0.000 2.353 ( 0.000 -0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 -0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 -0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.899 ( -0.000 -0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.942 ( -0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 -0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 -0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 -0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 -0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 -0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 -0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.978 ( -0.000 -0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 -0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 -0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 -0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.013 ( -0.000 0.000 0.000) 0.000 6.013 ( -0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.410 ( -0.000 -0.000 0.000) 0.000 7.410 ( 0.000 -0.000 0.000) 0.000 8.043 ( 0.000 -0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 0.000 17.607) 17.607 0.354 ( 0.000 0.000 18.377) 18.377 0.573 ( 0.000 0.000 29.207) 29.207 0.919 ( 0.000 0.000 10.787) 10.787 1.107 ( 0.000 0.000 10.000) 10.000 1.110 ( 0.000 0.000 11.679) 11.679 1.136 ( 0.000 0.000 -0.896) 0.896 1.146 ( 0.000 0.000 0.813) 0.813 1.244 ( 0.000 0.000 6.126) 6.126 1.300 ( 0.000 0.000 0.370) 0.370 1.311 ( 0.000 0.000 -0.280) 0.280 1.332 ( 0.000 0.000 0.136) 0.136 1.377 ( 0.000 0.000 -5.165) 5.165 1.468 ( 0.000 0.000 -0.107) 0.107 1.530 ( 0.000 0.000 -0.542) 0.542 1.549 ( 0.000 0.000 -6.730) 6.730 1.649 ( 0.000 0.000 2.393) 2.393 1.665 ( 0.000 0.000 -0.477) 0.477 1.732 ( 0.000 0.000 -0.259) 0.259 1.777 ( 0.000 0.000 2.411) 2.411 1.845 ( 0.000 0.000 0.416) 0.416 1.956 ( 0.000 0.000 3.176) 3.176 1.974 ( 0.000 0.000 -6.906) 6.906 2.112 ( 0.000 0.000 2.895) 2.895 2.165 ( 0.000 0.000 -3.517) 3.517 2.175 ( 0.000 0.000 -4.498) 4.498 2.191 ( 0.000 0.000 3.827) 3.827 2.279 ( 0.000 0.000 -2.039) 2.039 2.342 ( 0.000 0.000 -1.026) 1.026 2.391 ( 0.000 0.000 -4.850) 4.850 2.403 ( 0.000 0.000 -5.945) 5.945 2.408 ( 0.000 0.000 -4.570) 4.570 2.476 ( 0.000 0.000 4.755) 4.755 2.532 ( 0.000 0.000 -5.553) 5.553 2.709 ( 0.000 0.000 10.438) 10.438 2.712 ( 0.000 0.000 -6.852) 6.852 2.740 ( 0.000 0.000 9.025) 9.025 2.922 ( 0.000 0.000 -3.942) 3.942 2.987 ( 0.000 0.000 5.420) 5.420 2.998 ( 0.000 0.000 -2.196) 2.196 3.036 ( 0.000 0.000 -1.397) 1.397 3.224 ( 0.000 0.000 -4.823) 4.823 3.266 ( 0.000 0.000 1.577) 1.577 3.303 ( 0.000 0.000 5.428) 5.428 3.380 ( 0.000 0.000 0.489) 0.489 3.523 ( 0.000 0.000 4.632) 4.632 3.590 ( 0.000 0.000 -0.602) 0.602 3.617 ( 0.000 0.000 4.254) 4.254 3.723 ( 0.000 0.000 0.431) 0.431 3.765 ( 0.000 0.000 -2.450) 2.450 3.832 ( 0.000 0.000 0.440) 0.440 3.848 ( 0.000 0.000 -10.640) 10.640 3.885 ( 0.000 0.000 2.142) 2.142 4.012 ( 0.000 0.000 3.204) 3.204 4.052 ( 0.000 0.000 -3.143) 3.143 4.106 ( 0.000 0.000 -0.710) 0.710 4.197 ( 0.000 0.000 -7.273) 7.273 4.353 ( 0.000 0.000 6.970) 6.970 4.362 ( 0.000 0.000 -6.933) 6.933 4.402 ( 0.000 0.000 1.341) 1.341 4.543 ( 0.000 0.000 5.055) 5.055 4.564 ( 0.000 0.000 -2.218) 2.218 4.614 ( 0.000 0.000 2.246) 2.246 4.665 ( 0.000 0.000 3.707) 3.707 4.785 ( 0.000 0.000 1.681) 1.681 4.840 ( 0.000 0.000 0.227) 0.227 4.877 ( 0.000 0.000 -13.816) 13.816 4.924 ( 0.000 0.000 -1.076) 1.076 4.976 ( 0.000 0.000 -0.769) 0.769 5.048 ( 0.000 0.000 -0.042) 0.042 5.266 ( 0.000 0.000 -10.631) 10.631 5.301 ( 0.000 0.000 -3.892) 3.892 5.312 ( 0.000 0.000 3.691) 3.691 5.385 ( 0.000 0.000 -7.756) 7.756 5.391 ( 0.000 0.000 -2.023) 2.023 5.584 ( 0.000 0.000 1.091) 1.091 5.635 ( 0.000 0.000 2.078) 2.078 5.678 ( 0.000 0.000 0.216) 0.216 5.714 ( 0.000 0.000 -0.706) 0.706 5.827 ( 0.000 0.000 7.413) 7.413 5.892 ( 0.000 0.000 2.626) 2.626 5.940 ( 0.000 0.000 -2.150) 2.150 5.947 ( 0.000 0.000 3.866) 3.866 6.048 ( 0.000 0.000 0.341) 0.341 6.173 ( 0.000 0.000 2.844) 2.844 6.307 ( 0.000 0.000 3.235) 3.235 6.794 ( 0.000 0.000 3.180) 3.180 6.813 ( 0.000 0.000 -1.775) 1.775 6.979 ( 0.000 0.000 3.107) 3.107 7.110 ( 0.000 0.000 -4.824) 4.824 7.265 ( 0.000 0.000 -3.163) 3.163 7.269 ( 0.000 0.000 -1.371) 1.371 7.352 ( 0.000 0.000 0.052) 0.052 7.356 ( 0.000 0.000 -1.045) 1.045 7.615 ( 0.000 0.000 0.562) 0.562 7.666 ( 0.000 0.000 -0.514) 0.514 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 7.932 0.000 11.912) 14.311 0.530 ( 13.661 0.000 10.670) 17.334 0.753 ( 12.708 0.000 21.667) 25.119 1.000 ( 5.693 0.000 6.743) 8.825 1.111 ( -2.228 0.000 8.703) 8.984 1.120 ( 0.246 0.000 4.084) 4.092 1.126 ( -2.166 0.000 0.101) 2.168 1.165 ( 5.586 0.000 6.920) 8.893 1.180 ( -4.013 0.000 4.549) 6.066 1.300 ( 0.500 0.000 -0.321) 0.594 1.346 ( -0.263 0.000 1.374) 1.399 1.358 ( 1.984 0.000 1.366) 2.409 1.380 ( 0.327 0.000 -5.235) 5.245 1.482 ( 1.008 0.000 -1.012) 1.428 1.497 ( 2.925 0.000 -5.227) 5.990 1.612 ( 3.339 0.000 -4.547) 5.641 1.646 ( -2.894 0.000 0.088) 2.895 1.707 ( 1.533 0.000 1.154) 1.918 1.735 ( 1.847 0.000 1.318) 2.268 1.822 ( 5.960 0.000 3.402) 6.863 1.847 ( 0.514 0.000 1.460) 1.547 1.898 ( -6.553 0.000 -7.410) 9.891 1.927 ( -2.298 0.000 3.137) 3.888 2.111 ( -4.396 0.000 -4.350) 6.185 2.133 ( -4.519 0.000 5.723) 7.292 2.148 ( 1.599 0.000 1.712) 2.343 2.175 ( -0.168 0.000 3.318) 3.323 2.278 ( -3.576 0.000 3.133) 4.754 2.283 ( -0.918 0.000 1.305) 1.596 2.371 ( -2.170 0.000 2.758) 3.509 2.415 ( 1.120 0.000 -2.910) 3.118 2.435 ( -1.728 0.000 3.408) 3.821 2.440 ( 1.736 0.000 -2.777) 3.275 2.568 ( 3.447 0.000 -8.521) 9.192 2.699 ( 1.236 0.000 4.278) 4.453 2.713 ( 1.931 0.000 -6.048) 6.349 2.783 ( 1.373 0.000 7.821) 7.941 2.799 ( -9.911 0.000 6.031) 11.601 2.925 ( 0.352 0.000 -3.027) 3.047 3.041 ( 1.841 0.000 -1.909) 2.652 3.093 ( 0.849 0.000 0.782) 1.154 3.146 ( -5.872 0.000 4.158) 7.195 3.209 ( -2.947 0.000 -2.060) 3.596 3.320 ( -1.217 0.000 0.663) 1.386 3.338 ( -7.058 0.000 4.582) 8.415 3.402 ( -5.098 0.000 -3.824) 6.373 3.579 ( 3.548 0.000 6.148) 7.098 3.638 ( -1.057 0.000 -0.312) 1.102 3.727 ( -1.481 0.000 -1.483) 2.095 3.746 ( 0.034 0.000 0.011) 0.036 3.761 ( -2.484 0.000 -6.208) 6.687 3.857 ( 1.418 0.000 0.759) 1.609 3.963 ( -4.970 0.000 1.195) 5.111 4.020 ( 5.418 0.000 2.016) 5.781 4.032 ( 0.105 0.000 -2.221) 2.224 4.138 ( 2.664 0.000 -0.119) 2.667 4.230 ( 2.095 0.000 -3.739) 4.286 4.310 ( -4.597 0.000 -6.852) 8.251 4.327 ( -1.170 0.000 3.169) 3.378 4.416 ( 0.221 0.000 1.095) 1.117 4.501 ( -1.829 0.000 0.421) 1.877 4.537 ( -0.372 0.000 4.580) 4.595 4.658 ( -0.639 0.000 2.616) 2.693 4.684 ( 2.452 0.000 -0.388) 2.482 4.779 ( -2.815 0.000 5.524) 6.200 4.814 ( 2.523 0.000 0.655) 2.606 4.912 ( 2.065 0.000 -9.668) 9.886 4.937 ( 1.185 0.000 0.640) 1.347 4.974 ( -0.169 0.000 -0.475) 0.504 5.060 ( 1.094 0.000 -1.522) 1.874 5.141 ( -7.973 0.000 8.095) 11.362 5.235 ( -5.018 0.000 1.133) 5.144 5.305 ( 0.210 0.000 -3.475) 3.482 5.328 ( 2.451 0.000 -8.883) 9.215 5.420 ( 1.824 0.000 -7.907) 8.115 5.593 ( -1.416 0.000 -3.378) 3.663 5.645 ( 1.164 0.000 2.985) 3.204 5.698 ( 2.143 0.000 0.255) 2.158 5.742 ( 2.033 0.000 2.604) 3.303 5.765 ( -1.947 0.000 1.378) 2.385 5.836 ( 1.052 0.000 8.046) 8.114 5.931 ( -1.681 0.000 4.687) 4.980 5.995 ( 0.151 0.000 -3.259) 3.262 6.055 ( 0.633 0.000 0.610) 0.879 6.170 ( -0.933 0.000 3.364) 3.491 6.252 ( -4.878 0.000 1.620) 5.139 6.430 ( -19.068 0.000 9.376) 21.249 6.594 ( -12.258 0.000 -1.782) 12.387 6.956 ( 5.593 0.000 3.927) 6.834 7.087 ( -1.533 0.000 0.601) 1.647 7.209 ( 0.606 0.000 -0.202) 0.639 7.260 ( 1.435 0.000 3.174) 3.484 7.408 ( 0.260 0.000 -1.265) 1.291 7.610 ( -0.567 0.000 1.001) 1.150 7.751 ( 7.209 0.000 -1.548) 7.373 7.887 ( 14.135 0.000 -19.890) 24.401 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 13.393 0.000 1.588) 13.487 0.811 ( 11.567 0.000 4.973) 12.591 0.987 ( 4.815 0.000 12.451) 13.349 1.011 ( -4.592 0.000 1.242) 4.757 1.077 ( 0.659 0.000 4.835) 4.880 1.102 ( -3.381 0.000 11.727) 12.205 1.107 ( 6.822 0.000 2.727) 7.347 1.161 ( 2.184 0.000 5.806) 6.203 1.302 ( 4.907 0.000 -4.012) 6.338 1.309 ( 0.545 0.000 -1.092) 1.221 1.343 ( 0.674 0.000 0.001) 0.674 1.356 ( -2.164 0.000 -1.267) 2.508 1.435 ( -1.072 0.000 1.655) 1.972 1.453 ( 1.689 0.000 -1.561) 2.300 1.600 ( 2.708 0.000 -7.878) 8.330 1.615 ( 1.919 0.000 -0.124) 1.923 1.650 ( -3.446 0.000 -5.652) 6.619 1.701 ( -1.429 0.000 -6.222) 6.384 1.736 ( -3.338 0.000 0.230) 3.346 1.796 ( 2.124 0.000 1.620) 2.671 1.868 ( -1.184 0.000 1.662) 2.040 1.890 ( 4.130 0.000 3.913) 5.689 1.997 ( 6.898 0.000 5.654) 8.919 1.998 ( -5.240 0.000 -1.744) 5.523 2.092 ( 1.682 0.000 12.456) 12.569 2.153 ( 0.914 0.000 1.100) 1.430 2.205 ( -2.468 0.000 2.247) 3.338 2.216 ( -1.544 0.000 8.878) 9.012 2.229 ( -2.383 0.000 -0.581) 2.453 2.308 ( -3.738 0.000 5.469) 6.624 2.398 ( 1.027 0.000 -0.007) 1.027 2.466 ( 0.663 0.000 -0.117) 0.673 2.483 ( 3.074 0.000 -2.501) 3.963 2.585 ( -5.411 0.000 -0.732) 5.460 2.648 ( -1.426 0.000 -4.246) 4.479 2.719 ( -7.151 0.000 7.424) 10.308 2.785 ( 6.068 0.000 3.738) 7.127 2.798 ( 5.243 0.000 -2.481) 5.801 2.944 ( 1.621 0.000 -1.808) 2.428 3.046 ( -1.383 0.000 -1.646) 2.150 3.072 ( -0.915 0.000 6.775) 6.837 3.081 ( -1.695 0.000 2.055) 2.664 3.154 ( -1.772 0.000 -4.106) 4.472 3.203 ( -5.556 0.000 4.252) 6.996 3.246 ( -5.290 0.000 0.672) 5.332 3.286 ( -5.621 0.000 -4.862) 7.432 3.609 ( -0.475 0.000 -3.442) 3.474 3.672 ( 1.302 0.000 -1.273) 1.821 3.687 ( -1.788 0.000 -4.201) 4.566 3.718 ( -3.427 0.000 -1.633) 3.796 3.750 ( 4.739 0.000 -1.110) 4.867 3.897 ( -0.678 0.000 4.618) 4.667 3.941 ( 5.671 0.000 -1.470) 5.859 4.033 ( -0.265 0.000 1.814) 1.833 4.044 ( -1.495 0.000 12.139) 12.231 4.188 ( -6.704 0.000 -6.572) 9.388 4.191 ( 2.281 0.000 1.123) 2.542 4.274 ( 2.169 0.000 -1.400) 2.582 4.341 ( 0.841 0.000 -3.735) 3.828 4.368 ( -4.603 0.000 0.580) 4.639 4.517 ( 2.389 0.000 2.110) 3.187 4.548 ( 1.828 0.000 1.778) 2.550 4.645 ( -0.038 0.000 1.454) 1.455 4.700 ( -0.324 0.000 -1.866) 1.894 4.773 ( 1.445 0.000 6.448) 6.608 4.853 ( 0.165 0.000 -0.057) 0.174 4.954 ( 1.764 0.000 -4.536) 4.867 4.962 ( 0.959 0.000 3.256) 3.394 4.977 ( 0.954 0.000 -1.749) 1.993 5.077 ( -0.419 0.000 -5.464) 5.480 5.082 ( 0.201 0.000 1.804) 1.815 5.139 ( -3.500 0.000 1.549) 3.828 5.329 ( 2.387 0.000 -3.789) 4.478 5.393 ( 2.804 0.000 -8.606) 9.052 5.454 ( 1.809 0.000 -10.156) 10.316 5.536 ( -3.399 0.000 -4.996) 6.043 5.684 ( 2.324 0.000 3.287) 4.026 5.759 ( -0.640 0.000 -0.982) 1.172 5.768 ( 4.298 0.000 -0.614) 4.342 5.800 ( 4.546 0.000 3.514) 5.746 5.885 ( 1.897 0.000 2.968) 3.523 5.885 ( -1.412 0.000 5.329) 5.513 5.975 ( -1.756 0.000 -2.924) 3.411 6.069 ( 0.067 0.000 0.949) 0.951 6.105 ( -6.827 0.000 5.307) 8.647 6.125 ( -6.641 0.000 -0.809) 6.690 6.168 ( -4.937 0.000 6.086) 7.836 6.326 ( -12.350 0.000 0.756) 12.373 7.025 ( 1.929 0.000 2.064) 2.825 7.063 ( -0.712 0.000 0.456) 0.846 7.286 ( 1.025 0.000 0.989) 1.424 7.306 ( 5.378 0.000 1.925) 5.712 7.385 ( -0.203 0.000 -0.594) 0.628 7.578 ( -2.904 0.000 1.990) 3.520 7.899 ( 6.185 0.000 -2.915) 6.838 8.017 ( 1.342 0.000 -10.214) 10.302 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -6.085 0.000 0.104) 6.085 0.858 ( 6.085 0.000 0.104) 6.085 0.996 ( -1.129 0.000 7.358) 7.444 0.996 ( 1.129 0.000 7.358) 7.444 1.070 ( -2.269 0.000 6.130) 6.537 1.070 ( 2.269 0.000 6.130) 6.537 1.241 ( -6.115 0.000 6.192) 8.703 1.241 ( 6.115 0.000 6.192) 8.703 1.319 ( -1.936 0.000 -2.900) 3.487 1.319 ( 1.936 0.000 -2.900) 3.487 1.361 ( -0.982 0.000 -0.832) 1.287 1.361 ( 0.982 0.000 -0.832) 1.287 1.387 ( -10.947 0.000 -3.726) 11.564 1.387 ( 10.947 0.000 -3.726) 11.564 1.598 ( -6.228 0.000 -5.806) 8.515 1.598 ( 6.228 0.000 -5.806) 8.515 1.680 ( -3.377 0.000 -0.345) 3.395 1.680 ( 3.377 0.000 -0.345) 3.395 1.780 ( -4.795 0.000 -5.644) 7.406 1.780 ( 4.795 0.000 -5.644) 7.406 1.869 ( -1.877 0.000 2.578) 3.189 1.869 ( 1.877 0.000 2.578) 3.189 2.055 ( -7.197 0.000 7.581) 10.453 2.055 ( 7.197 0.000 7.581) 10.453 2.123 ( -4.263 0.000 7.275) 8.431 2.123 ( 4.263 0.000 7.275) 8.431 2.177 ( -0.680 0.000 3.124) 3.198 2.177 ( 0.680 0.000 3.124) 3.198 2.245 ( -2.054 0.000 3.970) 4.470 2.245 ( 2.054 0.000 3.970) 4.470 2.442 ( -2.664 0.000 0.870) 2.803 2.442 ( 2.664 0.000 0.870) 2.803 2.541 ( -0.481 0.000 -0.433) 0.648 2.541 ( 0.481 0.000 -0.433) 0.648 2.599 ( -0.819 0.000 2.709) 2.830 2.599 ( 0.819 0.000 2.709) 2.830 2.884 ( -0.094 0.000 0.613) 0.620 2.884 ( 0.094 0.000 0.613) 0.620 2.989 ( -2.926 0.000 -3.197) 4.334 2.989 ( 2.926 0.000 -3.197) 4.334 3.061 ( -0.418 0.000 1.337) 1.401 3.061 ( 0.418 0.000 1.337) 1.401 3.130 ( -0.031 0.000 4.455) 4.455 3.130 ( 0.031 0.000 4.455) 4.455 3.197 ( -2.390 0.000 -2.091) 3.176 3.197 ( 2.390 0.000 -2.091) 3.176 3.632 ( -2.612 0.000 -5.259) 5.872 3.632 ( 2.612 0.000 -5.259) 5.872 3.679 ( -0.497 0.000 -3.442) 3.478 3.679 ( 0.497 0.000 -3.442) 3.478 3.869 ( -3.874 0.000 3.616) 5.299 3.869 ( 3.874 0.000 3.616) 5.299 4.020 ( -0.635 0.000 7.913) 7.939 4.020 ( 0.635 0.000 7.913) 7.939 4.062 ( -5.044 0.000 -3.893) 6.371 4.062 ( 5.044 0.000 -3.893) 6.371 4.256 ( -4.455 0.000 2.003) 4.885 4.256 ( 4.455 0.000 2.003) 4.885 4.324 ( -1.803 0.000 -2.154) 2.809 4.324 ( 1.803 0.000 -2.154) 2.809 4.562 ( -1.279 0.000 2.176) 2.524 4.562 ( 1.279 0.000 2.176) 2.524 4.676 ( -2.088 0.000 -2.260) 3.076 4.676 ( 2.088 0.000 -2.260) 3.076 4.818 ( -2.702 0.000 2.423) 3.630 4.818 ( 2.702 0.000 2.423) 3.630 4.970 ( -0.126 0.000 2.999) 3.002 4.970 ( 0.126 0.000 2.999) 3.002 5.026 ( -3.210 0.000 -5.853) 6.675 5.026 ( 3.210 0.000 -5.853) 6.675 5.101 ( -1.198 0.000 -0.039) 1.198 5.101 ( 1.198 0.000 -0.039) 1.198 5.394 ( -2.980 0.000 -4.795) 5.646 5.394 ( 2.980 0.000 -4.795) 5.646 5.489 ( -1.173 0.000 -9.813) 9.883 5.489 ( 1.173 0.000 -9.813) 9.883 5.728 ( -1.891 0.000 2.222) 2.918 5.728 ( 1.891 0.000 2.222) 2.918 5.852 ( -3.799 0.000 0.902) 3.904 5.852 ( 3.799 0.000 0.902) 3.904 5.901 ( -3.713 0.000 1.143) 3.885 5.901 ( 3.713 0.000 1.143) 3.885 5.943 ( -8.164 0.000 -2.224) 8.462 5.943 ( 8.164 0.000 -2.224) 8.462 6.097 ( -1.673 0.000 3.610) 3.979 6.097 ( 1.673 0.000 3.610) 3.979 6.131 ( -3.708 0.000 5.175) 6.366 6.131 ( 3.708 0.000 5.175) 6.366 7.052 ( -0.703 0.000 0.614) 0.934 7.052 ( 0.703 0.000 0.614) 0.934 7.310 ( -1.512 0.000 -0.230) 1.529 7.310 ( 1.512 0.000 -0.230) 1.529 7.485 ( -5.998 0.000 2.667) 6.564 7.485 ( 5.998 0.000 2.667) 6.564 7.995 ( -3.052 0.000 -5.174) 6.007 7.995 ( 3.052 0.000 -5.174) 6.007 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 10.181 8.563) 13.303 0.519 ( 0.000 12.608 10.766) 16.579 0.802 ( 0.000 13.814 17.237) 22.090 0.957 ( 0.000 -6.171 8.206) 10.267 1.031 ( 0.000 2.037 4.272) 4.733 1.091 ( 0.000 -10.599 2.823) 10.969 1.166 ( 0.000 4.431 5.947) 7.416 1.181 ( 0.000 1.158 3.395) 3.587 1.209 ( 0.000 5.040 2.769) 5.750 1.241 ( 0.000 -3.934 1.455) 4.195 1.269 ( 0.000 -2.717 -2.223) 3.511 1.345 ( 0.000 3.244 0.594) 3.298 1.434 ( 0.000 3.440 -0.993) 3.581 1.480 ( 0.000 3.997 -1.993) 4.467 1.518 ( 0.000 -1.021 0.667) 1.220 1.570 ( 0.000 -2.216 0.263) 2.232 1.663 ( 0.000 1.635 0.737) 1.793 1.759 ( 0.000 0.644 0.640) 0.908 1.781 ( 0.000 -0.658 0.711) 0.969 1.804 ( 0.000 7.767 -1.824) 7.979 1.870 ( 0.000 2.498 -0.944) 2.670 1.930 ( 0.000 -4.688 -5.303) 7.078 2.011 ( 0.000 2.914 4.470) 5.336 2.056 ( 0.000 -3.431 4.235) 5.451 2.073 ( 0.000 -7.860 4.545) 9.080 2.168 ( 0.000 -0.857 -1.873) 2.060 2.180 ( 0.000 -1.106 2.226) 2.486 2.258 ( 0.000 -1.629 0.868) 1.846 2.311 ( 0.000 -3.594 -0.836) 3.690 2.327 ( 0.000 2.074 -1.643) 2.645 2.360 ( 0.000 -0.300 -3.008) 3.023 2.404 ( 0.000 -0.480 -4.883) 4.907 2.409 ( 0.000 -5.120 3.734) 6.337 2.467 ( 0.000 -3.211 -1.776) 3.670 2.483 ( 0.000 -8.151 10.142) 13.012 2.713 ( 0.000 -1.983 9.300) 9.509 2.787 ( 0.000 -0.878 1.931) 2.121 2.880 ( 0.000 -11.254 -0.158) 11.255 2.924 ( 0.000 3.325 -5.070) 6.063 3.037 ( 0.000 1.434 -3.246) 3.549 3.087 ( 0.000 4.580 -0.036) 4.581 3.262 ( 0.000 6.609 1.415) 6.759 3.263 ( 0.000 -2.655 2.658) 3.757 3.337 ( 0.000 -0.782 0.337) 0.851 3.370 ( 0.000 8.077 4.710) 9.350 3.553 ( 0.000 -2.760 -2.864) 3.978 3.560 ( 0.000 -3.430 1.049) 3.587 3.664 ( 0.000 -2.769 -7.920) 8.390 3.753 ( 0.000 9.620 -11.053) 14.653 3.782 ( 0.000 -3.307 -2.208) 3.976 3.874 ( 0.000 0.481 0.642) 0.802 3.892 ( 0.000 3.684 0.792) 3.768 3.901 ( 0.000 2.613 -2.237) 3.440 3.994 ( 0.000 -1.926 -0.459) 1.980 4.077 ( 0.000 -4.029 -7.540) 8.549 4.132 ( 0.000 3.967 2.632) 4.761 4.137 ( 0.000 2.465 -0.564) 2.529 4.320 ( 0.000 -3.010 -5.076) 5.901 4.366 ( 0.000 -2.936 3.183) 4.331 4.420 ( 0.000 4.583 4.728) 6.584 4.505 ( 0.000 3.731 3.503) 5.117 4.599 ( 0.000 -2.000 1.457) 2.474 4.624 ( 0.000 2.622 3.709) 4.542 4.685 ( 0.000 -13.080 -8.487) 15.592 4.727 ( 0.000 -4.978 2.484) 5.563 4.812 ( 0.000 -7.010 7.018) 9.920 4.820 ( 0.000 9.744 -2.179) 9.985 4.888 ( 0.000 4.046 1.211) 4.223 5.008 ( 0.000 0.757 -0.646) 0.996 5.089 ( 0.000 -0.710 -4.108) 4.169 5.263 ( 0.000 -0.226 -11.656) 11.659 5.283 ( 0.000 -3.800 5.418) 6.618 5.310 ( 0.000 -0.374 4.577) 4.593 5.327 ( 0.000 -0.977 -8.456) 8.512 5.376 ( 0.000 2.894 -2.714) 3.968 5.559 ( 0.000 -2.315 0.376) 2.345 5.645 ( 0.000 0.694 2.552) 2.645 5.651 ( 0.000 -0.787 -1.506) 1.699 5.691 ( 0.000 -1.603 -0.168) 1.612 5.769 ( 0.000 -3.983 6.411) 7.548 5.925 ( 0.000 2.534 1.029) 2.735 5.952 ( 0.000 0.986 -4.317) 4.428 6.029 ( 0.000 5.366 2.884) 6.092 6.060 ( 0.000 1.423 0.796) 1.630 6.204 ( 0.000 0.358 3.299) 3.319 6.273 ( 0.000 -3.157 3.179) 4.480 6.581 ( 0.000 -5.363 10.102) 11.437 6.734 ( 0.000 -5.882 -0.401) 5.896 7.014 ( 0.000 1.872 1.699) 2.528 7.067 ( 0.000 -1.990 -2.678) 3.336 7.274 ( 0.000 1.829 1.272) 2.228 7.277 ( 0.000 1.143 -1.526) 1.906 7.382 ( 0.000 2.247 -1.374) 2.633 7.493 ( 0.000 1.006 -3.826) 3.956 7.607 ( 0.000 0.692 -1.245) 1.425 7.655 ( 0.000 -0.908 -1.062) 1.397 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 2.027 3.694 14.808) 15.396 0.562 ( 8.768 8.343 6.521) 13.748 0.887 ( -0.615 -2.979 7.389) 7.991 0.958 ( -2.579 -2.593 6.154) 7.159 1.000 ( 3.475 -5.095 8.364) 10.391 1.074 ( 2.394 1.755 4.717) 5.573 1.158 ( -1.052 -1.249 3.220) 3.611 1.222 ( 3.117 4.572 4.646) 7.225 1.247 ( 2.051 4.740 1.488) 5.375 1.260 ( 2.320 0.918 2.107) 3.266 1.351 ( 0.998 2.645 0.010) 2.826 1.364 ( 5.765 0.625 -0.599) 5.829 1.436 ( -0.469 2.463 0.030) 2.508 1.495 ( 0.649 3.160 -2.813) 4.280 1.546 ( 3.104 -0.421 -1.201) 3.355 1.601 ( 1.292 -1.180 -2.602) 3.135 1.689 ( 1.935 4.022 0.415) 4.483 1.714 ( -1.962 -2.324 -0.996) 3.201 1.778 ( 0.037 -0.355 0.570) 0.672 1.837 ( 1.477 4.006 0.312) 4.281 1.860 ( -5.086 -1.340 -1.811) 5.563 1.889 ( 2.622 1.754 1.641) 3.556 1.962 ( -3.359 2.092 4.961) 6.346 2.044 ( -1.008 -2.987 -0.158) 3.156 2.072 ( 0.111 -4.258 6.425) 7.709 2.153 ( -0.861 0.630 -0.098) 1.072 2.174 ( -0.803 -1.051 2.653) 2.965 2.254 ( -1.083 -0.612 2.990) 3.238 2.293 ( -2.388 -1.110 1.135) 2.867 2.299 ( -0.794 -2.614 0.974) 2.900 2.374 ( 1.753 -3.243 -0.874) 3.788 2.392 ( 0.961 -2.296 -0.326) 2.511 2.420 ( -1.290 0.109 1.504) 1.984 2.478 ( 2.903 -4.403 -5.388) 7.539 2.589 ( 7.704 -5.180 2.621) 9.646 2.758 ( 2.062 -1.320 6.834) 7.259 2.763 ( -1.507 -0.405 5.229) 5.457 2.833 ( -3.834 -4.640 -2.630) 6.569 2.929 ( 0.452 -0.437 -1.801) 1.908 3.017 ( -0.817 3.946 -3.763) 5.513 3.106 ( 0.707 1.257 -0.309) 1.475 3.198 ( -3.427 4.410 3.285) 6.480 3.276 ( -5.214 3.909 6.580) 9.261 3.305 ( -0.403 0.904 -1.171) 1.533 3.341 ( -2.846 -1.552 -2.540) 4.118 3.455 ( -8.270 0.927 -3.119) 8.887 3.507 ( -1.554 -1.651 1.763) 2.872 3.641 ( -2.718 0.738 -3.833) 4.757 3.737 ( -0.532 4.117 -8.939) 9.856 3.767 ( -3.130 -2.724 -1.796) 4.521 3.841 ( 1.011 -0.049 -1.658) 1.942 3.891 ( -1.362 -2.746 4.204) 5.203 3.930 ( -2.015 2.865 -1.813) 3.944 4.006 ( 1.564 -0.687 1.334) 2.167 4.064 ( 2.074 0.945 -3.837) 4.463 4.144 ( 0.687 0.333 0.245) 0.802 4.179 ( 2.793 2.351 -1.172) 3.834 4.291 ( -2.904 -1.076 -2.458) 3.954 4.359 ( -1.278 -2.805 -0.329) 3.100 4.391 ( -0.656 4.239 3.807) 5.735 4.509 ( 0.819 2.422 2.908) 3.872 4.587 ( -1.343 1.134 1.619) 2.390 4.638 ( 0.275 -1.630 3.327) 3.715 4.710 ( 1.987 -8.963 -4.704) 10.316 4.743 ( 1.078 -3.743 2.373) 4.561 4.801 ( 0.674 -5.142 4.183) 6.663 4.813 ( -0.437 7.928 -2.730) 8.397 4.926 ( 2.349 1.847 1.733) 3.454 5.004 ( -0.387 0.606 1.083) 1.300 5.078 ( -0.845 -0.435 -3.875) 3.989 5.173 ( -4.166 1.622 4.151) 6.101 5.253 ( -2.998 0.538 1.781) 3.528 5.324 ( 2.621 0.439 -8.910) 9.298 5.344 ( 0.916 1.642 -8.015) 8.232 5.404 ( 1.915 0.366 -4.872) 5.248 5.560 ( -0.591 -3.018 -2.296) 3.838 5.650 ( 0.913 0.469 3.648) 3.789 5.664 ( 1.703 -0.399 -0.526) 1.827 5.720 ( 1.845 -1.666 1.624) 2.969 5.785 ( 1.863 -3.346 4.846) 6.177 5.837 ( -2.886 4.455 0.886) 5.381 5.979 ( -1.068 -1.208 -2.777) 3.212 6.017 ( -0.814 5.583 3.143) 6.458 6.072 ( 0.653 1.591 1.535) 2.305 6.184 ( -1.767 -0.582 3.673) 4.118 6.229 ( -4.015 -1.586 2.080) 4.791 6.399 ( -13.736 -0.457 7.620) 15.715 6.564 ( -12.919 -3.451 -0.676) 13.389 6.954 ( 2.311 0.685 2.186) 3.254 7.057 ( -1.724 -2.678 0.725) 3.267 7.247 ( 1.233 2.776 0.909) 3.171 7.281 ( 0.605 1.314 0.960) 1.736 7.430 ( 0.250 2.224 -1.307) 2.592 7.582 ( -0.577 -2.834 0.193) 2.898 7.750 ( 8.180 0.101 -1.930) 8.405 7.824 ( 14.142 -3.895 -11.021) 18.347 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 15.123 -3.521 4.408) 16.142 0.772 ( 8.261 1.259 5.319) 9.906 0.799 ( 1.244 -9.869 5.463) 11.349 1.021 ( 2.252 -2.271 3.469) 4.719 1.050 ( 0.169 -3.183 8.781) 9.342 1.099 ( -0.188 -1.905 4.526) 4.914 1.133 ( -1.740 3.510 7.482) 8.446 1.250 ( 0.536 4.700 -0.367) 4.745 1.272 ( 1.801 -2.091 -0.387) 2.787 1.331 ( 1.202 3.122 -0.615) 3.401 1.372 ( -1.652 1.132 -1.817) 2.705 1.384 ( -2.741 1.530 -2.155) 3.808 1.424 ( -1.255 0.612 0.657) 1.543 1.514 ( 3.912 4.638 -0.321) 6.076 1.595 ( -3.918 -1.143 -4.823) 6.318 1.629 ( 1.630 -1.659 -3.328) 4.060 1.656 ( 2.122 1.498 -5.078) 5.703 1.743 ( 2.293 5.926 -0.295) 6.361 1.788 ( -1.422 2.264 -0.650) 2.752 1.827 ( 2.523 2.481 0.346) 3.556 1.851 ( 1.420 -0.323 2.957) 3.296 1.916 ( -0.124 1.782 5.015) 5.324 1.963 ( 0.412 -1.619 -1.461) 2.219 2.017 ( -0.589 -3.817 6.322) 7.408 2.097 ( 2.864 -0.369 5.207) 5.954 2.144 ( -0.172 1.100 -1.084) 1.554 2.153 ( -0.179 2.540 5.075) 5.678 2.237 ( -0.432 -0.976 2.854) 3.047 2.241 ( -1.349 -0.418 7.029) 7.169 2.290 ( -0.792 -1.987 2.913) 3.614 2.393 ( 1.248 -1.401 -0.235) 1.891 2.413 ( 0.513 -0.666 1.993) 2.163 2.463 ( 3.921 -1.468 -2.080) 4.675 2.547 ( 2.631 -4.106 -5.252) 7.167 2.649 ( -4.611 2.112 2.329) 5.580 2.718 ( -3.569 -2.107 6.178) 7.439 2.777 ( 4.962 -0.874 2.835) 5.781 2.840 ( 3.662 2.354 0.016) 4.353 2.947 ( 1.675 -2.566 0.553) 3.113 3.004 ( -1.263 0.485 -4.063) 4.283 3.092 ( -2.341 2.777 2.923) 4.662 3.131 ( -2.397 0.875 1.510) 2.965 3.149 ( -5.751 2.065 3.719) 7.154 3.231 ( -5.985 0.620 1.497) 6.201 3.252 ( -4.214 1.072 -3.099) 5.339 3.303 ( -5.857 1.588 -4.715) 7.684 3.535 ( 2.474 -5.296 2.354) 6.301 3.578 ( -2.408 -2.050 -3.226) 4.517 3.694 ( -1.130 -2.969 -1.059) 3.349 3.759 ( 1.182 3.377 -4.964) 6.119 3.823 ( -3.844 -7.033 4.179) 9.039 3.853 ( -2.911 5.340 -0.592) 6.111 3.913 ( 3.452 -0.685 -4.448) 5.672 4.026 ( 0.326 1.060 5.458) 5.570 4.085 ( -1.136 -0.307 6.869) 6.969 4.144 ( -1.901 -3.153 -4.200) 5.585 4.246 ( -0.032 2.397 -0.352) 2.423 4.273 ( 6.052 3.424 -4.612) 8.343 4.314 ( -2.378 0.560 -0.463) 2.486 4.410 ( 1.314 2.151 -1.096) 2.749 4.530 ( 0.017 -0.176 1.018) 1.033 4.554 ( -0.857 0.111 1.343) 1.597 4.639 ( 0.539 -0.866 1.340) 1.684 4.727 ( -1.520 -0.018 -0.345) 1.559 4.764 ( 1.717 -1.155 4.371) 4.836 4.809 ( -0.116 1.181 1.077) 1.602 4.860 ( 4.334 -7.128 -7.524) 11.234 4.958 ( 0.985 0.084 4.736) 4.838 4.990 ( -1.032 -0.879 3.865) 4.096 5.053 ( -2.246 -2.527 -5.884) 6.786 5.146 ( 0.892 5.636 1.404) 5.877 5.203 ( -1.599 5.045 -0.270) 5.299 5.371 ( 2.111 2.687 -5.771) 6.707 5.389 ( 2.811 -0.734 -9.745) 10.169 5.445 ( 1.795 -0.419 -7.750) 7.966 5.525 ( -2.457 -1.497 -5.062) 5.822 5.689 ( 2.385 -0.248 4.545) 5.138 5.713 ( 1.301 -1.380 2.826) 3.404 5.751 ( 3.223 -0.499 0.931) 3.392 5.828 ( 3.215 1.196 0.177) 3.435 5.875 ( 4.897 -0.982 1.693) 5.273 5.933 ( -2.750 0.038 -1.926) 3.357 5.978 ( -2.845 3.402 2.303) 4.998 6.083 ( -0.345 0.894 1.663) 1.919 6.112 ( -6.146 -0.362 0.607) 6.186 6.136 ( -8.755 2.132 4.615) 10.123 6.148 ( -3.338 -1.608 6.034) 7.081 6.297 ( -12.086 -2.739 1.016) 12.434 7.010 ( 2.207 -0.889 1.535) 2.832 7.042 ( -0.035 -1.672 0.436) 1.728 7.282 ( 1.243 0.619 0.214) 1.405 7.344 ( 5.720 0.688 2.040) 6.111 7.390 ( -3.203 1.996 -1.232) 3.970 7.549 ( -2.749 -2.685 1.483) 4.119 7.911 ( 6.310 1.149 -3.008) 7.084 7.992 ( 3.257 -2.052 -7.724) 8.630 ======================= Grid point 45 (20/48) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -3.660 -0.784 2.081) 4.283 0.847 ( 3.660 -0.784 2.081) 4.283 0.938 ( -9.123 -4.228 0.282) 10.059 0.938 ( 9.123 -4.228 0.282) 10.059 1.061 ( -4.317 0.277 9.290) 10.248 1.061 ( 4.317 0.277 9.290) 10.248 1.185 ( -8.181 -4.336 6.979) 11.595 1.185 ( 8.181 -4.336 6.979) 11.595 1.301 ( -2.813 -0.551 -3.000) 4.149 1.301 ( 2.813 -0.551 -3.000) 4.149 1.343 ( -2.283 -1.542 -4.766) 5.505 1.343 ( 2.283 -1.542 -4.766) 5.505 1.468 ( -4.524 5.330 -2.233) 7.340 1.468 ( 4.524 5.330 -2.233) 7.340 1.619 ( -3.239 0.794 -2.054) 3.917 1.619 ( 3.239 0.794 -2.054) 3.917 1.731 ( -3.020 3.733 -1.273) 4.968 1.731 ( 3.020 3.733 -1.273) 4.968 1.814 ( -2.870 3.602 -2.289) 5.144 1.814 ( 2.870 3.602 -2.289) 5.144 1.904 ( -2.400 2.407 0.433) 3.426 1.904 ( 2.400 2.407 0.433) 3.426 1.972 ( -4.141 -4.944 6.260) 8.988 1.972 ( 4.141 -4.944 6.260) 8.988 2.145 ( -0.709 -0.320 1.301) 1.515 2.145 ( 0.709 -0.320 1.301) 1.515 2.210 ( -3.108 3.310 5.219) 6.917 2.210 ( 3.108 3.310 5.219) 6.917 2.249 ( -2.113 -1.890 6.197) 6.815 2.249 ( 2.113 -1.890 6.197) 6.815 2.416 ( -0.856 -1.090 1.795) 2.268 2.416 ( 0.856 -1.090 1.795) 2.268 2.545 ( -3.228 0.244 -4.105) 5.228 2.545 ( 3.228 0.244 -4.105) 5.228 2.615 ( -3.516 1.897 6.038) 7.240 2.615 ( 3.516 1.897 6.038) 7.240 2.894 ( -2.680 1.167 0.043) 2.924 2.894 ( 2.680 1.167 0.043) 2.924 2.970 ( -1.084 -1.872 -1.916) 2.890 2.970 ( 1.084 -1.872 -1.916) 2.890 3.054 ( -2.272 -2.588 4.583) 5.733 3.054 ( 2.272 -2.588 4.583) 5.733 3.132 ( -2.503 2.983 0.727) 3.961 3.132 ( 2.503 2.983 0.727) 3.961 3.222 ( -1.623 1.760 -2.897) 3.759 3.222 ( 1.623 1.760 -2.897) 3.759 3.555 ( -0.268 -3.725 -2.520) 4.505 3.555 ( 0.268 -3.725 -2.520) 4.505 3.735 ( -3.779 -9.038 5.112) 11.050 3.735 ( 3.779 -9.038 5.112) 11.050 3.796 ( -1.871 6.554 -3.566) 7.693 3.796 ( 1.871 6.554 -3.566) 7.693 4.001 ( -3.634 -0.466 -0.978) 3.792 4.001 ( 3.634 -0.466 -0.978) 3.792 4.083 ( -2.519 -1.350 3.214) 4.301 4.083 ( 2.519 -1.350 3.214) 4.301 4.270 ( -1.732 2.166 0.324) 2.792 4.270 ( 1.732 2.166 0.324) 2.792 4.387 ( -4.022 3.787 -3.356) 6.463 4.387 ( 4.022 3.787 -3.356) 6.463 4.536 ( -1.340 -1.965 0.353) 2.405 4.536 ( 1.340 -1.965 0.353) 2.405 4.677 ( -2.718 0.667 -0.829) 2.919 4.677 ( 2.718 0.667 -0.829) 2.919 4.796 ( -1.187 -0.721 3.316) 3.595 4.796 ( 1.187 -0.721 3.316) 3.595 4.946 ( -3.094 -3.237 -1.851) 4.846 4.946 ( 3.094 -3.237 -1.851) 4.846 4.995 ( -2.463 -2.963 -0.743) 3.924 4.995 ( 2.463 -2.963 -0.743) 3.924 5.174 ( -1.436 7.138 -0.009) 7.281 5.174 ( 1.436 7.138 -0.009) 7.281 5.414 ( -1.281 0.930 -6.810) 6.992 5.414 ( 1.281 0.930 -6.810) 6.992 5.477 ( -1.920 -1.031 -7.798) 8.097 5.477 ( 1.920 -1.031 -7.798) 8.097 5.719 ( -0.308 -1.956 4.622) 5.028 5.719 ( 0.308 -1.956 4.622) 5.028 5.855 ( -5.145 2.057 -2.324) 6.008 5.855 ( 5.145 2.057 -2.324) 6.008 5.929 ( -1.075 1.556 2.477) 3.116 5.929 ( 1.075 1.556 2.477) 3.116 5.950 ( -7.332 0.745 -1.701) 7.564 5.950 ( 7.332 0.745 -1.702) 7.564 6.082 ( -5.509 -1.992 4.710) 7.516 6.082 ( 5.509 -1.992 4.710) 7.516 6.119 ( -2.640 -0.476 4.305) 5.072 6.119 ( 2.640 -0.476 4.305) 5.072 7.038 ( -0.609 -0.976 0.478) 1.246 7.038 ( 0.609 -0.976 0.478) 1.246 7.323 ( -2.838 1.137 -0.959) 3.204 7.323 ( 2.838 1.137 -0.959) 3.204 7.465 ( -5.299 -1.641 2.549) 6.105 7.465 ( 5.299 -1.641 2.549) 6.105 7.999 ( -2.164 0.262 -4.540) 5.036 7.999 ( 2.164 0.262 -4.540) 5.036 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 -14.483 1.047) 14.520 0.694 ( 0.000 14.483 1.047) 14.520 0.800 ( 0.000 -12.485 2.734) 12.781 0.800 ( 0.000 12.485 2.734) 12.781 1.065 ( 0.000 -6.106 4.822) 7.780 1.065 ( 0.000 6.106 4.822) 7.780 1.155 ( 0.000 -2.007 5.602) 5.951 1.155 ( 0.000 2.007 5.602) 5.951 1.254 ( 0.000 -1.426 1.342) 1.959 1.254 ( 0.000 1.426 1.342) 1.959 1.392 ( 0.000 -7.232 4.500) 8.518 1.392 ( 0.000 7.232 4.500) 8.518 1.439 ( 0.000 -1.493 1.518) 2.130 1.439 ( 0.000 1.493 1.518) 2.130 1.543 ( 0.000 -3.265 1.071) 3.436 1.543 ( 0.000 3.265 1.071) 3.436 1.725 ( 0.000 -2.063 1.456) 2.525 1.725 ( 0.000 2.063 1.456) 2.525 1.769 ( 0.000 -7.217 -1.785) 7.434 1.769 ( 0.000 7.217 -1.785) 7.434 1.916 ( 0.000 -1.298 0.218) 1.316 1.916 ( 0.000 1.298 0.218) 1.316 1.998 ( 0.000 -2.705 1.431) 3.060 1.998 ( 0.000 2.705 1.431) 3.060 2.130 ( 0.000 -3.007 -0.739) 3.097 2.130 ( 0.000 3.007 -0.739) 3.097 2.217 ( 0.000 -6.394 -0.857) 6.452 2.217 ( 0.000 6.394 -0.857) 6.452 2.297 ( 0.000 -0.355 2.846) 2.868 2.297 ( 0.000 0.355 2.846) 2.868 2.318 ( 0.000 -1.077 5.102) 5.214 2.318 ( 0.000 1.077 5.102) 5.214 2.405 ( 0.000 -1.208 -4.620) 4.776 2.405 ( 0.000 1.208 -4.620) 4.776 2.588 ( 0.000 -10.944 3.544) 11.504 2.588 ( 0.000 10.944 3.544) 11.504 2.742 ( 0.000 -1.020 8.045) 8.109 2.742 ( 0.000 1.020 8.045) 8.109 3.019 ( 0.000 -3.671 -6.805) 7.732 3.019 ( 0.000 3.671 -6.805) 7.732 3.180 ( 0.000 -4.352 -0.300) 4.362 3.180 ( 0.000 4.352 -0.300) 4.362 3.328 ( 0.000 -0.974 -0.086) 0.978 3.328 ( 0.000 0.974 -0.086) 0.978 3.507 ( 0.000 -0.066 -1.051) 1.053 3.507 ( 0.000 0.066 -1.051) 1.053 3.643 ( 0.000 -9.330 -0.733) 9.359 3.643 ( 0.000 9.330 -0.733) 9.359 3.731 ( 0.000 -3.280 -3.285) 4.642 3.731 ( 0.000 3.280 -3.285) 4.642 3.870 ( 0.000 -2.447 -4.496) 5.119 3.870 ( 0.000 2.447 -4.496) 5.119 3.927 ( 0.000 -3.866 -4.828) 6.185 3.927 ( 0.000 3.866 -4.828) 6.185 4.169 ( 0.000 -0.447 5.807) 5.824 4.169 ( 0.000 0.447 5.807) 5.824 4.250 ( 0.000 -6.007 -5.737) 8.307 4.250 ( 0.000 6.007 -5.737) 8.307 4.393 ( 0.000 -9.898 -3.740) 10.581 4.393 ( 0.000 9.898 -3.740) 10.581 4.535 ( 0.000 -5.146 6.861) 8.577 4.535 ( 0.000 5.146 6.861) 8.577 4.610 ( 0.000 -5.571 0.093) 5.572 4.610 ( 0.000 5.571 0.093) 5.572 4.696 ( 0.000 -4.251 6.637) 7.881 4.696 ( 0.000 4.251 6.637) 7.881 4.975 ( 0.000 -3.679 0.909) 3.790 4.975 ( 0.000 3.679 0.909) 3.790 5.003 ( 0.000 -6.886 -3.615) 7.777 5.003 ( 0.000 6.886 -3.615) 7.777 5.264 ( 0.000 -0.094 -6.613) 6.614 5.264 ( 0.000 0.094 -6.613) 6.614 5.295 ( 0.000 -0.177 0.635) 0.660 5.295 ( 0.000 0.177 0.635) 0.660 5.483 ( 0.000 -4.981 -2.643) 5.639 5.483 ( 0.000 4.981 -2.643) 5.639 5.644 ( 0.000 -0.204 2.188) 2.198 5.644 ( 0.000 0.204 2.188) 2.198 5.698 ( 0.000 -2.350 2.499) 3.430 5.698 ( 0.000 2.350 2.499) 3.430 5.961 ( 0.000 -0.448 -2.497) 2.537 5.961 ( 0.000 0.448 -2.497) 2.537 6.105 ( 0.000 -0.937 0.390) 1.015 6.105 ( 0.000 0.937 0.390) 1.015 6.195 ( 0.000 -2.469 5.476) 6.007 6.195 ( 0.000 2.469 5.476) 6.007 6.609 ( 0.000 -5.212 2.711) 5.875 6.609 ( 0.000 5.212 2.711) 5.875 7.039 ( 0.000 -0.831 -0.283) 0.878 7.039 ( 0.000 0.831 -0.283) 0.878 7.297 ( 0.000 -0.083 0.485) 0.492 7.297 ( 0.000 0.083 0.485) 0.492 7.444 ( 0.000 -3.489 -1.396) 3.758 7.444 ( 0.000 3.489 -1.396) 3.758 7.633 ( 0.000 -1.156 -1.988) 2.300 7.633 ( 0.000 1.156 -1.988) 2.300 ======================= Grid point 51 (22/48) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -7.803 -13.709 7.576) 17.499 0.623 ( -7.803 13.709 7.576) 17.499 0.784 ( 4.203 -11.307 2.646) 12.350 0.784 ( 4.203 11.307 2.646) 12.350 1.060 ( -0.471 -4.191 2.315) 4.812 1.060 ( -0.471 4.191 2.315) 4.812 1.184 ( 1.765 -3.601 4.994) 6.405 1.184 ( 1.765 3.601 4.994) 6.405 1.354 ( 5.585 -1.432 0.796) 5.820 1.354 ( 5.585 1.432 0.796) 5.820 1.422 ( 1.469 -5.338 2.515) 6.081 1.422 ( 1.469 5.338 2.515) 6.081 1.442 ( 1.345 -5.747 1.905) 6.202 1.442 ( 1.345 5.747 1.905) 6.202 1.564 ( 1.788 -1.917 0.636) 2.697 1.564 ( 1.788 1.917 0.636) 2.697 1.689 ( -2.075 -2.129 -1.087) 3.166 1.689 ( -2.075 2.129 -1.087) 3.166 1.811 ( 3.199 -5.871 -1.369) 6.825 1.811 ( 3.199 5.871 -1.369) 6.825 1.894 ( -1.088 -1.094 1.264) 1.994 1.894 ( -1.088 1.094 1.264) 1.994 2.003 ( -0.489 -2.238 1.918) 2.988 2.003 ( -0.489 2.238 1.918) 2.988 2.107 ( -1.663 -4.251 -0.438) 4.586 2.107 ( -1.663 4.251 -0.438) 4.586 2.192 ( -0.926 -4.601 -1.047) 4.808 2.192 ( -0.926 4.601 -1.047) 4.808 2.276 ( -0.759 -2.237 4.147) 4.772 2.276 ( -0.759 2.237 4.147) 4.772 2.344 ( 1.471 -2.337 3.040) 4.107 2.344 ( 1.471 2.337 3.040) 4.107 2.453 ( 3.091 -3.169 -2.308) 4.993 2.453 ( 3.091 3.169 -2.308) 4.993 2.612 ( 2.625 -10.307 2.840) 11.008 2.612 ( 2.625 10.307 2.840) 11.008 2.746 ( 0.421 -0.482 7.731) 7.757 2.746 ( 0.421 0.482 7.731) 7.757 3.006 ( -1.198 -3.679 -6.309) 7.400 3.006 ( -1.198 3.679 -6.309) 7.400 3.189 ( 0.745 -5.005 0.656) 5.103 3.189 ( 0.745 5.005 0.656) 5.103 3.289 ( -4.092 -2.687 1.281) 5.060 3.289 ( -4.092 2.687 1.281) 5.060 3.434 ( -6.661 -2.713 -3.348) 7.933 3.434 ( -6.661 2.713 -3.348) 7.933 3.603 ( -3.044 -8.977 0.650) 9.502 3.603 ( -3.044 8.977 0.650) 9.502 3.726 ( -2.148 -3.623 -1.644) 4.522 3.726 ( -2.148 3.623 -1.644) 4.522 3.820 ( -0.301 -2.092 -5.350) 5.752 3.820 ( -0.301 2.092 -5.350) 5.752 3.964 ( 1.430 -1.597 -3.966) 4.508 3.964 ( 1.430 1.597 -3.966) 4.508 4.140 ( -2.450 -1.463 5.913) 6.566 4.140 ( -2.450 1.463 5.913) 6.566 4.266 ( 0.844 -2.123 -3.285) 4.001 4.266 ( 0.844 2.123 -3.285) 4.001 4.431 ( 3.156 -11.704 -5.099) 13.151 4.431 ( 3.156 11.704 -5.099) 13.151 4.503 ( -1.942 -4.587 4.397) 6.644 4.503 ( -1.942 4.587 4.397) 6.644 4.608 ( 0.271 -1.487 0.964) 1.792 4.608 ( 0.271 1.487 0.964) 1.792 4.727 ( 2.111 -2.284 5.818) 6.597 4.727 ( 2.111 2.284 5.818) 6.597 4.964 ( -1.321 -3.374 -1.230) 3.827 4.964 ( -1.321 3.374 -1.230) 3.827 5.005 ( -0.141 -3.637 -0.267) 3.649 5.005 ( -0.141 3.637 -0.267) 3.649 5.226 ( -0.958 -2.655 2.077) 3.504 5.226 ( -0.958 2.655 2.077) 3.504 5.337 ( 2.543 -0.908 -9.879) 10.242 5.337 ( 2.543 0.908 -9.879) 10.242 5.479 ( -0.308 -4.529 -2.838) 5.353 5.479 ( -0.308 4.529 -2.838) 5.353 5.661 ( 1.455 -0.582 3.415) 3.757 5.661 ( 1.455 0.582 3.415) 3.757 5.720 ( 2.129 -2.194 1.461) 3.389 5.720 ( 2.129 2.194 1.461) 3.389 5.926 ( -2.495 -3.655 -2.868) 5.274 5.926 ( -2.495 3.655 -2.868) 5.274 6.109 ( -0.106 -0.470 1.848) 1.910 6.109 ( -0.106 0.470 1.848) 1.910 6.167 ( -2.799 -2.964 5.534) 6.874 6.167 ( -2.799 2.964 5.534) 6.874 6.463 ( -11.819 -5.241 1.965) 13.077 6.463 ( -11.819 5.241 1.965) 13.077 6.994 ( -0.796 -2.816 1.065) 3.114 6.994 ( -0.796 2.816 1.065) 3.114 7.289 ( 0.493 -0.841 0.553) 1.120 7.289 ( 0.493 0.841 0.553) 1.120 7.501 ( 0.121 -4.243 -1.089) 4.382 7.501 ( 0.121 4.243 -1.089) 4.382 7.766 ( 10.886 -1.632 -3.937) 11.691 7.766 ( 10.886 1.632 -3.937) 11.691 ======================= Grid point 53 (23/48) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 8.544 -4.467 8.250) 12.689 0.609 ( 8.544 4.467 8.250) 12.689 0.903 ( 5.607 -7.210 2.441) 9.454 0.903 ( 5.607 7.210 2.441) 9.454 1.044 ( -1.155 -1.985 3.584) 4.257 1.044 ( -1.155 1.985 3.584) 4.257 1.211 ( 0.120 -3.540 5.163) 6.261 1.211 ( 0.120 3.540 5.163) 6.261 1.334 ( -5.997 -3.547 -1.964) 7.239 1.334 ( -5.997 3.547 -1.964) 7.239 1.388 ( -4.043 -0.290 -2.118) 4.574 1.388 ( -4.043 0.290 -2.118) 4.574 1.515 ( 3.686 -6.034 -0.833) 7.120 1.515 ( 3.686 6.034 -0.833) 7.120 1.595 ( 0.641 -0.897 -1.035) 1.513 1.595 ( 0.641 0.897 -1.035) 1.513 1.722 ( 4.741 -4.547 -1.048) 6.652 1.722 ( 4.741 4.547 -1.048) 6.652 1.862 ( 0.941 -0.301 1.541) 1.831 1.862 ( 0.941 0.301 1.541) 1.831 1.895 ( 1.323 -2.307 0.191) 2.667 1.895 ( 1.323 2.307 0.191) 2.667 1.970 ( -1.732 -2.165 2.998) 4.083 1.970 ( -1.732 2.165 2.998) 4.083 2.110 ( 1.591 -1.769 -0.849) 2.527 2.110 ( 1.591 1.769 -0.849) 2.527 2.175 ( -0.945 -2.884 0.459) 3.069 2.175 ( -0.945 2.884 0.459) 3.069 2.274 ( 0.385 -1.239 7.031) 7.150 2.274 ( 0.385 1.239 7.031) 7.150 2.390 ( 2.259 -1.064 3.839) 4.579 2.390 ( 2.259 1.064 3.839) 4.579 2.505 ( 2.597 -3.163 -2.637) 4.869 2.505 ( 2.597 3.163 -2.637) 4.869 2.655 ( 0.148 -3.124 3.109) 4.410 2.655 ( 0.148 3.124 3.109) 4.410 2.798 ( 5.582 -3.327 4.895) 8.136 2.798 ( 5.582 3.327 4.895) 8.136 2.971 ( -2.105 -3.283 -4.525) 5.974 2.971 ( -2.105 3.283 -4.525) 5.974 3.154 ( -8.265 -1.386 2.963) 8.889 3.154 ( -8.265 1.386 2.963) 8.889 3.202 ( 0.073 -4.666 1.570) 4.924 3.202 ( 0.073 4.666 1.570) 4.924 3.293 ( -5.542 -3.530 -4.516) 7.972 3.293 ( -5.542 3.530 -4.516) 7.972 3.544 ( -1.847 -4.436 1.543) 5.047 3.544 ( -1.847 4.436 1.543) 5.047 3.641 ( -4.383 -3.509 0.936) 5.692 3.641 ( -4.383 3.509 0.936) 5.692 3.870 ( 2.533 -2.925 -3.353) 5.120 3.870 ( 2.533 2.925 -3.353) 5.120 3.983 ( 0.946 -5.229 -3.765) 6.513 3.983 ( 0.946 5.229 -3.765) 6.513 4.080 ( -3.061 -0.579 4.915) 5.819 4.080 ( -3.061 0.579 4.915) 5.819 4.284 ( 1.235 -1.257 -1.442) 2.277 4.284 ( 1.235 1.257 -1.442) 2.277 4.444 ( -1.797 -5.551 -1.831) 6.115 4.444 ( -1.797 5.551 -1.831) 6.115 4.510 ( 1.495 -4.539 -1.555) 5.025 4.510 ( 1.495 4.539 -1.555) 5.025 4.645 ( 3.431 -2.833 0.230) 4.456 4.645 ( 3.431 2.833 0.230) 4.456 4.767 ( 1.950 -1.743 3.519) 4.385 4.767 ( 1.950 1.743 3.519) 4.385 4.919 ( -3.231 -5.999 -4.686) 8.269 4.919 ( -3.231 5.999 -4.686) 8.269 4.986 ( -1.083 -1.981 5.740) 6.168 4.986 ( -1.083 1.981 5.740) 6.168 5.254 ( 2.861 -2.765 -0.020) 3.979 5.254 ( 2.861 2.765 -0.020) 3.979 5.383 ( 1.590 -1.583 -12.297) 12.500 5.383 ( 1.590 1.583 -12.297) 12.500 5.472 ( -0.403 -2.864 -2.877) 4.079 5.472 ( -0.403 2.864 -2.877) 4.079 5.684 ( 0.398 -0.676 4.725) 4.790 5.684 ( 0.398 0.676 4.725) 4.790 5.798 ( 5.472 -3.211 0.585) 6.372 5.798 ( 5.472 3.211 0.585) 6.372 5.894 ( 0.263 -2.513 -1.889) 3.154 5.894 ( 0.263 2.513 -1.889) 3.154 6.067 ( -4.963 -3.359 2.171) 6.374 6.067 ( -4.963 3.359 2.171) 6.374 6.110 ( -1.372 -1.129 5.225) 5.519 6.110 ( -1.372 1.129 5.225) 5.519 6.217 ( -10.771 -4.479 1.952) 11.827 6.217 ( -10.771 4.479 1.952) 11.827 7.010 ( 1.326 -1.000 0.695) 1.800 7.010 ( 1.326 1.000 0.695) 1.800 7.314 ( 1.755 -2.138 -0.098) 2.768 7.314 ( 1.755 2.138 -0.098) 2.768 7.472 ( -2.183 -4.375 0.502) 4.915 7.472 ( -2.183 4.375 0.502) 4.915 7.946 ( 5.632 -2.114 -4.298) 7.394 7.946 ( 5.632 2.114 -4.298) 7.394 ======================= Grid point 55 (24/48) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.000 0.000 0.512) 0.512 0.853 ( 0.000 -0.000 0.512) 0.512 0.868 ( -0.000 0.000 0.947) 0.947 0.868 ( 0.000 0.000 0.947) 0.947 1.092 ( -0.000 0.000 8.263) 8.263 1.092 ( -0.000 0.000 8.263) 8.263 1.105 ( 0.000 0.000 7.925) 7.925 1.105 ( 0.000 -0.000 7.925) 7.925 1.299 ( -0.000 -0.000 -2.933) 2.933 1.299 ( -0.000 0.000 -2.933) 2.933 1.323 ( 0.000 -0.000 -6.293) 6.293 1.323 ( 0.000 0.000 -6.293) 6.293 1.545 ( 0.000 0.000 -2.013) 2.013 1.545 ( 0.000 0.000 -2.013) 2.013 1.607 ( -0.000 -0.000 -0.302) 0.302 1.607 ( -0.000 0.000 -0.302) 0.302 1.779 ( -0.000 -0.000 -2.101) 2.101 1.779 ( -0.000 0.000 -2.101) 2.101 1.880 ( -0.000 -0.000 4.932) 4.932 1.880 ( 0.000 0.000 4.932) 4.932 1.913 ( 0.000 -0.000 -1.235) 1.235 1.913 ( 0.000 0.000 -1.235) 1.235 1.945 ( 0.000 -0.000 1.424) 1.424 1.945 ( 0.000 0.000 1.424) 1.424 2.131 ( 0.000 -0.000 -1.225) 1.225 2.131 ( 0.000 0.000 -1.225) 1.225 2.169 ( 0.000 -0.000 2.115) 2.115 2.169 ( 0.000 0.000 2.115) 2.115 2.274 ( -0.000 -0.000 7.719) 7.719 2.274 ( 0.000 0.000 7.719) 7.719 2.416 ( 0.000 -0.000 5.702) 5.702 2.416 ( 0.000 0.000 5.702) 5.702 2.540 ( 0.000 -0.000 -3.150) 3.150 2.540 ( 0.000 0.000 -3.150) 3.150 2.655 ( -0.000 -0.000 4.013) 4.013 2.655 ( -0.000 0.000 4.013) 4.013 2.907 ( 0.000 0.000 -4.173) 4.173 2.907 ( 0.000 0.000 -4.173) 4.173 2.950 ( -0.000 0.000 3.602) 3.602 2.950 ( -0.000 0.000 3.602) 3.602 3.006 ( 0.000 -0.000 2.173) 2.173 3.006 ( 0.000 0.000 2.173) 2.173 3.203 ( 0.000 0.000 4.369) 4.369 3.203 ( -0.000 0.000 4.369) 4.369 3.230 ( 0.000 -0.000 -6.282) 6.282 3.230 ( 0.000 0.000 -6.282) 6.282 3.534 ( 0.000 -0.000 3.564) 3.564 3.534 ( -0.000 0.000 3.564) 3.564 3.585 ( 0.000 -0.000 0.153) 0.153 3.585 ( 0.000 0.000 0.153) 0.153 3.889 ( 0.000 0.000 -2.269) 2.269 3.889 ( 0.000 0.000 -2.269) 2.269 4.020 ( -0.000 0.000 -3.346) 3.346 4.020 ( 0.000 0.000 -3.346) 3.346 4.022 ( -0.000 -0.000 4.810) 4.810 4.022 ( 0.000 -0.000 4.810) 4.810 4.307 ( 0.000 -0.000 -1.220) 1.220 4.307 ( 0.000 0.000 -1.220) 1.220 4.416 ( 0.000 -0.000 -3.750) 3.750 4.416 ( 0.000 0.000 -3.750) 3.750 4.523 ( 0.000 -0.000 -0.661) 0.661 4.523 ( 0.000 0.000 -0.661) 0.661 4.695 ( 0.000 -0.000 3.020) 3.020 4.695 ( 0.000 0.000 3.020) 3.020 4.818 ( 0.000 0.000 3.513) 3.513 4.818 ( 0.000 0.000 3.513) 3.513 4.846 ( -0.000 -0.000 -11.247) 11.247 4.846 ( 0.000 -0.000 -11.247) 11.247 4.976 ( 0.000 -0.000 7.990) 7.990 4.976 ( 0.000 0.000 7.990) 7.990 5.295 ( 0.000 0.000 -0.633) 0.633 5.295 ( 0.000 0.000 -0.633) 0.633 5.397 ( 0.000 -0.000 -13.337) 13.337 5.397 ( 0.000 -0.000 -13.337) 13.337 5.466 ( 0.000 -0.000 -2.326) 2.326 5.466 ( 0.000 0.000 -2.326) 2.326 5.684 ( 0.000 0.000 4.974) 4.974 5.684 ( 0.000 0.000 4.974) 4.974 5.894 ( 0.000 0.000 -3.674) 3.674 5.894 ( 0.000 0.000 -3.674) 3.674 5.946 ( 0.000 -0.000 4.741) 4.741 5.946 ( 0.000 0.000 4.741) 4.741 5.973 ( -0.000 0.000 -3.631) 3.631 5.973 ( -0.000 0.000 -3.631) 3.631 6.037 ( -0.000 -0.000 6.921) 6.921 6.037 ( 0.000 0.000 6.921) 6.921 6.116 ( 0.000 -0.000 3.945) 3.945 6.116 ( 0.000 0.000 3.945) 3.945 7.025 ( 0.000 0.000 0.276) 0.276 7.025 ( 0.000 0.000 0.276) 0.276 7.342 ( 0.000 0.000 -1.981) 1.981 7.342 ( 0.000 0.000 -1.981) 1.981 7.439 ( -0.000 -0.000 2.797) 2.797 7.439 ( 0.000 0.000 2.797) 2.797 8.002 ( 0.000 -0.000 -3.934) 3.934 8.002 ( 0.000 0.000 -3.934) 3.934 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 0.000 14.450) 14.450 0.706 ( 0.000 0.000 17.007) 17.007 0.997 ( 0.000 0.000 -3.891) 3.891 1.099 ( 0.000 0.000 -1.540) 1.540 1.103 ( 0.000 0.000 21.980) 21.980 1.176 ( 0.000 0.000 2.338) 2.338 1.249 ( 0.000 0.000 -7.051) 7.051 1.264 ( 0.000 0.000 0.572) 0.572 1.317 ( 0.000 0.000 9.948) 9.948 1.320 ( 0.000 0.000 -0.094) 0.094 1.363 ( 0.000 0.000 4.251) 4.251 1.422 ( 0.000 0.000 12.847) 12.847 1.437 ( 0.000 0.000 8.382) 8.382 1.487 ( 0.000 0.000 1.478) 1.478 1.503 ( 0.000 0.000 -2.281) 2.281 1.523 ( 0.000 0.000 6.796) 6.796 1.641 ( 0.000 0.000 -1.455) 1.455 1.690 ( 0.000 0.000 -4.355) 4.355 1.716 ( 0.000 0.000 3.136) 3.136 1.824 ( 0.000 0.000 1.095) 1.095 1.841 ( 0.000 0.000 3.925) 3.925 1.852 ( 0.000 0.000 -2.915) 2.915 1.963 ( 0.000 0.000 -1.113) 1.113 2.075 ( 0.000 0.000 -7.124) 7.124 2.096 ( 0.000 0.000 -4.251) 4.251 2.111 ( 0.000 0.000 -3.776) 3.776 2.219 ( 0.000 0.000 -3.324) 3.324 2.223 ( 0.000 0.000 -5.692) 5.692 2.235 ( 0.000 0.000 -4.269) 4.269 2.315 ( 0.000 0.000 -6.557) 6.557 2.315 ( 0.000 0.000 -5.238) 5.238 2.351 ( 0.000 0.000 0.651) 0.651 2.380 ( 0.000 0.000 -6.286) 6.286 2.447 ( 0.000 0.000 -6.485) 6.485 2.725 ( 0.000 0.000 7.306) 7.306 2.810 ( 0.000 0.000 -4.340) 4.340 2.929 ( 0.000 0.000 9.921) 9.921 2.935 ( 0.000 0.000 -4.724) 4.724 2.978 ( 0.000 0.000 15.516) 15.516 2.984 ( 0.000 0.000 -3.426) 3.426 3.095 ( 0.000 0.000 5.386) 5.386 3.151 ( 0.000 0.000 -1.909) 1.909 3.296 ( 0.000 0.000 -7.468) 7.468 3.360 ( 0.000 0.000 8.296) 8.296 3.413 ( 0.000 0.000 5.302) 5.302 3.608 ( 0.000 0.000 1.181) 1.181 3.610 ( 0.000 0.000 -4.208) 4.208 3.667 ( 0.000 0.000 -8.862) 8.862 3.678 ( 0.000 0.000 2.280) 2.280 3.716 ( 0.000 0.000 3.452) 3.452 3.719 ( 0.000 0.000 -2.089) 2.089 3.854 ( 0.000 0.000 2.344) 2.344 3.957 ( 0.000 0.000 -5.483) 5.483 3.969 ( 0.000 0.000 5.984) 5.984 3.970 ( 0.000 0.000 -5.106) 5.106 4.103 ( 0.000 0.000 0.627) 0.627 4.129 ( 0.000 0.000 -0.592) 0.592 4.222 ( 0.000 0.000 -6.231) 6.231 4.368 ( 0.000 0.000 -3.627) 3.627 4.485 ( 0.000 0.000 6.603) 6.603 4.564 ( 0.000 0.000 -15.996) 15.996 4.631 ( 0.000 0.000 8.196) 8.196 4.636 ( 0.000 0.000 4.048) 4.048 4.660 ( 0.000 0.000 0.683) 0.683 4.761 ( 0.000 0.000 4.724) 4.724 4.770 ( 0.000 0.000 -2.654) 2.654 4.877 ( 0.000 0.000 4.722) 4.722 4.908 ( 0.000 0.000 -0.440) 0.440 4.939 ( 0.000 0.000 -3.825) 3.825 4.993 ( 0.000 0.000 -5.866) 5.866 5.095 ( 0.000 0.000 -6.403) 6.403 5.211 ( 0.000 0.000 -6.364) 6.364 5.294 ( 0.000 0.000 1.646) 1.646 5.374 ( 0.000 0.000 0.481) 0.481 5.384 ( 0.000 0.000 2.934) 2.934 5.525 ( 0.000 0.000 -5.709) 5.709 5.681 ( 0.000 0.000 2.747) 2.747 5.695 ( 0.000 0.000 1.251) 1.251 5.722 ( 0.000 0.000 0.499) 0.499 5.852 ( 0.000 0.000 -4.233) 4.233 5.942 ( 0.000 0.000 2.349) 2.349 5.969 ( 0.000 0.000 3.976) 3.976 5.993 ( 0.000 0.000 0.708) 0.708 6.042 ( 0.000 0.000 -0.821) 0.821 6.260 ( 0.000 0.000 5.869) 5.869 6.383 ( 0.000 0.000 3.023) 3.023 6.784 ( 0.000 0.000 -0.174) 0.174 6.881 ( 0.000 0.000 5.509) 5.509 6.987 ( 0.000 0.000 -7.350) 7.350 7.040 ( 0.000 0.000 2.139) 2.139 7.184 ( 0.000 0.000 -4.168) 4.168 7.229 ( 0.000 0.000 -2.638) 2.638 7.338 ( 0.000 0.000 -0.604) 0.604 7.347 ( 0.000 0.000 -0.549) 0.549 7.628 ( 0.000 0.000 0.687) 0.687 7.653 ( 0.000 0.000 -0.673) 0.673 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.083 0.000 15.729) 15.730 0.758 ( 7.244 0.000 10.920) 13.104 1.026 ( 2.596 0.000 -4.243) 4.974 1.111 ( -0.340 0.000 -1.706) 1.739 1.155 ( 0.575 0.000 6.278) 6.304 1.191 ( 3.694 0.000 15.457) 15.892 1.200 ( -2.542 0.000 -1.944) 3.200 1.260 ( -2.058 0.000 4.386) 4.845 1.308 ( -2.139 0.000 3.561) 4.154 1.339 ( 3.502 0.000 -1.521) 3.818 1.365 ( 2.227 0.000 -0.490) 2.280 1.396 ( -2.260 0.000 -0.730) 2.375 1.438 ( 0.250 0.000 7.247) 7.252 1.456 ( 0.852 0.000 12.348) 12.378 1.531 ( 0.700 0.000 7.261) 7.294 1.571 ( 3.234 0.000 0.124) 3.236 1.639 ( -1.430 0.000 -0.721) 1.601 1.727 ( -3.675 0.000 0.384) 3.695 1.734 ( 3.045 0.000 -2.573) 3.987 1.786 ( -2.202 0.000 -3.198) 3.883 1.862 ( 4.604 0.000 3.261) 5.642 1.875 ( 2.921 0.000 2.456) 3.816 1.939 ( -1.564 0.000 0.407) 1.616 2.035 ( -3.992 0.000 -4.932) 6.345 2.103 ( 1.944 0.000 -8.767) 8.980 2.118 ( 0.131 0.000 -2.001) 2.005 2.209 ( 0.774 0.000 0.285) 0.824 2.262 ( 1.505 0.000 -5.824) 6.016 2.309 ( 4.211 0.000 -1.702) 4.542 2.328 ( 2.801 0.000 -5.974) 6.598 2.354 ( 1.307 0.000 -0.943) 1.612 2.364 ( 3.359 0.000 -2.130) 3.978 2.394 ( 1.455 0.000 -7.266) 7.411 2.473 ( 2.072 0.000 -3.394) 3.977 2.658 ( -4.623 0.000 4.564) 6.497 2.829 ( 1.585 0.000 -3.831) 4.146 2.867 ( -6.758 0.000 4.379) 8.053 2.912 ( -2.466 0.000 2.242) 3.333 2.962 ( 0.902 0.000 7.394) 7.449 3.019 ( -0.359 0.000 5.596) 5.607 3.088 ( -0.264 0.000 -0.865) 0.904 3.131 ( -0.655 0.000 -0.385) 0.760 3.261 ( -1.838 0.000 -4.592) 4.946 3.329 ( -5.135 0.000 9.212) 10.547 3.360 ( -2.460 0.000 3.483) 4.264 3.440 ( -8.210 0.000 0.710) 8.241 3.646 ( -0.983 0.000 -2.636) 2.814 3.659 ( -3.461 0.000 2.284) 4.147 3.673 ( -0.784 0.000 -5.054) 5.115 3.706 ( -2.465 0.000 -5.903) 6.397 3.731 ( 0.831 0.000 7.037) 7.086 3.893 ( 0.608 0.000 -2.137) 2.222 3.894 ( 2.894 0.000 1.680) 3.346 4.022 ( 6.230 0.000 -0.233) 6.234 4.024 ( -0.015 0.000 -2.003) 2.003 4.114 ( -1.210 0.000 -7.260) 7.360 4.153 ( 4.081 0.000 1.608) 4.386 4.227 ( 1.154 0.000 -1.766) 2.109 4.381 ( 1.109 0.000 -3.570) 3.738 4.430 ( -4.528 0.000 3.934) 5.998 4.570 ( -2.577 0.000 5.104) 5.717 4.571 ( -0.239 0.000 -7.927) 7.931 4.644 ( 0.937 0.000 0.758) 1.205 4.705 ( 0.244 0.000 1.914) 1.929 4.755 ( -0.128 0.000 3.521) 3.523 4.795 ( 2.657 0.000 -1.802) 3.210 4.887 ( 0.723 0.000 3.940) 4.006 4.949 ( 3.449 0.000 -0.231) 3.457 4.959 ( 1.650 0.000 -1.263) 2.077 4.993 ( -0.057 0.000 -4.901) 4.902 5.125 ( 2.912 0.000 -6.353) 6.989 5.191 ( -1.697 0.000 -5.590) 5.842 5.271 ( -1.736 0.000 1.688) 2.421 5.313 ( -4.488 0.000 3.944) 5.974 5.364 ( -1.551 0.000 1.742) 2.332 5.500 ( -2.416 0.000 -5.952) 6.423 5.686 ( 0.354 0.000 1.208) 1.259 5.711 ( 1.581 0.000 0.835) 1.787 5.733 ( -0.284 0.000 -0.989) 1.029 5.794 ( -1.891 0.000 -1.160) 2.219 5.961 ( -0.064 0.000 0.269) 0.276 5.983 ( 1.290 0.000 5.543) 5.691 5.988 ( -0.765 0.000 1.301) 1.509 6.057 ( 1.303 0.000 -0.391) 1.360 6.247 ( -1.448 0.000 4.722) 4.939 6.320 ( -5.996 0.000 4.366) 7.417 6.530 ( -19.937 0.000 0.946) 19.960 6.536 ( -13.258 0.000 -3.667) 13.756 7.056 ( 3.714 0.000 5.585) 6.707 7.105 ( -1.861 0.000 1.115) 2.169 7.211 ( 5.032 0.000 0.947) 5.120 7.310 ( 0.881 0.000 1.449) 1.696 7.380 ( 0.522 0.000 -1.340) 1.438 7.549 ( 13.775 0.000 -13.339) 19.175 7.643 ( 2.826 0.000 1.087) 3.028 7.714 ( 5.403 0.000 -2.092) 5.794 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 5.139 0.000 7.499) 9.091 0.915 ( 5.316 0.000 3.363) 6.291 1.032 ( -3.930 0.000 0.441) 3.955 1.087 ( 2.908 0.000 -1.454) 3.251 1.122 ( -1.161 0.000 1.081) 1.586 1.186 ( 0.727 0.000 -0.212) 0.757 1.239 ( -0.400 0.000 0.804) 0.898 1.308 ( 1.344 0.000 1.412) 1.949 1.309 ( 5.596 0.000 12.650) 13.832 1.328 ( -3.581 0.000 4.223) 5.537 1.398 ( -0.020 0.000 -2.145) 2.145 1.436 ( 2.965 0.000 -7.454) 8.022 1.453 ( 1.399 0.000 4.248) 4.473 1.471 ( 0.659 0.000 12.823) 12.840 1.520 ( -1.955 0.000 9.270) 9.474 1.567 ( -6.841 0.000 -0.167) 6.843 1.636 ( 2.381 0.000 2.283) 3.298 1.639 ( 1.711 0.000 -0.134) 1.716 1.751 ( -1.695 0.000 -3.703) 4.072 1.753 ( -2.133 0.000 0.191) 2.142 1.902 ( -0.316 0.000 3.579) 3.593 1.928 ( -1.625 0.000 -1.161) 1.997 1.979 ( 4.377 0.000 -4.437) 6.232 2.023 ( 4.693 0.000 2.830) 5.481 2.122 ( 0.638 0.000 -4.192) 4.240 2.131 ( 1.004 0.000 -7.570) 7.636 2.260 ( -0.925 0.000 -0.049) 0.927 2.265 ( 3.985 0.000 2.056) 4.484 2.352 ( 1.496 0.000 4.223) 4.480 2.386 ( 0.789 0.000 -1.572) 1.759 2.422 ( 3.201 0.000 -2.969) 4.366 2.427 ( 3.035 0.000 -5.729) 6.484 2.462 ( -4.001 0.000 7.052) 8.108 2.473 ( 6.034 0.000 -1.298) 6.172 2.646 ( 4.486 0.000 -6.595) 7.975 2.689 ( -9.005 0.000 3.062) 9.512 2.860 ( 0.976 0.000 -3.869) 3.990 2.899 ( -0.563 0.000 5.906) 5.933 2.918 ( -4.129 0.000 4.139) 5.846 2.961 ( -2.184 0.000 -6.081) 6.461 3.070 ( -2.676 0.000 0.609) 2.744 3.119 ( -2.985 0.000 1.658) 3.415 3.248 ( 0.890 0.000 9.593) 9.634 3.256 ( -0.540 0.000 5.161) 5.189 3.295 ( -3.693 0.000 4.400) 5.744 3.335 ( -0.448 0.000 2.490) 2.530 3.549 ( -5.456 0.000 -0.009) 5.456 3.600 ( -5.436 0.000 -3.790) 6.627 3.604 ( -1.885 0.000 -5.094) 5.431 3.646 ( -2.360 0.000 -6.041) 6.486 3.770 ( 2.960 0.000 3.950) 4.936 3.966 ( 4.390 0.000 1.507) 4.642 3.979 ( 4.518 0.000 2.186) 5.019 3.995 ( -4.671 0.000 -3.262) 5.697 4.087 ( 1.934 0.000 -6.239) 6.531 4.140 ( 4.104 0.000 -2.676) 4.899 4.257 ( 3.580 0.000 -1.326) 3.818 4.258 ( 0.522 0.000 0.175) 0.550 4.332 ( -2.979 0.000 7.673) 8.232 4.398 ( 0.004 0.000 0.777) 0.777 4.543 ( -0.029 0.000 2.167) 2.167 4.556 ( -0.625 0.000 -2.327) 2.409 4.650 ( -0.545 0.000 -0.371) 0.660 4.679 ( -1.831 0.000 -0.453) 1.886 4.786 ( 3.098 0.000 -0.697) 3.176 4.842 ( 1.192 0.000 -0.040) 1.192 4.893 ( -0.179 0.000 1.925) 1.933 4.965 ( -2.333 0.000 -5.887) 6.332 4.997 ( 1.912 0.000 2.024) 2.784 5.027 ( 2.419 0.000 3.105) 3.936 5.167 ( -0.030 0.000 -1.097) 1.097 5.195 ( 2.386 0.000 1.149) 2.648 5.244 ( -0.994 0.000 -1.161) 1.528 5.251 ( 0.427 0.000 -1.868) 1.916 5.337 ( -0.752 0.000 -0.944) 1.207 5.431 ( -4.021 0.000 -5.795) 7.053 5.690 ( 0.039 0.000 -1.709) 1.709 5.698 ( -1.407 0.000 -2.956) 3.274 5.760 ( 3.013 0.000 -0.851) 3.131 5.812 ( 1.653 0.000 -2.667) 3.137 5.942 ( -1.100 0.000 1.301) 1.703 5.956 ( -1.964 0.000 1.978) 2.787 6.005 ( 0.004 0.000 5.834) 5.834 6.078 ( -1.294 0.000 0.929) 1.592 6.163 ( -5.972 0.000 3.118) 6.736 6.176 ( -5.649 0.000 2.225) 6.071 6.258 ( -5.319 0.000 2.497) 5.876 6.316 ( -7.820 0.000 -1.763) 8.016 7.063 ( -0.177 0.000 1.405) 1.416 7.073 ( -0.943 0.000 0.446) 1.043 7.304 ( -0.690 0.000 0.775) 1.037 7.332 ( -0.840 0.000 -0.264) 0.880 7.413 ( 7.530 0.000 4.573) 8.810 7.615 ( -1.040 0.000 0.773) 1.296 7.810 ( 6.683 0.000 -8.916) 11.143 7.827 ( 4.505 0.000 -4.027) 6.042 ======================= Grid point 73 (28/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -5.679 0.000 -0.106) 5.680 0.862 ( 5.679 0.000 -0.106) 5.680 1.082 ( -3.291 0.000 2.007) 3.855 1.082 ( 3.291 0.000 2.007) 3.855 1.171 ( -3.744 0.000 -0.543) 3.783 1.171 ( 3.744 0.000 -0.543) 3.783 1.245 ( -1.840 0.000 1.529) 2.393 1.245 ( 1.840 0.000 1.529) 2.393 1.352 ( -2.918 0.000 0.876) 3.046 1.352 ( 2.918 0.000 0.876) 3.046 1.407 ( -3.956 0.000 4.459) 5.961 1.407 ( 3.956 0.000 4.459) 5.961 1.485 ( -0.599 0.000 4.104) 4.147 1.485 ( 0.599 0.000 4.104) 4.147 1.502 ( -0.471 0.000 5.462) 5.482 1.502 ( 0.471 0.000 5.462) 5.482 1.682 ( -2.808 0.000 -0.938) 2.960 1.682 ( 2.808 0.000 -0.938) 2.960 1.704 ( -2.470 0.000 1.090) 2.700 1.704 ( 2.470 0.000 1.090) 2.700 1.904 ( -0.423 0.000 1.577) 1.632 1.904 ( 0.423 0.000 1.577) 1.632 2.047 ( -1.948 0.000 -4.768) 5.150 2.047 ( 1.948 0.000 -4.768) 5.150 2.153 ( -0.184 0.000 -4.672) 4.675 2.153 ( 0.184 0.000 -4.672) 4.675 2.276 ( -3.692 0.000 4.501) 5.822 2.276 ( 3.692 0.000 4.501) 5.822 2.372 ( -1.998 0.000 4.583) 5.000 2.372 ( 1.998 0.000 4.583) 5.000 2.445 ( -1.296 0.000 -3.590) 3.816 2.445 ( 1.296 0.000 -3.590) 3.816 2.496 ( -4.875 0.000 1.163) 5.012 2.496 ( 4.875 0.000 1.163) 5.012 2.657 ( -5.890 0.000 0.016) 5.890 2.657 ( 5.890 0.000 0.016) 5.890 2.861 ( -1.781 0.000 -1.199) 2.147 2.861 ( 1.781 0.000 -1.199) 2.147 2.914 ( -3.417 0.000 -3.795) 5.107 2.914 ( 3.417 0.000 -3.795) 5.107 3.057 ( -2.227 0.000 1.739) 2.826 3.057 ( 2.227 0.000 1.739) 2.826 3.228 ( -0.254 0.000 7.522) 7.526 3.228 ( 0.254 0.000 7.522) 7.526 3.334 ( -3.488 0.000 10.923) 11.467 3.334 ( 3.488 0.000 10.923) 11.467 3.501 ( -2.764 0.000 -7.466) 7.961 3.501 ( 2.764 0.000 -7.466) 7.961 3.606 ( -1.459 0.000 -4.578) 4.805 3.606 ( 1.459 0.000 -4.578) 4.805 3.865 ( -6.250 0.000 -1.792) 6.502 3.865 ( 6.250 0.000 -1.792) 6.502 4.025 ( -0.647 0.000 0.685) 0.942 4.025 ( 0.647 0.000 0.685) 0.942 4.177 ( -4.746 0.000 -4.957) 6.863 4.177 ( 4.746 0.000 -4.957) 6.863 4.226 ( -2.673 0.000 3.525) 4.424 4.226 ( 2.673 0.000 3.525) 4.424 4.376 ( -2.185 0.000 6.083) 6.464 4.376 ( 2.185 0.000 6.083) 6.464 4.553 ( -0.236 0.000 -1.716) 1.732 4.553 ( 0.236 0.000 -1.716) 1.732 4.647 ( -0.838 0.000 -0.748) 1.123 4.647 ( 0.838 0.000 -0.748) 1.123 4.844 ( -1.287 0.000 0.372) 1.340 4.844 ( 1.287 0.000 0.372) 1.340 4.904 ( -2.293 0.000 -3.288) 4.009 4.904 ( 2.293 0.000 -3.288) 4.009 5.034 ( -1.365 0.000 3.469) 3.728 5.034 ( 1.365 0.000 3.469) 3.728 5.187 ( -1.381 0.000 4.557) 4.761 5.187 ( 1.381 0.000 4.557) 4.761 5.268 ( -0.465 0.000 -5.303) 5.323 5.268 ( 0.465 0.000 -5.303) 5.323 5.352 ( -2.819 0.000 -4.793) 5.561 5.352 ( 2.819 0.000 -4.793) 5.561 5.688 ( -0.119 0.000 -3.739) 3.741 5.688 ( 0.119 0.000 -3.739) 3.741 5.816 ( -1.693 0.000 -3.763) 4.126 5.816 ( 1.693 0.000 -3.763) 4.126 5.940 ( -0.380 0.000 1.366) 1.418 5.940 ( 0.380 0.000 1.366) 1.418 5.982 ( -2.438 0.000 4.802) 5.386 5.982 ( 2.438 0.000 4.802) 5.386 6.146 ( -0.578 0.000 1.358) 1.476 6.146 ( 0.578 0.000 1.358) 1.476 6.213 ( -1.035 0.000 2.646) 2.841 6.213 ( 1.035 0.000 2.646) 2.841 7.064 ( -0.153 0.000 0.532) 0.553 7.064 ( 0.153 0.000 0.532) 0.553 7.302 ( -0.788 0.000 -0.551) 0.961 7.302 ( 0.788 0.000 -0.551) 0.961 7.554 ( -5.038 0.000 4.021) 6.446 7.554 ( 5.038 0.000 4.021) 6.446 7.876 ( -0.114 0.000 -6.140) 6.141 7.876 ( 0.114 0.000 -6.140) 6.141 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 -0.664 12.680) 12.697 0.782 ( 0.000 6.187 14.620) 15.875 0.989 ( 0.000 -6.710 -5.742) 8.831 1.040 ( 0.000 -2.512 3.963) 4.692 1.069 ( 0.000 -5.824 0.982) 5.907 1.165 ( 0.000 -2.090 3.795) 4.333 1.215 ( 0.000 -1.090 -3.974) 4.121 1.235 ( 0.000 4.206 3.750) 5.634 1.296 ( 0.000 -2.162 4.824) 5.286 1.324 ( 0.000 2.377 6.799) 7.203 1.363 ( 0.000 -1.376 2.778) 3.100 1.367 ( 0.000 -1.877 2.080) 2.802 1.476 ( 0.000 4.502 7.478) 8.729 1.516 ( 0.000 5.184 8.754) 10.174 1.572 ( 0.000 2.863 -1.537) 3.249 1.609 ( 0.000 3.498 8.509) 9.200 1.664 ( 0.000 3.316 2.108) 3.930 1.739 ( 0.000 2.733 -3.736) 4.629 1.781 ( 0.000 0.683 1.798) 1.923 1.805 ( 0.000 -2.063 0.608) 2.150 1.843 ( 0.000 -0.108 -1.504) 1.508 1.877 ( 0.000 3.206 5.330) 6.220 2.026 ( 0.000 4.734 -2.378) 5.298 2.064 ( 0.000 -2.919 -3.115) 4.269 2.071 ( 0.000 -0.851 -4.639) 4.716 2.126 ( 0.000 0.431 -3.387) 3.414 2.187 ( 0.000 -0.002 -7.147) 7.147 2.210 ( 0.000 -1.969 -2.414) 3.115 2.221 ( 0.000 -3.777 -2.920) 4.774 2.237 ( 0.000 -2.695 -7.830) 8.280 2.338 ( 0.000 0.629 -3.261) 3.321 2.369 ( 0.000 3.022 2.615) 3.996 2.384 ( 0.000 4.707 -3.493) 5.862 2.492 ( 0.000 -3.342 1.928) 3.859 2.671 ( 0.000 -0.200 0.602) 0.635 2.740 ( 0.000 -3.940 1.161) 4.107 2.843 ( 0.000 -7.363 0.376) 7.373 2.920 ( 0.000 -2.568 5.709) 6.260 2.953 ( 0.000 -1.433 -3.643) 3.915 2.996 ( 0.000 1.241 12.887) 12.947 3.094 ( 0.000 0.037 0.517) 0.519 3.252 ( 0.000 6.048 -2.101) 6.403 3.277 ( 0.000 -2.592 -4.372) 5.083 3.363 ( 0.000 -1.207 5.055) 5.197 3.473 ( 0.000 5.861 4.609) 7.456 3.519 ( 0.000 -2.459 -1.500) 2.881 3.548 ( 0.000 -4.249 0.192) 4.254 3.588 ( 0.000 -5.425 1.937) 5.760 3.644 ( 0.000 1.961 -1.767) 2.640 3.752 ( 0.000 1.646 -13.957) 14.054 3.763 ( 0.000 -4.667 -0.504) 4.694 3.883 ( 0.000 1.642 -5.207) 5.460 3.918 ( 0.000 0.256 2.774) 2.786 3.965 ( 0.000 1.992 1.309) 2.384 4.012 ( 0.000 -3.436 2.423) 4.204 4.152 ( 0.000 7.766 -0.426) 7.778 4.157 ( 0.000 2.165 1.007) 2.388 4.221 ( 0.000 -1.245 -4.787) 4.946 4.342 ( 0.000 -1.532 -2.948) 3.322 4.447 ( 0.000 -8.719 -11.526) 14.452 4.534 ( 0.000 3.781 5.262) 6.479 4.617 ( 0.000 1.040 6.070) 6.159 4.655 ( 0.000 -0.602 1.152) 1.300 4.715 ( 0.000 4.076 5.337) 6.716 4.731 ( 0.000 -3.268 -0.787) 3.361 4.814 ( 0.000 4.871 1.529) 5.105 4.883 ( 0.000 -2.669 1.001) 2.851 4.938 ( 0.000 -0.062 -7.573) 7.574 4.944 ( 0.000 5.344 4.838) 7.209 5.010 ( 0.000 -0.313 -2.958) 2.974 5.062 ( 0.000 -2.429 -7.364) 7.754 5.223 ( 0.000 -3.124 -1.671) 3.543 5.269 ( 0.000 2.883 -1.934) 3.472 5.397 ( 0.000 0.601 2.635) 2.703 5.406 ( 0.000 2.027 0.573) 2.107 5.498 ( 0.000 -2.430 -5.234) 5.771 5.649 ( 0.000 -2.568 2.482) 3.572 5.679 ( 0.000 -1.319 0.212) 1.336 5.717 ( 0.000 1.060 3.313) 3.478 5.865 ( 0.000 -0.631 -3.665) 3.719 5.889 ( 0.000 -2.927 3.740) 4.749 5.942 ( 0.000 -0.447 0.458) 0.640 6.059 ( 0.000 1.687 -0.623) 1.798 6.059 ( 0.000 3.095 -0.074) 3.095 6.284 ( 0.000 1.537 5.073) 5.301 6.357 ( 0.000 -2.201 4.062) 4.620 6.711 ( 0.000 -4.976 -1.365) 5.160 6.717 ( 0.000 -8.226 3.331) 8.874 7.015 ( 0.000 1.388 -1.450) 2.007 7.055 ( 0.000 0.540 1.498) 1.592 7.244 ( 0.000 4.319 -1.064) 4.448 7.292 ( 0.000 2.413 0.436) 2.452 7.350 ( 0.000 1.383 -1.541) 2.070 7.400 ( 0.000 3.129 -5.147) 6.023 7.599 ( 0.000 -1.959 0.159) 1.966 7.630 ( 0.000 -1.943 -1.292) 2.333 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 4.265 -0.646 12.665) 13.380 0.748 ( 0.950 3.664 12.099) 12.678 1.012 ( 0.223 -6.660 -2.311) 7.053 1.036 ( -2.166 -8.040 3.385) 8.988 1.057 ( -1.566 -4.856 1.173) 5.235 1.106 ( 0.778 0.227 -0.323) 0.873 1.257 ( 2.746 -2.303 0.348) 3.601 1.284 ( 2.564 5.924 4.796) 8.042 1.305 ( -0.513 2.042 1.378) 2.516 1.344 ( 3.337 -1.575 4.170) 5.568 1.371 ( 0.459 0.668 0.674) 1.054 1.436 ( 3.573 2.487 6.867) 8.131 1.483 ( -1.819 7.797 7.088) 10.693 1.502 ( 1.715 0.978 2.113) 2.892 1.545 ( -2.324 2.756 1.393) 3.865 1.603 ( 0.263 1.978 5.773) 6.108 1.685 ( -5.592 -3.297 -2.330) 6.897 1.720 ( 1.547 3.534 2.372) 4.529 1.731 ( -0.763 0.771 -1.534) 1.879 1.819 ( 1.270 0.643 -1.426) 2.014 1.845 ( 0.960 0.764 1.811) 2.187 1.929 ( 3.115 0.722 2.456) 4.032 2.002 ( -1.893 3.837 -0.429) 4.300 2.030 ( -0.297 1.009 -1.384) 1.739 2.083 ( 0.749 -1.897 -5.051) 5.447 2.121 ( -0.434 -0.316 -3.149) 3.194 2.177 ( 0.818 -3.502 -3.268) 4.860 2.237 ( 2.677 -3.299 -3.808) 5.705 2.276 ( 2.385 -1.435 -0.550) 2.838 2.319 ( 4.405 -2.000 -4.940) 6.914 2.340 ( 1.281 0.312 -2.205) 2.569 2.372 ( 0.609 3.601 1.471) 3.938 2.400 ( 1.613 3.604 -2.658) 4.760 2.488 ( -0.107 -2.956 4.016) 4.988 2.650 ( -1.081 2.115 -3.344) 4.102 2.740 ( -0.128 -4.204 1.846) 4.593 2.846 ( -0.550 -5.595 0.981) 5.707 2.923 ( -1.449 1.079 3.964) 4.357 2.929 ( -0.088 -4.677 -2.644) 5.373 2.991 ( -1.072 0.151 9.279) 9.342 3.094 ( -0.125 1.341 -0.861) 1.598 3.215 ( -1.074 4.559 -1.928) 5.065 3.282 ( -1.326 1.997 1.136) 2.653 3.359 ( -1.009 -0.267 4.088) 4.219 3.380 ( -6.753 2.735 2.171) 7.602 3.456 ( -5.054 1.954 5.291) 7.573 3.538 ( -0.402 -5.439 1.127) 5.569 3.603 ( -2.756 -0.473 -3.468) 4.455 3.610 ( -0.200 -3.570 0.663) 3.636 3.712 ( -1.649 -1.689 -5.182) 5.694 3.823 ( 1.088 -1.704 -2.878) 3.517 3.868 ( -0.117 -0.996 -7.010) 7.082 3.900 ( 1.109 -0.486 -2.912) 3.153 3.979 ( 0.601 2.643 2.544) 3.717 4.051 ( 4.263 -0.629 3.175) 5.353 4.125 ( -2.874 1.716 -1.753) 3.779 4.179 ( 0.678 3.997 -0.373) 4.071 4.249 ( 2.944 0.277 -1.401) 3.272 4.347 ( 0.093 -2.368 -2.426) 3.392 4.444 ( -0.768 -3.592 -8.611) 9.362 4.516 ( -0.988 -0.441 1.522) 1.867 4.582 ( -2.474 1.063 4.353) 5.118 4.646 ( -0.185 -0.200 1.607) 1.630 4.697 ( -1.509 -1.460 1.770) 2.746 4.756 ( 0.350 0.966 1.179) 1.564 4.817 ( 0.956 2.939 2.741) 4.131 4.884 ( -0.009 -2.132 1.355) 2.526 4.956 ( 1.951 0.459 -4.673) 5.084 4.983 ( 1.458 3.673 0.969) 4.069 5.013 ( 1.859 0.247 -0.144) 1.881 5.100 ( 2.989 -1.773 -6.969) 7.787 5.219 ( -0.125 -0.208 -2.844) 2.854 5.269 ( 0.054 1.870 -0.427) 1.919 5.325 ( -4.926 1.400 3.573) 6.244 5.387 ( -1.862 1.388 1.240) 2.633 5.481 ( -1.618 -1.917 -4.998) 5.592 5.652 ( 0.695 -1.962 -0.088) 2.083 5.704 ( 0.941 1.204 0.616) 1.648 5.738 ( 2.521 -1.327 1.780) 3.359 5.812 ( -2.730 1.508 -2.753) 4.161 5.886 ( -0.075 -4.728 4.011) 6.201 5.934 ( -1.604 -2.359 -0.993) 3.021 6.077 ( 1.383 4.184 1.822) 4.768 6.089 ( 1.657 2.513 0.217) 3.018 6.260 ( -2.188 0.871 4.407) 4.996 6.304 ( -5.067 -1.055 4.712) 6.999 6.484 ( -12.949 -1.832 -0.322) 13.082 6.542 ( -15.200 -1.822 -0.852) 15.332 7.007 ( 2.653 -1.589 2.730) 4.126 7.078 ( -1.827 -2.504 1.226) 3.333 7.279 ( 4.425 3.985 2.829) 6.593 7.296 ( -0.418 -0.346 0.506) 0.742 7.400 ( 0.750 1.864 -1.478) 2.494 7.547 ( 5.580 -2.198 -6.619) 8.932 7.649 ( 8.035 1.498 -3.116) 8.747 7.704 ( 6.536 -0.884 -2.537) 7.067 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.996 1.212 8.764) 10.160 0.883 ( 6.156 -0.988 4.072) 7.446 0.938 ( -1.058 -6.338 6.553) 9.178 1.032 ( -1.819 -7.419 0.125) 7.640 1.084 ( 2.771 -1.322 -3.726) 4.828 1.144 ( 1.964 -1.051 -1.198) 2.529 1.226 ( -3.246 0.266 3.909) 5.088 1.287 ( -1.247 0.739 -0.394) 1.502 1.349 ( 2.177 -2.469 4.046) 5.216 1.353 ( -5.536 -0.398 1.278) 5.695 1.408 ( -0.185 1.319 5.794) 5.945 1.440 ( 3.117 2.118 1.581) 4.086 1.474 ( -2.713 -0.250 6.484) 7.033 1.502 ( 0.875 4.811 3.244) 5.869 1.531 ( 0.752 3.368 -0.262) 3.461 1.574 ( -2.172 0.747 2.305) 3.254 1.636 ( 2.921 0.322 0.969) 3.095 1.729 ( 0.868 3.594 -1.632) 4.042 1.757 ( -0.390 1.044 -0.547) 1.242 1.825 ( -1.032 4.192 -0.235) 4.324 1.892 ( 2.470 -1.119 1.419) 3.061 1.938 ( -1.052 0.698 -0.536) 1.372 1.980 ( 0.819 2.722 0.789) 2.950 2.079 ( 0.685 0.285 -3.323) 3.405 2.093 ( 0.730 -2.813 -1.753) 3.395 2.103 ( 0.044 -0.784 -4.072) 4.147 2.238 ( 3.991 -2.866 2.559) 5.540 2.284 ( 1.309 -6.263 -1.103) 6.492 2.305 ( 1.606 2.217 2.378) 3.626 2.356 ( 0.511 1.326 2.212) 2.630 2.413 ( 3.125 2.094 0.780) 3.841 2.415 ( 4.252 -1.969 -4.522) 6.512 2.454 ( 2.342 1.616 -0.208) 2.853 2.496 ( 1.347 -0.698 4.442) 4.694 2.652 ( 0.718 1.005 -4.576) 4.739 2.693 ( -3.558 -0.100 -2.708) 4.473 2.842 ( 0.633 -1.718 1.337) 2.267 2.877 ( -2.248 0.286 -0.082) 2.267 2.921 ( -1.670 -4.383 -3.206) 5.681 2.966 ( -1.379 0.102 -0.223) 1.400 3.095 ( 0.550 4.570 1.215) 4.761 3.158 ( -4.863 1.750 3.208) 6.083 3.229 ( -4.089 0.586 6.752) 7.915 3.287 ( -0.415 0.238 6.074) 6.093 3.331 ( -1.124 0.790 6.252) 6.401 3.352 ( -4.953 3.890 8.233) 10.366 3.503 ( -1.698 -2.695 -3.775) 4.939 3.565 ( -0.332 4.190 -6.163) 7.460 3.616 ( 0.135 -2.794 2.685) 3.877 3.716 ( 3.257 -5.722 -1.230) 6.698 3.770 ( -4.219 6.715 -5.001) 9.376 3.886 ( 2.423 -1.536 0.859) 2.994 3.931 ( -2.843 -7.276 1.268) 7.915 4.004 ( -0.395 2.439 -5.604) 6.125 4.085 ( 2.278 -6.682 -3.259) 7.775 4.152 ( 4.029 0.924 2.301) 4.731 4.190 ( 1.436 3.873 -1.018) 4.254 4.303 ( 1.777 -0.495 -0.170) 1.852 4.334 ( -1.365 -1.887 -1.760) 2.919 4.395 ( -3.402 2.148 -0.551) 4.061 4.518 ( 0.449 -3.935 -3.012) 4.976 4.544 ( -0.733 -0.683 1.937) 2.181 4.641 ( -0.871 -1.090 -1.325) 1.924 4.671 ( -0.661 -0.484 -1.665) 1.855 4.752 ( 0.837 -0.842 2.165) 2.469 4.836 ( 0.049 -0.847 1.954) 2.130 4.882 ( 0.026 -0.416 1.554) 1.609 4.944 ( -2.498 -1.138 -2.726) 3.869 5.031 ( 2.767 1.444 0.341) 3.140 5.072 ( 1.871 4.782 3.373) 6.144 5.157 ( 2.666 -1.940 -3.008) 4.463 5.232 ( 0.350 3.195 0.187) 3.220 5.257 ( -0.154 0.848 0.565) 1.030 5.266 ( -0.465 -0.158 -0.906) 1.030 5.359 ( -0.260 2.584 -1.478) 2.988 5.435 ( -2.687 -0.023 -4.485) 5.228 5.678 ( 1.792 0.232 -3.776) 4.186 5.718 ( 0.508 2.037 -2.763) 3.470 5.790 ( 1.199 0.151 0.953) 1.539 5.799 ( 2.236 -0.347 -2.167) 3.132 5.880 ( -1.819 -3.279 1.212) 3.941 5.909 ( 1.187 -3.769 0.680) 4.010 6.064 ( -3.155 3.930 3.898) 6.371 6.109 ( -1.770 1.773 2.015) 3.215 6.171 ( -4.580 1.206 3.510) 5.895 6.193 ( -4.599 0.856 2.075) 5.118 6.260 ( -6.399 0.013 3.523) 7.305 6.299 ( -7.848 -1.551 -0.921) 8.053 7.037 ( 0.725 -1.728 0.966) 2.108 7.053 ( -0.489 -1.608 0.575) 1.776 7.279 ( -0.334 -0.554 -0.422) 0.773 7.359 ( -3.002 -0.225 -1.055) 3.190 7.418 ( 6.688 1.869 4.878) 8.486 7.578 ( -0.493 -3.185 0.782) 3.317 7.830 ( 6.283 1.343 -7.216) 9.661 7.837 ( 5.129 0.722 -4.219) 6.680 ======================= Grid point 80 (32/48) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -4.694 1.713 0.458) 5.017 0.885 ( 4.694 1.713 0.458) 5.017 0.988 ( -2.674 -5.971 4.096) 7.719 0.988 ( 2.674 -5.971 4.096) 7.719 1.152 ( -5.954 -1.938 -1.101) 6.357 1.152 ( 5.954 -1.938 -1.101) 6.357 1.194 ( -2.055 -1.511 -1.166) 2.805 1.194 ( 2.055 -1.511 -1.166) 2.805 1.329 ( -4.289 -1.818 2.766) 5.417 1.329 ( 4.289 -1.818 2.766) 5.417 1.424 ( -2.726 -4.165 11.231) 12.285 1.424 ( 2.726 -4.165 11.231) 12.285 1.503 ( -0.856 4.590 4.552) 6.521 1.503 ( 0.856 4.590 4.552) 6.521 1.549 ( -1.488 4.441 -3.115) 5.625 1.549 ( 1.488 4.441 -3.115) 5.625 1.706 ( -3.384 0.605 -0.930) 3.561 1.706 ( 3.384 0.605 -0.930) 3.561 1.776 ( -2.995 5.553 -0.591) 6.337 1.776 ( 2.995 5.553 -0.591) 6.337 1.921 ( -0.721 0.994 0.866) 1.503 1.921 ( 0.721 0.994 0.866) 1.503 2.029 ( -3.098 -1.250 -1.359) 3.606 2.029 ( 3.098 -1.250 -1.359) 3.606 2.114 ( -0.444 -2.087 -3.096) 3.760 2.114 ( 0.444 -2.087 -3.096) 3.760 2.290 ( -0.844 -3.588 -0.387) 3.706 2.290 ( 0.844 -3.588 -0.387) 3.706 2.350 ( -2.641 1.583 5.612) 6.401 2.350 ( 2.641 1.583 5.612) 6.401 2.458 ( -0.190 0.940 -3.195) 3.336 2.458 ( 0.190 0.940 -3.195) 3.336 2.492 ( -3.845 0.400 2.722) 4.727 2.492 ( 3.845 0.400 2.722) 4.727 2.672 ( -3.822 1.513 -0.939) 4.217 2.672 ( 3.822 1.513 -0.939) 4.217 2.848 ( -2.549 -2.192 -3.188) 4.633 2.848 ( 2.549 -2.192 -3.188) 4.633 2.908 ( -2.926 0.456 -4.001) 4.977 2.908 ( 2.926 0.456 -4.001) 4.977 3.109 ( -3.397 2.718 3.181) 5.390 3.109 ( 3.397 2.718 3.181) 5.390 3.219 ( -5.334 -0.279 8.331) 9.896 3.219 ( 5.334 -0.279 8.331) 9.896 3.314 ( -0.725 0.057 9.374) 9.402 3.314 ( 0.725 0.057 9.374) 9.402 3.521 ( -2.853 0.264 -1.354) 3.169 3.521 ( 2.853 0.264 -1.354) 3.169 3.677 ( -4.595 7.570 -7.076) 11.335 3.677 ( 4.595 7.570 -7.076) 11.335 3.823 ( -6.237 -7.606 2.523) 10.155 3.823 ( 6.237 -7.606 2.523) 10.155 3.951 ( -3.309 -0.777 -0.578) 3.448 3.951 ( 3.309 -0.777 -0.578) 3.448 4.154 ( -2.285 -4.998 -2.187) 5.915 4.154 ( 2.285 -4.998 -2.187) 5.915 4.277 ( -4.504 3.654 -2.381) 6.270 4.277 ( 4.504 3.654 -2.381) 6.270 4.335 ( -1.891 -1.379 1.045) 2.563 4.335 ( 1.891 -1.379 1.045) 2.563 4.530 ( -1.029 -2.851 0.070) 3.032 4.530 ( 1.029 -2.851 0.070) 3.032 4.644 ( -1.412 0.479 -2.204) 2.661 4.644 ( 1.412 0.479 -2.204) 2.661 4.804 ( -2.994 -3.599 -1.207) 4.835 4.804 ( 2.994 -3.599 -1.207) 4.835 4.896 ( -1.523 0.173 1.876) 2.422 4.896 ( 1.523 0.173 1.876) 2.422 5.072 ( -1.229 3.470 1.956) 4.168 5.072 ( 1.229 3.470 1.956) 4.168 5.212 ( -2.102 -0.006 3.728) 4.280 5.212 ( 2.102 -0.006 3.728) 4.280 5.268 ( -0.490 0.647 -4.320) 4.396 5.268 ( 0.490 0.647 -4.320) 4.396 5.381 ( -2.194 2.434 -3.875) 5.075 5.381 ( 2.194 2.434 -3.875) 5.075 5.714 ( -1.169 2.109 -5.844) 6.322 5.714 ( 1.169 2.109 -5.844) 6.322 5.813 ( -1.323 -1.747 0.129) 2.195 5.813 ( 1.323 -1.747 0.129) 2.195 5.904 ( -4.193 0.242 -0.661) 4.252 5.904 ( 4.193 0.242 -0.661) 4.252 6.014 ( -2.897 0.649 3.629) 4.689 6.014 ( 2.897 0.649 3.629) 4.689 6.159 ( -1.108 0.993 2.444) 2.861 6.159 ( 1.108 0.993 2.444) 2.861 6.204 ( -0.657 -0.645 3.543) 3.660 6.204 ( 0.657 -0.645 3.543) 3.660 7.047 ( -0.292 -1.320 0.328) 1.391 7.047 ( 0.292 -1.320 0.328) 1.391 7.298 ( -2.249 -0.068 -1.272) 2.585 7.298 ( 2.249 -0.068 -1.272) 2.585 7.533 ( -3.987 -1.647 3.927) 5.834 7.533 ( 3.987 -1.647 3.927) 5.834 7.892 ( -0.045 1.174 -5.534) 5.658 7.892 ( 0.045 1.174 -5.534) 5.658 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 -10.136 3.048) 10.584 0.737 ( 0.000 10.136 3.048) 10.584 0.928 ( 0.000 -7.168 8.245) 10.925 0.928 ( 0.000 7.168 8.245) 10.925 1.098 ( 0.000 -2.851 -1.812) 3.378 1.098 ( 0.000 2.851 -1.812) 3.378 1.237 ( 0.000 -1.649 3.791) 4.134 1.237 ( 0.000 1.649 3.791) 4.134 1.305 ( 0.000 -1.077 0.609) 1.237 1.305 ( 0.000 1.077 0.609) 1.237 1.378 ( 0.000 -1.039 -1.675) 1.971 1.378 ( 0.000 1.039 -1.675) 1.971 1.584 ( 0.000 -3.048 10.450) 10.886 1.584 ( 0.000 3.048 10.450) 10.886 1.622 ( 0.000 -0.209 1.813) 1.825 1.622 ( 0.000 0.209 1.813) 1.825 1.719 ( 0.000 -1.864 2.027) 2.754 1.719 ( 0.000 1.864 2.027) 2.754 1.771 ( 0.000 -1.249 2.985) 3.236 1.771 ( 0.000 1.249 2.985) 3.236 1.883 ( 0.000 -2.957 1.741) 3.432 1.883 ( 0.000 2.957 1.741) 3.432 2.034 ( 0.000 -1.733 -1.140) 2.074 2.034 ( 0.000 1.733 -1.140) 2.074 2.100 ( 0.000 -1.892 -3.107) 3.638 2.100 ( 0.000 1.892 -3.107) 3.638 2.188 ( 0.000 -0.268 -2.242) 2.258 2.188 ( 0.000 0.268 -2.242) 2.258 2.216 ( 0.000 -0.150 -9.426) 9.427 2.216 ( 0.000 0.150 -9.426) 9.427 2.373 ( 0.000 -4.341 3.102) 5.336 2.373 ( 0.000 4.341 3.102) 5.336 2.445 ( 0.000 -2.174 1.445) 2.610 2.445 ( 0.000 2.174 1.445) 2.610 2.683 ( 0.000 -5.359 6.143) 8.152 2.683 ( 0.000 5.359 6.143) 8.152 2.807 ( 0.000 -6.657 -7.412) 9.963 2.807 ( 0.000 6.657 -7.412) 9.963 2.970 ( 0.000 -2.324 8.485) 8.797 2.970 ( 0.000 2.324 8.485) 8.797 3.171 ( 0.000 -6.147 0.188) 6.150 3.171 ( 0.000 6.147 0.188) 6.150 3.323 ( 0.000 -1.669 -1.074) 1.985 3.323 ( 0.000 1.669 -1.074) 1.985 3.516 ( 0.000 -1.176 1.762) 2.118 3.516 ( 0.000 1.176 1.762) 2.118 3.567 ( 0.000 -3.370 -3.831) 5.103 3.567 ( 0.000 3.370 -3.831) 5.103 3.664 ( 0.000 -6.907 -3.139) 7.586 3.664 ( 0.000 6.907 -3.139) 7.586 3.796 ( 0.000 -5.827 -3.859) 6.989 3.796 ( 0.000 5.827 -3.859) 6.989 3.944 ( 0.000 -1.535 2.326) 2.787 3.944 ( 0.000 1.535 2.326) 2.787 4.128 ( 0.000 -7.512 -3.792) 8.415 4.128 ( 0.000 7.512 -3.792) 8.415 4.220 ( 0.000 -2.386 -0.227) 2.396 4.220 ( 0.000 2.386 -0.227) 2.396 4.324 ( 0.000 -0.579 -3.597) 3.643 4.324 ( 0.000 0.579 -3.597) 3.643 4.621 ( 0.000 -3.351 1.065) 3.516 4.621 ( 0.000 3.351 1.065) 3.516 4.656 ( 0.000 -2.932 5.545) 6.272 4.656 ( 0.000 2.932 5.545) 6.272 4.801 ( 0.000 -4.281 3.205) 5.348 4.801 ( 0.000 4.281 3.205) 5.348 4.929 ( 0.000 -4.296 -3.879) 5.789 4.929 ( 0.000 4.296 -3.879) 5.789 4.978 ( 0.000 -1.178 -3.877) 4.052 4.978 ( 0.000 1.178 -3.877) 4.052 5.108 ( 0.000 -6.429 1.624) 6.631 5.108 ( 0.000 6.429 1.624) 6.631 5.367 ( 0.000 -4.101 -2.951) 5.052 5.367 ( 0.000 4.101 -2.951) 5.052 5.446 ( 0.000 -1.938 -0.169) 1.945 5.446 ( 0.000 1.938 -0.169) 1.945 5.638 ( 0.000 -1.472 1.215) 1.909 5.638 ( 0.000 1.472 1.215) 1.909 5.777 ( 0.000 -4.175 3.602) 5.514 5.777 ( 0.000 4.175 3.602) 5.514 5.915 ( 0.000 -1.910 -2.053) 2.804 5.915 ( 0.000 1.910 -2.053) 2.804 6.092 ( 0.000 -0.456 -1.418) 1.489 6.092 ( 0.000 0.456 -1.418) 1.489 6.311 ( 0.000 -1.578 5.602) 5.820 6.311 ( 0.000 1.578 5.602) 5.820 6.639 ( 0.000 -0.747 -0.123) 0.758 6.639 ( 0.000 0.747 -0.123) 0.758 7.046 ( 0.000 -1.300 1.178) 1.754 7.046 ( 0.000 1.300 1.178) 1.754 7.308 ( 0.000 -1.078 0.766) 1.322 7.308 ( 0.000 1.078 0.766) 1.322 7.399 ( 0.000 -2.650 -3.089) 4.070 7.399 ( 0.000 2.650 -3.089) 4.070 7.590 ( 0.000 -1.316 -1.914) 2.323 7.590 ( 0.000 1.316 -1.914) 2.323 ======================= Grid point 86 (34/48) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.323 -8.383 4.561) 10.105 0.785 ( 3.323 8.383 4.561) 10.105 0.864 ( -3.071 -6.763 8.275) 11.120 0.864 ( -3.071 6.763 8.275) 11.120 1.090 ( -0.610 -2.426 -1.069) 2.720 1.090 ( -0.610 2.426 -1.069) 2.720 1.257 ( 2.001 -2.377 3.578) 4.738 1.257 ( 2.001 2.377 3.578) 4.738 1.364 ( 3.546 -1.804 -1.983) 4.445 1.364 ( 3.546 1.804 -1.983) 4.445 1.419 ( 1.894 -4.016 1.567) 4.709 1.419 ( 1.894 4.016 1.567) 4.709 1.574 ( -2.627 -2.397 -1.656) 3.923 1.574 ( -2.627 2.397 -1.656) 3.923 1.596 ( 0.159 -1.976 9.345) 9.553 1.596 ( 0.159 1.976 9.345) 9.553 1.683 ( -5.392 -4.283 1.854) 7.132 1.683 ( -5.392 4.283 1.854) 7.132 1.793 ( 5.161 -2.648 1.883) 6.099 1.793 ( 5.161 2.648 1.883) 6.099 1.886 ( -0.183 -3.067 0.242) 3.082 1.886 ( -0.183 3.067 0.242) 3.082 2.027 ( -0.470 -0.708 -1.570) 1.785 2.027 ( -0.470 0.708 -1.570) 1.785 2.096 ( -0.577 -3.230 -1.029) 3.438 2.096 ( -0.577 3.230 -1.029) 3.438 2.160 ( 1.325 -3.008 -2.751) 4.286 2.160 ( 1.325 3.008 -2.751) 4.286 2.289 ( 2.243 -0.874 -3.322) 4.102 2.289 ( 2.243 0.874 -3.322) 4.102 2.391 ( 2.093 -4.446 1.932) 5.280 2.391 ( 2.093 4.446 1.932) 5.280 2.457 ( 1.239 -2.162 1.146) 2.742 2.457 ( 1.239 2.162 1.146) 2.742 2.685 ( 0.079 -3.946 3.205) 5.084 2.685 ( 0.079 3.946 3.205) 5.084 2.805 ( 0.069 -5.123 -5.121) 7.243 2.805 ( 0.069 5.123 -5.121) 7.243 2.959 ( -1.099 -2.371 5.691) 6.262 2.959 ( -1.099 2.371 5.691) 6.262 3.191 ( 1.267 -6.104 0.399) 6.247 3.191 ( 1.267 6.104 0.399) 6.247 3.332 ( 0.046 -2.499 2.752) 3.717 3.332 ( 0.046 2.499 2.752) 3.717 3.426 ( -6.710 -1.746 3.426) 7.734 3.426 ( -6.710 1.746 3.426) 7.734 3.549 ( -1.443 -4.453 -4.827) 6.724 3.549 ( -1.443 4.453 -4.827) 6.724 3.680 ( 1.793 -7.923 -3.158) 8.716 3.680 ( 1.793 7.923 -3.158) 8.716 3.759 ( -2.625 -6.547 -1.745) 7.267 3.759 ( -2.625 6.547 -1.745) 7.267 3.950 ( -0.174 -1.997 0.955) 2.220 3.950 ( -0.174 1.997 0.955) 2.220 4.160 ( 1.407 -3.979 -2.786) 5.057 4.160 ( 1.407 3.979 -2.786) 5.057 4.227 ( 1.168 -2.442 -1.298) 3.002 4.227 ( 1.168 2.442 -1.298) 3.002 4.321 ( 0.087 -3.536 -4.823) 5.981 4.321 ( 0.087 3.536 -4.823) 5.981 4.577 ( -3.432 -2.865 3.132) 5.458 4.577 ( -3.432 2.865 3.132) 5.458 4.650 ( -0.598 -1.634 3.102) 3.557 4.650 ( -0.598 1.634 3.102) 3.557 4.808 ( 0.040 -3.166 1.439) 3.478 4.808 ( 0.040 3.166 1.439) 3.478 4.916 ( -0.536 -4.138 -1.298) 4.370 4.916 ( -0.536 4.138 -1.298) 4.370 5.020 ( 2.939 -2.544 -3.093) 4.968 5.020 ( 2.939 2.544 -3.093) 4.968 5.139 ( 2.788 -5.456 0.215) 6.130 5.139 ( 2.788 5.456 0.215) 6.130 5.337 ( -2.874 -1.599 0.391) 3.312 5.337 ( -2.874 1.599 0.391) 3.312 5.422 ( -1.173 -2.868 -1.871) 3.619 5.422 ( -1.173 2.868 -1.871) 3.619 5.666 ( 2.278 -2.753 -0.634) 3.629 5.666 ( 2.278 2.753 -0.634) 3.629 5.775 ( 0.410 -3.699 2.181) 4.313 5.775 ( 0.410 3.699 2.181) 4.313 5.876 ( -2.692 -2.741 -1.208) 4.027 5.876 ( -2.692 2.741 -1.208) 4.027 6.128 ( 1.946 -0.181 0.040) 1.954 6.128 ( 1.946 0.181 0.040) 1.954 6.280 ( -3.027 -1.376 5.347) 6.296 6.280 ( -3.027 1.376 5.347) 6.296 6.485 ( -12.024 -2.203 -0.257) 12.227 6.485 ( -12.024 2.203 -0.257) 12.227 7.022 ( -0.731 -2.369 1.509) 2.902 7.022 ( -0.731 2.369 1.509) 2.902 7.309 ( 0.483 -0.934 1.473) 1.810 7.309 ( 0.483 0.934 1.473) 1.810 7.469 ( 2.128 -4.344 -2.198) 5.313 7.469 ( 2.128 4.344 -2.198) 5.313 7.682 ( 8.598 -1.226 -3.873) 9.509 7.682 ( 8.598 1.226 -3.873) 9.509 ======================= Grid point 88 (35/48) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 2.808 -4.376 9.997) 11.268 0.810 ( 2.808 4.376 9.997) 11.268 0.910 ( 3.367 -3.456 -0.289) 4.834 0.910 ( 3.367 3.456 -0.289) 4.834 1.104 ( 2.775 -2.995 0.030) 4.083 1.104 ( 2.775 2.995 0.030) 4.083 1.273 ( -5.073 -3.104 1.799) 6.213 1.273 ( -5.073 3.104 1.799) 6.213 1.310 ( -2.933 -1.209 1.622) 3.564 1.310 ( -2.933 1.209 1.622) 3.564 1.452 ( -3.264 -0.162 4.755) 5.770 1.452 ( -3.264 0.162 4.755) 5.770 1.526 ( 1.666 -3.343 0.608) 3.785 1.526 ( 1.666 3.343 0.608) 3.785 1.582 ( 0.276 -0.503 2.285) 2.356 1.582 ( 0.276 0.503 2.285) 2.356 1.677 ( 2.152 -3.625 -2.309) 4.807 1.677 ( 2.152 3.625 -2.309) 4.807 1.852 ( 0.643 -2.714 -0.529) 2.839 1.852 ( 0.643 2.714 -0.529) 2.839 1.917 ( 2.524 -2.141 -0.025) 3.310 1.917 ( 2.524 2.141 -0.025) 3.310 2.017 ( -0.529 -2.371 0.552) 2.491 2.017 ( -0.529 2.371 0.552) 2.491 2.091 ( 0.165 -1.713 -0.707) 1.861 2.091 ( 0.165 1.713 -0.707) 1.861 2.193 ( 1.079 -1.782 0.788) 2.227 2.193 ( 1.079 1.782 0.788) 2.227 2.346 ( 3.407 -1.984 0.318) 3.955 2.346 ( 3.407 1.984 0.318) 3.955 2.447 ( 2.943 -1.781 -0.557) 3.484 2.447 ( 2.943 1.781 -0.557) 3.484 2.482 ( 1.112 -2.712 2.119) 3.617 2.482 ( 1.112 2.712 2.119) 3.617 2.679 ( -0.152 -2.004 -2.129) 2.927 2.679 ( -0.152 2.004 -2.129) 2.927 2.820 ( 0.678 -2.366 -2.118) 3.247 2.820 ( 0.678 2.366 -2.118) 3.247 2.927 ( -1.375 -2.904 -0.869) 3.329 2.927 ( -1.375 2.904 -0.869) 3.329 3.173 ( -3.894 -1.308 3.297) 5.268 3.173 ( -3.894 1.308 3.297) 5.268 3.269 ( -3.688 -2.709 5.039) 6.806 3.269 ( -3.688 2.709 5.039) 6.806 3.359 ( -1.223 -2.820 8.641) 9.171 3.359 ( -1.223 2.820 8.641) 9.171 