----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:12:04]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.805731721041536 -2.110551090000000 0.000000000000000 b 6.805731721041536 2.110551090000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): *1 Bi 0.16903913611818 0.16903913611818 0.49318507656389 208.980 2 Bi 0.83096086388182 0.83096086388182 0.50681492343611 208.980 *3 Bi 0.17554531429926 0.17554531429926 0.00749972508446 208.980 *4 Bi 0.20019665581455 0.20019665581455 0.64944377223185 208.980 5 Bi 0.79980334418545 0.79980334418545 0.35055622776815 208.980 6 Bi 0.82445468570074 0.82445468570074 0.99250027491554 208.980 *7 Bi 0.06642237078869 0.06642237078869 0.85079842809707 208.980 8 Bi 0.93357762921131 0.93357762921131 0.14920157190293 208.980 *9 Br 0.14471338896906 0.14471338896906 0.31288107505592 79.904 *10 Br 0.44086243779625 0.44086243779625 0.88243558441530 79.904 *11 Br 0.45434750255172 0.45434750255172 0.38924635008831 79.904 12 Br 0.54565249744828 0.54565249744828 0.61075364991169 79.904 13 Br 0.55913756220375 0.55913756220375 0.11756441558470 79.904 *14 Br 0.68611957368584 0.68611957368584 0.81199969047977 79.904 15 Br 0.31388042631416 0.31388042631416 0.18800030952023 79.904 16 Br 0.85528661103095 0.85528661103095 0.68711892494408 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.611463442083071 0.000000000000000 0.000000000000000 b 0.000000000000000 4.221102180000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): *1 Bi 0.16903913611818 0.00000000000000 0.49318507656389 208.980 > 1 2 Bi 0.83096086388182 0.00000000000000 0.50681492343611 208.980 > 2 *3 Bi 0.67554531429926 0.50000000000000 0.00749972508446 208.980 > 3 *4 Bi 0.20019665581455 0.00000000000000 0.64944377223185 208.980 > 4 5 Bi 0.79980334418545 0.00000000000000 0.35055622776815 208.980 > 5 6 Bi 0.32445468570074 0.50000000000000 0.99250027491554 208.980 > 6 *7 Bi 0.06642237078869 0.00000000000000 0.85079842809707 208.980 > 7 8 Bi 0.93357762921131 0.00000000000000 0.14920157190293 208.980 > 8 9 Bi 0.66903913611818 0.50000000000000 0.49318507656389 208.980 > 1 10 Bi 0.33096086388182 0.50000000000000 0.50681492343611 208.980 > 2 11 Bi 0.17554531429926 0.00000000000000 0.00749972508446 208.980 > 3 12 Bi 0.70019665581455 0.50000000000000 0.64944377223185 208.980 > 4 13 Bi 0.29980334418545 0.50000000000000 0.35055622776815 208.980 > 5 14 Bi 0.82445468570074 0.00000000000000 0.99250027491554 208.980 > 6 15 Bi 0.56642237078869 0.50000000000000 0.85079842809707 208.980 > 7 16 Bi 0.43357762921131 0.50000000000000 0.14920157190293 208.980 > 8 *17 Br 0.14471338896906 0.00000000000000 0.31288107505592 79.904 > 9 *18 Br 0.44086243779625 0.00000000000000 0.88243558441530 79.904 > 10 *19 Br 0.95434750255172 0.50000000000000 0.38924635008831 79.904 > 11 20 Br 0.04565249744828 0.50000000000000 0.61075364991169 79.904 > 12 21 Br 0.55913756220375 0.00000000000000 0.11756441558470 79.904 > 13 *22 Br 0.18611957368584 0.50000000000000 0.81199969047977 79.904 > 14 23 Br 0.81388042631416 0.50000000000000 0.18800030952023 79.904 > 15 24 Br 0.85528661103095 0.00000000000000 0.68711892494408 79.904 > 16 25 Br 0.64471338896905 0.50000000000000 0.31288107505592 79.904 > 9 26 Br 0.94086243779625 0.50000000000000 0.88243558441530 79.904 > 10 27 Br 0.45434750255172 0.00000000000000 0.38924635008831 79.904 > 11 28 Br 0.54565249744828 0.00000000000000 0.61075364991169 79.904 > 12 29 Br 0.05913756220375 0.50000000000000 0.11756441558470 79.904 > 13 30 Br 0.68611957368584 0.00000000000000 0.81199969047977 79.904 > 14 31 Br 0.31388042631416 0.00000000000000 0.18800030952023 79.904 > 15 32 Br 0.35528661103094 0.50000000000000 0.68711892494408 79.904 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.611463442083071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.884408720000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): *1 Bi 0.16903913611818 0.00000000000000 0.49318507656389 208.980 > 1 2 Bi 0.16903913611818 0.25000000000000 0.49318507656389 208.980 > 1 3 Bi 0.16903913611818 0.50000000000000 0.49318507656389 208.980 > 1 4 Bi 0.16903913611818 0.75000000000000 0.49318507656389 208.980 > 1 5 Bi 0.83096086388182 0.00000000000000 0.50681492343611 208.980 > 2 6 Bi 0.83096086388182 0.25000000000000 0.50681492343611 208.980 > 2 7 Bi 0.83096086388182 0.50000000000000 0.50681492343611 208.980 > 2 8 Bi 0.83096086388182 0.75000000000000 0.50681492343611 208.980 > 2 *9 Bi 0.67554531429926 0.12500000000000 0.00749972508446 208.980 > 3 10 Bi 0.67554531429926 0.37500000000000 0.00749972508446 208.980 > 3 11 Bi 0.67554531429926 0.62500000000000 0.00749972508446 208.980 > 3 12 Bi 0.67554531429926 0.87500000000000 0.00749972508446 208.980 > 3 *13 Bi 0.20019665581455 0.00000000000000 0.64944377223185 208.980 > 4 14 Bi 0.20019665581455 0.25000000000000 0.64944377223185 208.980 > 4 15 Bi 0.20019665581455 0.50000000000000 0.64944377223185 208.980 > 4 16 Bi 0.20019665581455 0.75000000000000 0.64944377223185 208.980 > 4 17 Bi 0.79980334418545 0.00000000000000 0.35055622776815 208.980 > 5 18 Bi 0.79980334418545 0.25000000000000 0.35055622776815 208.980 > 5 19 Bi 0.79980334418545 0.50000000000000 0.35055622776815 208.980 > 5 20 Bi 0.79980334418545 0.75000000000000 0.35055622776815 208.980 > 5 21 Bi 0.32445468570074 0.12500000000000 0.99250027491554 208.980 > 6 22 Bi 0.32445468570074 0.37500000000000 0.99250027491554 208.980 > 6 23 Bi 0.32445468570074 0.62500000000000 0.99250027491554 208.980 > 6 24 Bi 0.32445468570074 0.87500000000000 0.99250027491554 208.980 > 6 *25 Bi 0.06642237078869 0.00000000000000 0.85079842809707 208.980 > 7 26 Bi 0.06642237078869 0.25000000000000 0.85079842809707 208.980 > 7 27 Bi 0.06642237078869 0.50000000000000 0.85079842809707 208.980 > 7 28 Bi 0.06642237078869 0.75000000000000 0.85079842809707 208.980 > 7 29 Bi 0.93357762921131 0.00000000000000 0.14920157190293 208.980 > 8 30 Bi 0.93357762921131 0.25000000000000 0.14920157190293 208.980 > 8 31 Bi 0.93357762921131 0.50000000000000 0.14920157190293 208.980 > 8 32 Bi 0.93357762921131 0.75000000000000 0.14920157190293 208.980 > 8 33 Bi 0.66903913611818 0.12500000000000 0.49318507656389 208.980 > 1 34 Bi 0.66903913611818 0.37500000000000 0.49318507656389 208.980 > 1 35 Bi 0.66903913611818 0.62500000000000 0.49318507656389 208.980 > 1 36 Bi 0.66903913611818 0.87500000000000 0.49318507656389 208.980 > 1 37 Bi 0.33096086388182 0.12500000000000 0.50681492343611 208.980 > 2 38 Bi 0.33096086388182 0.37500000000000 0.50681492343611 208.980 > 2 39 Bi 0.33096086388182 0.62500000000000 0.50681492343611 208.980 > 2 40 Bi 0.33096086388182 0.87500000000000 0.50681492343611 208.980 > 2 41 Bi 0.17554531429926 0.00000000000000 0.00749972508446 208.980 > 3 42 Bi 0.17554531429926 0.25000000000000 0.00749972508446 208.980 > 3 43 Bi 0.17554531429926 0.50000000000000 0.00749972508446 208.980 > 3 44 Bi 0.17554531429926 0.75000000000000 0.00749972508446 208.980 > 3 45 Bi 0.70019665581455 0.12500000000000 0.64944377223185 208.980 > 4 46 Bi 0.70019665581455 0.37500000000000 0.64944377223185 208.980 > 4 47 Bi 0.70019665581455 0.62500000000000 0.64944377223185 208.980 > 4 48 Bi 0.70019665581455 0.87500000000000 0.64944377223185 208.980 > 4 49 Bi 0.29980334418545 0.12500000000000 0.35055622776815 208.980 > 5 50 Bi 0.29980334418545 0.37500000000000 0.35055622776815 208.980 > 5 51 Bi 0.29980334418545 0.62500000000000 0.35055622776815 208.980 > 5 52 Bi 0.29980334418545 0.87500000000000 0.35055622776815 208.980 > 5 53 Bi 0.82445468570074 0.00000000000000 0.99250027491554 208.980 > 6 54 Bi 0.82445468570074 0.25000000000000 0.99250027491554 208.980 > 6 55 Bi 0.82445468570074 0.50000000000000 0.99250027491554 208.980 > 6 56 Bi 0.82445468570074 0.75000000000000 0.99250027491554 208.980 > 6 57 Bi 0.56642237078869 0.12500000000000 0.85079842809707 208.980 > 7 58 Bi 0.56642237078869 0.37500000000000 0.85079842809707 208.980 > 7 59 Bi 0.56642237078869 0.62500000000000 0.85079842809707 208.980 > 7 60 Bi 0.56642237078869 0.87500000000000 0.85079842809707 208.980 > 7 61 Bi 0.43357762921131 0.12500000000000 0.14920157190293 208.980 > 8 62 Bi 0.43357762921131 0.37500000000000 0.14920157190293 208.980 > 8 63 Bi 0.43357762921131 0.62500000000000 0.14920157190293 208.980 > 8 64 Bi 0.43357762921131 0.87500000000000 0.14920157190293 208.980 > 8 *65 Br 0.14471338896906 0.00000000000000 0.31288107505592 79.904 > 9 66 Br 0.14471338896906 0.25000000000000 0.31288107505592 79.904 > 9 67 Br 0.14471338896906 0.50000000000000 0.31288107505592 79.904 > 9 68 Br 0.14471338896906 0.75000000000000 0.31288107505592 79.904 > 9 *69 Br 0.44086243779625 0.00000000000000 0.88243558441530 79.904 > 10 70 Br 0.44086243779625 0.25000000000000 0.88243558441530 79.904 > 10 71 Br 0.44086243779625 0.50000000000000 0.88243558441530 79.904 > 10 72 Br 0.44086243779625 0.75000000000000 0.88243558441530 79.904 > 10 *73 Br 0.95434750255172 0.12500000000000 0.38924635008831 79.904 > 11 74 Br 0.95434750255172 0.37500000000000 0.38924635008831 79.904 > 11 75 Br 0.95434750255172 0.62500000000000 0.38924635008831 79.904 > 11 76 Br 0.95434750255172 0.87500000000000 0.38924635008831 79.904 > 11 77 Br 0.04565249744828 0.12500000000000 0.61075364991169 79.904 > 12 78 Br 0.04565249744828 0.37500000000000 0.61075364991169 79.904 > 12 79 Br 0.04565249744828 0.62500000000000 0.61075364991169 79.904 > 12 80 Br 0.04565249744828 0.87500000000000 0.61075364991169 79.904 > 12 81 Br 0.55913756220375 0.00000000000000 0.11756441558470 79.904 > 13 82 Br 0.55913756220375 0.25000000000000 0.11756441558470 79.904 > 13 83 Br 0.55913756220375 0.50000000000000 0.11756441558470 79.904 > 13 84 Br 0.55913756220375 0.75000000000000 0.11756441558470 79.904 > 13 *85 Br 0.18611957368584 0.12500000000000 0.81199969047977 79.904 > 14 86 Br 0.18611957368584 0.37500000000000 0.81199969047977 79.904 > 14 87 Br 0.18611957368584 0.62500000000000 0.81199969047977 79.904 > 14 88 Br 0.18611957368584 0.87500000000000 0.81199969047977 79.904 > 14 89 Br 0.81388042631416 0.12500000000000 0.18800030952023 79.904 > 15 90 Br 0.81388042631416 0.37500000000000 0.18800030952023 79.904 > 15 91 Br 0.81388042631416 0.62500000000000 0.18800030952023 79.904 > 15 92 Br 0.81388042631416 0.87500000000000 0.18800030952023 79.904 > 15 93 Br 0.85528661103095 0.00000000000000 0.68711892494408 79.904 > 16 94 Br 0.85528661103095 0.25000000000000 0.68711892494408 79.904 > 16 95 Br 0.85528661103095 0.50000000000000 0.68711892494408 79.904 > 16 96 Br 0.85528661103095 0.75000000000000 0.68711892494408 79.904 > 16 97 Br 0.64471338896905 0.12500000000000 0.31288107505592 79.904 > 9 98 Br 0.64471338896905 0.37500000000000 0.31288107505592 79.904 > 9 99 Br 0.64471338896905 0.62500000000000 0.31288107505592 79.904 > 9 100 Br 0.64471338896905 0.87500000000000 0.31288107505592 79.904 > 9 101 Br 0.94086243779625 0.12500000000000 0.88243558441530 79.904 > 10 102 Br 0.94086243779625 0.37500000000000 0.88243558441530 79.904 > 10 103 Br 0.94086243779625 0.62500000000000 0.88243558441530 79.904 > 10 104 Br 0.94086243779625 0.87500000000000 0.88243558441530 79.904 > 10 105 Br 0.45434750255172 0.00000000000000 0.38924635008831 79.904 > 11 106 Br 0.45434750255172 0.25000000000000 0.38924635008831 79.904 > 11 107 Br 0.45434750255172 0.50000000000000 0.38924635008831 79.904 > 11 108 Br 0.45434750255172 0.75000000000000 0.38924635008831 79.904 > 11 109 Br 0.54565249744828 0.00000000000000 0.61075364991169 79.904 > 12 110 Br 0.54565249744828 0.25000000000000 0.61075364991169 79.904 > 12 111 Br 0.54565249744828 0.50000000000000 0.61075364991169 79.904 > 12 112 Br 0.54565249744828 0.75000000000000 0.61075364991169 79.904 > 12 113 Br 0.05913756220375 0.12500000000000 0.11756441558470 79.904 > 13 114 Br 0.05913756220375 0.37500000000000 0.11756441558470 79.904 > 13 115 Br 0.05913756220375 0.62500000000000 0.11756441558470 79.904 > 13 116 Br 0.05913756220375 0.87500000000000 0.11756441558470 79.904 > 13 117 Br 0.68611957368584 0.00000000000000 0.81199969047977 79.904 > 14 118 Br 0.68611957368584 0.25000000000000 0.81199969047977 79.904 > 14 119 Br 0.68611957368584 0.50000000000000 0.81199969047977 79.904 > 14 120 Br 0.68611957368584 0.75000000000000 0.81199969047977 79.904 > 14 121 Br 0.31388042631416 0.00000000000000 0.18800030952023 79.904 > 15 122 Br 0.31388042631416 0.25000000000000 0.18800030952023 79.904 > 15 123 Br 0.31388042631416 0.50000000000000 0.18800030952023 79.904 > 15 124 Br 0.31388042631416 0.75000000000000 0.18800030952023 79.904 > 15 125 Br 0.35528661103094 0.12500000000000 0.68711892494408 79.904 > 16 126 Br 0.35528661103094 0.37500000000000 0.68711892494408 79.904 > 16 127 Br 0.35528661103094 0.62500000000000 0.68711892494408 79.904 > 16 128 Br 0.35528661103094 0.87500000000000 0.68711892494408 79.904 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.2347101 0.0000000 -0.2272565 0.0000000 15.8055692 0.0000000 -0.2272521 0.0000000 8.5263622 -------------------------- Born effective charges -------------------------- 1 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 2 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 3 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 4 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 5 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 6 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 7 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 8 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 9 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 10 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 11 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 12 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 13 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 14 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 15 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 16 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 ---------------------------------------------------------------------------- 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: 11712/11712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 131 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 360 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (360, 352), data: True |-- (360, 352), data: True |-- (360, 352), data: True |-- (384, 384), data: True |-- (384, 384), data: True |-- (640, 625), data: False |-- (640, 9), data: (640, 24) @ (24, 9) |-- (140, 131), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 480 - Time: 0.674 Solver_block: 200 / 480 - Time: 0.626 Solver_block: 300 / 480 - Time: 0.624 Solver_block: 400 / 480 - Time: 0.625 Solver_block: 480 / 480 - Time: 0.569 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.198 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11712/11712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 131 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 360 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (360, 352), data: True |-- (360, 352), data: True |-- (360, 352), data: True |-- (384, 384), data: True |-- (384, 384), data: True |-- (640, 625), data: False |-- (640, 9), data: (640, 24) @ (24, 9) |-- (140, 131), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), 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 18:12:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:12:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.805731721041536 -2.110551090000000 0.000000000000000 b 6.805731721041536 2.110551090000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): 1 Bi 0.16903913611818 0.16903913611818 0.49318507656389 208.980 2 Bi 0.83096086388182 0.83096086388182 0.50681492343611 208.980 3 Bi 0.17554531429926 0.17554531429926 0.00749972508446 208.980 4 Bi 0.20019665581455 0.20019665581455 0.64944377223185 208.980 5 Bi 0.79980334418545 0.79980334418545 0.35055622776815 208.980 6 Bi 0.82445468570074 0.82445468570074 0.99250027491554 208.980 7 Bi 0.06642237078869 0.06642237078869 0.85079842809707 208.980 8 Bi 0.93357762921131 0.93357762921131 0.14920157190293 208.980 9 Br 0.14471338896906 0.14471338896906 0.31288107505592 79.904 10 Br 0.44086243779625 0.44086243779625 0.88243558441530 79.904 11 Br 0.45434750255172 0.45434750255172 0.38924635008831 79.904 12 Br 0.54565249744828 0.54565249744828 0.61075364991169 79.904 13 Br 0.55913756220375 0.55913756220375 0.11756441558470 79.904 14 Br 0.68611957368584 0.68611957368584 0.81199969047977 79.904 15 Br 0.31388042631416 0.31388042631416 0.18800030952023 79.904 16 Br 0.85528661103095 0.85528661103095 0.68711892494408 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.611463442083071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.884408720000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): 1 Bi 0.16903913611818 0.00000000000000 0.49318507656389 208.980 > 1 2 Bi 0.16903913611818 0.25000000000000 0.49318507656389 208.980 > 1 3 Bi 0.16903913611818 0.50000000000000 0.49318507656389 208.980 > 1 4 Bi 0.16903913611818 0.75000000000000 0.49318507656389 208.980 > 1 5 Bi 0.83096086388182 0.00000000000000 0.50681492343611 208.980 > 5 6 Bi 0.83096086388182 0.25000000000000 0.50681492343611 208.980 > 5 7 Bi 0.83096086388182 0.50000000000000 0.50681492343611 208.980 > 5 8 Bi 0.83096086388182 0.75000000000000 0.50681492343611 208.980 > 5 9 Bi 0.67554531429926 0.12500000000000 0.00749972508446 208.980 > 9 10 Bi 0.67554531429926 0.37500000000000 0.00749972508446 208.980 > 9 11 Bi 0.67554531429926 0.62500000000000 0.00749972508446 208.980 > 9 12 Bi 0.67554531429926 0.87500000000000 0.00749972508446 208.980 > 9 13 Bi 0.20019665581455 0.00000000000000 0.64944377223185 208.980 > 13 14 Bi 0.20019665581455 0.25000000000000 0.64944377223185 208.980 > 13 15 Bi 0.20019665581455 0.50000000000000 0.64944377223185 208.980 > 13 16 Bi 0.20019665581455 0.75000000000000 0.64944377223185 208.980 > 13 17 Bi 0.79980334418545 0.00000000000000 0.35055622776815 208.980 > 17 18 Bi 0.79980334418545 0.25000000000000 0.35055622776815 208.980 > 17 19 Bi 0.79980334418545 0.50000000000000 0.35055622776815 208.980 > 17 20 Bi 0.79980334418545 0.75000000000000 0.35055622776815 208.980 > 17 21 Bi 0.32445468570074 0.12500000000000 0.99250027491554 208.980 > 21 22 Bi 0.32445468570074 0.37500000000000 0.99250027491554 208.980 > 21 23 Bi 0.32445468570074 0.62500000000000 0.99250027491554 208.980 > 21 24 Bi 0.32445468570074 0.87500000000000 0.99250027491554 208.980 > 21 25 Bi 0.06642237078869 0.00000000000000 0.85079842809707 208.980 > 25 26 Bi 0.06642237078869 0.25000000000000 0.85079842809707 208.980 > 25 27 Bi 0.06642237078869 0.50000000000000 0.85079842809707 208.980 > 25 28 Bi 0.06642237078869 0.75000000000000 0.85079842809707 208.980 > 25 29 Bi 0.93357762921131 0.00000000000000 0.14920157190293 208.980 > 29 30 Bi 0.93357762921131 0.25000000000000 0.14920157190293 208.980 > 29 31 Bi 0.93357762921131 0.50000000000000 0.14920157190293 208.980 > 29 32 Bi 0.93357762921131 0.75000000000000 0.14920157190293 208.980 > 29 33 Bi 0.66903913611818 0.12500000000000 0.49318507656389 208.980 > 1 34 Bi 0.66903913611818 0.37500000000000 0.49318507656389 208.980 > 1 35 Bi 0.66903913611818 0.62500000000000 0.49318507656389 208.980 > 1 36 Bi 0.66903913611818 0.87500000000000 0.49318507656389 208.980 > 1 37 Bi 0.33096086388182 0.12500000000000 0.50681492343611 208.980 > 5 38 Bi 0.33096086388182 0.37500000000000 0.50681492343611 208.980 > 5 39 Bi 0.33096086388182 0.62500000000000 0.50681492343611 208.980 > 5 40 Bi 0.33096086388182 0.87500000000000 0.50681492343611 208.980 > 5 41 Bi 0.17554531429926 0.00000000000000 0.00749972508446 208.980 > 9 42 Bi 0.17554531429926 0.25000000000000 0.00749972508446 208.980 > 9 43 Bi 0.17554531429926 0.50000000000000 0.00749972508446 208.980 > 9 44 Bi 0.17554531429926 0.75000000000000 0.00749972508446 208.980 > 9 45 Bi 0.70019665581455 0.12500000000000 0.64944377223185 208.980 > 13 46 Bi 0.70019665581455 0.37500000000000 0.64944377223185 208.980 > 13 47 Bi 0.70019665581455 0.62500000000000 0.64944377223185 208.980 > 13 48 Bi 0.70019665581455 0.87500000000000 0.64944377223185 208.980 > 13 49 Bi 0.29980334418545 0.12500000000000 0.35055622776815 208.980 > 17 50 Bi 0.29980334418545 0.37500000000000 0.35055622776815 208.980 > 17 51 Bi 0.29980334418545 0.62500000000000 0.35055622776815 208.980 > 17 52 Bi 0.29980334418545 0.87500000000000 0.35055622776815 208.980 > 17 53 Bi 0.82445468570074 0.00000000000000 0.99250027491554 208.980 > 21 54 Bi 0.82445468570074 0.25000000000000 0.99250027491554 208.980 > 21 55 Bi 0.82445468570074 0.50000000000000 0.99250027491554 208.980 > 21 56 Bi 0.82445468570074 0.75000000000000 0.99250027491554 208.980 > 21 57 Bi 0.56642237078869 0.12500000000000 0.85079842809707 208.980 > 25 58 Bi 0.56642237078869 0.37500000000000 0.85079842809707 208.980 > 25 59 Bi 0.56642237078869 0.62500000000000 0.85079842809707 208.980 > 25 60 Bi 0.56642237078869 0.87500000000000 0.85079842809707 208.980 > 25 61 Bi 0.43357762921131 0.12500000000000 0.14920157190293 208.980 > 29 62 Bi 0.43357762921131 0.37500000000000 0.14920157190293 208.980 > 29 63 Bi 0.43357762921131 0.62500000000000 0.14920157190293 208.980 > 29 64 Bi 0.43357762921131 0.87500000000000 0.14920157190293 208.980 > 29 65 Br 0.14471338896906 0.00000000000000 0.31288107505592 79.904 > 65 66 Br 0.14471338896906 0.25000000000000 0.31288107505592 79.904 > 65 67 Br 0.14471338896906 0.50000000000000 0.31288107505592 79.904 > 65 68 Br 0.14471338896906 0.75000000000000 0.31288107505592 79.904 > 65 69 Br 0.44086243779625 0.00000000000000 0.88243558441530 79.904 > 69 70 Br 0.44086243779625 0.25000000000000 0.88243558441530 79.904 > 69 71 Br 0.44086243779625 0.50000000000000 0.88243558441530 79.904 > 69 72 Br 0.44086243779625 0.75000000000000 0.88243558441530 79.904 > 69 73 Br 0.95434750255172 0.12500000000000 0.38924635008831 79.904 > 73 74 Br 0.95434750255172 0.37500000000000 0.38924635008831 79.904 > 73 75 Br 0.95434750255172 0.62500000000000 0.38924635008831 79.904 > 73 76 Br 0.95434750255172 0.87500000000000 0.38924635008831 79.904 > 73 77 Br 0.04565249744828 0.12500000000000 0.61075364991169 79.904 > 77 78 Br 0.04565249744828 0.37500000000000 0.61075364991169 79.904 > 77 79 Br 0.04565249744828 0.62500000000000 0.61075364991169 79.904 > 77 80 Br 0.04565249744828 0.87500000000000 0.61075364991169 79.904 > 77 81 Br 0.55913756220375 0.00000000000000 0.11756441558470 79.904 > 81 82 Br 0.55913756220375 0.25000000000000 0.11756441558470 79.904 > 81 83 Br 0.55913756220375 0.50000000000000 0.11756441558470 79.904 > 81 84 Br 0.55913756220375 0.75000000000000 0.11756441558470 79.904 > 81 85 Br 0.18611957368584 0.12500000000000 0.81199969047977 79.904 > 85 86 Br 0.18611957368584 0.37500000000000 0.81199969047977 79.904 > 85 87 Br 0.18611957368584 0.62500000000000 0.81199969047977 79.904 > 85 88 Br 0.18611957368584 0.87500000000000 0.81199969047977 79.904 > 85 89 Br 0.81388042631416 0.12500000000000 0.18800030952023 79.904 > 89 90 Br 0.81388042631416 0.37500000000000 0.18800030952023 79.904 > 89 91 Br 0.81388042631416 0.62500000000000 0.18800030952023 79.904 > 89 92 Br 0.81388042631416 0.87500000000000 0.18800030952023 79.904 > 89 93 Br 0.85528661103095 0.00000000000000 0.68711892494408 79.904 > 93 94 Br 0.85528661103095 0.25000000000000 0.68711892494408 79.904 > 93 95 Br 0.85528661103095 0.50000000000000 0.68711892494408 79.904 > 93 96 Br 0.85528661103095 0.75000000000000 0.68711892494408 79.904 > 93 97 Br 0.64471338896905 0.12500000000000 0.31288107505592 79.904 > 65 98 Br 0.64471338896905 0.37500000000000 0.31288107505592 79.904 > 65 99 Br 0.64471338896905 0.62500000000000 0.31288107505592 79.904 > 65 100 Br 0.64471338896905 0.87500000000000 0.31288107505592 79.904 > 65 101 Br 0.94086243779625 0.12500000000000 0.88243558441530 79.904 > 69 102 Br 0.94086243779625 0.37500000000000 0.88243558441530 79.904 > 69 103 Br 0.94086243779625 0.62500000000000 0.88243558441530 79.904 > 69 104 Br 0.94086243779625 0.87500000000000 0.88243558441530 79.904 > 69 105 Br 0.45434750255172 0.00000000000000 0.38924635008831 79.904 > 73 106 Br 0.45434750255172 0.25000000000000 0.38924635008831 79.904 > 73 107 Br 0.45434750255172 0.50000000000000 0.38924635008831 79.904 > 73 108 Br 0.45434750255172 0.75000000000000 0.38924635008831 79.904 > 73 109 Br 0.54565249744828 0.00000000000000 0.61075364991169 79.904 > 77 110 Br 0.54565249744828 0.25000000000000 0.61075364991169 79.904 > 77 111 Br 0.54565249744828 0.50000000000000 0.61075364991169 79.904 > 77 112 Br 0.54565249744828 0.75000000000000 0.61075364991169 79.904 > 77 113 Br 0.05913756220375 0.12500000000000 0.11756441558470 79.904 > 81 114 Br 0.05913756220375 0.37500000000000 0.11756441558470 79.904 > 81 115 Br 0.05913756220375 0.62500000000000 0.11756441558470 79.904 > 81 116 Br 0.05913756220375 0.87500000000000 0.11756441558470 79.904 > 81 117 Br 0.68611957368584 0.00000000000000 0.81199969047977 79.904 > 85 118 Br 0.68611957368584 0.25000000000000 0.81199969047977 79.904 > 85 119 Br 0.68611957368584 0.50000000000000 0.81199969047977 79.904 > 85 120 Br 0.68611957368584 0.75000000000000 0.81199969047977 79.904 > 85 121 Br 0.31388042631416 0.00000000000000 0.18800030952023 79.904 > 89 122 Br 0.31388042631416 0.25000000000000 0.18800030952023 79.904 > 89 123 Br 0.31388042631416 0.50000000000000 0.18800030952023 79.904 > 89 124 Br 0.31388042631416 0.75000000000000 0.18800030952023 79.904 > 89 125 Br 0.35528661103094 0.12500000000000 0.68711892494408 79.904 > 93 126 Br 0.35528661103094 0.37500000000000 0.68711892494408 79.904 > 93 127 Br 0.35528661103094 0.62500000000000 0.68711892494408 79.904 > 93 128 Br 0.35528661103094 0.87500000000000 0.68711892494408 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.2347101 0.0000000 -0.2272565 0.0000000 15.8055692 0.0000000 -0.2272521 0.0000000 8.5263622 -------------------------- Born effective charges -------------------------- 1 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 2 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 3 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 4 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 5 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 6 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 7 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 8 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 9 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 10 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 11 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 12 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 13 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 14 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 15 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 16 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:13:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:13:08]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.805731721041536 -2.110551090000000 0.000000000000000 b 6.805731721041536 2.110551090000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): 1 Bi 0.16903913611818 0.16903913611818 0.49318507656389 208.980 2 Bi 0.83096086388182 0.83096086388182 0.50681492343611 208.980 3 Bi 0.17554531429926 0.17554531429926 0.00749972508446 208.980 4 Bi 0.20019665581455 0.20019665581455 0.64944377223185 208.980 5 Bi 0.79980334418545 0.79980334418545 0.35055622776815 208.980 6 Bi 0.82445468570074 0.82445468570074 0.99250027491554 208.980 7 Bi 0.06642237078869 0.06642237078869 0.85079842809707 208.980 8 Bi 0.93357762921131 0.93357762921131 0.14920157190293 208.980 9 Br 0.14471338896906 0.14471338896906 0.31288107505592 79.904 10 Br 0.44086243779625 0.44086243779625 0.88243558441530 79.904 11 Br 0.45434750255172 0.45434750255172 0.38924635008831 79.904 12 Br 0.54565249744828 0.54565249744828 0.61075364991169 79.904 13 Br 0.55913756220375 0.55913756220375 0.11756441558470 79.904 14 Br 0.68611957368584 0.68611957368584 0.81199969047977 79.904 15 Br 0.31388042631416 0.31388042631416 0.18800030952023 79.904 16 Br 0.85528661103095 0.85528661103095 0.68711892494408 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.611463442083071 0.000000000000000 0.000000000000000 b 0.000000000000000 16.884408720000000 0.000000000000000 c -6.150662546436998 0.000000000000000 19.179625970157524 Atomic positions (fractional): 1 Bi 0.16903913611818 0.00000000000000 0.49318507656389 208.980 > 1 2 Bi 0.16903913611818 0.25000000000000 0.49318507656389 208.980 > 1 3 Bi 0.16903913611818 0.50000000000000 0.49318507656389 208.980 > 1 4 Bi 0.16903913611818 0.75000000000000 0.49318507656389 208.980 > 1 5 Bi 0.83096086388182 0.00000000000000 0.50681492343611 208.980 > 5 6 Bi 0.83096086388182 0.25000000000000 0.50681492343611 208.980 > 5 7 Bi 0.83096086388182 0.50000000000000 0.50681492343611 208.980 > 5 8 Bi 0.83096086388182 0.75000000000000 0.50681492343611 208.980 > 5 9 Bi 0.67554531429926 0.12500000000000 0.00749972508446 208.980 > 9 10 Bi 0.67554531429926 0.37500000000000 0.00749972508446 208.980 > 9 11 Bi 0.67554531429926 0.62500000000000 0.00749972508446 208.980 > 9 12 Bi 0.67554531429926 0.87500000000000 0.00749972508446 208.980 > 9 13 Bi 0.20019665581455 0.00000000000000 0.64944377223185 208.980 > 13 14 Bi 0.20019665581455 0.25000000000000 0.64944377223185 208.980 > 13 15 Bi 0.20019665581455 0.50000000000000 0.64944377223185 208.980 > 13 16 Bi 0.20019665581455 0.75000000000000 0.64944377223185 208.980 > 13 17 Bi 0.79980334418545 0.00000000000000 0.35055622776815 208.980 > 17 18 Bi 0.79980334418545 0.25000000000000 0.35055622776815 208.980 > 17 19 Bi 0.79980334418545 0.50000000000000 0.35055622776815 208.980 > 17 20 Bi 0.79980334418545 0.75000000000000 0.35055622776815 208.980 > 17 21 Bi 0.32445468570074 0.12500000000000 0.99250027491554 208.980 > 21 22 Bi 0.32445468570074 0.37500000000000 0.99250027491554 208.980 > 21 23 Bi 0.32445468570074 0.62500000000000 0.99250027491554 208.980 > 21 24 Bi 0.32445468570074 0.87500000000000 0.99250027491554 208.980 > 21 25 Bi 0.06642237078869 0.00000000000000 0.85079842809707 208.980 > 25 26 Bi 0.06642237078869 0.25000000000000 0.85079842809707 208.980 > 25 27 Bi 0.06642237078869 0.50000000000000 0.85079842809707 208.980 > 25 28 Bi 0.06642237078869 0.75000000000000 0.85079842809707 208.980 > 25 29 Bi 0.93357762921131 0.00000000000000 0.14920157190293 208.980 > 29 30 Bi 0.93357762921131 0.25000000000000 0.14920157190293 208.980 > 29 31 Bi 0.93357762921131 0.50000000000000 0.14920157190293 208.980 > 29 32 Bi 0.93357762921131 0.75000000000000 0.14920157190293 208.980 > 29 33 Bi 0.66903913611818 0.12500000000000 0.49318507656389 208.980 > 1 34 Bi 0.66903913611818 0.37500000000000 0.49318507656389 208.980 > 1 35 Bi 0.66903913611818 0.62500000000000 0.49318507656389 208.980 > 1 36 Bi 0.66903913611818 0.87500000000000 0.49318507656389 208.980 > 1 37 Bi 0.33096086388182 0.12500000000000 0.50681492343611 208.980 > 5 38 Bi 0.33096086388182 0.37500000000000 0.50681492343611 208.980 > 5 39 Bi 0.33096086388182 0.62500000000000 0.50681492343611 208.980 > 5 40 Bi 0.33096086388182 0.87500000000000 0.50681492343611 208.980 > 5 41 Bi 0.17554531429926 0.00000000000000 0.00749972508446 208.980 > 9 42 Bi 0.17554531429926 0.25000000000000 0.00749972508446 208.980 > 9 43 Bi 0.17554531429926 0.50000000000000 0.00749972508446 208.980 > 9 44 Bi 0.17554531429926 0.75000000000000 0.00749972508446 208.980 > 9 45 Bi 0.70019665581455 0.12500000000000 0.64944377223185 208.980 > 13 46 Bi 0.70019665581455 0.37500000000000 