3.535 ( 1.418 -5.993 -1.743) 6.401 3.535 ( 1.418 5.993 -1.743) 6.401 3.687 ( -3.271 -8.533 2.779) 9.551 3.687 ( -3.271 8.533 2.779) 9.551 3.765 ( 4.492 -8.813 -6.762) 11.982 3.765 ( 4.492 8.813 -6.762) 11.982 3.939 ( -0.066 -3.890 -0.303) 3.902 3.939 ( -0.066 3.890 -0.303) 3.902 4.124 ( -4.327 -4.810 -0.773) 6.516 4.124 ( -4.327 4.810 -0.773) 6.516 4.267 ( 1.487 -2.161 -1.283) 2.920 4.267 ( 1.487 2.161 -1.283) 2.920 4.351 ( 2.909 -6.454 -9.318) 11.702 4.351 ( 2.909 6.454 -9.318) 11.702 4.502 ( -3.504 -3.272 3.587) 5.988 4.502 ( -3.504 3.272 3.587) 5.988 4.645 ( 0.479 -1.392 -0.518) 1.560 4.645 ( 0.479 1.392 -0.518) 1.560 4.787 ( -2.003 -2.970 -0.169) 3.586 4.787 ( -2.003 2.970 -0.169) 3.586 4.906 ( -0.477 -2.029 3.191) 3.812 4.906 ( -0.477 2.029 3.191) 3.812 5.089 ( 3.581 -3.274 -0.998) 4.954 5.089 ( 3.581 3.274 -0.998) 4.954 5.187 ( 0.640 -4.676 -1.002) 4.824 5.187 ( 0.640 4.676 -1.002) 4.824 5.287 ( -0.872 -0.798 1.096) 1.612 5.287 ( -0.872 0.798 1.096) 1.612 5.413 ( 0.005 -2.125 -2.657) 3.402 5.413 ( 0.005 2.125 -2.657) 3.402 5.713 ( 2.087 -2.568 -4.087) 5.259 5.713 ( 2.087 2.568 -4.087) 5.259 5.805 ( -0.331 -3.491 1.203) 3.707 5.805 ( -0.331 3.491 1.203) 3.707 5.839 ( 2.336 -2.525 -0.555) 3.484 5.839 ( 2.336 2.525 -0.555) 3.484 6.122 ( -4.227 -1.060 2.807) 5.183 6.122 ( -4.227 1.060 2.807) 5.183 6.201 ( -3.047 -0.874 2.671) 4.145 6.201 ( -3.047 0.874 2.671) 4.145 6.263 ( -7.408 -1.167 2.355) 7.861 6.263 ( -7.408 1.167 2.355) 7.861 7.023 ( 0.448 -0.670 0.503) 0.950 7.023 ( 0.448 0.670 0.503) 0.950 7.308 ( -0.546 -2.971 -0.449) 3.054 7.308 ( -0.546 2.971 -0.449) 3.054 7.496 ( 1.113 -4.357 1.915) 4.888 7.496 ( 1.113 4.357 1.915) 4.888 7.846 ( 5.883 -0.097 -5.103) 7.788 7.846 ( 5.883 0.097 -5.103) 7.788 ======================= Grid point 90 (36/48) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 1.134) 1.134 0.882 ( 0.000 0.000 1.134) 1.134 0.950 ( 0.000 -0.000 5.807) 5.807 0.950 ( 0.000 0.000 5.807) 5.807 1.108 ( -0.000 0.000 -4.241) 4.241 1.108 ( 0.000 0.000 -4.241) 4.241 1.187 ( -0.000 -0.000 2.047) 2.047 1.187 ( 0.000 0.000 2.047) 2.047 1.342 ( 0.000 -0.000 5.827) 5.827 1.342 ( 0.000 0.000 5.827) 5.827 1.347 ( -0.000 -0.000 5.137) 5.137 1.347 ( -0.000 0.000 5.137) 5.137 1.555 ( -0.000 0.000 3.139) 3.139 1.555 ( 0.000 0.000 3.139) 3.139 1.600 ( 0.000 -0.000 0.466) 0.466 1.600 ( 0.000 0.000 0.466) 0.466 1.699 ( 0.000 -0.000 -3.940) 3.940 1.699 ( 0.000 0.000 -3.940) 3.940 1.870 ( 0.000 0.000 -1.227) 1.227 1.870 ( 0.000 0.000 -1.227) 1.227 1.934 ( 0.000 -0.000 -0.637) 0.637 1.934 ( 0.000 0.000 -0.637) 0.637 2.005 ( 0.000 -0.000 1.279) 1.279 2.005 ( -0.000 0.000 1.279) 1.279 2.098 ( 0.000 -0.000 -1.306) 1.306 2.098 ( 0.000 0.000 -1.306) 1.306 2.209 ( -0.000 -0.000 1.102) 1.102 2.209 ( 0.000 0.000 1.102) 1.102 2.377 ( 0.000 -0.000 1.945) 1.945 2.377 ( 0.000 0.000 1.945) 1.945 2.473 ( 0.000 -0.000 0.079) 0.079 2.473 ( 0.000 0.000 0.079) 0.079 2.510 ( 0.000 0.000 0.886) 0.886 2.510 ( 0.000 0.000 0.886) 0.886 2.700 ( -0.000 -0.000 -0.491) 0.491 2.700 ( -0.000 0.000 -0.491) 0.491 2.806 ( 0.000 0.000 -5.333) 5.333 2.806 ( 0.000 0.000 -5.333) 5.333 2.925 ( -0.000 -0.000 -4.493) 4.493 2.925 ( -0.000 0.000 -4.493) 4.493 3.097 ( 0.000 0.000 6.549) 6.549 3.097 ( 0.000 0.000 6.549) 6.549 3.248 ( -0.000 -0.000 6.854) 6.854 3.248 ( -0.000 0.000 6.854) 6.854 3.328 ( 0.000 -0.000 7.520) 7.520 3.328 ( 0.000 0.000 7.520) 7.520 3.594 ( -0.000 -0.000 0.711) 0.711 3.594 ( -0.000 0.000 0.711) 0.711 3.618 ( 0.000 -0.000 5.364) 5.364 3.618 ( 0.000 0.000 5.364) 5.364 3.819 ( 0.000 -0.000 -5.564) 5.564 3.819 ( 0.000 0.000 -5.564) 5.564 3.976 ( 0.000 0.000 -0.619) 0.619 3.976 ( 0.000 0.000 -0.619) 0.619 4.033 ( 0.000 -0.000 -2.573) 2.573 4.033 ( -0.000 0.000 -2.573) 2.573 4.282 ( 0.000 -0.000 -1.164) 1.164 4.282 ( 0.000 0.000 -1.164) 1.164 4.401 ( 0.000 -0.000 -12.346) 12.346 4.401 ( 0.000 0.000 -12.346) 12.346 4.450 ( -0.000 -0.000 5.447) 5.447 4.450 ( 0.000 0.000 5.447) 5.447 4.661 ( 0.000 0.000 -5.251) 5.251 4.661 ( 0.000 0.000 -5.251) 5.251 4.753 ( -0.000 0.000 2.795) 2.795 4.753 ( 0.000 0.000 2.795) 2.795 4.900 ( 0.000 0.000 4.563) 4.563 4.900 ( 0.000 0.000 4.563) 4.563 5.144 ( 0.000 -0.000 7.788) 7.788 5.144 ( 0.000 0.000 7.788) 7.788 5.172 ( 0.000 -0.000 -8.815) 8.815 5.172 ( 0.000 0.000 -8.815) 8.815 5.289 ( 0.000 -0.000 -0.052) 0.052 5.289 ( 0.000 0.000 -0.052) 0.052 5.414 ( 0.000 0.000 -2.296) 2.296 5.414 ( 0.000 0.000 -2.296) 2.296 5.752 ( 0.000 -0.000 -8.904) 8.904 5.752 ( -0.000 0.000 -8.904) 8.904 5.768 ( 0.000 -0.000 3.080) 3.080 5.768 ( 0.000 0.000 3.080) 3.080 5.931 ( 0.000 0.000 -1.330) 1.330 5.931 ( 0.000 0.000 -1.330) 1.330 6.007 ( -0.000 -0.000 3.025) 3.025 6.007 ( -0.000 0.000 3.025) 3.025 6.172 ( 0.000 0.000 3.669) 3.669 6.172 ( 0.000 0.000 3.669) 3.669 6.197 ( 0.000 0.000 4.540) 4.540 6.197 ( 0.000 0.000 4.540) 4.540 7.029 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 -1.949) 1.949 7.300 ( 0.000 0.000 -1.949) 1.949 7.510 ( 0.000 -0.000 3.953) 3.953 7.510 ( 0.000 0.000 3.953) 3.953 7.907 ( 0.000 -0.000 -5.013) 5.013 7.907 ( 0.000 0.000 -5.013) 5.013 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 -6.981) 6.981 0.882 ( 0.000 0.000 6.981) 6.981 1.003 ( 0.000 0.000 -12.240) 12.240 1.003 ( 0.000 0.000 12.240) 12.240 1.174 ( 0.000 0.000 -2.906) 2.906 1.174 ( 0.000 0.000 2.906) 2.906 1.261 ( 0.000 0.000 -0.406) 0.406 1.261 ( 0.000 0.000 0.406) 0.406 1.398 ( 0.000 0.000 -0.093) 0.093 1.398 ( 0.000 0.000 0.093) 0.093 1.425 ( 0.000 0.000 -6.073) 6.073 1.425 ( 0.000 0.000 6.073) 6.073 1.520 ( 0.000 0.000 -0.156) 0.156 1.520 ( 0.000 0.000 0.156) 0.156 1.584 ( 0.000 0.000 -2.845) 2.845 1.584 ( 0.000 0.000 2.845) 2.845 1.697 ( 0.000 0.000 -4.475) 4.475 1.697 ( 0.000 0.000 4.475) 4.475 1.811 ( 0.000 0.000 -17.372) 17.372 1.811 ( 0.000 0.000 17.372) 17.372 1.895 ( 0.000 0.000 -1.297) 1.297 1.895 ( 0.000 0.000 1.297) 1.297 1.944 ( 0.000 0.000 -10.391) 10.391 1.944 ( 0.000 0.000 10.391) 10.391 1.998 ( 0.000 0.000 -4.759) 4.759 1.998 ( 0.000 0.000 4.759) 4.759 2.164 ( 0.000 0.000 -0.805) 0.805 2.164 ( 0.000 0.000 0.805) 0.805 2.200 ( 0.000 0.000 -2.141) 2.141 2.200 ( 0.000 0.000 2.141) 2.141 2.297 ( 0.000 0.000 -6.018) 6.018 2.297 ( 0.000 0.000 6.018) 6.018 2.341 ( 0.000 0.000 -0.451) 0.451 2.341 ( 0.000 0.000 0.451) 0.451 2.826 ( 0.000 0.000 -5.262) 5.262 2.826 ( 0.000 0.000 5.262) 5.262 2.890 ( 0.000 0.000 -6.998) 6.998 2.890 ( 0.000 0.000 6.998) 6.998 3.079 ( 0.000 0.000 -3.642) 3.642 3.079 ( 0.000 0.000 3.642) 3.642 3.165 ( 0.000 0.000 -4.022) 4.022 3.165 ( 0.000 0.000 4.022) 4.022 3.362 ( 0.000 0.000 -17.867) 17.867 3.362 ( 0.000 0.000 17.867) 17.867 3.508 ( 0.000 0.000 -4.717) 4.717 3.508 ( 0.000 0.000 4.717) 4.717 3.542 ( 0.000 0.000 -6.570) 6.570 3.542 ( 0.000 0.000 6.570) 6.570 3.699 ( 0.000 0.000 -0.029) 0.029 3.699 ( 0.000 0.000 0.029) 0.029 3.849 ( 0.000 0.000 -7.198) 7.198 3.849 ( 0.000 0.000 7.198) 7.198 3.911 ( 0.000 0.000 -1.847) 1.847 3.911 ( 0.000 0.000 1.847) 1.847 4.078 ( 0.000 0.000 -4.475) 4.475 4.078 ( 0.000 0.000 4.475) 4.475 4.134 ( 0.000 0.000 -2.762) 2.762 4.134 ( 0.000 0.000 2.762) 2.762 4.346 ( 0.000 0.000 -4.109) 4.109 4.346 ( 0.000 0.000 4.109) 4.109 4.608 ( 0.000 0.000 -5.398) 5.398 4.608 ( 0.000 0.000 5.398) 5.398 4.709 ( 0.000 0.000 -3.453) 3.453 4.709 ( 0.000 0.000 3.453) 3.453 4.812 ( 0.000 0.000 -8.807) 8.807 4.812 ( 0.000 0.000 8.807) 8.807 4.846 ( 0.000 0.000 -4.946) 4.946 4.846 ( 0.000 0.000 4.946) 4.946 4.952 ( 0.000 0.000 -0.693) 0.693 4.952 ( 0.000 0.000 0.693) 0.693 5.071 ( 0.000 0.000 -6.065) 6.065 5.071 ( 0.000 0.000 6.065) 6.065 5.396 ( 0.000 0.000 -6.848) 6.848 5.396 ( 0.000 0.000 6.848) 6.848 5.400 ( 0.000 0.000 -1.210) 1.210 5.400 ( 0.000 0.000 1.210) 1.210 5.718 ( 0.000 0.000 -0.853) 0.853 5.718 ( 0.000 0.000 0.853) 0.853 5.756 ( 0.000 0.000 -4.913) 4.913 5.756 ( 0.000 0.000 4.913) 4.913 5.982 ( 0.000 0.000 -1.564) 1.564 5.982 ( 0.000 0.000 1.564) 1.564 6.020 ( 0.000 0.000 -1.551) 1.551 6.020 ( 0.000 0.000 1.551) 1.551 6.371 ( 0.000 0.000 -4.207) 4.207 6.371 ( 0.000 0.000 4.207) 4.207 6.845 ( 0.000 0.000 -6.231) 6.231 6.845 ( 0.000 0.000 6.231) 6.231 6.997 ( 0.000 0.000 -5.737) 5.737 6.997 ( 0.000 0.000 5.737) 5.737 7.173 ( 0.000 0.000 -2.559) 2.559 7.173 ( 0.000 0.000 2.559) 2.559 7.336 ( 0.000 0.000 -0.380) 0.380 7.336 ( 0.000 0.000 0.380) 0.380 7.640 ( 0.000 0.000 -0.643) 0.643 7.640 ( 0.000 0.000 0.643) 0.643 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.686 0.000 -2.006) 2.120 0.902 ( 0.686 0.000 2.006) 2.120 0.990 ( 0.405 0.000 -8.414) 8.423 0.990 ( 0.405 0.000 8.414) 8.423 1.203 ( 0.838 0.000 -0.113) 0.846 1.203 ( 0.838 0.000 0.113) 0.846 1.287 ( 1.130 0.000 -0.001) 1.130 1.287 ( 1.130 0.000 0.001) 1.130 1.346 ( -2.577 0.000 -0.021) 2.577 1.346 ( -2.577 0.000 0.021) 2.577 1.387 ( -0.897 0.000 -1.315) 1.592 1.387 ( -0.897 0.000 1.315) 1.592 1.533 ( 0.844 0.000 -2.899) 3.020 1.533 ( 0.844 0.000 2.899) 3.020 1.633 ( 1.693 0.000 -1.468) 2.241 1.633 ( 1.693 0.000 1.468) 2.241 1.702 ( -0.254 0.000 -4.671) 4.678 1.702 ( -0.254 0.000 4.671) 4.678 1.791 ( -0.949 0.000 -6.011) 6.086 1.791 ( -0.949 0.000 6.011) 6.086 1.890 ( 0.938 0.000 -1.237) 1.553 1.890 ( 0.938 0.000 1.237) 1.553 1.931 ( -0.283 0.000 -3.664) 3.675 1.931 ( -0.283 0.000 3.664) 3.675 2.024 ( 0.573 0.000 -6.153) 6.180 2.024 ( 0.573 0.000 6.153) 6.180 2.185 ( 2.615 0.000 -0.095) 2.617 2.185 ( 2.615 0.000 0.095) 2.617 2.275 ( 5.691 0.000 -0.638) 5.727 2.275 ( 5.691 0.000 0.638) 5.727 2.320 ( 2.367 0.000 -3.115) 3.912 2.320 ( 2.367 0.000 3.115) 3.912 2.375 ( 3.345 0.000 -1.756) 3.778 2.375 ( 3.345 0.000 1.756) 3.778 2.806 ( -5.404 0.000 -7.776) 9.469 2.806 ( -5.404 0.000 7.776) 9.469 2.852 ( 0.209 0.000 -4.382) 4.387 2.852 ( 0.209 0.000 4.382) 4.387 3.039 ( -4.335 0.000 -2.111) 4.822 3.039 ( -4.335 0.000 2.111) 4.822 3.158 ( 0.102 0.000 -0.134) 0.169 3.158 ( 0.102 0.000 0.134) 0.169 3.339 ( -2.034 0.000 -9.649) 9.861 3.339 ( -2.034 0.000 9.649) 9.861 3.455 ( -2.592 0.000 -4.224) 4.956 3.455 ( -2.592 0.000 4.224) 4.956 3.529 ( -2.500 0.000 -7.858) 8.246 3.529 ( -2.500 0.000 7.858) 8.246 3.705 ( -1.960 0.000 -0.972) 2.188 3.705 ( -1.960 0.000 0.972) 2.188 3.858 ( 2.176 0.000 -2.395) 3.236 3.858 ( 2.176 0.000 2.395) 3.236 3.937 ( 1.417 0.000 -4.544) 4.760 3.937 ( 1.417 0.000 4.544) 4.760 4.030 ( -1.109 0.000 -1.125) 1.580 4.030 ( -1.109 0.000 1.125) 1.580 4.195 ( 3.631 0.000 -1.058) 3.783 4.195 ( 3.631 0.000 1.058) 3.783 4.348 ( 0.435 0.000 -2.864) 2.897 4.348 ( 0.435 0.000 2.864) 2.897 4.585 ( -1.512 0.000 -3.512) 3.823 4.585 ( -1.512 0.000 3.512) 3.823 4.697 ( -1.213 0.000 -2.590) 2.860 4.697 ( -1.213 0.000 2.590) 2.860 4.824 ( 0.427 0.000 -0.106) 0.440 4.824 ( 0.427 0.000 0.106) 0.440 4.874 ( 2.591 0.000 -0.498) 2.638 4.874 ( 2.591 0.000 0.498) 2.638 5.000 ( 4.094 0.000 -0.345) 4.108 5.000 ( 4.094 0.000 0.345) 4.108 5.063 ( -0.292 0.000 -4.602) 4.612 5.063 ( -0.292 0.000 4.602) 4.612 5.354 ( -3.298 0.000 -2.999) 4.458 5.354 ( -3.298 0.000 2.999) 4.458 5.388 ( -1.452 0.000 -1.884) 2.378 5.388 ( -1.452 0.000 1.884) 2.378 5.712 ( -1.585 0.000 -0.739) 1.749 5.712 ( -1.585 0.000 0.739) 1.749 5.740 ( 0.086 0.000 -2.800) 2.802 5.740 ( 0.086 0.000 2.800) 2.802 5.986 ( -0.179 0.000 -1.285) 1.298 5.986 ( -0.179 0.000 1.285) 1.298 6.043 ( 2.054 0.000 -1.160) 2.359 6.043 ( 2.054 0.000 1.160) 2.359 6.343 ( -2.570 0.000 -3.514) 4.354 6.343 ( -2.570 0.000 3.514) 4.354 6.506 ( -18.128 0.000 -1.106) 18.161 6.506 ( -18.128 0.000 1.106) 18.161 7.119 ( -2.943 0.000 -0.095) 2.944 7.119 ( -2.943 0.000 0.095) 2.944 7.286 ( 10.986 0.000 -5.639) 12.349 7.286 ( 10.986 0.000 5.639) 12.349 7.372 ( 3.636 0.000 -1.569) 3.961 7.372 ( 3.636 0.000 1.569) 3.961 7.675 ( 3.382 0.000 -1.776) 3.820 7.675 ( 3.382 0.000 1.776) 3.820 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -1.821 0.000 -5.432) 5.729 0.878 ( -1.821 0.000 5.432) 5.729 1.054 ( 4.004 0.000 -1.296) 4.209 1.054 ( 4.004 0.000 1.296) 4.209 1.164 ( -2.088 0.000 -2.717) 3.426 1.164 ( -2.088 0.000 2.717) 3.426 1.297 ( -0.206 0.000 -1.677) 1.690 1.297 ( -0.206 0.000 1.677) 1.690 1.344 ( 1.245 0.000 -0.103) 1.250 1.344 ( 1.245 0.000 0.103) 1.250 1.402 ( 0.758 0.000 -1.792) 1.946 1.402 ( 0.758 0.000 1.792) 1.946 1.514 ( -2.794 0.000 -0.908) 2.938 1.514 ( -2.794 0.000 0.908) 2.938 1.648 ( 0.576 0.000 -0.015) 0.576 1.648 ( 0.576 0.000 0.015) 0.576 1.677 ( -0.977 0.000 -0.445) 1.073 1.677 ( -0.977 0.000 0.445) 1.073 1.804 ( 1.393 0.000 -1.298) 1.904 1.804 ( 1.393 0.000 1.298) 1.904 1.922 ( 1.736 0.000 -5.933) 6.181 1.922 ( 1.736 0.000 5.933) 6.181 1.960 ( 2.302 0.000 -6.202) 6.616 1.960 ( 2.302 0.000 6.202) 6.616 2.007 ( -1.518 0.000 -5.105) 5.326 2.007 ( -1.518 0.000 5.105) 5.326 2.260 ( 4.334 0.000 -1.331) 4.534 2.260 ( 4.334 0.000 1.331) 4.534 2.353 ( 1.388 0.000 -0.278) 1.416 2.353 ( 1.388 0.000 0.278) 1.416 2.382 ( 2.966 0.000 -0.056) 2.966 2.382 ( 2.966 0.000 0.056) 2.966 2.513 ( 8.993 0.000 -4.863) 10.223 2.513 ( 8.993 0.000 4.863) 10.223 2.648 ( -8.396 0.000 -6.823) 10.819 2.648 ( -8.396 0.000 6.823) 10.819 2.863 ( -0.188 0.000 -3.208) 3.213 2.863 ( -0.188 0.000 3.208) 3.213 2.939 ( -4.608 0.000 -0.064) 4.608 2.939 ( -4.608 0.000 0.064) 4.608 3.139 ( -2.158 0.000 -0.602) 2.240 3.139 ( -2.158 0.000 0.602) 2.240 3.321 ( 0.928 0.000 -0.067) 0.930 3.321 ( 0.928 0.000 0.067) 0.930 3.430 ( 0.064 0.000 -7.726) 7.726 3.430 ( 0.064 0.000 7.726) 7.726 3.458 ( -3.143 0.000 -6.485) 7.207 3.458 ( -3.143 0.000 6.485) 7.207 3.618 ( -5.029 0.000 -0.361) 5.042 3.618 ( -5.029 0.000 0.361) 5.042 3.877 ( -1.570 0.000 -6.372) 6.563 3.877 ( -1.570 0.000 6.372) 6.563 3.972 ( 2.031 0.000 -0.057) 2.032 3.972 ( 2.031 0.000 0.057) 2.032 4.059 ( 3.034 0.000 -2.775) 4.112 4.059 ( 3.034 0.000 2.775) 4.112 4.268 ( 2.933 0.000 -0.009) 2.934 4.268 ( 2.933 0.000 0.009) 2.934 4.370 ( 1.631 0.000 -0.234) 1.647 4.370 ( 1.631 0.000 0.234) 1.647 4.563 ( -0.587 0.000 -1.384) 1.503 4.563 ( -0.587 0.000 1.384) 1.503 4.663 ( -1.814 0.000 -0.817) 1.990 4.663 ( -1.814 0.000 0.817) 1.990 4.835 ( 0.934 0.000 -3.285) 3.416 4.835 ( 0.934 0.000 3.285) 3.416 4.901 ( -0.587 0.000 -0.521) 0.785 4.901 ( -0.587 0.000 0.521) 0.785 5.078 ( 2.766 0.000 -5.890) 6.508 5.078 ( 2.766 0.000 5.890) 6.508 5.102 ( 4.088 0.000 -4.337) 5.960 5.102 ( 4.088 0.000 4.337) 5.960 5.278 ( -3.557 0.000 -2.476) 4.334 5.278 ( -3.557 0.000 2.476) 4.334 5.350 ( -1.948 0.000 -0.356) 1.980 5.350 ( -1.948 0.000 0.356) 1.980 5.669 ( -1.856 0.000 -0.020) 1.857 5.669 ( -1.856 0.000 0.020) 1.857 5.757 ( 0.888 0.000 -1.149) 1.452 5.757 ( 0.888 0.000 1.149) 1.452 5.968 ( -1.254 0.000 -0.417) 1.321 5.968 ( -1.254 0.000 0.417) 1.321 6.082 ( 0.419 0.000 -1.093) 1.171 6.082 ( 0.419 0.000 1.093) 1.171 6.203 ( -9.285 0.000 -0.000) 9.285 6.203 ( -9.285 0.000 0.000) 9.285 6.279 ( -3.216 0.000 -1.002) 3.369 6.279 ( -3.216 0.000 1.002) 3.369 7.077 ( -0.993 0.000 -0.078) 0.996 7.077 ( -0.993 0.000 0.078) 0.996 7.318 ( -1.699 0.000 -0.347) 1.734 7.318 ( -1.699 0.000 0.347) 1.734 7.538 ( 6.831 0.000 -7.246) 9.959 7.538 ( 6.831 0.000 7.246) 9.959 7.758 ( 3.720 0.000 -2.383) 4.418 7.758 ( 3.720 0.000 2.383) 4.418 ======================= Grid point 111 (40/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.161 ( 0.000 0.000 -0.000) 0.000 1.161 ( 0.000 0.000 -0.000) 0.000 1.293 ( 0.000 0.000 -0.000) 0.000 1.293 ( 0.000 0.000 -0.000) 0.000 1.370 ( 0.000 0.000 -0.000) 0.000 1.370 ( 0.000 0.000 -0.000) 0.000 1.396 ( -0.000 0.000 