0.64944377223185 208.980 > 13 47 Bi 0.70019665581455 0.62500000000000 0.64944377223185 208.980 > 13 48 Bi 0.70019665581455 0.87500000000000 0.64944377223185 208.980 > 13 49 Bi 0.29980334418545 0.12500000000000 0.35055622776815 208.980 > 17 50 Bi 0.29980334418545 0.37500000000000 0.35055622776815 208.980 > 17 51 Bi 0.29980334418545 0.62500000000000 0.35055622776815 208.980 > 17 52 Bi 0.29980334418545 0.87500000000000 0.35055622776815 208.980 > 17 53 Bi 0.82445468570074 0.00000000000000 0.99250027491554 208.980 > 21 54 Bi 0.82445468570074 0.25000000000000 0.99250027491554 208.980 > 21 55 Bi 0.82445468570074 0.50000000000000 0.99250027491554 208.980 > 21 56 Bi 0.82445468570074 0.75000000000000 0.99250027491554 208.980 > 21 57 Bi 0.56642237078869 0.12500000000000 0.85079842809707 208.980 > 25 58 Bi 0.56642237078869 0.37500000000000 0.85079842809707 208.980 > 25 59 Bi 0.56642237078869 0.62500000000000 0.85079842809707 208.980 > 25 60 Bi 0.56642237078869 0.87500000000000 0.85079842809707 208.980 > 25 61 Bi 0.43357762921131 0.12500000000000 0.14920157190293 208.980 > 29 62 Bi 0.43357762921131 0.37500000000000 0.14920157190293 208.980 > 29 63 Bi 0.43357762921131 0.62500000000000 0.14920157190293 208.980 > 29 64 Bi 0.43357762921131 0.87500000000000 0.14920157190293 208.980 > 29 65 Br 0.14471338896906 0.00000000000000 0.31288107505592 79.904 > 65 66 Br 0.14471338896906 0.25000000000000 0.31288107505592 79.904 > 65 67 Br 0.14471338896906 0.50000000000000 0.31288107505592 79.904 > 65 68 Br 0.14471338896906 0.75000000000000 0.31288107505592 79.904 > 65 69 Br 0.44086243779625 0.00000000000000 0.88243558441530 79.904 > 69 70 Br 0.44086243779625 0.25000000000000 0.88243558441530 79.904 > 69 71 Br 0.44086243779625 0.50000000000000 0.88243558441530 79.904 > 69 72 Br 0.44086243779625 0.75000000000000 0.88243558441530 79.904 > 69 73 Br 0.95434750255172 0.12500000000000 0.38924635008831 79.904 > 73 74 Br 0.95434750255172 0.37500000000000 0.38924635008831 79.904 > 73 75 Br 0.95434750255172 0.62500000000000 0.38924635008831 79.904 > 73 76 Br 0.95434750255172 0.87500000000000 0.38924635008831 79.904 > 73 77 Br 0.04565249744828 0.12500000000000 0.61075364991169 79.904 > 77 78 Br 0.04565249744828 0.37500000000000 0.61075364991169 79.904 > 77 79 Br 0.04565249744828 0.62500000000000 0.61075364991169 79.904 > 77 80 Br 0.04565249744828 0.87500000000000 0.61075364991169 79.904 > 77 81 Br 0.55913756220375 0.00000000000000 0.11756441558470 79.904 > 81 82 Br 0.55913756220375 0.25000000000000 0.11756441558470 79.904 > 81 83 Br 0.55913756220375 0.50000000000000 0.11756441558470 79.904 > 81 84 Br 0.55913756220375 0.75000000000000 0.11756441558470 79.904 > 81 85 Br 0.18611957368584 0.12500000000000 0.81199969047977 79.904 > 85 86 Br 0.18611957368584 0.37500000000000 0.81199969047977 79.904 > 85 87 Br 0.18611957368584 0.62500000000000 0.81199969047977 79.904 > 85 88 Br 0.18611957368584 0.87500000000000 0.81199969047977 79.904 > 85 89 Br 0.81388042631416 0.12500000000000 0.18800030952023 79.904 > 89 90 Br 0.81388042631416 0.37500000000000 0.18800030952023 79.904 > 89 91 Br 0.81388042631416 0.62500000000000 0.18800030952023 79.904 > 89 92 Br 0.81388042631416 0.87500000000000 0.18800030952023 79.904 > 89 93 Br 0.85528661103095 0.00000000000000 0.68711892494408 79.904 > 93 94 Br 0.85528661103095 0.25000000000000 0.68711892494408 79.904 > 93 95 Br 0.85528661103095 0.50000000000000 0.68711892494408 79.904 > 93 96 Br 0.85528661103095 0.75000000000000 0.68711892494408 79.904 > 93 97 Br 0.64471338896905 0.12500000000000 0.31288107505592 79.904 > 65 98 Br 0.64471338896905 0.37500000000000 0.31288107505592 79.904 > 65 99 Br 0.64471338896905 0.62500000000000 0.31288107505592 79.904 > 65 100 Br 0.64471338896905 0.87500000000000 0.31288107505592 79.904 > 65 101 Br 0.94086243779625 0.12500000000000 0.88243558441530 79.904 > 69 102 Br 0.94086243779625 0.37500000000000 0.88243558441530 79.904 > 69 103 Br 0.94086243779625 0.62500000000000 0.88243558441530 79.904 > 69 104 Br 0.94086243779625 0.87500000000000 0.88243558441530 79.904 > 69 105 Br 0.45434750255172 0.00000000000000 0.38924635008831 79.904 > 73 106 Br 0.45434750255172 0.25000000000000 0.38924635008831 79.904 > 73 107 Br 0.45434750255172 0.50000000000000 0.38924635008831 79.904 > 73 108 Br 0.45434750255172 0.75000000000000 0.38924635008831 79.904 > 73 109 Br 0.54565249744828 0.00000000000000 0.61075364991169 79.904 > 77 110 Br 0.54565249744828 0.25000000000000 0.61075364991169 79.904 > 77 111 Br 0.54565249744828 0.50000000000000 0.61075364991169 79.904 > 77 112 Br 0.54565249744828 0.75000000000000 0.61075364991169 79.904 > 77 113 Br 0.05913756220375 0.12500000000000 0.11756441558470 79.904 > 81 114 Br 0.05913756220375 0.37500000000000 0.11756441558470 79.904 > 81 115 Br 0.05913756220375 0.62500000000000 0.11756441558470 79.904 > 81 116 Br 0.05913756220375 0.87500000000000 0.11756441558470 79.904 > 81 117 Br 0.68611957368584 0.00000000000000 0.81199969047977 79.904 > 85 118 Br 0.68611957368584 0.25000000000000 0.81199969047977 79.904 > 85 119 Br 0.68611957368584 0.50000000000000 0.81199969047977 79.904 > 85 120 Br 0.68611957368584 0.75000000000000 0.81199969047977 79.904 > 85 121 Br 0.31388042631416 0.00000000000000 0.18800030952023 79.904 > 89 122 Br 0.31388042631416 0.25000000000000 0.18800030952023 79.904 > 89 123 Br 0.31388042631416 0.50000000000000 0.18800030952023 79.904 > 89 124 Br 0.31388042631416 0.75000000000000 0.18800030952023 79.904 > 89 125 Br 0.35528661103094 0.12500000000000 0.68711892494408 79.904 > 93 126 Br 0.35528661103094 0.37500000000000 0.68711892494408 79.904 > 93 127 Br 0.35528661103094 0.62500000000000 0.68711892494408 79.904 > 93 128 Br 0.35528661103094 0.87500000000000 0.68711892494408 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.2347101 0.0000000 -0.2272565 0.0000000 15.8055692 0.0000000 -0.2272521 0.0000000 8.5263622 -------------------------- Born effective charges -------------------------- 1 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 2 Bi 0.4202378 0.0000000 0.3574690 0.0000000 0.3451425 0.0000000 -0.1538988 0.0000000 0.2704459 3 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 4 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 5 Bi 2.3978233 0.0000000 -0.1883273 0.0000000 5.5895126 0.0000000 0.6933755 0.0000000 1.4021057 6 Bi 0.4539687 0.0000000 -0.4508271 0.0000000 0.2259050 0.0000000 0.0823463 0.0000000 0.1594924 7 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 8 Bi 2.6620337 0.0000000 0.3131559 0.0000000 5.5304088 0.0000000 -0.4501053 0.0000000 1.4452029 9 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 10 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 11 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 12 Br -1.5844482 0.0000000 -0.0785886 0.0000000 -3.3283324 0.0000000 -0.2564171 0.0000000 -0.5635965 13 Br -1.6692335 0.0000000 0.0928364 0.0000000 -3.2628656 0.0000000 0.1138707 0.0000000 -0.4023513 14 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 15 Br -1.2996050 0.0000000 0.3411362 0.0000000 -2.5480561 0.0000000 0.7388998 0.0000000 -1.0506277 16 Br -1.3807769 0.0000000 -0.3868545 0.0000000 -2.5517149 0.0000000 -0.7680711 0.0000000 -1.2606715 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 12 12 3 ] 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: 0.51, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 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 0.066 ( 0.000 0.000 0.000) 0.000 0.391 ( 0.000 0.000 0.000) 0.000 0.492 ( 0.000 0.000 0.000) 0.000 0.618 ( 0.000 0.000 0.000) 0.000 0.740 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 0.795 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/121) ======================= q-point: ( 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.173 ( 2.996 -9.551 0.808) 10.043 0.180 ( 2.579 -9.449 1.619) 9.927 0.421 ( -0.219 -4.767 -0.320) 4.783 0.450 ( 2.155 -6.424 1.414) 6.922 0.524 ( 3.641 -21.166 -0.857) 21.494 0.562 ( 0.183 -16.297 0.479) 16.305 0.597 ( 2.351 -2.608 -1.076) 3.672 0.744 ( -0.534 -1.040 -1.351) 1.787 0.915 ( -0.054 -3.124 1.055) 3.298 0.953 ( 0.266 -13.696 0.241) 13.701 0.966 ( -0.177 -14.205 0.002) 14.206 1.136 ( -1.847 -0.880 0.281) 2.065 1.169 ( -0.817 0.184 -0.643) 1.056 1.232 ( -0.227 -4.510 -0.206) 4.521 1.254 ( -0.952 -6.354 0.064) 6.425 1.295 ( -1.273 -1.941 0.298) 2.341 1.328 ( 2.708 0.829 -0.557) 2.887 1.421 ( 0.648 0.506 0.301) 0.875 1.504 ( 0.138 -0.354 0.254) 0.457 1.624 ( 0.382 -0.002 -0.062) 0.387 1.985 ( -0.087 0.758 0.126) 0.774 2.045 ( -0.298 2.215 -0.099) 2.237 2.129 ( 0.054 2.344 0.329) 2.368 2.147 ( 0.186 1.299 -0.333) 1.354 2.641 ( 0.316 -22.897 0.074) 22.899 2.718 ( -0.637 -28.555 -1.121) 28.584 2.835 ( -1.842 -32.191 2.278) 32.324 3.305 ( -10.016 -5.712 -1.891) 11.684 3.332 ( 0.125 -0.109 0.042) 0.171 3.360 ( 0.684 -0.083 -0.147) 0.705 3.430 ( 0.099 -0.026 0.033) 0.107 3.442 ( -0.116 -0.756 -0.084) 0.770 3.496 ( 0.608 1.193 0.632) 1.481 3.514 ( -0.214 0.227 0.057) 0.317 3.552 ( 0.029 1.184 -0.092) 1.187 3.605 ( -1.275 1.234 -0.050) 1.775 3.620 ( -1.385 1.814 -0.082) 2.283 3.739 ( -15.565 -7.934 -3.187) 17.759 3.935 ( -0.792 2.681 -0.316) 2.813 3.952 ( -0.138 3.365 0.146) 3.371 3.999 ( 1.437 2.513 0.767) 2.994 4.075 ( -2.408 2.717 0.018) 3.631 4.085 ( -0.580 2.105 -0.162) 2.190 4.120 ( -1.603 3.134 0.163) 3.524 4.198 ( 8.265 6.648 2.694) 10.944 4.236 ( 4.076 6.408 -2.376) 7.957 4.303 ( 3.722 5.792 0.430) 6.899 4.367 ( 0.829 8.367 -0.256) 8.412 ======================= Grid point 2 (3/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 2.610 -8.837 2.282) 9.493 0.419 ( -0.520 -13.103 0.117) 13.114 0.547 ( 1.499 -7.436 -3.181) 8.226 0.557 ( -0.623 -8.313 3.275) 8.957 0.653 ( 0.618 -4.865 -2.003) 5.297 0.742 ( -0.317 -4.168 -1.065) 4.313 0.925 ( -1.049 -10.193 0.250) 10.249 0.961 ( 0.225 -13.724 0.226) 13.728 0.972 ( 0.827 -6.723 1.397) 6.916 1.154 ( -2.606 -2.684 0.258) 3.750 1.180 ( -0.828 -5.557 -0.791) 5.674 1.254 ( -0.791 -11.248 0.262) 11.279 1.284 ( -0.478 -12.450 -0.358) 12.464 1.309 ( 0.387 -7.097 0.089) 7.108 1.316 ( 2.482 -2.229 -1.369) 3.606 1.373 ( 0.833 -4.062 0.437) 4.169 1.399 ( 0.608 -5.032 0.166) 5.071 1.416 ( 1.308 0.575 0.408) 1.486 1.539 ( -0.547 -4.491 0.260) 4.531 1.647 ( -0.435 -2.864 -0.087) 2.899 1.971 ( -0.213 0.540 0.112) 0.591 2.013 ( -0.098 1.012 -0.111) 1.023 2.093 ( 0.006 1.643 0.352) 1.681 2.120 ( 0.446 1.396 -0.316) 1.499 3.132 ( 0.341 -21.411 0.334) 21.417 3.191 ( -1.174 -12.287 -0.636) 12.360 3.284 ( -1.363 -7.499 0.357) 7.630 3.317 ( -1.565 3.460 -0.062) 3.798 3.335 ( 0.131 -0.021 -0.069) 0.149 3.343 ( 0.195 1.615 -0.430) 1.682 3.404 ( -1.358 1.127 -0.592) 1.861 3.439 ( -2.037 -0.574 -0.175) 2.124 3.501 ( -1.723 -0.806 0.842) 2.080 3.517 ( 0.603 -4.205 -3.214) 5.327 3.552 ( -0.461 -5.928 4.163) 7.258 3.584 ( -1.279 -0.923 0.071) 1.578 3.597 ( 0.373 -1.546 0.751) 1.758 3.783 ( -6.431 -1.940 -1.416) 6.865 3.861 ( -1.303 3.932 -0.147) 4.145 3.862 ( -0.288 5.056 -0.449) 5.085 3.938 ( 0.867 4.732 1.250) 4.971 3.994 ( -2.458 3.554 0.049) 4.321 4.016 ( -1.959 4.568 0.351) 4.983 4.038 ( -1.845 3.215 -0.145) 3.709 4.085 ( 2.649 7.754 -0.169) 8.196 4.104 ( 2.641 8.081 0.673) 8.528 4.166 ( 2.650 11.229 -0.880) 11.571 4.226 ( 3.909 2.878 -0.674) 4.901 ======================= Grid point 3 (4/121) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.623 -8.161 1.853) 8.392 0.650 ( -2.964 -10.207 -0.046) 10.629 0.717 ( -0.289 -8.941 -0.878) 8.988 0.745 ( -1.959 -9.805 0.659) 10.021 0.771 ( -0.776 -7.584 -1.418) 7.754 0.834 ( -2.094 -5.578 -0.852) 6.019 1.019 ( -0.394 -2.781 0.362) 2.832 1.070 ( 0.090 -4.511 1.355) 4.711 1.134 ( -0.530 -3.374 0.176) 3.419 1.198 ( -1.281 -3.681 -0.971) 4.017 1.271 ( -0.267 2.336 -0.154) 2.357 1.364 ( -0.423 -6.418 -1.750) 6.665 1.371 ( -0.270 -0.891 1.632) 1.879 1.409 ( -0.709 -1.878 -0.412) 2.049 1.434 ( 0.705 -2.434 0.354) 2.559 1.439 ( -0.668 -6.282 0.070) 6.318 1.555 ( 0.790 -11.246 0.197) 11.275 1.584 ( 0.091 -10.816 -0.079) 10.817 1.663 ( -0.561 -6.740 0.117) 6.765 1.729 ( -0.594 -5.112 -0.121) 5.148 1.962 ( -0.261 0.102 0.083) 0.292 2.000 ( 0.119 0.387 -0.080) 0.413 2.067 ( -0.013 0.861 0.087) 0.865 2.101 ( 0.585 0.728 0.019) 0.934 3.084 ( -1.654 14.184 -0.053) 14.281 3.124 ( -1.774 14.047 0.213) 14.160 3.139 ( 1.147 13.213 -0.092) 13.263 3.181 ( 0.874 13.109 -0.078) 13.138 3.341 ( 0.008 -0.222 0.133) 0.259 3.348 ( -0.105 -0.738 -0.186) 0.769 3.426 ( -0.451 1.118 0.344) 1.254 3.470 ( -0.366 1.852 -0.499) 1.953 3.564 ( 0.610 -5.521 0.430) 5.572 3.596 ( -0.397 -2.171 -0.491) 2.261 3.666 ( -0.842 -7.728 0.147) 7.775 3.700 ( -1.261 0.265 -0.106) 1.293 3.729 ( -0.037 1.890 -0.433) 1.939 3.742 ( -0.488 4.258 0.391) 4.304 3.777 ( -1.858 -7.599 -1.857) 8.040 3.794 ( -0.477 0.706 -1.903) 2.085 3.845 ( 0.125 4.451 0.935) 4.550 3.887 ( 1.060 3.453 3.240) 4.852 3.899 ( -0.286 6.603 0.234) 6.613 3.940 ( -0.045 4.758 -0.153) 4.761 3.978 ( -0.232 2.678 0.432) 2.723 4.009 ( 0.889 2.034 0.696) 2.326 4.067 ( -0.892 -2.181 0.489) 2.407 4.254 ( -4.188 -4.447 -1.841) 6.380 ======================= Grid point 4 (5/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.084 -7.464 1.197) 7.637 0.782 ( -4.585 -6.083 0.005) 7.617 0.838 ( -2.760 -4.287 -0.241) 5.104 0.878 ( -3.677 -4.023 -0.783) 5.506 0.927 ( -1.508 -6.978 1.034) 7.214 0.931 ( -2.323 -7.252 -1.333) 7.731 1.043 ( 1.683 0.347 -0.043) 1.718 1.152 ( -1.381 -0.811 0.735) 1.762 1.160 ( -0.426 -0.379 -0.239) 0.619 1.240 ( -0.624 -1.910 0.387) 2.046 1.276 ( 0.074 -3.861 -0.353) 3.878 1.330 ( -0.259 0.787 -0.573) 1.007 1.387 ( 0.325 2.611 0.365) 2.656 1.405 ( 0.147 1.043 -0.318) 1.100 1.528 ( -2.095 -4.290 0.192) 4.778 1.570 ( -1.971 -5.018 -0.058) 5.391 1.731 ( -1.383 -6.287 0.026) 6.437 1.743 ( -1.825 -6.765 -0.034) 7.007 1.774 ( -0.426 -4.620 0.261) 4.647 1.820 ( -0.348 -4.069 -0.295) 4.094 1.972 ( 0.082 -1.290 -0.053) 1.294 2.000 ( 0.272 -0.357 0.052) 0.452 2.067 ( 0.276 -0.918 0.043) 0.959 2.098 ( 0.543 -0.114 0.129) 0.570 2.736 ( -1.459 18.563 -0.119) 18.621 2.778 ( -1.438 18.678 0.218) 18.735 2.817 ( 0.992 18.943 -0.030) 18.969 2.856 ( 0.810 19.194 -0.053) 19.211 3.346 ( -0.159 -0.351 0.281) 0.477 3.357 ( -0.365 -0.373 -0.329) 0.616 3.398 ( 0.073 1.415 0.315) 1.451 3.428 ( -0.205 1.953 -0.506) 2.028 3.593 ( 0.007 4.261 0.070) 4.262 3.605 ( -0.333 1.089 0.208) 1.158 3.608 ( -0.542 2.655 -0.231) 2.719 3.622 ( -0.095 4.603 -0.139) 4.606 3.648 ( 1.076 0.682 0.342) 1.319 3.687 ( 1.611 4.580 -0.367) 4.869 3.753 ( 0.689 3.356 -0.002) 3.426 3.772 ( 0.900 3.929 0.048) 4.031 3.856 ( 1.594 -1.109 -0.006) 1.942 3.877 ( 1.885 -1.324 -0.119) 2.307 3.896 ( 0.284 0.059 0.036) 0.292 3.920 ( -0.165 -0.473 -0.116) 0.514 4.008 ( -2.487 -4.956 -0.749) 5.595 4.037 ( -2.399 -4.635 1.065) 5.326 4.153 ( -3.508 -5.448 1.881) 6.747 4.291 ( -5.590 -2.156 -1.699) 6.228 ======================= Grid point 5 (6/121) ======================= q-point: ( 0.42 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -3.665 -4.607 0.240) 5.892 0.845 ( -3.563 -3.402 0.750) 4.983 0.873 ( -2.813 -1.508 -0.318) 3.208 0.896 ( -1.458 -0.470 -0.249) 1.552 1.012 ( -1.520 -2.351 -0.420) 2.831 1.025 ( -0.491 -1.573 0.347) 1.684 1.036 ( 1.359 0.559 -0.157) 1.478 1.134 ( -0.893 0.922 -0.789) 1.507 1.139 ( -2.499 -0.965 0.995) 2.858 1.280 ( -0.336 -0.766 -0.256) 0.875 1.300 ( 0.253 3.654 -1.447) 3.938 1.337 ( 0.836 -0.770 1.027) 1.532 1.375 ( 0.217 -1.514 0.189) 1.541 1.417 ( 1.843 -4.347 0.191) 4.725 1.546 ( -2.304 0.895 0.075) 2.473 1.603 ( -1.933 -0.009 -0.229) 1.947 1.802 ( -1.256 -2.176 0.164) 2.518 1.830 ( -0.835 -2.534 -0.675) 2.752 1.847 ( -1.518 -3.497 0.899) 3.916 1.876 ( -0.869 -2.134 -0.363) 2.333 2.009 ( -0.057 -1.987 -0.212) 1.999 2.019 ( 0.209 -1.325 0.189) 1.355 2.100 ( 0.325 -1.622 0.270) 1.676 2.112 ( 0.142 -1.188 -0.111) 1.202 2.400 ( -0.339 13.261 -0.169) 13.267 2.435 ( -0.124 13.810 0.213) 13.812 2.464 ( -0.037 15.053 -0.064) 15.053 2.496 ( 0.079 15.530 -0.011) 15.531 3.353 ( -0.311 -0.414 0.267) 0.582 3.357 ( -0.466 -0.090 -0.219) 0.523 3.376 ( 0.228 0.873 0.245) 0.935 3.392 ( -0.055 1.516 -0.436) 1.578 3.533 ( 0.240 2.053 0.259) 2.083 3.536 ( 0.217 2.159 -0.151) 2.175 3.558 ( 0.366 2.039 0.052) 2.073 3.564 ( -0.271 2.155 -0.095) 2.174 3.665 ( 0.560 -0.896 -0.015) 1.056 3.675 ( 0.653 -0.608 -0.036) 0.893 3.713 ( 0.678 1.333 0.059) 1.497 3.718 ( 0.479 2.065 0.006) 2.120 3.861 ( 1.156 0.576 -0.007) 1.292 3.888 ( 1.386 0.137 0.115) 1.397 3.908 ( 0.557 -0.017 -0.304) 0.635 3.926 ( 0.353 -0.250 0.160) 0.461 4.075 ( -1.722 -2.799 -0.599) 3.340 4.090 ( -1.703 -1.662 0.825) 2.519 4.214 ( -2.646 -2.397 1.047) 3.720 4.269 ( -3.808 0.665 -1.178) 4.041 ======================= Grid point 6 (7/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 -0.000 0.000) 0.000 0.874 ( 0.000 -0.000 -0.000) 0.000 0.880 ( -0.000 -0.000 0.000) 0.000 0.890 ( -0.000 -0.000 0.000) 0.000 1.011 ( 0.000 -0.000 0.000) 0.000 1.030 ( 0.000 -0.000 0.000) 0.000 1.037 ( 0.000 -0.000 -0.000) 0.000 1.119 ( 0.000 -0.000 0.000) 0.000 1.177 ( 0.000 0.000 -0.000) 0.000 1.229 ( -0.000 -0.000 0.000) 0.000 1.304 ( 0.000 -0.000 0.000) 0.000 1.314 ( -0.000 -0.000 0.000) 0.000 1.444 ( 0.000 -0.000 0.000) 0.000 1.492 ( -0.000 0.000 -0.000) 0.000 1.494 ( 0.000 -0.000 0.000) 0.000 1.578 ( -0.000 0.000 -0.000) 0.000 1.815 ( 0.000 -0.000 -0.000) 0.000 1.851 ( 0.000 -0.000 0.000) 0.000 1.875 ( 0.000 -0.000 0.000) 0.000 1.895 ( 0.000 -0.000 -0.000) 0.000 2.031 ( -0.000 -0.000 -0.000) 0.000 2.037 ( 0.000 -0.000 0.000) 0.000 2.119 ( 0.000 -0.000 -0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.256 ( 0.000 -0.000 0.000) 0.000 2.292 ( 0.000 -0.000 -0.000) 0.000 2.299 ( 0.000 -0.000 0.000) 0.000 2.328 ( 0.000 -0.000 0.000) 0.000 3.353 ( -0.000 -0.000 -0.000) 0.000 3.365 ( 0.000 0.000 -0.000) 0.000 3.369 ( -0.000 -0.000 0.000) 0.000 3.369 ( 0.000 0.000 -0.000) 0.000 3.514 ( 0.000 -0.000 0.000) 0.000 3.518 ( 0.000 -0.000 0.000) 0.000 3.539 ( 0.000 -0.000 -0.000) 0.000 3.543 ( -0.000 -0.000 0.000) 0.000 3.681 ( 0.000 -0.000 0.000) 0.000 3.686 ( 0.000 -0.000 0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.702 ( -0.000 -0.000 0.000) 0.000 3.858 ( 0.000 -0.000 -0.000) 0.000 3.894 ( 0.000 -0.000 0.000) 0.000 3.904 ( 0.000 -0.000 0.000) 0.000 3.931 ( 0.000 -0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 -0.000 -0.000) 0.000 4.232 ( 0.000 -0.000 -0.000) 0.000 4.240 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/121) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( 10.099 0.000 3.939) 10.840 0.180 ( 13.078 0.000 -0.469) 13.087 0.187 ( 14.117 0.000 0.390) 14.123 0.189 ( 13.505 0.000 4.939) 14.380 0.427 ( 5.268 0.000 -0.532) 5.295 0.490 ( -0.591 -0.000 1.267) 1.398 0.630 ( 2.220 0.000 -3.666) 4.286 0.739 ( -0.734 -0.000 -1.952) 2.086 0.741 ( 0.152 0.000 0.233) 0.278 0.795 ( 0.033 0.000 -0.211) 0.214 0.922 ( -0.664 -0.000 2.588) 2.672 1.120 ( -0.300 -0.000 0.015) 0.301 1.154 ( -4.451 -0.000 0.437) 4.472 1.169 ( -0.505 -0.000 -0.011) 0.505 1.186 ( -1.282 -0.000 -0.703) 1.462 1.272 ( -2.557 -0.000 -0.278) 2.572 1.374 ( 2.625 0.000 -0.358) 2.649 1.432 ( 0.874 0.000 -0.032) 0.875 1.508 ( 0.925 0.000 0.509) 1.055 1.634 ( 1.217 0.000 -0.149) 1.226 2.000 ( -1.009 -0.000 2.615) 2.803 2.083 ( -1.852 -0.000 -0.241) 1.868 2.161 ( -0.181 -0.000 -0.089) 0.201 2.207 ( -0.809 -0.000 -0.067) 0.811 2.344 ( 1.587 0.000 0.156) 1.595 2.357 ( 1.167 0.000 0.067) 1.169 2.380 ( 1.645 0.000 -0.098) 1.648 2.399 ( 1.231 0.000 -0.124) 1.237 3.333 ( 0.319 0.000 0.037) 0.321 3.367 ( -0.264 -0.000 -0.119) 0.290 3.421 ( -0.680 -0.000 0.035) 0.681 3.429 ( -0.455 -0.000 -0.053) 0.458 3.493 ( 0.853 0.000 0.059) 0.855 3.519 ( 0.884 0.000 0.085) 0.888 3.534 ( 0.458 0.000 -0.046) 0.460 3.564 ( 0.089 0.000 0.004) 0.089 3.621 ( -0.604 -0.000 0.017) 0.605 3.642 ( -0.778 -0.000 -0.007) 0.778 3.961 ( -0.631 -0.000 -0.202) 0.663 3.985 ( -0.460 -0.000 0.368) 0.590 4.024 ( -0.737 -0.000 -0.010) 0.737 4.103 ( -0.777 -0.000 -0.236) 0.812 4.108 ( -0.764 -0.000 0.585) 0.962 4.148 ( -1.197 -0.000 -0.131) 1.204 4.306 ( 3.632 0.000 0.034) 3.632 4.378 ( 2.536 0.000 2.424) 3.508 4.435 ( 5.181 0.000 -3.868) 6.465 4.460 ( 1.128 0.000 -0.553) 1.256 ======================= Grid point 15 (9/121) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( 6.682 -5.290 0.708) 8.552 0.265 ( 7.136 -5.261 4.437) 9.914 0.431 ( 2.306 -5.187 -0.287) 5.683 0.483 ( 1.247 -1.748 1.582) 2.667 0.573 ( 4.096 -10.970 -3.480) 12.216 0.598 ( 5.593 -14.935 1.159) 15.990 0.635 ( 4.568 -9.201 -1.067) 10.328 0.728 ( -0.404 -1.298 -2.196) 2.582 0.917 ( -0.734 -3.530 1.863) 4.058 0.960 ( 0.057 -13.208 0.850) 13.236 0.963 ( 0.217 -14.298 -0.131) 14.301 1.102 ( -3.604 -0.864 0.598) 3.754 1.145 ( -2.273 0.204 -1.028) 2.503 1.224 ( -0.562 -3.268 -1.069) 3.484 1.241 ( -1.072 -7.913 0.097) 7.986 1.282 ( -0.937 -3.947 0.199) 4.061 1.364 ( 3.234 1.438 -0.700) 3.608 1.436 ( 1.315 0.223 0.629) 1.474 1.508 ( 0.105 0.198 0.803) 0.833 1.631 ( 0.800 0.592 -0.300) 1.040 1.983 ( -0.248 0.825 0.325) 0.920 2.038 ( -0.698 1.704 -0.298) 1.866 2.132 ( 0.060 2.262 0.945) 2.452 2.149 ( 0.524 1.251 -0.921) 1.640 2.648 ( 0.747 -22.817 0.139) 22.830 2.702 ( -0.750 -26.767 -1.731) 26.833 2.809 ( -4.142 -30.619 3.999) 31.156 3.082 ( -19.751 -27.786 -3.758) 34.297 3.335 ( 0.327 -0.035 0.133) 0.355 3.361 ( -0.037 0.268 -0.366) 0.456 3.427 ( -0.607 -0.308 0.022) 0.680 3.438 ( -0.528 -0.712 -0.120) 0.895 3.499 ( -1.345 0.605 0.866) 1.710 3.515 ( 0.509 0.979 -0.257) 1.133 3.544 ( -3.647 -1.181 -0.458) 3.861 3.553 ( 0.187 0.971 -0.129) 0.998 3.609 ( -0.414 1.059 0.116) 1.143 3.642 ( -1.647 -1.573 -0.629) 2.363 3.926 ( -0.729 2.852 -0.284) 2.957 3.950 ( -0.474 3.219 0.426) 3.281 3.999 ( -0.981 1.871 0.012) 2.112 4.059 ( -0.862 4.045 0.603) 4.180 4.070 ( -1.510 2.471 -0.432) 2.928 4.101 ( -1.258 3.615 0.054) 3.828 4.267 ( 5.034 6.436 -0.081) 8.171 4.302 ( 4.412 8.247 1.112) 9.419 4.375 ( 5.580 7.315 -1.264) 9.287 4.390 ( 4.361 7.085 -0.218) 8.323 ======================= Grid point 16 (10/121) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.593 -9.852 0.791) 9.901 0.435 ( 3.854 -7.268 3.837) 9.077 0.544 ( 0.241 -7.054 -2.499) 7.487 0.568 ( 0.052 -6.381 2.027) 6.695 0.652 ( 1.029 -4.217 -3.652) 5.673 0.732 ( -0.650 -3.002 -1.134) 3.274 0.916 ( -0.903 -8.227 0.886) 8.324 0.963 ( -0.020 -10.286 0.230) 10.288 0.988 ( 0.815 -8.518 1.439) 8.677 1.118 ( -3.198 -3.250 0.071) 4.560 1.167 ( -0.448 -6.791 -0.609) 6.833 1.247 ( -0.280 -8.476 0.050) 8.480 1.275 ( -0.767 -11.245 -0.405) 11.278 1.309 ( 0.027 -10.575 -1.069) 10.629 1.347 ( 2.784 -1.081 -0.532) 3.034 1.388 ( 1.331 -4.282 0.302) 4.494 1.409 ( 0.909 -6.123 0.248) 6.195 1.439 ( 1.875 0.257 0.678) 2.010 1.530 ( -1.129 -4.050 0.438) 4.227 1.639 ( -0.665 -2.267 -0.274) 2.378 1.968 ( -0.374 0.591 0.147) 0.714 2.011 ( -0.179 0.800 -0.171) 0.837 2.095 ( 0.046 1.816 0.635) 1.925 2.125 ( 0.711 1.260 -0.533) 1.542 3.136 ( -0.110 -20.882 0.406) 20.886 3.172 ( -1.308 -14.546 -0.659) 14.620 3.260 ( -2.640 -10.681 0.312) 11.007 3.286 ( -3.366 -2.072 -0.444) 3.977 3.335 ( -0.096 0.385 -0.425) 0.582 3.342 ( 0.001 1.049 -0.338) 1.103 3.387 ( -0.842 1.960 0.493) 2.189 3.422 ( -1.073 1.103 0.212) 1.553 3.469 ( -3.660 -2.400 0.660) 4.426 3.513 ( 0.032 -0.360 -1.521) 1.563 3.556 ( -2.757 -4.121 0.770) 5.017 3.558 ( -0.873 -2.179 0.346) 2.373 3.603 ( -0.294 -2.387 1.552) 2.863 3.689 ( -6.489 -5.352 -1.439) 8.534 3.850 ( -0.463 4.151 -0.271) 4.185 3.861 ( -0.206 5.463 0.207) 5.471 3.943 ( -0.569 3.868 0.578) 3.952 3.966 ( -1.865 3.331 0.002) 3.818 3.995 ( -1.443 3.919 0.033) 4.176 4.013 ( -1.629 3.654 -0.078) 4.001 4.125 ( 3.085 9.847 0.119) 10.319 4.148 ( 3.589 9.401 1.553) 10.182 4.200 ( 3.636 11.139 -1.441) 11.805 4.274 ( 4.163 7.407 -0.789) 8.533 ======================= Grid point 17 (11/121) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.311 -6.462 1.948) 6.757 0.613 ( -2.823 -8.241 1.292) 8.807 0.692 ( -2.728 -8.047 -2.085) 8.749 0.720 ( -2.674 -8.779 1.472) 9.295 0.758 ( -0.093 -6.856 -2.503) 7.299 0.800 ( -2.767 -5.006 -0.486) 5.740 1.021 ( 0.376 -4.083 0.436) 4.123 1.070 ( -0.993 -4.385 1.365) 4.699 1.126 ( -1.101 -3.246 0.233) 3.435 1.177 ( -1.427 -4.504 -0.933) 4.816 1.271 ( 0.443 2.936 -0.180) 2.975 1.347 ( -0.999 -6.712 -1.988) 7.071 1.378 ( 0.223 -2.561 1.725) 3.096 1.398 ( -0.671 -2.162 -0.046) 2.264 1.431 ( -0.405 -2.747 -0.017) 2.777 1.452 ( 1.841 -1.464 -0.084) 2.354 1.560 ( -0.290 -10.105 0.458) 10.120 1.579 ( -0.772 -8.862 -0.368) 8.903 1.655 ( -0.693 -7.245 0.205) 7.280 1.721 ( -0.698 -5.586 -0.194) 5.633 1.959 ( -0.315 -0.048 0.051) 0.322 2.001 ( 0.145 0.198 -0.078) 0.258 2.068 ( 0.105 0.847 0.295) 0.903 2.109 ( 0.735 0.720 -0.147) 1.039 3.063 ( -1.587 14.305 -0.036) 14.393 3.103 ( -1.741 14.006 0.287) 14.117 3.152 ( 0.899 12.967 -0.072) 12.998 3.190 ( 0.537 12.885 -0.171) 12.897 3.341 ( -0.092 -0.271 0.106) 0.305 3.345 ( -0.182 -0.524 -0.198) 0.589 3.423 ( -0.348 0.460 0.656) 0.874 3.461 ( -0.652 1.395 -0.807) 1.739 3.573 ( 0.468 -4.207 0.466) 4.259 3.588 ( -0.533 -2.726 -0.362) 2.801 3.652 ( -1.593 -9.664 0.158) 9.796 3.680 ( -1.790 -1.680 -0.159) 2.460 3.719 ( -1.240 1.724 -0.730) 2.245 3.725 ( -1.812 -8.510 -1.239) 8.788 3.763 ( 0.131 0.457 0.134) 0.494 3.781 ( -0.916 0.439 -0.295) 1.057 3.853 ( 0.712 4.442 0.541) 4.531 3.899 ( 0.106 4.265 0.280) 4.275 3.909 ( 0.813 3.471 2.182) 4.179 3.938 ( 0.003 3.281 -0.222) 3.289 3.977 ( -0.275 4.079 0.533) 4.122 4.023 ( 0.927 5.325 0.825) 5.468 4.055 ( -1.419 0.665 0.387) 1.614 4.191 ( -4.280 -0.570 -2.246) 4.867 ======================= Grid point 18 (12/121) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -5.042 -6.288 0.658) 8.086 0.720 ( -5.646 -5.673 0.849) 8.049 0.792 ( -3.257 -4.626 -0.626) 5.692 0.841 ( -2.284 -4.036 -0.238) 4.643 0.892 ( -3.089 -7.401 -0.710) 8.052 0.911 ( -1.667 -7.427 0.245) 7.616 1.054 ( -0.854 0.297 0.150) 0.916 1.135 ( -2.411 0.259 0.103) 2.427 1.157 ( 1.722 -0.694 -0.086) 1.858 1.236 ( -0.316 -2.388 0.380) 2.438 1.275 ( -0.080 -4.569 0.121) 4.571 1.336 ( 1.627 0.883 -1.427) 2.338 1.391 ( -0.011 2.478 0.530) 2.534 1.409 ( 0.735 1.105 0.256) 1.351 1.501 ( -2.312 -3.918 0.201) 4.554 1.545 ( -1.870 -4.545 -0.341) 4.927 1.709 ( -2.062 -5.912 -0.139) 6.263 1.718 ( -2.063 -6.859 0.199) 7.165 1.766 ( -1.118 -4.368 0.272) 4.517 1.811 ( -0.945 -3.677 -0.285) 3.807 1.973 ( 0.149 -1.437 -0.032) 1.445 2.004 ( 0.429 -0.409 0.044) 0.594 2.072 ( 0.373 -1.032 0.268) 1.129 2.105 ( 0.528 0.043 -0.179) 0.560 2.723 ( -0.681 18.166 -0.038) 18.179 2.765 ( -0.675 18.181 0.153) 18.194 2.824 ( 0.141 19.301 -0.009) 19.302 2.860 ( -0.017 19.365 -0.072) 19.365 3.345 ( -0.222 -0.274 0.332) 0.484 3.350 ( -0.483 -0.255 -0.321) 0.634 3.401 ( 0.112 1.325 0.366) 1.379 3.423 ( -0.290 1.783 -0.596) 1.902 3.596 ( 0.390 3.786 -0.082) 3.807 3.599 ( -0.645 1.368 -0.153) 1.520 3.601 ( -0.440 1.618 0.162) 1.685 3.622 ( 0.164 4.264 -0.205) 4.272 3.668 ( 1.906 2.006 0.794) 2.878 3.708 ( 2.050 4.285 -0.683) 4.799 3.765 ( 1.249 3.055 0.042) 3.301 3.786 ( 1.323 3.826 0.046) 4.049 3.876 ( 1.528 -1.487 -0.070) 2.133 3.899 ( 0.072 -0.752 -0.105) 0.763 3.900 ( 1.682 -1.124 -0.131) 2.027 3.918 ( 0.018 -0.558 0.086) 0.565 3.973 ( -2.808 -4.457 -0.094) 5.269 4.007 ( -2.803 -4.278 0.492) 5.139 4.110 ( -4.691 -5.649 2.054) 7.625 4.206 ( -6.782 -3.360 -1.954) 7.817 ======================= Grid point 19 (13/121) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -5.366 -5.856 0.125) 7.944 0.791 ( -5.443 -5.167 0.579) 7.527 0.851 ( -1.271 -2.803 -0.343) 3.097 0.877 ( -1.392 -1.423 -0.516) 2.057 0.994 ( -1.095 -3.041 0.039) 3.233 1.017 ( -0.921 -2.844 0.571) 3.043 1.036 ( -1.846 -1.182 0.436) 2.235 1.105 ( -2.994 0.264 -0.425) 3.036 1.137 ( 1.941 1.060 0.015) 2.211 1.285 ( 1.451 0.361 -1.419) 2.061 1.302 ( 0.520 3.154 -0.366) 3.217 1.354 ( 1.065 -1.078 1.276) 1.981 1.379 ( 0.464 -2.668 -0.009) 2.708 1.439 ( 1.638 -4.371 0.324) 4.679 1.514 ( -2.886 0.916 0.075) 3.028 1.576 ( -2.222 -0.320 -0.282) 2.262 1.788 ( -1.159 -3.037 0.155) 3.254 1.816 ( -0.835 -3.272 -0.866) 3.486 1.831 ( -1.663 -3.784 1.121) 4.282 1.863 ( -1.043 -2.557 -0.318) 2.780 2.008 ( 0.127 -1.805 -0.214) 1.822 2.023 ( 0.212 -1.106 0.277) 1.160 2.105 ( 0.305 -1.554 0.290) 1.610 2.112 ( 0.017 -0.806 -0.377) 0.890 2.397 ( 0.048 12.988 -0.106) 12.988 2.437 ( 0.219 13.403 0.153) 13.405 2.459 ( -0.719 15.274 -0.066) 15.291 2.492 ( -0.591 15.658 -0.004) 15.669 3.348 ( -0.540 -0.173 -0.178) 0.594 3.353 ( -0.320 -0.472 0.285) 0.637 3.380 ( 0.207 0.873 0.210) 0.921 3.390 ( -0.011 1.340 -0.427) 1.407 3.539 ( 0.597 2.149 0.119) 2.233 3.540 ( 0.461 2.239 -0.064) 2.287 3.562 ( 0.080 2.005 -0.074) 2.008 3.565 ( 0.568 2.003 0.058) 2.083 3.676 ( 1.137 -0.419 0.259) 1.239 3.685 ( 0.976 0.115 -0.202) 1.003 3.721 ( 0.573 1.814 -0.019) 1.903 3.725 ( 0.669 2.537 0.010) 2.624 3.877 ( 1.398 1.089 -0.013) 1.772 3.902 ( 0.145 0.051 0.138) 0.207 3.913 ( 0.883 0.779 -0.312) 1.218 3.926 ( -0.333 -0.304 0.160) 0.479 4.052 ( -1.628 -3.829 -0.292) 4.171 4.071 ( -1.801 -2.707 0.417) 3.279 4.184 ( -2.783 -3.828 0.956) 4.828 4.216 ( -3.887 -1.584 -1.037) 4.323 ======================= Grid point 20 (14/121) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.927 -4.403 0.124) 4.501 0.859 ( -1.173 -3.333 0.275) 3.544 0.880 ( 0.048 -0.923 -0.631) 1.119 0.894 ( 0.448 -0.483 -0.346) 0.744 1.015 ( 0.302 -1.207 0.702) 1.428 1.032 ( 0.187 1.643 -0.002) 1.654 1.037 ( 0.043 -0.249 0.025) 0.254 1.107 ( -1.579 -1.519 -0.093) 2.193 1.183 ( 0.845 -2.474 0.405) 2.646 1.236 ( 1.049 1.388 -0.647) 1.856 1.305 ( 1.005 -1.330 -0.854) 1.873 1.333 ( 1.761 2.176 1.171) 3.034 1.429 ( -2.041 2.641 -0.056) 3.338 1.474 ( -2.222 1.949 -0.112) 2.958 1.506 ( 1.036 -3.659 0.071) 3.803 1.585 ( 0.806 -2.208 0.073) 2.351 1.818 ( 0.400 -0.610 -0.005) 0.730 1.848 ( -0.367 -0.766 -0.109) 0.857 1.879 ( 0.504 -0.884 0.060) 1.019 1.896 ( 0.002 -0.765 0.073) 0.768 2.032 ( 0.270 -0.136 -0.241) 0.387 2.038 ( 0.007 0.094 0.369) 0.381 2.119 ( 0.014 0.064 -0.022) 0.069 2.134 ( -0.187 -0.049 -0.242) 0.310 2.256 ( -0.015 0.022 -0.025) 0.037 2.292 ( -0.233 0.869 0.346) 0.964 2.294 ( -0.483 -0.934 -0.290) 1.091 2.324 ( -0.683 -0.415 -0.011) 0.800 3.352 ( -0.168 -0.525 -0.123) 0.565 3.365 ( -0.012 -0.430 0.213) 0.480 3.369 ( 0.070 0.150 -0.120) 0.205 3.370 ( 0.173 0.335 0.039) 0.379 3.516 ( 0.329 0.384 0.095) 0.515 3.520 ( 0.339 0.251 -0.101) 0.434 3.539 ( 0.062 0.268 -0.041) 0.278 3.548 ( 0.700 0.150 0.053) 0.718 3.683 ( 0.223 0.746 0.021) 0.779 3.688 ( 0.237 0.486 -0.003) 0.540 3.695 ( 0.137 -0.011 0.113) 0.178 3.701 ( -0.101 0.391 -0.125) 0.423 3.859 ( 0.183 0.919 0.016) 0.937 3.892 ( -0.253 1.184 -0.287) 1.244 3.901 ( -0.674 -0.193 0.360) 0.788 3.924 ( -1.059 0.081 -0.081) 1.065 4.096 ( -0.070 -1.227 -0.453) 1.310 4.100 ( 0.007 -0.856 0.338) 0.921 4.230 ( 0.076 -1.253 -0.631) 1.405 4.245 ( 0.475 -3.034 0.716) 3.153 ======================= Grid point 21 (15/121) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.429 4.579 -0.440) 4.621 0.890 ( 3.198 1.787 -0.223) 3.670 0.899 ( 1.022 0.850 -0.186) 1.342 0.925 ( 2.880 -1.449 0.172) 3.228 1.011 ( -1.493 -0.706 0.283) 1.675 1.025 ( 0.557 2.122 -0.377) 2.226 1.042 ( 1.256 1.045 0.795) 1.817 1.137 ( -0.528 -1.923 0.164) 2.001 1.168 ( 2.199 1.464 -0.442) 2.679 1.290 ( 1.137 0.292 -0.535) 1.290 1.311 ( 0.766 -2.237 2.149) 3.195 1.327 ( -0.167 1.443 -0.730) 1.626 1.370 ( -0.257 0.627 -0.851) 1.087 1.393 ( -2.030 2.646 0.279) 3.346 1.569 ( 1.425 -1.035 -0.074) 1.763 1.624 ( 1.333 -0.286 0.114) 1.368 1.817 ( 1.174 1.691 -0.091) 2.060 1.839 ( 0.282 1.751 0.170) 1.782 1.861 ( 1.162 3.594 -0.340) 3.793 1.887 ( 0.591 1.971 0.307) 2.080 2.011 ( 0.137 2.292 0.171) 2.303 