0.000) 0.000 1.396 ( -0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.467 ( -0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 -0.000) 0.000 1.673 ( 0.000 0.000 -0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.945 ( -0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 1.980 ( -0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 -0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.521 ( -0.000 0.000 0.000) 0.000 2.521 ( -0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 -0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.855 ( -0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.110 ( -0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 -0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 -0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.547 ( -0.000 0.000 -0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 -0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 -0.000) 0.000 4.395 ( 0.000 0.000 -0.000) 0.000 4.557 ( 0.000 0.000 -0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.863 ( -0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.872 ( -0.000 0.000 -0.000) 0.000 4.872 ( 0.000 0.000 -0.000) 0.000 5.134 ( -0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.134 ( -0.000 0.000 -0.000) 0.000 5.134 ( 0.000 0.000 -0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.954 ( -0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 -0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.295 ( 0.000 0.000 -0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 -0.000) 0.000 7.800 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 -4.050 -8.439) 9.360 0.849 ( 0.000 -4.050 8.439) 9.360 1.046 ( 0.000 -1.878 -8.218) 8.430 1.046 ( 0.000 -1.878 8.218) 8.430 1.063 ( 0.000 -0.073 -2.757) 2.758 1.063 ( 0.000 -0.073 2.757) 2.758 1.268 ( 0.000 -4.283 -4.089) 5.921 1.268 ( 0.000 -4.283 4.089) 5.921 1.295 ( 0.000 3.982 -1.384) 4.216 1.295 ( 0.000 3.982 1.384) 4.216 1.429 ( 0.000 -7.385 -1.458) 7.527 1.429 ( 0.000 -7.385 1.458) 7.527 1.554 ( 0.000 2.454 -0.861) 2.601 1.554 ( 0.000 2.454 0.861) 2.601 1.685 ( 0.000 8.692 -3.088) 9.224 1.685 ( 0.000 8.692 3.088) 9.224 1.771 ( 0.000 3.309 -1.161) 3.507 1.771 ( 0.000 3.309 1.161) 3.507 1.837 ( 0.000 1.173 -10.572) 10.637 1.837 ( 0.000 1.173 10.572) 10.637 1.916 ( 0.000 2.058 -6.057) 6.397 1.916 ( 0.000 2.058 6.057) 6.397 1.935 ( 0.000 -0.910 -9.100) 9.145 1.935 ( 0.000 -0.910 9.100) 9.145 2.002 ( 0.000 1.504 -5.401) 5.606 2.002 ( 0.000 1.504 5.401) 5.606 2.112 ( 0.000 -2.683 -0.009) 2.683 2.112 ( 0.000 -2.683 0.009) 2.683 2.206 ( 0.000 -3.351 -0.054) 3.351 2.206 ( 0.000 -3.351 0.054) 3.351 2.323 ( 0.000 6.884 -1.738) 7.100 2.323 ( 0.000 6.884 1.738) 7.100 2.416 ( 0.000 3.662 -5.207) 6.366 2.416 ( 0.000 3.662 5.207) 6.366 2.783 ( 0.000 -8.000 -9.573) 12.476 2.783 ( 0.000 -8.000 9.573) 12.476 2.799 ( 0.000 -3.056 -3.828) 4.898 2.799 ( 0.000 -3.056 3.828) 4.898 3.067 ( 0.000 1.062 -3.382) 3.545 3.067 ( 0.000 1.062 3.382) 3.545 3.206 ( 0.000 1.346 -0.011) 1.346 3.206 ( 0.000 1.346 0.011) 1.346 3.350 ( 0.000 -0.896 -16.833) 16.857 3.350 ( 0.000 -0.896 16.833) 16.857 3.499 ( 0.000 -1.308 -1.782) 2.211 3.499 ( 0.000 -1.308 1.782) 2.211 3.579 ( 0.000 -0.078 -2.961) 2.962 3.579 ( 0.000 -0.078 2.961) 2.962 3.597 ( 0.000 -2.456 -2.379) 3.420 3.597 ( 0.000 -2.456 2.379) 3.420 3.802 ( 0.000 -3.151 -3.770) 4.914 3.802 ( 0.000 -3.151 3.770) 4.914 3.952 ( 0.000 -0.093 -0.813) 0.819 3.952 ( 0.000 -0.093 0.813) 0.819 4.103 ( 0.000 4.336 -5.132) 6.718 4.103 ( 0.000 4.336 5.132) 6.718 4.164 ( 0.000 0.718 -0.012) 0.718 4.164 ( 0.000 0.718 0.012) 0.718 4.313 ( 0.000 -2.319 -1.532) 2.779 4.313 ( 0.000 -2.319 1.532) 2.779 4.619 ( 0.000 0.898 -3.665) 3.773 4.619 ( 0.000 0.898 3.665) 3.773 4.713 ( 0.000 1.133 -2.907) 3.120 4.713 ( 0.000 1.133 2.907) 3.120 4.801 ( 0.000 -1.006 -4.183) 4.302 4.801 ( 0.000 -1.006 4.183) 4.302 4.875 ( 0.000 1.487 -3.155) 3.488 4.875 ( 0.000 1.487 3.155) 3.488 4.967 ( 0.000 -0.432 -0.016) 0.432 4.967 ( 0.000 -0.432 0.016) 0.432 5.095 ( 0.000 3.976 -7.880) 8.826 5.095 ( 0.000 3.976 7.880) 8.826 5.358 ( 0.000 -3.354 -6.329) 7.163 5.358 ( 0.000 -3.354 6.329) 7.163 5.417 ( 0.000 0.941 -1.619) 1.872 5.417 ( 0.000 0.941 1.619) 1.872 5.691 ( 0.000 -1.391 -0.237) 1.411 5.691 ( 0.000 -1.391 0.237) 1.411 5.781 ( 0.000 1.822 -3.884) 4.290 5.781 ( 0.000 1.822 3.884) 4.290 5.939 ( 0.000 -2.916 -0.992) 3.081 5.939 ( 0.000 -2.916 0.992) 3.081 6.051 ( 0.000 1.694 -0.080) 1.696 6.051 ( 0.000 1.694 0.080) 1.696 6.373 ( 0.000 0.215 -2.821) 2.829 6.373 ( 0.000 0.215 2.821) 2.829 6.716 ( 0.000 -7.551 -1.274) 7.657 6.716 ( 0.000 -7.551 1.274) 7.657 7.037 ( 0.000 2.238 -2.144) 3.099 7.037 ( 0.000 2.238 2.144) 3.099 7.270 ( 0.000 6.108 -3.018) 6.813 7.270 ( 0.000 6.108 3.018) 6.813 7.334 ( 0.000 -0.232 -0.164) 0.284 7.334 ( 0.000 -0.232 0.164) 0.284 7.609 ( 0.000 -2.559 -0.773) 2.674 7.609 ( 0.000 -2.559 0.773) 2.674 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.729 -3.630 0.000) 4.020 0.909 ( 2.628 -3.364 -0.000) 4.269 0.954 ( -0.796 -0.734 0.000) 1.083 1.051 ( -3.226 3.657 -0.000) 4.876 1.079 ( 0.786 -3.836 -0.000) 3.916 1.110 ( -0.977 -7.358 -0.000) 7.422 1.202 ( 3.572 -2.443 -0.000) 4.328 1.288 ( 0.169 1.129 -0.000) 1.142 1.341 ( 2.191 0.794 0.000) 2.330 1.358 ( 4.894 4.013 -0.000) 6.329 1.424 ( -4.409 1.351 0.000) 4.611 1.493 ( 4.204 -6.486 -0.000) 7.729 1.549 ( 2.807 -5.954 0.000) 6.583 1.555 ( -1.608 2.994 0.000) 3.398 1.580 ( -6.279 6.728 -0.000) 9.203 1.658 ( -2.938 6.405 0.000) 7.047 1.716 ( -2.800 -0.766 0.000) 2.903 1.785 ( 0.837 4.873 0.000) 4.944 1.817 ( -3.134 2.881 -0.000) 4.257 1.838 ( -2.603 -0.990 0.000) 2.785 1.869 ( 0.362 -0.509 -0.000) 0.625 1.876 ( 1.179 -0.274 0.000) 1.210 1.930 ( 2.308 2.916 -0.000) 3.719 2.004 ( 0.710 1.138 0.000) 1.341 2.037 ( 1.486 2.499 0.000) 2.907 2.047 ( 0.059 1.979 -0.000) 1.980 2.138 ( 5.185 -3.497 -0.000) 6.254 2.181 ( 6.290 -3.082 0.000) 7.004 2.256 ( 3.156 -1.427 0.000) 3.464 2.268 ( 2.969 -2.725 0.000) 4.030 2.321 ( 2.513 4.907 -0.000) 5.513 2.361 ( 2.083 4.337 0.000) 4.812 2.412 ( 2.066 5.035 -0.000) 5.442 2.451 ( 2.062 3.765 0.000) 4.292 2.705 ( -4.920 -6.804 0.000) 8.396 2.737 ( -3.731 -5.412 -0.000) 6.574 2.824 ( 0.589 -4.791 -0.000) 4.827 2.836 ( 2.309 -2.155 0.000) 3.159 3.009 ( -4.973 -0.366 -0.000) 4.986 3.073 ( -2.937 1.311 0.000) 3.216 3.102 ( -1.492 3.462 -0.000) 3.770 3.304 ( 2.910 2.857 -0.000) 4.078 3.317 ( -0.445 -2.814 0.000) 2.849 3.368 ( 0.926 2.132 0.000) 2.325 3.400 ( -5.845 3.307 0.000) 6.716 3.490 ( -4.325 -1.017 0.000) 4.443 3.555 ( -0.459 0.855 -0.000) 0.970 3.562 ( -2.245 1.784 0.000) 2.868 3.640 ( 4.791 -9.502 0.000) 10.642 3.685 ( -5.564 -0.754 0.000) 5.615 3.698 ( 5.771 -5.160 -0.000) 7.741 3.811 ( -2.242 -2.569 0.000) 3.410 3.891 ( -1.760 1.052 0.000) 2.051 4.000 ( 0.187 2.400 -0.000) 2.407 4.078 ( 0.553 -2.969 -0.000) 3.020 4.148 ( 0.814 4.484 0.000) 4.557 4.149 ( 1.210 4.875 -0.000) 5.023 4.234 ( 3.546 -1.159 0.000) 3.730 4.303 ( -1.280 -2.875 0.000) 3.147 4.309 ( 0.519 -3.147 0.000) 3.190 4.569 ( -2.941 0.602 0.000) 3.002 4.623 ( -0.753 1.006 0.000) 1.257 4.667 ( -2.620 0.143 -0.000) 2.624 4.710 ( -1.524 0.130 -0.000) 1.529 4.802 ( -0.050 -0.732 -0.000) 0.734 4.816 ( 0.744 -2.053 0.000) 2.184 4.884 ( 1.010 2.549 -0.000) 2.742 4.910 ( 2.886 0.359 0.000) 2.909 4.985 ( 1.223 -1.493 0.000) 1.930 5.019 ( 3.895 -1.369 0.000) 4.128 5.102 ( 2.121 5.309 -0.000) 5.717 5.109 ( 0.996 5.105 0.000) 5.202 5.334 ( -1.685 -2.581 0.000) 3.083 5.340 ( -2.649 -0.990 -0.000) 2.829 5.397 ( -1.532 1.173 -0.000) 1.930 5.404 ( -0.830 0.303 0.000) 0.883 5.648 ( -1.520 -1.909 0.000) 2.440 5.725 ( -1.024 -1.309 -0.000) 1.662 5.757 ( -0.570 1.408 -0.000) 1.519 5.767 ( 0.206 1.830 0.000) 1.842 5.924 ( -0.780 -4.301 -0.000) 4.371 5.933 ( -0.948 -3.160 0.000) 3.299 6.089 ( 2.441 2.369 0.000) 3.402 6.090 ( 2.906 2.993 -0.000) 4.172 6.338 ( -2.849 0.076 -0.000) 2.850 6.348 ( -2.728 0.137 0.000) 2.731 6.453 ( -14.722 -1.436 0.000) 14.792 6.530 ( -15.868 -1.302 0.000) 15.921 7.039 ( 1.271 -2.866 0.000) 3.135 7.091 ( -1.853 -2.377 -0.000) 3.014 7.300 ( -1.018 -0.729 0.000) 1.252 7.350 ( 7.001 4.671 -0.000) 8.416 7.399 ( 9.622 4.434 0.000) 10.595 7.400 ( 1.008 -0.871 -0.000) 1.333 7.647 ( 5.039 -1.084 0.000) 5.154 7.667 ( 4.701 -1.399 -0.000) 4.905 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.916 0.478 0.000) 1.033 0.898 ( -0.259 -0.849 0.000) 0.888 0.993 ( 0.526 -3.638 0.000) 3.676 1.054 ( 4.860 -1.126 0.000) 4.989 1.066 ( -1.421 -4.697 0.000) 4.908 1.125 ( 2.254 -3.574 -0.000) 4.225 1.259 ( -2.686 0.924 -0.000) 2.840 1.293 ( -1.918 -0.734 0.000) 2.054 1.305 ( -1.938 -1.205 -0.000) 2.282 1.371 ( -1.380 0.641 0.000) 1.522 1.438 ( 4.142 4.454 -0.000) 6.082 1.474 ( -0.318 2.669 0.000) 2.687 1.494 ( 0.945 1.208 -0.000) 1.534 1.583 ( -0.405 -2.013 -0.000) 2.053 1.620 ( -0.573 1.657 -0.000) 1.753 1.644 ( 2.587 1.536 -0.000) 3.008 1.679 ( -0.509 -3.759 0.000) 3.793 1.756 ( -3.699 -3.331 -0.000) 4.978 1.757 ( -0.811 3.218 0.000) 3.318 1.807 ( 0.421 3.757 -0.000) 3.780 1.906 ( 2.165 -2.514 0.000) 3.318 1.924 ( 2.311 -0.471 0.000) 2.358 1.972 ( 0.881 3.824 -0.000) 3.924 2.001 ( -1.693 1.192 0.000) 2.071 2.035 ( -0.355 3.055 -0.000) 3.076 2.039 ( 0.687 3.019 0.000) 3.097 2.257 ( 3.470 -5.770 0.000) 6.733 2.265 ( 0.933 -3.405 -0.000) 3.531 2.331 ( 4.849 5.036 -0.000) 6.991 2.353 ( 5.657 -1.270 0.000) 5.798 2.392 ( 1.317 -0.023 0.000) 1.317 2.397 ( 3.325 3.783 -0.000) 5.036 2.512 ( 3.583 0.894 -0.000) 3.693 2.517 ( 7.232 1.499 0.000) 7.385 2.596 ( -5.382 -3.326 0.000) 6.327 2.641 ( -4.212 -1.574 -0.000) 4.497 2.823 ( -0.556 -1.663 0.000) 1.753 2.877 ( 0.025 -2.406 -0.000) 2.406 2.892 ( -4.927 -2.826 0.000) 5.680 2.948 ( -6.332 0.785 0.000) 6.380 3.146 ( 4.226 6.416 -0.000) 7.682 3.224 ( -7.269 0.549 0.000) 7.290 3.354 ( 2.148 0.353 0.000) 2.177 3.359 ( -5.634 -3.359 -0.000) 6.559 3.405 ( 5.045 7.051 -0.000) 8.670 3.411 ( 1.584 3.702 0.000) 4.027 3.484 ( -4.102 -0.804 0.000) 4.180 3.528 ( -2.276 1.703 -0.000) 2.842 3.587 ( -3.517 4.062 0.000) 5.373 3.724 ( -5.185 3.019 -0.000) 6.000 3.777 ( 6.494 -9.200 0.000) 11.262 3.800 ( 3.189 -4.100 -0.000) 5.195 3.896 ( 2.107 -0.913 -0.000) 2.296 3.990 ( -0.571 0.934 -0.000) 1.095 4.092 ( -0.422 -4.830 0.000) 4.848 4.116 ( -3.305 4.002 -0.000) 5.190 4.201 ( 3.731 -0.174 -0.000) 3.735 4.280 ( -0.229 -3.300 0.000) 3.308 4.291 ( 1.534 -1.125 -0.000) 1.903 4.329 ( 0.303 -6.252 0.000) 6.260 4.526 ( -0.503 -0.820 0.000) 0.962 4.597 ( -1.749 -0.100 0.000) 1.752 4.625 ( -1.127 -1.103 0.000) 1.577 4.663 ( -2.582 -0.920 0.000) 2.741 4.797 ( -0.144 -1.372 -0.000) 1.380 4.817 ( -0.567 -2.292 0.000) 2.361 4.904 ( 0.830 2.974 0.000) 3.087 4.944 ( -0.478 1.476 0.000) 1.551 5.026 ( 3.447 -2.221 -0.000) 4.101 5.087 ( 1.707 -0.863 0.000) 1.913 5.161 ( 4.287 3.887 -0.000) 5.787 5.180 ( 4.371 5.439 0.000) 6.978 5.279 ( -2.442 0.956 -0.000) 2.623 5.290 ( -2.358 -0.957 0.000) 2.544 5.366 ( -1.440 2.943 -0.000) 3.276 5.380 ( -1.683 0.597 0.000) 1.785 5.628 ( -0.378 -1.328 0.000) 1.381 5.668 ( -2.580 -0.301 -0.000) 2.597 5.774 ( 2.134 2.756 0.000) 3.485 5.800 ( 1.499 0.676 0.000) 1.644 5.898 ( -1.966 -3.998 0.000) 4.456 5.921 ( 0.478 -3.908 0.000) 3.937 6.107 ( -3.384 2.910 -0.000) 4.463 6.133 ( 1.115 2.093 0.000) 2.371 6.207 ( -5.966 1.271 -0.000) 6.100 6.226 ( -9.577 0.372 -0.000) 9.584 6.275 ( -2.944 -0.108 0.000) 2.946 6.290 ( -4.380 0.717 0.000) 4.439 7.046 ( 0.076 -2.016 0.000) 2.018 7.059 ( -0.791 -1.652 0.000) 1.832 7.273 ( -0.953 -1.043 -0.000) 1.413 7.348 ( -3.455 0.151 -0.000) 3.458 7.511 ( 5.919 -1.316 0.000) 6.063 7.549 ( 4.409 -0.099 -0.000) 4.410 7.768 ( 5.080 1.249 0.000) 5.231 7.775 ( 4.611 0.890 -0.000) 4.696 ======================= Grid point 125 (44/48) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -1.419 1.312 0.000) 1.932 0.878 ( 1.419 1.312 0.000) 1.932 1.035 ( -2.327 -3.497 0.000) 4.200 1.035 ( 2.327 -3.497 0.000) 4.200 1.142 ( -6.503 -3.869 -0.000) 7.566 1.142 ( 6.503 -3.869 0.000) 7.567 1.190 ( -3.721 -0.221 0.000) 3.728 1.190 ( 3.722 -0.221 0.000) 3.728 1.364 ( -4.926 -1.379 0.000) 5.116 1.364 ( 4.926 -1.379 0.000) 5.116 1.472 ( -1.810 0.838 0.000) 1.995 1.472 ( 1.810 0.838 0.000) 1.995 1.559 ( -2.858 6.422 -0.000) 7.029 1.559 ( 2.858 6.422 0.000) 7.029 1.606 ( -1.531 -1.220 0.000) 1.957 1.606 ( 1.531 -1.219 0.000) 1.957 1.710 ( -1.402 -1.233 0.000) 1.867 1.710 ( 1.402 -1.233 0.000) 1.867 1.791 ( -2.009 0.635 0.000) 2.107 1.791 ( 2.009 0.635 0.000) 2.107 1.939 ( -0.885 -2.162 0.000) 2.336 1.939 ( 0.885 -2.162 0.000) 2.336 1.979 ( -0.093 2.168 -0.000) 2.170 1.979 ( 0.093 2.168 0.000) 2.170 2.043 ( -0.725 3.227 0.000) 3.308 2.043 ( 0.725 3.227 -0.000) 3.308 2.277 ( -0.385 -4.902 0.000) 4.917 2.277 ( 0.385 -4.902 0.000) 4.917 2.398 ( -0.425 0.145 0.000) 0.449 2.398 ( 0.425 0.145 -0.000) 0.449 2.445 ( -1.914 5.008 0.000) 5.362 2.445 ( 1.914 5.008 0.000) 5.362 2.503 ( -1.307 -1.428 0.000) 1.936 2.503 ( 1.307 -1.428 0.000) 1.936 2.650 ( -1.871 0.705 0.000) 2.000 2.650 ( 1.871 0.705 0.000) 2.000 2.803 ( -1.613 -3.573 0.000) 3.920 2.803 ( 1.613 -3.573 0.000) 3.920 2.873 ( -3.374 0.111 0.000) 3.376 2.873 ( 3.374 0.111 0.000) 3.376 3.165 ( -2.035 3.551 0.000) 4.093 3.165 ( 2.035 3.551 0.000) 4.093 3.338 ( -4.166 -2.993 0.000) 5.129 3.338 ( 4.166 -2.993 0.000) 5.129 3.438 ( -1.125 1.221 0.000) 1.661 3.438 ( 1.125 1.221 0.000) 1.661 3.485 ( -0.061 6.525 0.000) 6.525 3.485 ( 0.061 6.525 -0.000) 6.525 3.597 ( -5.990 3.987 0.000) 7.195 3.597 ( 5.990 3.987 -0.000) 7.195 3.852 ( -0.530 -2.198 0.000) 2.260 3.852 ( 0.530 -2.198 0.000) 2.260 3.954 ( -2.874 -1.597 0.000) 3.288 3.954 ( 2.874 -1.597 0.000) 3.288 4.069 ( -0.247 -2.249 0.000) 2.263 4.069 ( 0.247 -2.249 0.000) 2.263 4.284 ( -3.036 -3.660 0.000) 4.756 4.284 ( 3.036 -3.660 0.000) 4.756 4.299 ( -1.807 -4.418 -0.000) 4.773 4.299 ( 1.807 -4.418 -0.000) 4.773 4.552 ( -2.364 -2.036 0.000) 3.120 4.552 ( 2.364 -2.036 0.000) 3.120 4.623 ( -0.961 -0.874 0.000) 1.299 4.623 ( 0.961 -0.874 0.000) 1.299 4.802 ( -0.610 -2.048 0.000) 2.137 4.802 ( 0.610 -2.048 0.000) 2.137 4.923 ( -1.090 2.723 0.000) 2.933 4.923 ( 1.090 2.723 0.000) 2.933 5.087 ( -1.740 -0.654 0.000) 1.859 5.087 ( 1.740 -0.654 -0.000) 1.859 5.232 ( -0.805 2.539 0.000) 2.663 5.232 ( 0.805 2.539 0.000) 2.663 5.255 ( -0.466 0.945 -0.000) 1.054 5.255 ( 0.466 0.945 0.000) 1.054 5.347 ( -0.464 3.118 0.000) 3.153 5.347 ( 0.464 3.118 -0.000) 3.153 5.634 ( -0.903 -0.179 0.000) 0.920 5.634 ( 0.903 -0.179 0.000) 0.920 5.812 ( -0.384 1.582 0.000) 1.628 5.812 ( 0.384 1.582 0.000) 1.628 5.902 ( -2.935 -1.698 0.000) 3.391 5.902 ( 2.935 -1.698 0.000) 3.391 6.055 ( -3.141 -0.051 0.000) 3.141 6.055 ( 3.141 -0.051 0.000) 3.141 6.182 ( -0.250 1.798 0.000) 1.815 6.182 ( 0.250 1.798 0.000) 1.815 6.238 ( -0.191 0.319 0.000) 0.372 6.238 ( 0.191 0.319 0.000) 0.372 7.050 ( -0.300 -1.568 0.000) 1.596 7.050 ( 0.300 -1.568 0.000) 1.596 7.284 ( -2.128 -0.586 -0.000) 2.207 7.284 ( 2.128 -0.586 0.000) 2.207 7.584 ( -0.983 -1.807 0.000) 2.056 7.584 ( 0.983 -1.807 0.000) 2.056 7.825 ( -0.159 1.734 -0.000) 1.741 7.825 ( 0.159 1.734 -0.000) 1.741 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 0.000 -0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 -0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 -0.000 -0.000) 0.000 1.198 ( 0.000 0.000 -0.000) 0.000 1.330 ( 0.000 0.000 -0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 -0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 -0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 -0.000 0.000) 0.000 1.847 ( 0.000 0.000 -0.000) 0.000 1.905 ( 0.000 0.000 -0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 -0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 -0.000 0.000) 0.000 2.044 ( 0.000 -0.000 0.000) 0.000 2.059 ( 0.000 0.000 -0.000) 0.000 2.059 ( 0.000 0.000 -0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 -0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 -0.000 0.000) 0.000 3.183 ( 0.000 0.000 -0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 -0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 -0.000 -0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 -0.000 -0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 -0.000) 0.000 4.741 ( 0.000 -0.000 0.000) 0.000 4.782 ( 0.000 0.000 -0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 -0.000 -0.000) 0.000 5.290 ( 0.000 -0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 -0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 -0.000 -0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 -0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 -0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 137 (46/48) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 3.308 -1.520 0.000) 3.641 0.816 ( 3.308 1.520 0.000) 3.641 0.983 ( -1.588 -3.814 0.000) 4.131 0.983 ( -1.588 3.814 0.000) 4.131 1.082 ( -2.322 -1.139 0.000) 2.586 1.082 ( -2.322 1.139 0.000) 2.587 1.257 ( 3.296 -5.171 -0.000) 6.132 1.257 ( 3.296 5.171 -0.000) 6.132 1.365 ( 3.127 -1.811 0.000) 3.613 1.365 ( 3.127 1.811 0.000) 3.613 1.429 ( 4.424 -0.363 -0.000) 4.439 1.429 ( 4.424 0.363 -0.000) 4.439 1.546 ( -4.382 -3.731 0.000) 5.755 1.546 ( -4.382 3.731 0.000) 5.755 1.694 ( -3.303 -2.044 0.000) 3.884 1.694 ( -3.303 2.044 -0.000) 3.884 1.753 ( -5.078 -5.818 0.000) 7.722 1.753 ( -5.078 5.818 0.000) 7.722 1.845 ( 0.495 -0.025 0.000) 0.496 1.845 ( 0.495 0.025 0.000) 0.496 1.880 ( -2.421 -0.808 -0.000) 2.553 1.880 ( -2.421 0.808 -0.000) 2.553 1.989 ( 3.588 -1.237 -0.000) 3.795 1.989 ( 3.588 1.237 -0.000) 3.795 2.066 ( 0.410 -0.641 0.000) 0.761 2.066 ( 0.410 0.641 0.000) 0.761 2.118 ( 4.891 -2.317 0.000) 5.412 2.118 ( 4.891 2.317 0.000) 5.412 2.239 ( 4.172 -0.334 0.000) 4.186 2.239 ( 4.172 0.334 0.000) 4.186 2.416 ( -0.446 -1.728 0.000) 1.785 2.416 ( -0.446 1.728 0.000) 1.785 2.503 ( 3.044 -1.133 0.000) 3.248 2.503 ( 3.044 1.133 -0.000) 3.248 2.623 ( -2.714 -2.083 0.000) 3.421 2.623 ( -2.714 2.083 0.000) 3.421 2.774 ( 1.981 -1.559 -0.000) 2.521 2.774 ( 1.981 1.559 0.000) 2.521 3.049 ( -6.083 -3.037 0.000) 6.799 3.049 ( -6.083 3.037 0.000) 6.799 3.210 ( 2.316 -5.581 0.000) 6.042 3.210 ( 2.316 5.581 -0.000) 6.042 3.387 ( 2.989 -2.495 0.000) 3.894 3.387 ( 2.989 2.495 0.000) 3.894 3.452 ( -0.962 -0.943 -0.000) 1.347 3.452 ( -0.962 0.943 -0.000) 1.347 3.529 ( -1.854 -0.136 0.000) 1.859 3.529 ( -1.854 0.136 0.000) 1.859 3.615 ( -1.050 -2.865 -0.000) 3.051 3.615 ( -1.050 2.865 0.000) 3.051 3.719 ( -0.155 -4.769 0.000) 4.772 3.719 ( -0.155 4.769 0.000) 4.772 3.964 ( -0.749 -3.554 0.000) 3.633 3.964 ( -0.749 3.554 0.000) 3.633 4.140 ( 0.003 -4.666 0.000) 4.666 4.140 ( 0.003 4.666 0.000) 4.666 4.202 ( 0.773 -0.633 -0.000) 0.999 4.202 ( 0.773 0.633 0.000) 0.999 4.267 ( -0.807 -0.396 -0.000) 0.899 4.267 ( -0.807 0.396 0.000) 0.899 4.608 ( -2.263 -2.085 0.000) 3.077 4.608 ( -2.263 2.085 0.000) 3.077 4.697 ( -3.376 -1.362 -0.000) 3.640 4.697 ( -3.376 1.362 -0.000) 3.640 4.793 ( 0.406 -0.160 0.000) 0.436 4.793 ( 0.406 0.160 0.000) 0.436 4.909 ( 2.286 -0.036 0.000) 2.286 4.909 ( 2.286 0.036 0.000) 2.286 4.983 ( 2.275 -1.072 0.000) 2.515 4.983 ( 2.275 1.072 0.000) 2.515 5.192 ( 1.220 -0.589 0.000) 1.354 5.192 ( 1.220 0.589 0.000) 1.354 5.298 ( 0.357 -1.131 -0.000) 1.186 5.298 ( 0.357 1.131 -0.000) 1.186 5.406 ( -1.471 -0.021 0.000) 1.472 5.406 ( -1.471 0.021 0.000) 1.472 5.667 ( -1.208 -3.185 0.000) 3.407 5.667 ( -1.208 3.185 0.000) 3.407 5.789 ( -0.282 -0.857 0.000) 0.902 5.789 ( -0.282 0.857 0.000) 0.902 5.877 ( -1.521 -1.138 0.000) 1.899 5.877 ( -1.521 1.138 0.000) 1.899 6.122 ( 3.262 -0.312 0.000) 3.276 6.122 ( 3.262 0.312 0.000) 3.276 6.346 ( -2.915 -0.359 -0.000) 2.937 6.346 ( -2.915 0.359 -0.000) 2.937 6.469 ( -12.203 -2.965 0.000) 12.558 6.469 ( -12.203 2.965 0.000) 12.558 7.039 ( -1.261 -2.125 0.000) 2.471 7.039 ( -1.261 2.125 0.000) 2.471 7.333 ( -0.276 -3.461 -0.000) 3.472 7.333 ( -0.276 3.461 -0.000) 3.472 7.435 ( 5.016 -1.624 0.000) 5.272 7.435 ( 5.016 1.624 0.000) 5.272 7.641 ( 6.837 -0.527 0.000) 6.857 7.641 ( 6.837 0.527 0.000) 6.857 ======================= Grid point 141 (47/48) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.556 -0.375 0.000) 1.601 0.870 ( 1.556 0.375 0.000) 1.601 0.965 ( 0.577 -1.152 0.000) 1.289 0.965 ( 0.577 1.152 0.000) 1.289 1.092 ( 2.465 -0.743 0.000) 2.574 1.092 ( 2.465 0.743 0.000) 2.574 1.283 ( -5.643 -1.274 -0.000) 5.785 1.283 ( -5.643 1.274 0.000) 5.785 1.328 ( 0.599 -1.048 0.000) 1.207 1.328 ( 0.599 1.048 0.000) 1.207 1.499 ( -2.748 -1.561 -0.000) 3.161 1.499 ( -2.748 1.561 -0.000) 3.161 1.547 ( 5.924 -5.668 -0.000) 8.199 1.547 ( 5.924 5.668 -0.000) 8.199 1.627 ( -0.938 -5.560 0.000) 5.639 1.627 ( -0.938 5.560 0.000) 5.639 1.673 ( -2.248 -0.553 0.000) 2.315 1.673 ( -2.248 0.553 0.000) 2.315 1.839 ( 0.000 -3.589 0.000) 3.589 1.839 ( 0.000 3.589 0.000) 3.589 1.897 ( 1.450 -2.346 0.000) 2.758 1.897 ( 1.450 2.346 0.000) 2.758 2.023 ( -0.437 -0.029 -0.000) 0.438 2.023 ( -0.437 0.029 -0.000) 0.438 2.072 ( 0.696 -0.027 0.000) 0.697 2.072 ( 0.696 0.027 0.000) 0.697 2.195 ( 1.390 -1.640 0.000) 2.150 2.195 ( 1.390 1.640 0.000) 2.150 2.351 ( 5.820 -1.003 0.000) 5.906 2.351 ( 5.820 1.003 0.000) 5.906 2.425 ( 1.831 -0.648 0.000) 1.942 2.425 ( 1.831 0.648 0.000) 1.942 2.556 ( -0.350 -0.986 0.000) 1.047 2.556 ( -0.350 0.986 0.000) 1.047 2.580 ( 1.934 -3.612 -0.000) 4.097 2.580 ( 1.934 3.612 -0.000) 4.097 2.806 ( -0.363 -2.259 0.000) 2.288 2.806 ( -0.363 2.259 0.000) 2.288 2.912 ( -5.054 -3.077 0.000) 5.917 2.912 ( -5.054 3.077 -0.000) 5.917 3.243 ( -1.476 -0.889 0.000) 1.723 3.243 ( -1.476 0.889 0.000) 1.723 3.337 ( -3.065 -4.073 -0.000) 5.098 3.337 ( -3.065 4.073 -0.000) 5.098 3.447 ( -1.494 -2.973 0.000) 3.327 3.447 ( -1.494 2.973 -0.000) 3.327 3.565 ( 4.409 -6.456 0.000) 7.818 3.565 ( 4.409 6.456 0.000) 7.818 3.653 ( 4.172 -10.791 0.000) 11.569 3.653 ( 4.172 10.791 -0.000) 11.569 3.716 ( -0.294 -3.009 0.000) 3.023 3.716 ( -0.294 3.009 0.000) 3.023 3.940 ( -0.403 -4.875 0.000) 4.892 3.940 ( -0.403 4.875 0.000) 4.892 4.108 ( -3.444 -6.464 0.000) 7.324 4.108 ( -3.444 6.464 -0.000) 7.324 4.210 ( -0.579 -1.083 0.000) 1.228 4.210 ( -0.579 1.083 -0.000) 1.228 4.260 ( 0.658 -1.155 -0.000) 1.329 4.260 ( 0.658 1.155 -0.000) 1.329 4.550 ( -2.938 -2.887 0.000) 4.119 4.550 ( -2.938 2.887 0.000) 4.119 4.636 ( -1.997 -1.398 0.000) 2.438 4.636 ( -1.997 1.398 0.000) 2.438 4.791 ( -0.397 -0.508 0.000) 0.645 4.791 ( -0.397 0.508 0.000) 0.645 4.951 ( 1.134 -1.186 0.000) 1.641 4.951 ( 1.134 1.186 0.000) 1.641 5.037 ( 3.093 -2.719 0.000) 4.119 5.037 ( 3.093 2.719 0.000) 4.119 5.230 ( 1.778 -1.114 0.000) 2.098 5.230 ( 1.778 1.114 0.000) 2.098 5.286 ( -1.363 -0.408 0.000) 1.423 5.286 ( -1.363 0.408 -0.000) 1.423 5.391 ( 0.232 -0.481 0.000) 0.534 5.391 ( 0.232 0.481 0.000) 0.534 5.643 ( -0.659 -1.952 -0.000) 2.060 5.643 ( -0.659 1.952 0.000) 2.060 5.820 ( 0.482 -2.109 0.000) 2.163 5.820 ( 0.482 2.109 0.000) 2.163 5.846 ( 1.291 -3.097 0.000) 3.355 5.846 ( 1.291 3.097 0.000) 3.355 6.153 ( -2.931 -0.721 0.000) 3.019 6.153 ( -2.931 0.721 -0.000) 3.019 6.224 ( -6.124 -0.209 -0.000) 6.128 6.224 ( -6.124 0.209 -0.000) 6.128 6.287 ( -3.718 -1.031 0.000) 3.858 6.287 ( -3.718 1.031 0.000) 3.858 7.028 ( -0.082 -0.657 0.000) 0.662 7.028 ( -0.082 0.657 0.000) 0.662 7.302 ( -1.956 -3.283 -0.000) 3.822 7.302 ( -1.956 3.283 0.000) 3.822 7.523 ( 3.312 -1.919 0.000) 3.827 7.523 ( 3.312 1.919 -0.000) 3.827 7.786 ( 5.661 -0.126 0.000) 5.662 7.786 ( 5.661 0.126 -0.000) 5.662 ======================= Grid point 145 (48/48) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 0.000 0.000) 0.000 0.883 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.069 ( -0.000 -0.000 0.000) 0.000 1.069 ( -0.000 0.000 -0.000) 0.000 1.224 ( -0.000 0.000 -0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.392 ( -0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.398 ( -0.000 -0.000 0.000) 0.000 1.398 ( 0.000 -0.000 0.000) 0.000 1.612 ( 0.000 0.000 -0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 -0.000 0.000) 0.000 1.640 ( 0.000 -0.000 0.000) 0.000 1.652 ( 0.000 0.000 -0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 -0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 -0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.529 ( -0.000 -0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.675 ( -0.000 -0.000 0.000) 0.000 2.675 ( 0.000 -0.000 0.000) 0.000 2.741 ( -0.000 -0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 -0.000) 0.000 2.882 ( 0.000 -0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 -0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 -0.000 -0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 -0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 -0.000 0.000) 0.000 3.701 ( -0.000 0.000 0.000) 0.000 3.713 ( 0.000 -0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 -0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.005 ( -0.000 -0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 -0.000 -0.000) 0.000 4.198 ( 0.000 -0.000 0.000) 0.000 4.273 ( 0.000 -0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 -0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 -0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 -0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 -0.000 -0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 -0.000 -0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 -0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 -0.000 0.000) 0.000 7.559 ( 0.000 -0.000 0.000) 0.000 7.846 ( 0.000 0.000 -0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 15.882 15.847 22.276 0.000 0.000 -0.000 3/13824 20.0 4.238 4.474 6.288 0.000 0.000 -0.000 3/13824 30.0 2.242 2.396 3.357 0.000 0.000 -0.000 3/13824 40.0 1.486 1.596 2.232 0.000 0.000 -0.000 3/13824 50.0 1.101 1.186 1.656 0.000 0.000 -0.000 3/13824 60.0 0.873 0.941 1.313 0.000 0.000 -0.000 3/13824 70.0 0.725 0.780 1.088 0.000 0.000 -0.000 3/13824 80.0 0.622 0.667 0.930 0.000 0.000 -0.000 3/13824 90.0 0.546 0.584 0.813 0.000 0.000 -0.000 3/13824 100.0 0.487 0.519 0.723 0.000 0.000 -0.000 3/13824 110.0 0.441 0.468 0.651 0.000 0.000 -0.000 3/13824 120.0 0.403 0.426 0.593 0.000 0.000 -0.000 3/13824 130.0 0.371 0.391 0.545 0.000 0.000 -0.000 3/13824 140.0 0.344 0.362 0.504 0.000 0.000 -0.000 3/13824 150.0 0.321 0.336 0.469 0.000 0.000 -0.000 3/13824 160.0 0.301 0.315 0.438 0.000 0.000 -0.000 3/13824 170.0 0.283 0.295 0.412 0.000 0.000 -0.000 3/13824 180.0 0.268 0.279 0.388 0.000 0.000 -0.000 3/13824 190.0 0.254 0.263 0.367 0.000 0.000 -0.000 3/13824 200.0 0.241 0.250 0.348 0.000 0.000 -0.000 3/13824 210.0 0.230 0.238 0.332 0.000 0.000 -0.000 3/13824 220.0 0.219 0.227 0.316 0.000 0.000 -0.000 3/13824 230.0 0.210 0.217 0.302 0.000 0.000 -0.000 3/13824 240.0 0.201 0.208 0.290 0.000 0.000 -0.000 3/13824 250.0 0.193 0.199 0.278 0.000 0.000 -0.000 3/13824 260.0 0.186 0.191 0.267 0.000 0.000 -0.000 3/13824 270.0 0.179 0.184 0.257 0.000 0.000 -0.000 3/13824 280.0 0.173 0.178 0.248 0.000 0.000 -0.000 3/13824 290.0 0.167 0.171 0.239 0.000 0.000 -0.000 3/13824 300.0 0.161 0.166 0.231 0.000 0.000 -0.000 3/13824 310.0 0.156 0.160 0.224 0.000 0.000 -0.000 3/13824 320.0 0.151 0.155 0.217 0.000 0.000 -0.000 3/13824 330.0 0.147 0.151 0.210 0.000 0.000 -0.000 3/13824 340.0 0.142 0.146 0.204 0.000 0.000 -0.000 3/13824 350.0 0.138 0.142 0.198 0.000 0.000 -0.000 3/13824 360.0 0.134 0.138 0.192 0.000 0.000 -0.000 3/13824 370.0 0.131 0.134 0.187 0.000 0.000 -0.000 3/13824 380.0 0.127 0.131 0.182 0.000 0.000 -0.000 3/13824 390.0 0.124 0.127 0.178 0.000 0.000 -0.000 3/13824 400.0 0.121 0.124 0.173 0.000 0.000 -0.000 3/13824 410.0 0.118 0.121 0.169 0.000 0.000 -0.000 3/13824 420.0 0.115 0.118 0.165 0.000 0.000 -0.000 3/13824 430.0 0.113 0.115 0.161 0.000 0.000 -0.000 3/13824 440.0 0.110 0.113 0.157 0.000 0.000 -0.000 3/13824 450.0 0.108 0.110 0.154 0.000 0.000 -0.000 3/13824 460.0 0.105 0.108 0.150 0.000 0.000 -0.000 3/13824 470.0 0.103 0.106 0.147 0.000 0.000 -0.000 3/13824 480.0 0.101 0.103 0.144 0.000 0.000 -0.000 3/13824 490.0 0.099 0.101 0.141 0.000 0.000 -0.000 3/13824 500.0 0.097 0.099 0.138 0.000 0.000 -0.000 3/13824 510.0 0.095 0.097 0.136 0.000 0.000 -0.000 3/13824 520.0 0.093 0.095 0.133 0.000 0.000 -0.000 3/13824 530.0 0.091 0.094 0.131 0.000 0.000 -0.000 3/13824 540.0 0.090 0.092 0.128 0.000 0.000 -0.000 3/13824 550.0 0.088 0.090 0.126 0.000 0.000 -0.000 3/13824 560.0 0.087 0.089 0.124 0.000 0.000 -0.000 3/13824 570.0 0.085 0.087 0.121 0.000 0.000 -0.000 3/13824 580.0 0.084 0.085 0.119 0.000 0.000 -0.000 3/13824 590.0 0.082 0.084 0.117 0.000 0.000 -0.000 3/13824 600.0 0.081 0.083 0.115 0.000 0.000 -0.000 3/13824 610.0 0.080 0.081 0.113 0.000 0.000 -0.000 3/13824 620.0 0.078 0.080 0.112 0.000 0.000 -0.000 3/13824 630.0 0.077 0.079 0.110 0.000 0.000 -0.000 3/13824 640.0 0.076 0.077 0.108 0.000 0.000 -0.000 3/13824 650.0 0.075 0.076 0.106 0.000 0.000 -0.000 3/13824 660.0 0.074 0.075 0.105 0.000 0.000 -0.000 3/13824 670.0 0.072 0.074 0.103 0.000 0.000 -0.000 3/13824 680.0 0.071 0.073 0.102 0.000 0.000 -0.000 3/13824 690.0 0.070 0.072 0.100 0.000 0.000 -0.000 3/13824 700.0 0.069 0.071 0.099 0.000 0.000 -0.000 3/13824 710.0 0.068 0.070 0.097 0.000 0.000 -0.000 3/13824 720.0 0.067 0.069 0.096 0.000 0.000 -0.000 3/13824 730.0 0.067 0.068 0.095 0.000 0.000 -0.000 3/13824 740.0 0.066 0.067 0.093 0.000 0.000 -0.000 3/13824 750.0 0.065 0.066 0.092 0.000 0.000 -0.000 3/13824 760.0 0.064 0.065 0.091 0.000 0.000 -0.000 3/13824 770.0 0.063 0.064 0.090 0.000 0.000 -0.000 3/13824 780.0 0.062 0.064 0.089 0.000 0.000 -0.000 3/13824 790.0 0.061 0.063 0.088 0.000 0.000 -0.000 3/13824 800.0 0.061 0.062 0.086 0.000 0.000 -0.000 3/13824 810.0 0.060 0.061 0.085 0.000 0.000 -0.000 3/13824 820.0 0.059 0.060 0.084 0.000 0.000 -0.000 3/13824 830.0 0.059 0.060 0.083 0.000 0.000 -0.000 3/13824 840.0 0.058 0.059 0.082 0.000 0.000 -0.000 3/13824 850.0 0.057 0.058 0.081 0.000 0.000 -0.000 3/13824 860.0 0.056 0.058 0.080 0.000 0.000 -0.000 3/13824 870.0 0.056 0.057 0.080 0.000 0.000 -0.000 3/13824 880.0 0.055 0.056 0.079 0.000 0.000 -0.000 3/13824 890.0 0.055 0.056 0.078 0.000 0.000 -0.000 3/13824 900.0 0.054 0.055 0.077 0.000 0.000 -0.000 3/13824 910.0 0.053 0.054 0.076 0.000 0.000 -0.000 3/13824 920.0 0.053 0.054 0.075 0.000 0.000 -0.000 3/13824 930.0 0.052 0.053 0.074 0.000 0.000 -0.000 3/13824 940.0 0.052 0.053 0.074 0.000 0.000 -0.000 3/13824 950.0 0.051 0.052 0.073 0.000 0.000 -0.000 3/13824 960.0 0.051 0.052 0.072 0.000 0.000 -0.000 3/13824 970.0 0.050 0.051 0.071 0.000 0.000 -0.000 3/13824 980.0 0.050 0.051 0.071 0.000 0.000 -0.000 3/13824 990.0 0.049 0.050 0.070 0.000 0.000 -0.000 3/13824 1000.0 0.049 0.050 0.069 0.000 0.000 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:48:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|