2.017 ( -0.034 1.441 -0.114) 1.446 2.096 ( -0.189 1.843 -0.098) 1.855 2.110 ( -0.272 1.358 -0.167) 1.395 2.408 ( 0.908 -13.896 0.136) 13.926 2.439 ( 0.686 -14.461 -0.142) 14.478 2.459 ( -0.887 -14.869 0.025) 14.895 2.489 ( -0.955 -15.425 0.005) 15.455 3.355 ( 0.196 0.505 -0.211) 0.581 3.363 ( 0.340 -0.124 0.258) 0.445 3.373 ( -0.171 -0.819 -0.242) 0.870 3.394 ( 0.066 -1.625 0.317) 1.657 3.531 ( 0.150 -1.865 -0.203) 1.882 3.535 ( -0.054 -2.025 0.075) 2.027 3.555 ( -0.181 -2.059 -0.031) 2.067 3.569 ( 0.566 -2.024 0.102) 2.104 3.660 ( -0.245 1.144 0.072) 1.172 3.670 ( -0.251 1.109 0.001) 1.137 3.706 ( -0.456 -1.073 -0.040) 1.167 3.712 ( -0.437 -1.604 -0.033) 1.663 3.850 ( -0.595 0.061 -0.016) 0.598 3.873 ( -0.928 0.122 0.092) 0.940 3.898 ( -1.047 0.126 -0.077) 1.057 3.919 ( -0.571 -0.280 0.054) 0.638 4.096 ( 1.165 1.774 0.832) 2.280 4.106 ( 1.335 0.955 -1.048) 1.947 4.238 ( 1.785 1.445 -0.803) 2.433 4.314 ( 2.744 -2.346 0.904) 3.722 ======================= Grid point 22 (16/121) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.346 7.847 -0.660) 7.883 0.825 ( 2.269 5.882 0.341) 6.313 0.854 ( 0.223 4.481 -0.320) 4.498 0.923 ( 1.987 5.927 1.531) 6.436 0.942 ( 1.977 4.970 -1.774) 5.635 0.957 ( 1.095 7.373 1.075) 7.531 1.030 ( -0.277 -0.775 -0.065) 0.826 1.160 ( -0.174 -0.189 0.054) 0.262 1.161 ( 0.254 2.727 -0.470) 2.778 1.248 ( 0.722 0.916 -0.135) 1.174 1.275 ( -0.328 3.181 0.393) 3.222 1.343 ( 1.266 -0.727 0.180) 1.471 1.382 ( -0.369 -2.011 -0.043) 2.045 1.404 ( -0.150 -1.156 0.096) 1.170 1.549 ( 1.340 4.241 -0.105) 4.449 1.592 ( 1.513 4.972 -0.041) 5.197 1.741 ( 0.280 7.436 -0.043) 7.442 1.760 ( 0.920 6.638 0.112) 6.702 1.776 ( 0.048 4.674 -0.279) 4.682 1.825 ( 0.316 4.263 0.268) 4.283 1.971 ( -0.001 1.181 0.042) 1.182 1.997 ( -0.120 0.381 -0.049) 0.403 2.065 ( -0.153 0.743 0.056) 0.761 2.092 ( -0.351 0.207 -0.197) 0.452 2.757 ( 1.745 -18.767 0.136) 18.848 2.796 ( 1.634 -19.018 -0.236) 19.089 2.801 ( -1.473 -18.776 0.043) 18.834 2.843 ( -1.243 -19.186 0.057) 19.226 3.347 ( 0.078 0.402 -0.153) 0.437 3.361 ( 0.151 0.459 0.192) 0.520 3.397 ( -0.004 -1.523 -0.173) 1.533 3.432 ( 0.094 -2.044 0.286) 2.067 3.595 ( 0.252 -4.478 -0.060) 4.485 3.607 ( 0.163 -2.585 -0.119) 2.592 3.612 ( 0.100 -2.126 -0.005) 2.128 3.624 ( 0.086 -4.976 0.032) 4.976 3.639 ( -0.331 1.101 0.056) 1.151 3.674 ( -0.749 -4.735 0.169) 4.797 3.747 ( -0.333 -3.733 0.017) 3.747 3.763 ( -0.530 -4.210 -0.043) 4.244 3.839 ( -0.968 1.388 -0.019) 1.692 3.858 ( -1.197 1.541 0.086) 1.953 3.893 ( -0.192 -0.563 -0.070) 0.599 3.922 ( 0.084 0.047 0.113) 0.148 4.037 ( 1.520 4.882 1.262) 5.267 4.055 ( 1.289 4.931 -1.399) 5.285 4.180 ( 1.852 5.371 -1.147) 5.796 4.351 ( 3.165 1.206 0.980) 3.526 ======================= Grid point 23 (17/121) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.206 9.232 -0.672) 9.259 0.680 ( 1.632 11.067 0.335) 11.191 0.714 ( -0.695 9.040 -0.086) 9.067 0.758 ( 0.453 9.692 -0.043) 9.702 0.784 ( 0.482 8.716 0.430) 8.740 0.854 ( 0.699 5.984 0.351) 6.035 1.029 ( 1.099 1.572 0.192) 1.928 1.059 ( -0.851 5.092 -0.888) 5.238 1.139 ( 0.254 3.167 -0.064) 3.178 1.212 ( 0.475 2.935 0.429) 3.004 1.275 ( 0.189 -1.642 0.087) 1.656 1.368 ( 0.064 6.522 -0.293) 6.529 1.372 ( 0.051 -0.908 0.321) 0.964 1.414 ( 0.000 1.001 0.224) 1.026 1.430 ( 0.163 4.820 -0.127) 4.825 1.448 ( 0.632 8.168 -0.185) 8.195 1.544 ( -0.674 11.774 -0.042) 11.793 1.581 ( -0.193 11.797 0.014) 11.798 1.667 ( 0.214 6.493 -0.049) 6.497 1.735 ( 0.291 4.948 0.054) 4.957 1.964 ( 0.100 -0.165 -0.042) 0.198 1.999 ( -0.049 -0.487 0.035) 0.491 2.067 ( 0.019 -0.863 -0.013) 0.863 2.095 ( -0.224 -0.744 -0.026) 0.778 3.101 ( 0.918 -13.747 0.036) 13.777 3.127 ( -0.717 -13.692 0.007) 13.710 3.141 ( 0.883 -13.849 -0.075) 13.877 3.172 ( -0.542 -13.466 0.038) 13.477 3.340 ( -0.016 0.286 -0.056) 0.292 3.349 ( 0.015 0.827 0.061) 0.830 3.429 ( 0.216 -1.680 -0.091) 1.696 3.474 ( 0.120 -2.070 0.166) 2.080 3.557 ( -0.295 6.249 -0.168) 6.258 3.601 ( 0.142 1.922 0.222) 1.940 3.672 ( 0.251 7.313 -0.056) 7.317 3.713 ( 0.804 -0.399 0.140) 0.909 3.725 ( -0.541 -4.017 -0.153) 4.056 3.744 ( 0.084 -6.215 -0.014) 6.216 3.800 ( 1.018 -3.284 -1.303) 3.677 3.812 ( 0.262 9.855 5.584) 11.331 3.843 ( 0.729 -4.457 -1.542) 4.773 3.859 ( -1.323 -3.737 -2.795) 4.851 3.902 ( 0.253 -7.820 -0.078) 7.824 3.941 ( 0.028 -5.604 0.057) 5.604 3.979 ( 0.131 -1.706 -0.146) 1.717 3.998 ( -0.430 0.080 -0.278) 0.518 4.073 ( 0.289 4.003 -0.244) 4.021 4.298 ( 1.729 5.715 0.699) 6.012 ======================= Grid point 24 (18/121) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 9.923 -0.000) 9.923 0.424 ( 0.000 13.877 -0.000) 13.877 0.540 ( 0.000 7.123 -0.000) 7.123 0.557 ( 0.000 9.430 -0.000) 9.430 0.653 ( 0.000 5.141 -0.000) 5.141 0.746 ( 0.000 4.641 -0.000) 4.641 0.934 ( 0.000 12.279 -0.000) 12.279 0.959 ( 0.000 16.388 -0.000) 16.388 0.961 ( 0.000 3.472 -0.000) 3.472 1.173 ( 0.000 1.515 -0.000) 1.515 1.186 ( 0.000 5.756 -0.000) 5.756 1.258 ( 0.000 14.305 -0.000) 14.305 1.292 ( 0.000 12.923 -0.000) 12.923 1.300 ( 0.000 3.743 -0.000) 3.743 1.304 ( 0.000 2.375 -0.000) 2.375 1.366 ( 0.000 4.205 -0.000) 4.205 1.395 ( 0.000 4.296 -0.000) 4.296 1.407 ( -0.000 -0.172 0.000) 0.172 1.542 ( 0.000 4.655 -0.000) 4.655 1.650 ( 0.000 3.084 -0.000) 3.084 1.972 ( -0.000 -0.523 0.000) 0.523 2.014 ( -0.000 -1.096 0.000) 1.096 2.092 ( -0.000 -1.566 0.000) 1.566 2.117 ( -0.000 -1.450 0.000) 1.450 3.128 ( 0.000 21.480 -0.000) 21.480 3.200 ( 0.000 11.311 -0.000) 11.311 3.291 ( 0.000 6.441 -0.000) 6.441 3.327 ( -0.000 -5.003 0.000) 5.003 3.334 ( -0.000 -0.247 0.000) 0.247 3.342 ( -0.000 -1.970 0.000) 1.970 3.413 ( -0.000 -1.556 0.000) 1.556 3.461 ( -0.000 -1.376 0.000) 1.376 3.510 ( -0.000 -0.864 0.000) 0.864 3.514 ( 0.000 11.858 -0.000) 11.858 3.547 ( 0.000 6.138 -0.000) 6.138 3.590 ( 0.000 0.345 -0.000) 0.345 3.593 ( 0.000 0.762 -0.000) 0.762 3.823 ( -0.000 -3.049 0.000) 3.049 3.862 ( -0.000 -5.482 0.000) 5.482 3.896 ( -0.000 -1.485 0.000) 1.485 3.913 ( -0.000 -5.587 0.000) 5.587 4.020 ( -0.000 -6.531 0.000) 6.531 4.024 ( -0.000 -4.057 0.000) 4.057 4.041 ( -0.000 -4.638 0.000) 4.638 4.080 ( -0.000 -5.824 0.000) 5.824 4.084 ( -0.000 -6.055 0.000) 6.055 4.149 ( -0.000 -11.784 0.000) 11.784 4.197 ( 0.000 1.147 -0.000) 1.147 ======================= Grid point 27 (19/121) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 8.522 0.000 2.191) 8.799 0.330 ( 11.680 0.000 -0.547) 11.692 0.353 ( 12.249 0.000 0.456) 12.258 0.363 ( 11.462 0.000 4.589) 12.346 0.485 ( -0.193 -0.000 3.067) 3.073 0.507 ( 6.620 0.000 -3.002) 7.269 0.639 ( 2.232 0.000 -4.871) 5.357 0.731 ( 0.656 0.000 -1.272) 1.431 0.746 ( 0.599 0.000 0.535) 0.803 0.796 ( 0.451 0.000 -0.495) 0.670 0.918 ( -2.062 -0.000 2.926) 3.580 1.096 ( -4.681 -0.000 0.847) 4.757 1.114 ( -0.660 -0.000 0.018) 0.660 1.158 ( -2.660 -0.000 -1.362) 2.988 1.159 ( -1.010 -0.000 -0.009) 1.010 1.240 ( -1.697 -0.000 -0.781) 1.869 1.403 ( 2.376 0.000 -0.796) 2.506 1.447 ( 1.260 0.000 0.861) 1.526 1.522 ( 0.558 0.000 1.027) 1.169 1.648 ( 1.123 0.000 -0.523) 1.238 1.997 ( -0.708 -0.000 1.251) 1.438 2.056 ( -1.973 -0.000 -0.508) 2.038 2.159 ( -0.058 -0.000 0.027) 0.065 2.194 ( -1.022 -0.000 -0.167) 1.035 2.369 ( 2.023 0.000 0.174) 2.030 2.381 ( 2.713 0.000 -0.004) 2.713 2.407 ( 2.683 0.000 0.031) 2.683 2.421 ( 2.636 0.000 -0.198) 2.644 3.338 ( 0.512 0.000 0.159) 0.536 3.363 ( -0.032 -0.000 -0.340) 0.341 3.411 ( -0.822 -0.000 0.023) 0.823 3.422 ( -0.627 -0.000 -0.023) 0.627 3.503 ( 0.562 0.000 -0.009) 0.562 3.530 ( 0.676 0.000 0.071) 0.679 3.539 ( 0.301 0.000 0.007) 0.301 3.566 ( 0.083 0.000 0.038) 0.091 3.613 ( -0.670 -0.000 0.014) 0.670 3.630 ( -1.076 -0.000 -0.010) 1.076 3.949 ( -1.231 -0.000 -0.317) 1.271 3.979 ( -0.944 -0.000 0.758) 1.210 4.013 ( -1.004 -0.000 -0.411) 1.085 4.086 ( -1.897 -0.000 0.034) 1.897 4.101 ( -0.304 -0.000 -0.010) 0.304 4.136 ( -0.579 -0.000 0.077) 0.584 4.367 ( 5.753 0.000 0.091) 5.753 4.417 ( 2.516 0.000 1.715) 3.045 4.479 ( 2.900 0.000 -1.581) 3.303 4.502 ( 6.754 0.000 -1.011) 6.829 ======================= Grid point 28 (20/121) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 7.504 -0.851 0.188) 7.555 0.373 ( 7.413 -2.545 4.269) 8.925 0.473 ( 3.794 -2.541 1.195) 4.720 0.498 ( 1.499 -1.507 -0.541) 2.193 0.597 ( 2.610 -4.159 -4.069) 6.376 0.673 ( 5.281 -9.526 0.723) 10.916 0.696 ( 4.835 -12.139 -0.297) 13.070 0.726 ( 1.374 -2.487 -1.278) 3.116 0.906 ( -2.209 -3.019 1.523) 4.039 0.959 ( -0.117 -13.735 0.687) 13.753 0.973 ( 1.007 -14.351 0.035) 14.387 1.060 ( -3.558 -1.039 0.875) 3.808 1.116 ( -1.344 -0.628 -0.771) 1.672 1.213 ( -0.190 -2.805 -1.693) 3.281 1.229 ( -0.868 -8.806 0.028) 8.848 1.274 ( -0.618 -5.624 0.229) 5.662 1.397 ( 2.621 1.431 -0.923) 3.126 1.455 ( 1.364 0.096 0.399) 1.424 1.511 ( -0.401 0.890 1.665) 1.930 1.638 ( 0.512 1.129 -0.760) 1.454 1.981 ( -0.358 0.897 0.418) 1.053 2.027 ( -0.713 1.078 -0.447) 1.368 2.137 ( 0.019 2.118 1.378) 2.527 2.152 ( 0.662 1.136 -1.280) 1.835 2.658 ( 0.612 -22.589 0.088) 22.598 2.694 ( 0.399 -24.029 -1.005) 24.053 2.773 ( -3.667 -27.748 2.870) 28.136 2.879 ( -10.934 -30.460 -2.325) 32.447 3.341 ( 0.425 0.095 0.243) 0.498 3.360 ( 0.125 0.305 -0.320) 0.459 3.418 ( -0.834 -0.541 -0.038) 0.995 3.430 ( -0.593 -0.826 0.001) 1.017 3.481 ( -1.477 2.165 -0.065) 2.622 3.509 ( -1.087 2.790 -0.141) 2.998 3.531 ( 0.054 0.441 0.095) 0.454 3.555 ( 0.120 0.813 0.050) 0.824 3.606 ( -0.252 0.729 0.323) 0.837 3.627 ( -0.816 -0.371 -0.339) 0.958 3.913 ( -1.071 2.533 -0.333) 2.770 3.944 ( -0.857 2.980 0.773) 3.196 3.984 ( -1.161 1.964 -0.495) 2.335 4.046 ( -2.004 2.752 0.711) 3.478 4.057 ( 0.023 3.991 -0.628) 4.041 4.091 ( -0.521 3.954 0.095) 3.989 4.328 ( 4.175 7.151 0.031) 8.281 4.355 ( 3.882 7.549 1.824) 8.683 4.417 ( 4.055 7.612 -1.776) 8.806 4.468 ( 6.519 6.994 -0.303) 9.566 ======================= Grid point 29 (21/121) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 1.400 -6.340 0.909) 6.556 0.505 ( 4.154 -5.702 3.954) 8.087 0.539 ( 0.841 -3.323 -1.824) 3.883 0.570 ( -0.648 -5.364 1.234) 5.542 0.652 ( 1.505 -3.474 -3.780) 5.350 0.719 ( -0.858 -1.574 -0.721) 1.932 0.908 ( -0.812 -6.875 0.638) 6.952 0.962 ( -0.381 -8.225 0.298) 8.239 1.000 ( 0.224 -8.484 1.166) 8.567 1.080 ( -2.948 -3.926 0.168) 4.913 1.167 ( 0.637 -7.167 -0.535) 7.215 1.248 ( 0.389 -6.765 -0.241) 6.781 1.264 ( -0.683 -10.340 -0.474) 10.373 1.305 ( 0.060 -10.720 -0.838) 10.753 1.375 ( 2.084 -1.873 -0.343) 2.823 1.405 ( 1.274 -5.302 0.075) 5.454 1.423 ( 1.163 -6.280 0.111) 6.387 1.465 ( 1.713 -0.435 0.889) 1.979 1.515 ( -1.742 -3.499 0.671) 3.965 1.629 ( -0.707 -1.457 -0.702) 1.766 1.963 ( -0.443 0.659 0.096) 0.800 2.008 ( -0.214 0.546 -0.166) 0.610 2.099 ( 0.086 1.954 0.826) 2.123 2.132 ( 0.774 1.110 -0.645) 1.499 3.127 ( -1.471 -18.962 0.461) 19.025 3.158 ( -0.712 -16.937 -0.553) 16.961 3.226 ( -2.992 -15.558 0.133) 15.843 3.238 ( -3.616 -7.981 -0.377) 8.770 3.331 ( -0.306 2.123 0.011) 2.145 3.341 ( -0.049 0.768 0.024) 0.770 3.386 ( 0.007 1.565 0.651) 1.695 3.410 ( -1.259 2.247 0.283) 2.591 3.426 ( -3.278 -0.834 0.346) 3.400 3.487 ( -3.584 -4.721 -2.242) 6.337 3.525 ( -1.173 -1.012 0.902) 1.793 3.553 ( -0.642 -1.728 0.013) 1.844 3.600 ( -0.899 -1.735 0.914) 2.158 3.630 ( -2.612 -1.843 -0.669) 3.266 3.843 ( -0.510 3.928 -0.267) 3.969 3.859 ( -0.345 5.278 0.452) 5.309 3.931 ( -1.186 2.285 -0.260) 2.587 3.953 ( -0.435 4.934 0.397) 4.969 3.981 ( -0.833 3.020 -0.148) 3.136 4.000 ( -0.638 4.133 0.045) 4.182 4.157 ( 2.264 11.077 -0.087) 11.306 4.197 ( 3.011 10.511 2.052) 11.124 4.241 ( 3.925 11.723 -1.472) 12.450 4.319 ( 3.700 10.486 -0.642) 11.138 ======================= Grid point 30 (22/121) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -3.682 -5.190 0.692) 6.401 0.594 ( -2.995 -3.688 0.985) 4.852 0.660 ( -0.627 -6.428 -0.530) 6.480 0.693 ( -2.163 -8.259 1.785) 8.722 0.746 ( -0.474 -5.640 -2.862) 6.342 0.768 ( -2.055 -4.938 0.125) 5.350 1.024 ( -0.497 -3.884 0.265) 3.924 1.061 ( -0.942 -5.208 1.052) 5.396 1.107 ( -2.052 -2.345 0.284) 3.129 1.159 ( -0.890 -5.472 -0.527) 5.569 1.283 ( 1.602 2.499 -0.213) 2.976 1.326 ( -0.973 -6.154 -1.945) 6.527 1.383 ( -0.401 -6.257 0.354) 6.280 1.399 ( 0.643 -0.550 0.431) 0.949 1.431 ( 0.379 0.278 0.694) 0.838 1.475 ( 1.802 -0.698 -0.232) 1.946 1.553 ( -1.092 -8.854 0.727) 8.951 1.564 ( -1.044 -6.897 -0.720) 7.013 1.646 ( -1.013 -7.451 0.280) 7.525 1.708 ( -1.259 -5.994 -0.325) 6.133 1.956 ( -0.251 -0.284 -0.005) 0.379 2.002 ( 0.120 -0.047 -0.056) 0.141 2.072 ( 0.322 0.776 0.609) 1.038 2.117 ( 0.666 0.759 -0.430) 1.098 3.048 ( -0.819 14.020 -0.029) 14.044 3.087 ( -0.931 13.657 0.364) 13.694 3.158 ( 0.024 13.101 -0.063) 13.101 3.190 ( -0.412 12.835 -0.239) 12.844 3.339 ( -0.223 -0.521 -0.011) 0.566 3.343 ( -0.040 -0.157 0.026) 0.164 3.423 ( -0.139 0.124 0.811) 0.832 3.448 ( -0.879 0.547 -0.954) 1.408 3.577 ( -0.185 -2.660 -0.083) 2.667 3.582 ( -0.394 -3.527 0.290) 3.561 3.629 ( -2.032 -12.684 0.134) 12.847 3.657 ( -1.671 -4.089 -0.322) 4.429 3.694 ( -1.862 -6.836 -0.687) 7.118 3.702 ( -1.320 -5.274 -1.072) 5.542 3.768 ( -0.048 -0.134 1.259) 1.267 3.770 ( -0.561 1.768 -0.173) 1.863 3.865 ( 0.964 3.622 0.425) 3.772 3.900 ( -0.271 1.452 0.134) 1.483 3.924 ( 0.740 3.041 0.736) 3.215 3.939 ( 0.304 1.736 -0.041) 1.763 3.975 ( -0.239 5.760 0.363) 5.776 4.036 ( 0.657 8.327 -1.442) 8.477 4.038 ( -1.367 4.556 2.340) 5.301 4.141 ( -2.497 5.731 -1.730) 6.487 ======================= Grid point 31 (23/121) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -6.217 -5.415 0.141) 8.246 0.645 ( -6.662 -4.904 0.583) 8.293 0.759 ( -2.486 -4.982 -0.353) 5.579 0.813 ( -2.175 -3.649 -0.441) 4.271 0.860 ( -1.752 -8.114 0.892) 8.349 0.891 ( -1.347 -7.107 -0.234) 7.237 1.028 ( -2.888 0.574 0.393) 2.971 1.099 ( -2.964 0.706 -0.308) 3.063 1.198 ( 3.865 -3.875 -0.208) 5.477 1.236 ( 0.379 -0.258 -0.023) 0.459 1.276 ( 0.029 -4.733 0.749) 4.792 1.348 ( 1.219 0.948 -2.234) 2.715 1.392 ( -0.043 1.926 0.273) 1.945 1.427 ( 1.760 0.770 1.160) 2.244 1.475 ( -2.121 -3.211 0.369) 3.866 1.522 ( -1.526 -3.417 -0.584) 3.787 1.683 ( -1.894 -6.052 -0.253) 6.346 1.697 ( -1.499 -6.832 0.364) 7.004 1.749 ( -1.691 -4.162 0.216) 4.497 1.794 ( -1.651 -3.549 -0.247) 3.922 1.975 ( 0.131 -1.543 -0.000) 1.548 2.010 ( 0.374 -0.514 -0.001) 0.636 2.079 ( 0.451 -0.942 0.548) 1.180 2.109 ( 0.385 0.194 -0.513) 0.670 2.720 ( 0.303 17.906 0.033) 17.909 2.763 ( 0.302 17.858 0.078) 17.861 2.820 ( -0.774 19.513 0.002) 19.529 2.854 ( -0.912 19.378 -0.077) 19.400 3.342 ( -0.430 -0.122 -0.174) 0.480 3.345 ( -0.206 -0.159 0.258) 0.367 3.403 ( 0.079 1.286 0.310) 1.325 3.417 ( -0.286 1.561 -0.524) 1.671 3.590 ( -0.539 1.018 -0.195) 1.168 3.596 ( -0.425 1.090 0.140) 1.179 3.603 ( 0.646 3.763 -0.039) 3.818 3.625 ( 0.399 3.875 -0.154) 3.898 3.700 ( 2.575 2.643 0.968) 3.815 3.730 ( 1.876 3.445 -0.832) 4.010 3.785 ( 1.975 3.689 0.067) 4.184 3.806 ( 1.981 4.043 -0.079) 4.503 3.885 ( -0.326 -3.050 -0.176) 3.072 3.896 ( -0.611 -3.277 -0.075) 3.335 3.910 ( 0.414 0.646 0.004) 0.767 3.929 ( 1.400 -0.470 0.189) 1.489 3.943 ( -1.982 -3.141 0.372) 3.733 3.976 ( -2.245 -3.603 -0.137) 4.247 4.057 ( -4.983 -6.117 1.685) 8.067 4.116 ( -6.555 -4.573 -1.631) 8.157 ======================= Grid point 32 (24/121) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -4.536 -7.503 0.018) 8.767 0.729 ( -4.605 -7.121 0.499) 8.495 0.829 ( -1.847 -3.569 -0.507) 4.050 0.860 ( -1.073 -2.564 -0.453) 2.816 0.985 ( -0.630 -3.712 0.350) 3.781 1.007 ( -1.166 -1.925 0.083) 2.252 1.011 ( -1.715 -4.763 1.187) 5.199 1.069 ( -2.367 0.156 -0.529) 2.430 1.172 ( 3.106 2.669 -0.153) 4.098 1.293 ( 0.622 2.276 -1.728) 2.924 1.313 ( 1.375 0.660 0.195) 1.537 1.371 ( 0.879 -1.742 1.209) 2.295 1.386 ( 0.752 -3.529 -0.119) 3.611 1.460 ( 1.545 -2.577 -0.004) 3.004 1.479 ( -2.880 1.085 0.274) 3.090 1.549 ( -2.073 -1.052 -0.145) 2.330 1.776 ( -0.842 -4.092 0.111) 4.179 1.804 ( -0.647 -3.168 -0.799) 3.330 1.817 ( -1.289 -4.817 0.978) 5.081 1.850 ( -0.915 -3.217 -0.207) 3.351 2.010 ( 0.204 -1.782 -0.145) 1.799 2.026 ( 0.093 -0.921 0.248) 0.958 2.109 ( 0.100 -1.627 0.173) 1.639 2.111 ( 0.056 -0.281 -0.399) 0.491 2.399 ( 0.216 13.198 -0.030) 13.200 2.441 ( 0.264 13.655 0.180) 13.659 2.449 ( -0.715 15.151 -0.133) 15.169 2.483 ( -0.773 15.615 -0.014) 15.634 3.341 ( -0.450 -0.251 -0.186) 0.548 3.350 ( -0.230 -0.512 0.290) 0.632 3.383 ( 0.128 0.849 0.138) 0.869 3.388 ( 0.016 1.146 -0.303) 1.185 3.546 ( 0.393 2.141 0.174) 2.184 3.547 ( 0.733 2.148 -0.148) 2.275 3.563 ( 0.099 1.814 -0.040) 1.817 3.573 ( 0.683 1.822 0.029) 1.946 3.693 ( 1.290 0.232 0.349) 1.356 3.698 ( 1.238 0.911 -0.159) 1.545 3.727 ( 0.364 2.399 -0.047) 2.427 3.733 ( 0.568 3.054 -0.097) 3.108 3.891 ( 0.216 1.269 0.057) 1.289 3.896 ( -0.069 0.363 -0.071) 0.377 3.914 ( -0.806 0.197 -0.120) 0.838 3.930 ( 0.921 1.198 0.119) 1.516 4.035 ( -1.014 -4.577 0.030) 4.688 4.050 ( -1.620 -3.672 -0.054) 4.014 4.157 ( -1.905 -5.532 0.648) 5.887 4.170 ( -2.957 -3.906 -0.619) 4.938 ======================= Grid point 33 (25/121) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -1.247 -6.937 -0.205) 7.051 0.855 ( -0.366 -6.212 0.688) 6.261 0.877 ( -0.077 -1.683 -0.652) 1.807 0.896 ( 0.088 -1.083 -0.428) 1.167 1.022 ( 0.359 -2.028 0.693) 2.173 1.033 ( 0.011 1.959 -0.018) 1.959 1.040 ( 0.307 -0.204 0.106) 0.384 1.086 ( -1.597 -2.773 -0.122) 3.202 1.202 ( 1.840 -2.886 0.619) 3.478 1.242 ( 0.236 1.269 -0.822) 1.530 1.322 ( 1.926 -0.741 -0.546) 2.135 1.355 ( 0.925 2.311 0.873) 2.638 1.405 ( -1.491 2.740 -0.333) 3.137 1.443 ( -2.505 3.007 0.184) 3.918 1.516 ( 0.597 -4.663 0.008) 4.702 1.594 ( 0.573 -3.025 0.057) 3.080 1.824 ( 0.601 -1.083 0.042) 1.239 1.842 ( -0.554 -1.336 -0.141) 1.453 1.886 ( 0.589 -1.690 0.037) 1.790 1.896 ( -0.072 -1.254 0.075) 1.258 2.035 ( 0.298 -0.156 -0.240) 0.413 2.040 ( 0.004 0.030 0.388) 0.389 2.119 ( -0.051 -0.150 -0.049) 0.166 2.130 ( -0.161 0.144 -0.240) 0.323 2.257 ( 0.236 -0.167 -0.016) 0.289 2.282 ( -1.049 -0.641 0.015) 1.229 2.295 ( 0.342 0.598 0.056) 0.691 2.313 ( -0.951 -0.320 -0.025) 1.003 3.349 ( -0.132 -0.800 -0.099) 0.817 3.366 ( -0.014 -0.931 0.254) 0.965 3.369 ( 0.082 0.493 -0.194) 0.536 3.373 ( 0.128 0.384 0.050) 0.407 3.521 ( 0.309 0.582 0.178) 0.683 3.525 ( 0.383 0.527 -0.181) 0.676 3.540 ( 0.129 0.425 -0.027) 0.445 3.557 ( 0.638 0.210 0.034) 0.672 3.686 ( 0.258 1.356 0.074) 1.382 3.691 ( 0.264 1.038 -0.032) 1.072 3.697 ( 0.168 0.096 0.094) 0.216 3.699 ( -0.159 0.470 -0.137) 0.515 3.864 ( 0.513 1.313 0.022) 1.410 3.886 ( -0.701 0.650 -0.103) 0.962 3.893 ( -0.480 1.140 0.065) 1.239 3.909 ( -1.195 0.090 0.036) 1.199 4.094 ( -0.048 -1.787 -0.209) 1.800 4.101 ( 0.029 -1.941 0.099) 1.944 4.229 ( 0.038 -2.596 -0.393) 2.626 4.254 ( 0.460 -4.597 0.468) 4.644 ======================= Grid point 34 (26/121) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.109 4.496 -0.158) 4.500 0.903 ( 0.222 0.981 -0.084) 1.009 0.915 ( 0.847 1.227 -0.152) 1.499 0.951 ( 1.142 -3.346 0.007) 3.535 1.003 ( -0.099 -0.542 0.262) 0.610 1.028 ( 0.138 1.974 -0.235) 1.993 1.056 ( 0.493 0.816 0.405) 1.036 1.130 ( -0.376 -2.252 -0.024) 2.283 1.185 ( 0.665 1.695 -0.089) 1.823 1.302 ( 0.925 1.777 -0.516) 2.069 1.320 ( -0.371 -3.290 1.229) 3.532 1.334 ( 1.125 2.997 -0.202) 3.208 1.362 ( -0.263 1.595 -0.792) 1.800 1.372 ( -1.344 -1.038 0.393) 1.743 1.580 ( 0.475 -1.192 -0.029) 1.283 1.636 ( 0.483 -0.550 0.032) 0.732 1.829 ( 0.789 1.451 0.027) 1.652 1.839 ( -0.267 1.545 -0.064) 1.570 1.870 ( 0.378 3.660 -0.058) 3.680 1.893 ( 0.261 1.911 0.127) 1.933 2.013 ( 0.060 2.484 0.091) 2.486 2.017 ( 0.048 1.512 -0.064) 1.514 2.095 ( -0.030 2.097 0.039) 2.097 2.106 ( -0.174 1.332 -0.166) 1.354 2.423 ( 1.416 -14.601 0.028) 14.670 2.441 ( -1.283 -14.835 0.054) 14.890 2.454 ( 1.016 -14.760 -0.049) 14.795 2.474 ( -1.384 -15.378 -0.024) 15.441 3.357 ( 0.072 0.555 -0.071) 0.564 3.367 ( 0.180 -0.240 0.223) 0.374 3.370 ( -0.119 -0.752 -0.218) 0.792 3.396 ( 0.028 -1.671 0.114) 1.675 3.533 ( 0.159 -1.649 -0.042) 1.657 3.535 ( -0.024 -2.005 -0.016) 2.006 3.553 ( -0.045 -1.980 -0.006) 1.980 3.576 ( 0.308 -1.925 0.042) 1.950 3.659 ( -0.089 1.310 0.005) 1.313 3.669 ( -0.021 1.280 0.031) 1.280 3.702 ( -0.165 -0.941 -0.011) 0.956 3.708 ( -0.199 -1.292 -0.027) 1.307 3.845 ( -0.195 0.689 -0.035) 0.717 3.868 ( -0.072 0.311 0.187) 0.371 3.885 ( -0.717 -0.219 -0.179) 0.771 3.914 ( -0.279 -0.719 0.055) 0.773 4.108 ( 0.374 0.702 0.677) 1.045 4.114 ( 0.537 1.079 -0.764) 1.427 4.250 ( 0.621 0.966 -0.300) 1.187 4.340 ( 0.994 -3.237 0.336) 3.403 ======================= Grid point 35 (27/121) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 7.939 -0.000) 7.939 0.843 ( 0.000 5.224 -0.000) 5.224 0.849 ( 0.000 5.037 -0.000) 5.037 0.935 ( 0.000 7.544 -0.000) 7.544 0.954 ( 0.000 3.179 -0.000) 3.179 0.966 ( 0.000 7.795 -0.000) 7.795 1.031 ( -0.000 -1.071 0.000) 1.071 1.159 ( -0.000 -0.476 0.000) 0.476 1.160 ( 0.000 3.462 -0.000) 3.462 1.253 ( 0.000 0.504 -0.000) 0.504 1.273 ( 0.000 2.889 -0.000) 2.889 1.353 ( -0.000 -0.619 0.000) 0.619 1.379 ( -0.000 -1.571 0.000) 1.571 1.403 ( -0.000 -1.310 0.000) 1.310 1.557 ( 0.000 4.127 -0.000) 4.127 1.602 ( 0.000 4.818 -0.000) 4.818 1.741 ( 0.000 8.119 -0.000) 8.119 1.766 ( 0.000 6.840 -0.000) 6.840 1.775 ( 0.000 4.435 -0.000) 4.435 1.828 ( 0.000 4.275 -0.000) 4.275 1.971 ( 0.000 1.156 -0.000) 1.156 1.996 ( 0.000 0.403 -0.000) 0.403 2.064 ( 0.000 0.671 -0.000) 0.671 2.089 ( 0.000 0.227 -0.000) 0.227 2.775 ( -0.000 -18.495 0.000) 18.495 2.786 ( -0.000 -19.096 0.000) 19.096 2.810 ( -0.000 -18.914 0.000) 18.914 2.831 ( -0.000 -19.412 0.000) 19.412 3.347 ( 0.000 0.422 -0.000) 0.422 3.362 ( 0.000 0.492 -0.000) 0.492 3.396 ( -0.000 -1.571 0.000) 1.571 3.433 ( -0.000 -2.072 0.000) 2.072 3.597 ( -0.000 -4.481 0.000) 4.481 3.608 ( -0.000 -5.151 0.000) 5.151 3.612 ( 0.000 0.362 -0.000) 0.362 3.625 ( -0.000 -5.256 0.000) 5.256 3.638 ( 0.000 1.628 -0.000) 1.628 3.670 ( -0.000 -4.763 0.000) 4.763 3.745 ( -0.000 -3.884 0.000) 3.884 3.760 ( -0.000 -4.388 0.000) 4.388 3.833 ( 0.000 1.597 -0.000) 1.597 3.851 ( 0.000 1.636 -0.000) 1.636 3.892 ( -0.000 -0.772 0.000) 0.772 3.923 ( -0.000 -0.132 0.000) 0.132 4.051 ( 0.000 4.470 -0.000) 4.470 4.059 ( 0.000 5.354 -0.000) 5.354 4.189 ( 0.000 5.358 -0.000) 5.358 4.373 ( 0.000 0.840 -0.000) 0.840 ======================= Grid point 40 (28/121) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 6.347 0.000 0.382) 6.358 0.457 ( 9.020 0.000 0.003) 9.020 0.482 ( 4.245 0.000 1.420) 4.476 0.483 ( 8.661 0.000 -0.099) 8.662 0.489 ( 0.469 0.000 0.244) 0.528 0.578 ( 6.216 0.000 0.999) 6.296 0.667 ( 4.805 0.000 -2.098) 5.243 0.739 ( 1.297 0.000 -1.167) 1.745 0.763 ( 1.809 0.000 0.947) 2.042 0.803 ( 1.300 0.000 -0.862) 1.560 0.889 ( -3.958 -0.000 1.751) 4.328 1.050 ( -3.912 -0.000 1.091) 4.061 1.104 ( -1.059 -0.000 0.017) 1.059 1.125 ( -0.928 -0.000 -0.962) 1.337 1.144 ( -1.482 -0.000 -0.000) 1.482 1.229 ( 0.500 0.000 -1.071) 1.182 1.424 ( 1.749 0.000 -1.278) 2.166 1.467 ( 1.302 0.000 0.457) 1.380 1.528 ( -0.437 -0.000 2.095) 2.140 1.653 ( 0.131 0.000 -1.038) 1.046 1.993 ( -0.598 -0.000 0.876) 1.060 2.034 ( -1.186 -0.000 -0.666) 1.361 2.160 ( 0.222 0.000 0.149) 0.267 2.183 ( -0.727 -0.000 -0.213) 0.758 2.394 ( 2.083 0.000 0.066) 2.084 2.420 ( 3.380 0.000 -0.074) 3.381 2.442 ( 2.807 0.000 0.083) 2.808 2.462 ( 3.838 0.000 -0.073) 3.838 3.346 ( 0.568 0.000 0.240) 0.617 3.363 ( 0.213 0.000 -0.346) 0.407 3.402 ( -0.617 -0.000 -0.037) 0.619 3.415 ( -0.500 -0.000 0.071) 0.505 3.502 ( -0.799 -0.000 -0.146) 0.813 3.536 ( 0.248 0.000 -0.010) 0.249 3.537 ( -0.832 -0.000 0.123) 0.841 3.566 ( -0.082 -0.000 0.011) 0.083 3.608 ( 0.085 0.000 0.001) 0.085 3.620 ( -0.444 -0.000 -0.014) 0.444 3.930 ( -1.467 -0.000 -0.355) 1.509 3.969 ( -1.229 -0.000 1.111) 1.657 3.997 ( -1.075 -0.000 -0.749) 1.310 4.062 ( -1.898 -0.000 0.041) 1.899 4.101 ( 0.325 0.000 -0.015) 0.326 4.133 ( -0.018 -0.000 0.037) 0.041 4.426 ( 3.164 0.000 -0.054) 3.165 4.461 ( 3.533 0.000 2.305) 4.219 4.517 ( 4.514 0.000 -2.068) 4.965 4.582 ( 6.383 0.000 -0.345) 6.392 ======================= Grid point 41 (29/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 5.084 -0.264 -0.629) 5.130 0.458 ( 3.658 -0.294 1.209) 3.864 0.501 ( 0.784 -1.777 0.416) 1.986 0.549 ( 6.259 -0.313 1.394) 6.420 0.622 ( 3.925 -2.821 -2.068) 5.257 0.714 ( 1.107 -1.087 -0.842) 1.765 0.734 ( 2.942 -8.068 0.246) 8.591 0.759 ( 2.743 -9.088 0.054) 9.493 0.879 ( -2.718 -3.059 1.048) 4.224 0.968 ( 1.170 -13.816 0.945) 13.898 0.983 ( 0.327 -12.294 -0.334) 12.303 1.023 ( -2.446 -3.363 0.674) 4.213 1.114 ( 1.036 -1.567 -0.428) 1.926 1.206 ( -0.046 -3.775 -1.491) 4.060 1.220 ( -0.611 -9.020 -0.002) 9.041 1.270 ( 0.011 -5.640 0.160) 5.642 1.421 ( 1.919 1.013 -1.242) 2.501 1.468 ( 0.606 0.291 -0.542) 0.863 1.514 ( -0.443 1.229 3.148) 3.408 1.636 ( -0.219 1.205 -1.334) 1.811 1.978 ( -0.371 0.972 0.418) 1.121 2.018 ( -0.493 0.659 -0.490) 0.958 2.143 ( -0.092 2.094 1.375) 2.507 2.155 ( 0.694 0.855 -1.224) 1.647 2.664 ( 0.269 -21.756 0.200) 21.759 2.699 ( 0.790 -21.989 -0.639) 22.012 2.746 ( -1.989 -24.265 1.347) 24.384 2.786 ( -3.685 -25.411 -0.959) 25.694 3.347 ( 0.396 0.244 0.275) 0.540 3.361 ( 0.204 0.355 -0.227) 0.468 3.409 ( -0.523 -0.514 -0.007) 0.733 3.424 ( -0.445 -0.751 0.078) 0.877 3.462 ( -1.628 3.131 -0.369) 3.548 3.493 ( -1.526 3.619 0.070) 3.928 3.532 ( -0.015 0.536 -0.062) 0.540 3.555 ( -0.099 0.842 0.108) 0.855 3.605 ( -0.022 0.829 0.350) 0.900 3.618 ( -0.503 0.081 -0.351) 0.619 3.898 ( -1.115 2.177 -0.342) 2.470 3.936 ( -0.970 2.728 1.108) 3.100 3.968 ( -1.048 1.987 -0.838) 2.398 4.026 ( -1.496 2.322 0.276) 2.776 4.058 ( 0.382 4.347 -0.152) 4.366 4.088 ( 0.021 4.191 0.042) 4.191 4.364 ( 2.237 7.454 -0.342) 7.790 4.409 ( 3.163 7.435 2.211) 8.377 4.465 ( 4.731 7.609 -1.694) 9.119 4.539 ( 5.250 7.679 -0.197) 9.304 ======================= Grid point 42 (30/121) ======================= q-point: ( 0.42 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 2.139 -2.813 0.461) 3.564 0.524 ( 0.343 -3.545 -2.401) 4.295 0.564 ( -0.675 -4.083 1.289) 4.334 0.590 ( 4.342 -1.081 3.690) 5.799 0.660 ( 1.746 -2.127 -2.601) 3.786 0.705 ( -1.069 -0.418 -0.419) 1.222 0.902 ( -0.364 -6.757 0.075) 6.768 0.958 ( -0.549 -7.129 0.461) 7.165 0.999 ( -1.073 -7.781 1.009) 7.919 1.049 ( -2.169 -4.676 0.370) 5.168 1.175 ( 1.058 -6.172 -0.769) 6.309 1.250 ( 0.141 -6.643 -0.272) 6.650 1.260 ( 0.438 -8.520 -0.749) 8.565 1.304 ( 0.231 -11.002 -0.328) 11.009 1.395 ( 1.499 -3.939 -0.252) 4.222 1.418 ( 0.765 -5.437 -0.006) 5.491 1.436 ( 0.914 -5.299 -0.180) 5.381 1.483 ( 0.333 -3.150 -0.725) 3.250 1.499 ( -0.974 -1.118 2.852) 3.214 1.616 ( -0.651 -0.609 -1.254) 1.539 1.958 ( -0.394 0.715 0.026) 0.817 2.005 ( -0.194 0.336 -0.121) 0.406 2.104 ( 0.109 1.918 0.844) 2.099 2.138 ( 0.654 1.043 -0.633) 1.384 3.107 ( -2.003 -17.493 0.336) 17.611 3.145 ( -1.058 -17.270 -0.357) 17.306 3.187 ( -3.013 -16.604 -0.114) 16.876 3.207 ( -1.441 -15.980 0.059) 16.045 3.330 ( -0.050 2.727 0.877) 2.865 3.340 ( -0.208 1.135 -0.014) 1.154 3.380 ( -1.540 1.533 -0.741) 2.296 3.394 ( -0.896 1.522 1.116) 2.089 3.402 ( -0.966 1.435 -0.425) 1.781 3.437 ( -2.835 -3.465 -1.245) 4.647 3.520 ( -0.390 0.023 0.377) 0.543 3.545 ( -0.638 -0.791 0.081) 1.020 3.591 ( -0.888 -0.515 0.309) 1.072 3.607 ( -1.116 -0.411 -0.400) 1.255 3.835 ( -0.557 3.597 -0.269) 3.650 3.857 ( -0.302 5.048 0.610) 5.094 3.917 ( -0.819 2.011 -0.484) 2.225 3.953 ( 0.017 5.059 0.608) 5.095 3.973 ( -0.358 2.465 -0.376) 2.519 3.996 ( -0.039 4.214 0.079) 4.215 4.180 ( 1.552 11.610 -0.228) 11.715 4.234 ( 1.908 11.571 1.449) 11.816 4.282 ( 3.292 12.538 -0.814) 12.988 4.357 ( 2.798 12.539 -0.416) 12.855 ======================= Grid point 43 (31/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -2.782 -2.267 0.611) 3.640 0.547 ( -3.729 -1.504 -0.931) 4.127 0.641 ( -2.228 -4.703 -0.061) 5.204 0.705 ( 1.899 -6.808 2.689) 7.562 0.723 ( -1.659 -3.672 -0.973) 4.145 0.754 ( -0.255 -5.636 -0.844) 5.705 1.009 ( -1.880 -1.603 0.259) 2.484 1.061 ( 0.359 -7.240 0.061) 7.250 1.081 ( -2.285 -1.487 0.719) 2.819 1.151 ( -0.338 -6.274 -0.157) 6.285 1.301 ( 0.417 -2.646 -0.378) 2.706 1.314 ( 1.090 -1.771 -1.252) 2.427 1.373 ( -0.956 -5.573 -0.840) 5.716 1.410 ( 0.883 -0.374 0.160) 0.972 1.445 ( 0.970 1.006 1.440) 2.006 1.486 ( -0.114 -2.125 -0.263) 2.144 1.543 ( -0.982 -8.007 0.808) 8.107 1.560 ( 1.298 -4.135 -0.681) 4.387 1.632 ( -1.401 -7.175 0.172) 7.313 1.686 ( -2.119 -6.181 -0.337) 6.543 1.953 ( -0.137 -0.529 -0.028) 0.547 2.003 ( 0.054 -0.253 -0.040) 0.262 2.080 ( 0.419 0.639 0.761) 1.078 2.121 ( 0.462 0.830 -0.585) 1.116 3.044 ( 0.193 13.354 -0.030) 13.356 3.084 ( 0.178 13.177 0.376) 13.184 3.151 ( -1.028 13.340 -0.255) 13.382 3.179 ( -1.312 13.022 -0.056) 13.088 3.337 ( -0.073 -0.342 0.085) 0.360 3.343 ( -0.001 -0.140 0.061) 0.152 3.425 ( 0.006 0.156 0.667) 0.685 3.434 ( -0.748 -0.525 -0.743) 1.178 3.568 ( -1.069 -5.773 -0.249) 5.876 3.577 ( -0.415 -2.447 0.025) 2.482 3.612 ( -0.831 -12.016 0.539) 12.057 3.639 ( -1.024 -5.814 -0.502) 5.925 3.672 ( -1.331 -11.401 -0.448) 11.488 3.684 ( -1.112 -5.257 -0.497) 5.396 3.762 ( -0.588 1.160 0.144) 1.308 3.773 ( -0.012 -0.785 0.885) 1.183 3.877 ( 0.491 2.335 0.035) 2.386 3.894 ( -0.341 0.776 -0.006) 0.848 3.935 ( 0.743 2.341 0.108) 2.458 3.945 ( 0.455 0.939 0.049) 1.044 3.974 ( -0.109 7.234 0.157) 7.237 4.023 ( -0.799 8.293 -0.155) 8.333 4.047 ( 0.368 10.984 0.733) 11.014 4.116 ( -0.945 10.835 -0.902) 10.913 ======================= Grid point 44 (32/121) ======================= q-point: ( 0.58 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -3.769 -4.926 0.050) 6.202 0.575 ( -4.452 -4.740 0.219) 6.507 0.724 ( -2.580 -5.070 -0.251) 5.695 0.785 ( -1.916 -3.760 -0.335) 4.234 0.857 ( 0.055 -7.180 0.934) 7.241 0.879 ( -0.436 -6.821 0.050) 6.835 0.997 ( -2.079 0.464 0.202) 2.139 1.067 ( -1.810 0.676 -0.273) 1.951 1.222 ( 0.292 -7.543 0.194) 7.551 1.254 ( 1.867 -0.115 -1.007) 2.124 1.289 ( 1.887 -1.713 1.311) 2.866 1.346 ( -0.311 0.831 -1.361) 1.624 1.390 ( -0.362 0.886 -0.459) 1.062 1.450 ( 0.199 -1.677 -0.652) 1.810 1.460 ( 0.219 -0.833 2.105) 2.275 1.505 ( -0.834 -1.471 -0.528) 1.771 1.664 ( -0.918 -5.826 -0.171) 5.901 1.684 ( -0.752 -6.867 0.215) 6.912 1.730 ( -1.375 -4.210 0.105) 4.430 1.772 ( -1.543 -3.882 -0.135) 4.179 1.976 ( 0.067 -1.607 0.017) 1.609 2.013 ( 0.158 -0.586 -0.053) 0.609 2.086 ( 0.359 -0.765 0.605) 1.039 2.111 ( 0.199 0.328 -0.562) 0.680 2.728 ( 0.834 17.965 0.039) 17.984 2.772 ( 0.907 17.847 0.067) 17.870 2.807 ( -1.118 19.377 -0.049) 19.409 2.840 ( -1.266 19.115 -0.038) 19.157 3.336 ( -0.269 0.040 -0.137) 0.304 3.344 ( -0.095 -0.077 0.221) 0.253 3.405 ( 0.025 1.271 0.164) 1.282 3.412 ( -0.171 1.376 -0.297) 1.418 3.584 ( -0.295 0.854 -0.083) 0.908 3.593 ( -0.258 0.847 0.080) 0.889 3.610 ( 0.494 3.542 -0.036) 3.576 3.629 ( 0.325 3.539 -0.071) 3.555 3.735 ( 2.360 3.390 0.464) 4.157 3.748 ( 1.498 1.971 -0.302) 2.494 3.809 ( 1.388 5.378 0.100) 5.555 3.831 ( 1.882 5.410 -0.222) 5.733 3.874 ( -0.591 -3.077 -0.064) 3.134 3.884 ( -0.765 -5.732 -0.178) 5.785 3.917 ( 0.057 0.499 -0.142) 0.521 3.924 ( -1.337 -2.914 0.686) 3.279 3.946 ( 0.852 -0.336 0.069) 0.919 3.954 ( -1.149 -2.255 -0.209) 2.540 4.009 ( -3.160 -7.207 0.738) 7.904 4.040 ( -4.847 -5.744 -0.799) 7.558 ======================= Grid point 45 (33/121) ======================= q-point: ( 0.67 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -1.857 -8.298 -0.017) 8.503 0.690 ( -1.827 -8.447 0.220) 8.645 0.809 ( -0.910 -4.492 -0.235) 4.589 0.848 ( -0.502 -3.360 -0.176) 3.402 0.981 ( -0.132 -4.872 0.295) 4.883 0.991 ( -0.846 -1.659 -0.036) 1.862 1.006 ( -0.255 -5.357 0.458) 5.383 1.048 ( -0.767 0.314 -0.202) 0.853 1.201 ( 1.486 2.860 -0.067) 3.224 1.290 ( -0.112 2.652 -0.570) 2.715 1.329 ( 0.840 -0.577 -0.079) 1.022 1.382 ( 0.235 -0.139 0.527) 0.593 1.396 ( 0.818 -6.179 -0.129) 6.234 1.449 ( -1.633 1.589 0.064) 2.279 1.476 ( 0.886 0.513 0.000) 1.024 1.528 ( -1.098 -2.816 0.042) 3.023 1.769 ( -0.307 -4.853 0.044) 4.863 1.795 ( -0.329 -2.835 -0.294) 2.869 1.809 ( -0.412 -5.668 0.352) 5.694 1.841 ( -0.380 -3.768 -0.071) 3.788 2.012 ( 0.104 -1.843 -0.045) 1.846 2.027 ( 0.006 -0.835 0.092) 0.840 2.109 ( -0.022 -0.335 -0.090) 0.347 2.111 ( 0.064 -1.236 -0.027) 1.238 2.401 ( 0.134 13.619 -0.001) 13.620 2.440 ( -0.354 15.337 0.095) 15.342 2.447 ( 0.230 13.702 -0.068) 13.704 2.475 ( -0.411 15.335 -0.017) 15.341 3.337 ( -0.173 -0.309 -0.071) 0.361 3.349 ( -0.085 -0.520 0.114) 0.539 3.384 ( 0.041 0.832 0.047) 0.834 3.388 ( 0.010 1.016 -0.108) 1.022 3.550 ( 0.145 1.893 0.073) 1.900 3.554 ( 0.351 2.210 -0.065) 2.238 3.563 ( 0.033 1.626 -0.008) 1.626 3.580 ( 0.313 1.735 0.006) 1.763 3.706 ( 0.605 0.828 0.060) 1.027 3.712 ( 0.775 1.433 0.087) 1.632 3.729 ( -0.003 2.688 -0.108) 2.691 3.737 ( 0.193 3.556 -0.027) 3.562 3.883 ( -0.553 0.417 0.037) 0.694 3.903 ( 0.429 1.267 -0.502) 1.429 3.905 ( -0.520 0.489 0.439) 0.838 3.939 ( 0.376 1.805 0.024) 1.844 4.027 ( -0.308 -4.926 0.299) 4.945 4.034 ( -0.711 -4.321 -0.346) 4.393 4.141 ( -1.076 -5.890 0.067) 5.988 4.145 ( -0.680 -6.298 -0.023) 6.335 ======================= Grid point 46 (34/121) ======================= q-point: (-0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.000 -7.894 0.000) 7.894 0.855 ( -0.000 -7.466 0.000) 7.466 0.875 ( -0.000 -1.890 0.000) 1.890 0.895 ( -0.000 -1.241 0.000) 1.241 1.026 ( -0.000 -2.178 0.000) 2.178 1.033 ( 0.000 2.067 -0.000) 2.067 1.044 ( -0.000 -0.206 0.000) 0.206 1.074 ( -0.000 -3.447 0.000) 3.447 1.222 ( -0.000 -4.506 0.000) 4.506 1.236 ( 0.000 2.672 -0.000) 2.672 1.336 ( -0.000 -0.743 0.000) 0.743 1.361 ( 0.000 2.588 -0.000) 2.588 1.395 ( 0.000 2.249 -0.000) 2.249 1.425 ( 0.000 3.807 -0.000) 3.807 1.520 ( -0.000 -4.902 0.000) 4.902 1.598 ( -0.000 -3.207 0.000) 3.207 1.831 ( -0.000 -1.093 0.000) 1.093 1.836 ( -0.000 -1.729 0.000) 1.729 1.891 ( -0.000 -2.288 0.000) 2.288 1.895 ( -0.000 -1.154 0.000) 1.154 2.037 ( -0.000 -0.123 0.000) 0.123 2.041 ( -0.000 -0.054 0.000) 0.054 2.118 ( -0.000 -0.371 0.000) 0.371 2.129 ( 0.000 0.347 -0.000) 0.347 2.260 ( -0.000 -0.553 0.000) 0.553 2.273 ( -0.000 -0.294 0.000) 0.294 2.301 ( -0.000 -0.061 0.000) 0.061 2.303 ( 0.000 0.448 -0.000) 0.448 3.348 ( -0.000 -0.890 0.000) 0.890 3.367 ( -0.000 -1.237 0.000) 1.237 3.370 ( 0.000 0.731 -0.000) 0.731 3.374 ( 0.000 0.387 -0.000) 0.387 3.524 ( 0.000 0.637 -0.000) 0.637 3.527 ( 0.000 0.650 -0.000) 0.650 3.541 ( 0.000 0.474 -0.000) 0.474 3.562 ( 0.000 0.209 -0.000) 0.209 3.688 ( 0.000 1.754 -0.000) 1.754 3.693 ( 0.000 1.304 -0.000) 1.304 3.697 ( 0.000 0.320 -0.000) 0.320 3.699 ( 0.000 0.143 -0.000) 0.143 3.870 ( 0.000 1.664 -0.000) 1.664 3.876 ( -0.000 -0.125 0.000) 0.125 3.892 ( 0.000 2.269 -0.000) 2.269 3.900 ( -0.000 -0.278 0.000) 0.278 4.093 ( -0.000 -1.960 0.000) 1.960 4.101 ( -0.000 -2.393 0.000) 2.393 4.228 ( -0.000 -3.095 0.000) 3.095 4.258 ( -0.000 -5.096 0.000) 5.096 ======================= Grid point 53 (35/121) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 3.378 0.000 -0.121) 3.380 0.489 ( -0.830 -0.000 -2.330) 2.473 0.501 ( 0.952 0.000 1.049) 1.417 0.548 ( 5.619 0.000 0.309) 5.628 0.562 ( 4.505 0.000 -0.336) 4.517 0.660 ( 4.631 0.000 2.095) 5.083 0.719 ( 3.749 0.000 -0.723) 3.818 0.756 ( 1.907 0.000 -0.254) 1.924 0.799 ( 3.131 0.000 0.942) 3.270 0.822 ( 2.296 0.000 -0.898) 2.465 0.850 ( -2.502 -0.000 1.230) 2.788 1.002 ( -4.138 -0.000 0.427) 4.160 1.089 ( -1.343 -0.000 0.004) 1.343 1.124 ( -1.766 -0.000 0.008) 1.766 1.134 ( 2.147 0.000 -0.403) 2.184 1.242 ( 1.932 0.000 -0.778) 2.083 1.437 ( 1.355 0.000 -1.626) 2.117 1.476 ( 0.037 0.000 -0.432) 0.433 1.533 ( -0.306 -0.000 3.465) 3.479 1.643 ( -0.951 -0.000 -1.558) 1.825 1.990 ( -0.414 -0.000 0.739) 0.847 2.021 ( -0.562 -0.000 -0.705) 0.902 2.165 ( 0.512 0.000 -0.019) 0.512 2.175 ( -0.537 -0.000 0.028) 0.537 2.419 ( 1.862 0.000 -0.032) 1.862 2.459 ( 2.930 0.000 0.122) 2.933 2.475 ( 2.565 0.000 -0.132) 2.569 2.508 ( 3.582 0.000 0.039) 3.582 3.353 ( 0.461 0.000 0.211) 0.507 3.366 ( 0.312 0.000 -0.247) 0.398 3.397 ( -0.128 -0.000 -0.067) 0.145 3.411 ( -0.158 -0.000 0.123) 0.200 3.484 ( -1.884 -0.000 -0.191) 1.894 3.520 ( -1.865 -0.000 0.151) 1.871 3.537 ( 0.047 0.000 -0.036) 0.059 3.564 ( -0.188 -0.000 -0.036) 0.191 3.614 ( 0.647 0.000 -0.028) 0.647 3.619 ( 0.305 0.000 0.012) 0.306 3.912 ( -1.162 -0.000 -0.296) 1.199 3.959 ( -1.102 -0.000 1.367) 1.756 3.981 ( -1.048 -0.000 -1.056) 1.488 4.042 ( -1.433 -0.000 0.068) 1.435 4.108 ( 0.577 0.000 0.043) 0.579 4.135 ( 0.303 0.000 -0.031) 0.304 4.452 ( 1.629 0.000 -0.451) 1.691 4.507 ( 2.384 0.000 2.012) 3.119 4.569 ( 4.704 0.000 -1.441) 4.920 4.650 ( 4.805 0.000 -0.124) 4.806 ======================= Grid point 54 (36/121) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 2.054 -0.706 -0.522) 2.234 0.476 ( 0.128 -1.056 -0.937) 1.417 0.516 ( 1.545 -1.085 0.577) 1.975 0.629 ( 5.025 -0.049 1.275) 5.184 0.671 ( 4.515 -1.784 -0.990) 4.954 0.723 ( 1.176 0.042 -0.180) 1.191 0.753 ( -0.387 -5.705 -0.207) 5.722 0.777 ( 0.414 -8.149 0.277) 8.165 0.859 ( -1.129 -3.405 1.393) 3.848 0.967 ( -2.037 -3.527 0.345) 4.088 0.992 ( 1.819 -13.292 0.607) 13.430 1.022 ( 1.391 -11.943 -0.137) 12.025 1.127 ( 1.034 -2.101 -0.558) 2.408 1.198 ( -0.543 -5.924 -0.774) 5.999 1.216 ( -0.067 -8.279 0.049) 8.279 1.276 ( 0.786 -4.105 -0.055) 4.179 1.435 ( 1.377 0.613 -1.437) 2.083 1.464 ( -0.693 0.611 -0.334) 0.982 1.526 ( 0.239 1.131 3.244) 3.444 1.623 ( -0.750 0.839 -1.657) 2.003 1.976 ( -0.268 1.075 0.330) 1.157 2.011 ( -0.271 0.449 -0.408) 0.665 2.145 ( -0.171 1.960 0.620) 2.062 2.160 ( 0.591 0.760 -0.490) 1.081 2.665 ( -0.194 -20.685 0.067) 20.686 2.706 ( 0.633 -20.447 -0.187) 20.458 2.733 ( -0.782 -21.398 0.222) 21.413 2.766 ( -0.056 -21.111 -0.115) 21.112 3.352 ( 0.265 0.375 0.194) 0.499 3.362 ( 0.158 0.430 -0.103) 0.469 3.406 ( -0.040 -0.350 0.014) 0.352 3.420 ( -0.171 -0.490 0.135) 0.536 3.440 ( -1.635 3.148 -0.395) 3.569 3.474 ( -1.498 3.438 0.050) 3.751 3.531 ( -0.108 0.667 -0.068) 0.679 3.554 ( -0.134 0.828 0.162) 0.854 3.607 ( 0.087 1.290 0.244) 1.316 3.612 ( -0.202 0.714 -0.336) 0.814 3.885 ( -0.795 1.978 -0.258) 2.147 3.930 ( -0.702 2.515 1.265) 2.901 3.952 ( -0.809 1.854 -1.042) 2.275 4.012 ( -0.895 1.977 0.162) 2.176 4.063 ( 0.426 4.550 -0.033) 4.570 4.090 ( 0.233 4.329 0.005) 4.335 4.384 ( 1.298 7.376 -0.417) 7.501 4.446 ( 1.809 7.527 1.407) 7.868 4.513 ( 3.556 7.949 -0.884) 8.753 4.592 ( 3.414 8.251 -0.100) 8.930 ======================= Grid point 55 (37/121) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 1.759 -1.142 -0.142) 2.102 0.519 ( 0.269 -1.577 -1.650) 2.298 0.561 ( -0.495 -2.688 0.921) 2.884 0.648 ( 2.900 -0.664 1.771) 3.462 0.671 ( 1.188 -0.409 -0.949) 1.574 0.691 ( -0.984 0.358 0.005) 1.048 0.906 ( 1.124 -6.888 0.030) 6.979 0.949 ( -1.221 -6.137 0.209) 6.261 0.985 ( -1.533 -7.764 0.858) 7.961 1.030 ( -1.153 -5.234 0.315) 5.369 1.184 ( 0.712 -4.804 -0.760) 4.916 1.253 ( 0.291 -8.160 0.029) 8.165 1.262 ( 0.403 -5.382 -0.906) 5.472 1.307 ( 0.256 -11.829 -0.008) 11.832 1.411 ( 1.120 -7.246 -0.181) 7.334 1.423 ( 0.120 -3.697 0.049) 3.699 1.443 ( 0.380 -3.296 -0.256) 3.328 1.469 ( -1.107 -5.736 -0.362) 5.853 1.513 ( 0.453 0.053 2.280) 2.326 1.604 ( -0.419 0.169 -1.262) 1.340 1.954 ( -0.233 0.742 -0.006) 0.778 2.002 ( -0.119 0.207 -0.065) 0.247 2.108 ( 0.088 1.727 0.568) 1.820 2.143 ( 0.373 1.082 -0.424) 1.220 3.084 ( -1.542 -16.706 -0.108) 16.777 3.136 ( -0.421 -17.824 0.547) 17.837 3.156 ( -1.822 -17.615 -0.473) 17.715 3.196 ( -0.571 -18.850 0.056) 18.858 3.335 ( -0.285 2.258 0.690) 2.378 3.337 ( 0.173 2.510 0.524) 2.570 3.359 ( -0.956 2.285 -0.979) 2.663 3.388 ( -0.250 0.753 -0.502) 0.939 3.393 ( -0.590 1.487 0.326) 1.633 3.410 ( -1.179 -0.369 -0.273) 1.265 3.516 ( -0.344 -0.012 0.022) 0.344 3.539 ( -0.304 -0.207 0.276) 0.459 3.583 ( -0.476 0.194 0.086) 0.522 3.596 ( -0.524 -0.135 -0.298) 0.617 3.828 ( -0.374 3.358 -0.178) 3.383 3.856 ( -0.140 4.939 0.473) 4.963 3.908 ( -0.419 1.766 -0.369) 1.852 3.957 ( 0.104 5.047 0.619) 5.086 3.969 ( -0.100 2.094 -0.489) 2.153 3.997 ( 0.121 4.181 0.054) 4.183 4.193 ( 0.793 11.838 -0.187) 11.866 4.256 ( 0.967 12.222 0.682) 12.279 4.312 ( 1.800 13.230 -0.296) 13.355 4.383 ( 1.513 13.741 -0.194) 13.826 ======================= Grid point 56 (38/121) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -0.954 -0.104 0.254) 0.993 0.510 ( -1.485 0.090 -0.533) 1.580 0.620 ( -1.010 -3.967 -0.011) 4.094 0.705 ( -0.766 -2.962 -0.198) 3.066 0.734 ( 0.993 -5.525 1.042) 5.709 0.752 ( 0.139 -5.716 -0.277) 5.724 0.990 ( -0.970 -0.653 0.075) 1.172 1.060 ( -0.407 -1.601 -0.883) 1.873 1.067 ( -0.314 -7.303 1.166) 7.402 1.148 ( -0.060 -6.642 -0.006) 6.643 1.294 ( -0.317 -5.276 -0.442) 5.304 1.336 ( 1.854 -0.778 0.082) 2.012 1.356 ( -1.177 -3.421 -0.849) 3.716 1.418 ( 0.204 0.139 0.100) 0.267 1.460 ( 0.609 0.965 0.670) 1.323 1.479 ( -0.495 -4.071 -0.164) 4.105 1.536 ( -0.418 -7.772 0.311) 7.790 1.584 ( 1.981 -1.265 -0.089) 2.353 1.617 ( -0.777 -6.963 -0.091) 7.007 1.658 ( -1.873 -6.927 -0.112) 7.177 1.952 ( -0.040 -0.677 -0.013) 0.679 2.003 ( 0.009 -0.352 -0.016) 0.353 2.087 ( 0.195 0.526 0.380) 0.677 2.123 ( 0.171 0.876 -0.301) 0.942 3.049 ( 0.430 12.634 -0.009) 12.641 3.091 ( 0.552 12.754 0.234) 12.768 3.135 ( -0.961 13.397 -0.306) 13.435 3.163 ( -0.876 13.460 0.094) 13.489 3.337 ( 0.009 -0.071 0.063) 0.096 3.344 ( 0.004 -0.197 0.028) 0.199 3.425 ( -0.220 -0.736 -0.244) 0.807 3.428 ( -0.017 -0.077 0.246) 0.258 3.554 ( -0.691 -9.135 -0.238) 9.164 3.574 ( -0.142 -2.547 0.007) 2.551 3.610 ( -0.064 -9.184 0.434) 9.195 3.629 ( -0.331 -6.273 -0.339) 6.291 3.660 ( -0.489 -13.741 -0.144) 13.750 3.672 ( -0.463 -6.494 -0.148) 6.512 3.757 ( -0.225 1.453 0.036) 1.470 3.775 ( -0.048 -2.065 0.367) 2.098 3.876 ( -0.136 2.097 -0.257) 2.117 3.896 ( 0.209 1.254 0.205) 1.288 3.942 ( 0.259 1.432 0.012) 1.455 3.949 ( 0.256 0.866 -0.013) 0.903 3.974 ( -0.038 7.983 0.044) 7.983 4.017 ( -0.264 10.661 -0.039) 10.664 4.051 ( 0.126 12.372 0.233) 12.375 4.107 ( -0.217 13.198 -0.261) 13.202 ======================= Grid point 57 (39/121) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.000 -4.698 0.000) 4.698 0.547 ( -0.000 -4.772 0.000) 4.772 0.706 ( -0.000 -5.059 0.000) 5.059 0.771 ( -0.000 -3.861 0.000) 3.861 0.859 ( -0.000 -6.524 0.000) 6.524 0.878 ( -0.000 -6.770 0.000) 6.770 0.984 ( 0.000 0.353 -0.000) 0.353 1.055 ( 0.000 0.579 -0.000) 0.579 1.223 ( -0.000 -6.657 0.000) 6.657 1.261 ( -0.000 -3.185 0.000) 3.185 1.315 ( 0.000 0.060 -0.000) 0.060 1.335 ( 0.000 1.241 -0.000) 1.241 1.385 ( -0.000 -0.053 0.000) 0.053 1.445 ( -0.000 -1.787 0.000) 1.787 1.471 ( -0.000 -1.662 0.000) 1.662 1.499 ( 0.000 0.515 -0.000) 0.515 1.658 ( -0.000 -5.495 0.000) 5.495 1.680 ( -0.000 -6.893 0.000) 6.893 1.721 ( -0.000 -4.308 0.000) 4.308 1.761 ( -0.000 -4.203 0.000) 4.203 1.976 ( -0.000 -1.632 0.000) 1.632 2.014 ( -0.000 -0.603 0.000) 0.603 2.090 ( -0.000 -0.708 0.000) 0.708 2.111 ( 0.000 0.411 -0.000) 0.411 2.735 ( 0.000 18.115 -0.000) 18.115 2.780 ( 0.000 17.963 -0.000) 17.963 2.798 ( 0.000 19.156 -0.000) 19.156 2.830 ( 0.000 18.908 -0.000) 18.908 3.335 ( 0.000 0.108 -0.000) 0.108 3.344 ( -0.000 -0.040 0.000) 0.040 3.405 ( 0.000 1.259 -0.000) 1.259 3.411 ( 0.000 1.315 -0.000) 1.315 3.582 ( 0.000 0.798 -0.000) 0.798 3.591 ( 0.000 0.757 -0.000) 0.757 3.613 ( 0.000 3.447 -0.000) 3.447 3.631 ( 0.000 3.410 -0.000) 3.410 3.751 ( 0.000 3.727 -0.000) 3.727 3.760 ( 0.000 1.412 -0.000) 1.412 3.815 ( 0.000 5.445 -0.000) 5.445 3.842 ( 0.000 5.671 -0.000) 5.671 3.874 ( -0.000 -1.339 0.000) 1.339 3.890 ( -0.000 -2.631 0.000) 2.631 3.895 ( -0.000 -5.568 0.000) 5.568 3.927 ( -0.000 -0.649 0.000) 0.649 3.940 ( -0.000 -2.975 0.000) 2.975 3.955 ( 0.000 0.042 -0.000) 0.042 3.998 ( -0.000 -7.394 0.000) 7.394 3.999 ( -0.000 -6.630 0.000) 6.630 ======================= Grid point 67 (40/121) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -0.816 -0.000 0.132) 0.827 0.469 ( -0.506 -0.000 -0.658) 0.831 0.525 ( 2.433 0.000 -0.066) 2.434 0.591 ( 1.692 0.000 -0.417) 1.742 0.605 ( 2.449 0.000 0.519) 2.504 0.701 ( 2.177 0.000 -0.726) 2.295 0.735 ( -1.062 -0.000 -0.128) 1.069 0.772 ( 0.762 0.000 0.526) 0.926 0.832 ( 1.911 0.000 -0.432) 1.959 0.854 ( 2.794 0.000 0.372) 2.819 0.856 ( 1.790 0.000 1.747) 2.501 0.962 ( -2.295 -0.000 0.086) 2.297 1.073 ( -1.163 -0.000 -0.050) 1.164 1.104 ( -1.390 -0.000 0.034) 1.390 1.160 ( 1.914 0.000 -0.400) 1.956 1.264 ( 1.802 0.000 -0.325) 1.831 1.446 ( 1.161 0.000 -1.678) 2.040 1.467 ( -1.116 -0.000 0.286) 1.152 1.546 ( 0.222 0.000 2.787) 2.795 1.622 ( -1.204 -0.000 -1.609) 2.009 1.989 ( -0.191 -0.000 0.511) 0.545 2.014 ( -0.237 -0.000 -0.527) 0.578 2.169 ( 0.225 0.000 -1.330) 1.349 2.172 ( -0.114 -0.000 1.350) 1.355 2.437 ( 1.116 0.000 -0.059) 1.118 2.490 ( 1.783 0.000 0.425) 1.833 2.500 ( 1.489 0.000 -0.404) 1.543 2.545 ( 2.129 0.000 0.034) 2.130 3.358 ( 0.240 0.000 0.099) 0.260 3.368 ( 0.233 0.000 -0.107) 0.257 3.399 ( 0.396 0.000 -0.042) 0.399 3.412 ( 0.175 0.000 0.089) 0.196 3.460 ( -1.773 -0.000 -0.125) 1.777 3.498 ( -1.593 -0.000 0.089) 1.595 3.537 ( -0.015 -0.000 -0.028) 0.031 3.562 ( -0.131 -0.000 -0.031) 0.135 3.621 ( 0.478 0.000 -0.042) 0.480 3.624 ( 0.357 0.000 0.032) 0.359 3.901 ( -0.571 -0.000 -0.158) 0.593 3.953 ( -0.676 -0.000 1.479) 1.627 3.965 ( -0.657 -0.000 -1.307) 1.463 4.028 ( -0.779 -0.000 0.051) 0.781 4.114 ( 0.408 0.000 0.044) 0.411 4.139 ( 0.273 0.000 -0.031) 0.275 4.465 ( 0.818 0.000 -0.360) 0.894 4.535 ( 1.194 0.000 0.981) 1.545 4.612 ( 2.702 0.000 -0.582) 2.764 4.696 ( 2.566 0.000 -0.039) 2.566 ======================= Grid point 68 (41/121) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.094 -1.807 -0.275) 1.830 0.474 ( 0.063 -1.611 -0.189) 1.624 0.537 ( 1.170 -0.260 0.192) 1.214 0.673 ( 1.997 0.085 -0.228) 2.012 0.709 ( 1.364 -0.035 -0.699) 1.533 0.733 ( 0.285 1.073 0.684) 1.304 0.743 ( -0.194 -8.127 0.071) 8.129 0.776 ( -0.350 -8.921 -0.172) 8.930 0.858 ( -0.063 -1.073 0.980) 1.455 0.950 ( -0.829 -2.542 0.177) 2.680 1.011 ( 0.796 -12.512 0.176) 12.538 1.039 ( 1.031 -12.851 -0.066) 12.893 1.132 ( 0.177 -2.931 -0.326) 2.955 1.189 ( -0.432 -7.428 -0.206) 7.444 1.217 ( 0.147 -7.128 0.016) 7.129 1.285 ( 0.500 -2.724 -0.067) 2.770 1.444 ( 1.067 0.458 -1.282) 1.730 1.454 ( -1.020 0.605 0.647) 1.351 1.540 ( 0.230 1.105 1.492) 1.871 1.609 ( -0.471 0.353 -0.957) 1.124 1.974 ( -0.095 1.168 0.131) 1.180 2.008 ( -0.090 0.353 -0.167) 0.401 2.145 ( -0.075 1.779 0.129) 1.786 2.164 ( 0.229 0.833 -0.079) 0.867 2.662 ( -0.146 -19.723 -0.032) 19.724 2.714 ( 0.506 -19.316 0.225) 19.324 2.726 ( -0.340 -19.873 -0.197) 19.877 2.769 ( 0.278 -19.360 -0.002) 19.362 3.355 ( 0.093 0.448 0.064) 0.462 3.364 ( 0.083 0.467 0.003) 0.474 3.407 ( 0.234 -0.076 -0.044) 0.250 3.420 ( -0.091 0.267 0.208) 0.351 3.422 ( -0.788 2.332 -0.266) 2.476 3.460 ( -0.691 3.035 0.000) 3.112 3.529 ( -0.060 0.772 -0.029) 0.775 3.554 ( -0.051 0.768 0.087) 0.775 3.608 ( -0.011 1.643 0.020) 1.643 3.610 ( 0.015 1.216 -0.080) 1.218 3.878 ( -0.280 1.933 -0.095) 1.955 3.929 ( -0.228 2.426 0.846) 2.579 3.941 ( -0.334 1.669 -0.757) 1.863 4.005 ( -0.297 1.754 0.055) 1.780 4.067 ( 0.180 4.658 -0.001) 4.661 4.093 ( 0.120 4.393 -0.002) 4.395 4.394 ( 0.435 7.328 -0.182) 7.343 4.465 ( 0.614 7.566 0.467) 7.605 4.541 ( 1.269 8.197 -0.256) 8.298 4.620 ( 1.185 8.564 -0.029) 8.646 ======================= Grid point 69 (42/121) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.000 -0.944 0.000) 0.944 0.518 ( -0.000 -1.022 0.000) 1.022 0.559 ( -0.000 -1.876 0.000) 1.876 0.669 ( -0.000 -0.314 0.000) 0.314 0.678 ( 0.000 0.396 -0.000) 0.396 0.684 ( 0.000 0.160 -0.000) 0.160 0.926 ( -0.000 -5.918 0.000) 5.918 0.929 ( -0.000 -6.353 0.000) 6.353 0.977 ( -0.000 -8.077 0.000) 8.077 1.024 ( -0.000 -5.437 0.000) 5.437 1.186 ( -0.000 -4.153 0.000) 4.153 1.255 ( -0.000 -10.077 0.000) 10.077 1.263 ( -0.000 -2.791 0.000) 2.791 1.309 ( -0.000 -12.345 0.000) 12.345 1.418 ( -0.000 -8.660 0.000) 8.660 1.424 ( -0.000 -3.485 0.000) 3.485 1.445 ( -0.000 -0.665 0.000) 0.665 1.461 ( -0.000 -7.398 0.000) 7.398 1.520 ( -0.000 -0.074 0.000) 0.074 1.599 ( 0.000 0.549 -0.000) 0.549 1.953 ( 0.000 0.747 -0.000) 0.747 2.001 ( 0.000 0.163 -0.000) 0.163 2.110 ( 0.000 1.611 -0.000) 1.611 2.144 ( 0.000 1.122 -0.000) 1.122 3.074 ( -0.000 -16.586 0.000) 16.586 3.139 ( -0.000 -19.951 0.000) 19.951 3.139 ( -0.000 -15.953 0.000) 15.953 3.193 ( -0.000 -19.353 0.000) 19.353 3.332 ( 0.000 2.961 -0.000) 2.961 3.345 ( 0.000 2.521 -0.000) 2.521 3.349 ( 0.000 1.934 -0.000) 1.934 3.388 ( 0.000 1.575 -0.000) 1.575 3.388 ( 0.000 0.805 -0.000) 0.805 3.402 ( 0.000 0.500 -0.000) 0.500 3.514 ( 0.000 0.007 -0.000) 0.007 3.538 ( -0.000 -0.079 0.000) 0.079 3.580 ( 0.000 0.364 -0.000) 0.364 3.592 ( -0.000 -0.043 0.000) 0.043 3.826 ( 0.000 3.273 -0.000) 3.273 3.856 ( 0.000 4.933 -0.000) 4.933 3.904 ( 0.000 1.628 -0.000) 1.628 3.959 ( 0.000 5.246 -0.000) 5.246 3.967 ( 0.000 1.758 -0.000) 1.758 3.998 ( 0.000 4.157 -0.000) 4.157 4.198 ( 0.000 11.901 -0.000) 11.901 4.263 ( 0.000 12.441 -0.000) 12.441 4.322 ( 0.000 13.492 -0.000) 13.492 4.392 ( 0.000 14.138 -0.000) 14.138 ======================= Grid point 82 (43/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 67 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 0.000 0.000) 0.000 0.467 ( -0.000 -0.000 0.000) 0.000 0.544 ( 0.000 0.000 0.000) 0.000 0.599 ( 0.000 0.000 0.000) 0.000 0.621 ( 0.000 0.000 0.000) 0.000 0.713 ( 0.000 0.000 -0.000) 0.000 0.722 ( -0.000 -0.000 0.000) 0.000 0.778 ( 0.000 0.000 -0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 -0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.948 ( 0.000 0.000 0.000) 0.000 1.065 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.276 ( -0.000 -0.000 0.000) 0.000 1.452 ( -0.000 -0.000 0.000) 0.000 1.458 ( 0.000 0.000 -0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.989 ( 0.000 0.000 -0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 -0.000) 0.000 2.174 ( -0.000 -0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 -0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 -0.000) 0.000 3.957 ( -0.000 -0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.021 ( 9.572 0.000 1.185) 9.645 0.053 ( -3.743 -0.000 -1.140) 3.913 0.158 ( -1.059 -0.000 8.675) 8.739 0.257 ( 0.277 0.000 7.028) 7.033 0.338 ( 2.587 0.000 0.941) 2.753 0.516 ( 1.331 0.000 -6.600) 6.733 0.554 ( -2.824 -0.000 -0.532) 2.874 0.691 ( 0.044 0.000 -3.190) 3.191 0.749 ( -0.071 -0.000 0.817) 0.820 0.786 ( 0.066 0.000 -0.756) 0.759 0.995 ( -0.095 -0.000 5.142) 5.143 1.122 ( -0.001 -0.000 0.035) 0.035 1.140 ( 0.783 0.000 -3.519) 3.605 1.172 ( -0.002 -0.000 -0.020) 0.020 1.203 ( -0.275 -0.000 0.109) 0.296 1.298 ( 0.318 0.000 0.334) 0.461 1.343 ( -0.796 -0.000 1.190) 1.432 1.421 ( -0.125 -0.000 -1.736) 1.741 1.530 ( -0.078 -0.000 1.807) 1.809 1.617 ( 0.124 0.000 -0.699) 0.709 2.095 ( -0.275 -0.000 -0.042) 0.279 2.103 ( 0.208 0.000 -0.424) 0.473 2.174 ( -0.508 -0.000 0.889) 1.024 2.199 ( 0.170 0.000 -0.487) 0.515 2.335 ( 0.087 0.000 0.092) 0.126 2.353 ( -0.004 -0.000 0.199) 0.199 2.370 ( -0.082 -0.000 0.020) 0.084 2.388 ( -0.001 -0.000 -0.309) 0.309 3.337 ( -0.531 -0.000 0.177) 0.559 3.348 ( 0.973 0.000 -0.232) 1.001 3.426 ( 0.018 0.000 0.029) 0.035 3.432 ( -0.032 -0.000 -0.043) 0.053 3.488 ( 0.041 0.000 0.036) 0.055 3.519 ( -0.046 -0.000 0.551) 0.553 3.530 ( -0.032 -0.000 -0.026) 0.041 3.556 ( 0.045 0.000 -0.595) 0.597 3.625 ( 0.008 0.000 0.015) 0.017 3.647 ( -0.003 -0.000 -0.009) 0.009 3.965 ( -0.315 -0.000 -0.074) 0.324 3.977 ( 0.595 0.000 -0.411) 0.723 4.039 ( 0.313 0.000 1.719) 1.747 4.093 ( -0.297 -0.000 -1.250) 1.285 4.129 ( 0.015 0.000 0.411) 0.411 4.156 ( 0.275 0.000 -0.135) 0.306 4.231 ( 4.232 0.000 1.900) 4.639 4.292 ( -2.971 -0.000 -3.339) 4.469 4.410 ( 0.212 0.000 2.406) 2.415 4.444 ( -0.361 -0.000 -1.103) 1.161 ======================= Grid point 152 (45/121) ======================= q-point: ( 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 0.721 -8.275 4.514) 9.454 0.276 ( 1.989 -6.515 1.234) 6.923 0.381 ( 2.776 -2.972 2.805) 4.940 0.464 ( 1.722 -8.271 -6.660) 10.758 0.524 ( 1.217 -7.894 3.012) 8.536 0.554 ( 1.321 -16.660 -1.668) 16.796 0.580 ( 1.713 -14.178 0.846) 14.306 0.685 ( 0.369 -1.692 -2.759) 3.258 0.943 ( -0.076 -14.341 0.330) 14.345 0.959 ( 0.104 -14.567 -0.005) 14.567 1.001 ( -0.464 -1.660 3.577) 3.971 1.121 ( -0.174 0.204 -3.198) 3.209 1.142 ( -1.764 -0.974 0.102) 2.018 1.230 ( -0.630 -4.659 0.045) 4.702 1.257 ( -1.109 -6.559 0.128) 6.653 1.302 ( -0.215 -1.278 0.045) 1.296 1.332 ( 0.618 0.796 1.066) 1.467 1.408 ( 1.706 0.609 -1.182) 2.163 1.531 ( -0.003 -0.136 1.616) 1.622 1.613 ( 0.404 -0.118 -0.838) 0.938 1.995 ( -0.221 1.646 0.758) 1.826 2.033 ( -0.130 1.739 -0.893) 1.960 2.126 ( 0.346 1.904 -0.349) 1.966 2.152 ( -0.166 1.727 0.548) 1.820 2.649 ( 0.180 -23.968 0.775) 23.982 2.677 ( -0.019 -25.620 -1.932) 25.693 2.978 ( -4.319 -32.937 12.503) 35.494 3.161 ( -9.436 -23.469 -13.706) 28.770 3.339 ( -0.168 -0.350 0.416) 0.569 3.350 ( 0.367 0.062 -0.571) 0.681 3.429 ( -0.044 0.059 -0.083) 0.111 3.441 ( -0.173 -0.723 -0.011) 0.743 3.509 ( 0.350 1.098 0.357) 1.207 3.529 ( -1.458 -1.728 1.221) 2.569 3.545 ( 0.528 0.095 0.150) 0.557 3.582 ( -4.361 -4.838 -4.516) 7.926 3.611 ( 0.293 0.644 -0.557) 0.901 3.629 ( 0.730 0.259 -1.422) 1.619 3.932 ( -0.477 2.893 0.063) 2.932 3.947 ( 0.344 3.217 -0.445) 3.266 4.021 ( -0.722 1.770 1.302) 2.313 4.062 ( -1.573 2.320 -0.846) 2.928 4.096 ( -0.598 2.821 0.524) 2.931 4.120 ( -1.284 3.142 -0.115) 3.396 4.207 ( 5.983 6.453 -1.812) 8.984 4.222 ( 4.364 5.656 0.800) 7.188 4.324 ( 1.676 7.882 1.864) 8.271 4.352 ( 0.842 8.204 -1.223) 8.337 ======================= Grid point 153 (46/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -0.134 -11.740 2.564) 12.017 0.464 ( 1.578 -10.147 2.667) 10.610 0.497 ( 1.465 -7.081 0.660) 7.261 0.556 ( 0.981 -6.295 -7.146) 9.574 0.611 ( -0.530 -6.228 1.951) 6.548 0.715 ( 0.076 -4.596 -1.066) 4.719 0.930 ( -0.601 -11.601 0.008) 11.617 0.965 ( 0.365 -15.198 0.256) 15.205 1.026 ( -0.530 -3.625 2.797) 4.610 1.121 ( -1.113 -1.696 -2.811) 3.467 1.179 ( -1.403 -6.269 0.469) 6.441 1.259 ( -0.895 -11.371 0.048) 11.406 1.277 ( -0.163 -13.586 -0.051) 13.587 1.296 ( 1.608 -5.115 -0.383) 5.376 1.321 ( -0.090 -2.612 0.957) 2.784 1.376 ( 0.737 -3.430 -0.139) 3.511 1.402 ( 0.715 -6.033 0.050) 6.076 1.410 ( 2.139 -0.172 -0.764) 2.278 1.559 ( -0.761 -3.664 1.172) 3.921 1.637 ( -0.411 -3.004 -0.657) 3.103 1.973 ( -0.277 0.731 0.044) 0.783 2.009 ( -0.019 0.764 -0.206) 0.792 2.095 ( 0.346 1.525 -0.239) 1.582 2.120 ( 0.127 1.524 0.367) 1.572 3.146 ( -0.076 -20.363 1.081) 20.392 3.167 ( -0.449 -17.845 -1.460) 17.910 3.290 ( -1.606 -1.362 0.145) 2.110 3.312 ( -1.936 0.076 -0.413) 1.981 3.333 ( 0.098 1.488 0.159) 1.500 3.335 ( 0.297 1.035 -0.194) 1.094 3.403 ( -0.795 0.922 0.499) 1.316 3.437 ( -0.808 -0.195 -0.209) 0.857 3.485 ( 0.723 0.905 -0.934) 1.488 3.501 ( -0.793 1.566 -0.047) 1.756 3.582 ( -1.260 -0.652 0.144) 1.426 3.586 ( -1.155 -1.407 0.040) 1.821 3.678 ( -3.145 -9.823 6.563) 12.225 3.725 ( -5.387 -6.615 -5.102) 9.940 3.855 ( -0.489 4.198 0.047) 4.227 3.861 ( 0.158 5.307 -0.123) 5.311 3.966 ( -1.475 4.129 1.471) 4.625 3.991 ( -2.786 2.175 -0.914) 3.651 4.023 ( -2.359 4.551 0.012) 5.126 4.038 ( -2.485 2.588 0.282) 3.599 4.087 ( 3.741 7.198 0.235) 8.116 4.127 ( 4.161 6.925 2.060) 8.338 4.141 ( 2.248 10.934 -1.681) 11.289 4.191 ( 5.060 7.203 -1.963) 9.019 ======================= Grid point 154 (47/121) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.688 -6.982 2.261) 7.371 0.657 ( -0.549 -7.681 1.100) 7.779 0.693 ( -1.770 -10.755 -1.034) 10.948 0.712 ( -0.631 -9.944 -2.895) 10.376 0.761 ( -1.568 -8.656 0.463) 8.810 0.826 ( -1.793 -6.608 0.090) 6.848 1.024 ( -0.473 -2.070 0.055) 2.124 1.099 ( -0.644 -3.972 0.769) 4.096 1.145 ( -0.455 -3.506 0.099) 3.537 1.173 ( -0.715 -4.257 -0.354) 4.331 1.269 ( -0.287 2.053 -0.098) 2.075 1.333 ( -0.520 -3.166 -0.903) 3.333 1.395 ( -0.171 -2.952 -0.008) 2.957 1.405 ( -0.329 -2.958 0.703) 3.058 1.435 ( 0.239 -2.664 -0.320) 2.694 1.442 ( -0.589 -6.261 0.150) 6.290 1.566 ( 0.523 -11.259 0.810) 11.301 1.578 ( 0.186 -10.531 -0.604) 10.550 1.670 ( -0.836 -6.523 0.448) 6.592 1.721 ( -0.376 -5.050 -0.519) 5.091 1.962 ( -0.294 0.107 -0.105) 0.330 1.998 ( 0.157 0.311 0.008) 0.349 2.071 ( 0.160 0.824 0.248) 0.875 2.099 ( 0.409 0.764 -0.168) 0.883 3.084 ( -1.645 14.249 0.018) 14.344 3.126 ( -1.491 14.331 -0.092) 14.409 3.138 ( 0.949 12.919 0.015) 12.954 3.179 ( 0.835 12.929 -0.042) 12.956 3.343 ( -0.124 -0.579 -0.150) 0.611 3.345 ( -0.017 -0.440 0.129) 0.459 3.439 ( -0.305 1.312 0.711) 1.523 3.455 ( -0.426 1.839 -0.693) 2.010 3.575 ( 0.202 -3.162 0.052) 3.169 3.585 ( 0.212 -4.481 0.017) 4.486 3.671 ( -0.902 -9.271 0.228) 9.318 3.697 ( -1.466 -2.306 -0.042) 2.733 3.715 ( -0.562 -5.726 -0.904) 5.824 3.724 ( -0.592 2.499 -0.715) 2.666 3.758 ( 0.682 5.611 0.155) 5.655 3.789 ( -0.382 3.752 0.113) 3.773 3.861 ( -0.307 6.346 0.886) 6.415 3.897 ( 0.046 5.621 -0.329) 5.630 3.933 ( -0.234 3.640 0.405) 3.670 3.937 ( 0.052 4.603 0.207) 4.608 3.991 ( -0.133 2.079 0.756) 2.217 4.009 ( 0.371 1.739 -0.950) 2.016 4.127 ( -2.608 -4.920 5.561) 7.870 4.181 ( -2.756 -4.624 -5.321) 7.569 ======================= Grid point 155 (48/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -2.323 -6.597 0.880) 7.049 0.785 ( -2.461 -6.162 0.244) 6.640 0.824 ( -3.375 -4.654 -0.934) 5.824 0.857 ( -3.303 -4.715 -0.457) 5.775 0.918 ( -2.090 -7.558 -0.317) 7.848 0.944 ( -2.150 -6.735 0.806) 7.116 1.043 ( 1.784 0.485 0.010) 1.849 1.157 ( -1.413 -1.147 -0.426) 1.869 1.164 ( -1.079 0.911 0.607) 1.537 1.250 ( -0.633 -2.913 0.506) 3.023 1.275 ( 0.596 -4.851 0.036) 4.888 1.301 ( -0.259 2.463 -1.265) 2.781 1.395 ( -0.242 1.510 -0.239) 1.548 1.405 ( 0.827 1.655 0.591) 1.942 1.533 ( -1.991 -4.300 0.196) 4.743 1.568 ( -2.257 -4.913 -0.083) 5.407 1.733 ( -1.708 -6.186 0.185) 6.420 1.744 ( -1.718 -6.749 0.087) 6.964 1.777 ( -0.471 -4.529 -0.161) 4.556 1.813 ( -0.033 -4.252 -0.128) 4.254 1.971 ( 0.070 -1.269 0.039) 1.272 2.000 ( 0.292 -0.442 -0.036) 0.531 2.073 ( 0.402 -0.834 0.476) 1.042 2.094 ( 0.329 -0.103 -0.552) 0.651 2.736 ( -1.415 18.591 0.113) 18.645 2.778 ( -1.390 18.663 -0.200) 18.716 2.817 ( 0.972 18.932 0.028) 18.957 2.855 ( 0.790 19.174 0.038) 19.190 3.349 ( -0.326 -0.340 -0.369) 0.598 3.353 ( -0.152 -0.415 0.395) 0.593 3.409 ( -0.037 1.523 0.586) 1.633 3.414 ( -0.082 1.864 -0.599) 1.959 3.593 ( -0.083 4.369 -0.078) 4.370 3.603 ( -0.528 1.661 -0.196) 1.754 3.609 ( -0.299 1.574 0.165) 1.611 3.619 ( -0.136 4.036 -0.110) 4.040 3.658 ( 1.331 1.466 0.275) 1.999 3.681 ( 1.436 4.555 -0.043) 4.777 3.755 ( 0.594 3.282 0.137) 3.338 3.772 ( 0.943 3.911 -0.098) 4.024 3.853 ( 1.584 -1.500 -0.190) 2.190 3.875 ( 1.900 -1.617 -0.015) 2.495 3.897 ( 0.211 0.264 0.021) 0.339 3.920 ( -0.033 -0.529 0.089) 0.537 4.005 ( -2.113 -4.179 0.231) 4.689 4.044 ( -2.684 -4.812 -0.235) 5.515 4.208 ( -4.510 -3.847 1.858) 6.212 4.241 ( -4.788 -3.485 -1.767) 6.180 ======================= Grid point 156 (49/121) ======================= q-point: ( 0.42 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -4.410 -4.178 0.386) 6.087 0.859 ( -4.230 -2.610 -0.694) 5.019 0.862 ( -1.810 -2.198 0.405) 2.876 0.884 ( -1.381 -0.989 -0.486) 1.766 1.008 ( -0.757 -1.944 0.043) 2.086 1.034 ( -0.859 -1.921 0.394) 2.141 1.037 ( 1.638 0.470 0.214) 1.718 1.122 ( -1.607 0.862 -0.440) 1.876 1.163 ( -2.501 -1.467 1.107) 3.104 1.252 ( -0.107 1.455 -1.346) 1.985 1.297 ( 0.251 1.476 0.409) 1.552 1.355 ( 1.021 -0.030 0.679) 1.226 1.366 ( 0.496 -1.843 -0.892) 2.107 1.423 ( 1.635 -4.260 0.141) 4.565 1.550 ( -2.217 1.079 0.184) 2.473 1.602 ( -2.050 -0.135 0.114) 2.058 1.808 ( -1.284 -2.390 0.337) 2.734 1.818 ( -1.160 -2.291 -0.419) 2.602 1.856 ( -0.974 -3.620 -0.207) 3.755 1.873 ( -1.058 -2.113 0.287) 2.381 2.006 ( -0.021 -1.785 0.007) 1.785 2.023 ( 0.256 -1.525 0.086) 1.549 2.101 ( 0.329 -1.067 -0.225) 1.139 2.109 ( 0.009 -1.641 -0.100) 1.644 2.398 ( -0.287 13.412 0.061) 13.415 2.438 ( -0.210 13.527 -0.031) 13.529 2.463 ( -0.007 15.189 -0.001) 15.189 2.495 ( 0.091 15.533 0.007) 15.533 3.352 ( -0.476 -0.235 -0.226) 0.577 3.360 ( -0.269 -0.368 0.298) 0.545 3.381 ( 0.114 1.317 -0.595) 1.450 3.384 ( 0.060 1.093 0.563) 1.231 3.532 ( 0.158 1.844 -0.211) 1.863 3.538 ( 0.289 2.383 0.154) 2.405 3.558 ( 0.325 1.951 -0.039) 1.978 3.563 ( -0.252 2.207 0.071) 2.222 3.667 ( 0.808 -0.639 0.153) 1.041 3.674 ( 0.469 -0.853 -0.077) 0.976 3.714 ( 0.534 1.402 0.019) 1.501 3.717 ( 0.583 2.042 -0.075) 2.125 3.860 ( 1.152 0.574 -0.014) 1.287 3.891 ( 1.490 0.210 0.082) 1.507 3.901 ( 0.493 -0.142 -0.145) 0.534 3.929 ( 0.322 -0.246 0.118) 0.422 4.069 ( -1.560 -2.615 -0.018) 3.045 4.098 ( -2.001 -1.863 -0.052) 2.734 4.231 ( -3.096 -1.052 -0.848) 3.377 4.250 ( -3.272 -0.559 0.864) 3.430 ======================= Grid point 157 (50/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.482 0.548 0.043) 0.731 0.865 ( -0.104 -0.293 -0.347) 0.465 0.883 ( -0.707 -0.277 0.029) 0.760 0.889 ( 0.035 0.125 -0.021) 0.132 1.018 ( 0.576 -0.631 0.616) 1.054 1.028 ( -0.216 0.546 -0.331) 0.674 1.041 ( -0.032 0.220 0.257) 0.340 1.114 ( 0.029 -0.160 -0.312) 0.351 1.191 ( 0.097 1.385 1.389) 1.964 1.223 ( -0.480 -1.507 -0.951) 1.845 1.287 ( -0.243 -1.204 -0.778) 1.454 1.322 ( 0.700 1.161 0.226) 1.375 1.445 ( 0.041 0.102 0.056) 0.124 1.490 ( -0.532 0.642 -0.089) 0.839 1.499 ( 0.335 -0.512 0.307) 0.685 1.580 ( 0.023 -0.149 0.119) 0.192 1.821 ( -0.199 0.248 0.632) 0.707 1.838 ( 0.252 -0.392 -0.988) 1.092 1.884 ( -0.214 0.584 0.641) 0.893 1.893 ( 0.175 -0.393 -0.284) 0.516 2.028 ( -0.009 -0.059 -0.144) 0.156 2.042 ( 0.064 0.081 0.258) 0.278 2.117 ( 0.031 0.021 -0.109) 0.115 2.132 ( -0.103 0.007 -0.242) 0.263 2.256 ( -0.013 -0.021 -0.014) 0.029 2.290 ( 0.092 -0.365 -0.089) 0.387 2.302 ( -0.087 0.332 0.186) 0.390 2.328 ( -0.002 -0.003 -0.023) 0.023 3.353 ( -0.116 -0.121 0.003) 0.168 3.362 ( 0.188 0.545 -0.160) 0.598 3.367 ( -0.019 -0.182 -0.007) 0.183 3.374 ( -0.050 -0.288 0.176) 0.341 3.514 ( 0.048 0.192 0.027) 0.200 3.518 ( -0.044 -0.151 -0.052) 0.166 3.540 ( -0.104 0.004 0.043) 0.113 3.543 ( 0.105 -0.018 -0.016) 0.108 3.681 ( 0.002 -0.024 0.012) 0.027 3.686 ( 0.007 0.020 -0.014) 0.025 3.695 ( 0.080 0.014 0.126) 0.150 3.701 ( -0.083 -0.004 -0.123) 0.149 3.858 ( 0.012 -0.010 -0.011) 0.019 3.890 ( -0.058 0.130 -0.198) 0.244 3.910 ( 0.120 -0.294 0.330) 0.458 3.930 ( -0.080 0.176 -0.097) 0.216 4.090 ( -0.018 -0.142 -0.278) 0.313 4.106 ( -0.053 0.229 0.231) 0.330 4.223 ( -0.093 0.360 -0.378) 0.530 4.248 ( 0.156 -0.437 0.393) 0.608 ======================= Grid point 158 (51/121) ======================= q-point: (-0.42 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 3.184 4.856 0.629) 5.841 0.843 ( 4.077 2.778 0.506) 4.960 0.871 ( 2.465 1.861 -0.378) 3.112 0.889 ( 1.668 0.372 -0.724) 1.856 1.011 ( 0.621 2.557 -0.251) 2.643 1.032 ( 1.592 1.583 0.609) 2.326 1.039 ( -1.630 -0.757 0.066) 1.799 1.122 ( 2.228 -0.548 -0.531) 2.355 1.159 ( 1.059 0.882 1.360) 1.937 1.260 ( 0.633 -1.167 -1.776) 2.218 1.309 ( -0.154 -0.517 -0.798) 0.963 1.342 ( -0.565 -1.725 1.425) 2.308 1.367 ( -0.780 2.859 -0.451) 2.998 1.420 ( -1.519 4.045 0.336) 4.334 1.549 ( 2.085 -0.876 0.258) 2.276 1.605 ( 1.916 0.049 -0.114) 1.920 1.804 ( 1.144 2.241 0.364) 2.542 1.826 ( 1.314 2.233 -0.887) 2.739 1.846 ( 1.092 3.776 0.677) 3.989 1.879 ( 1.025 2.128 -0.130) 2.366 2.009 ( 0.006 1.664 -0.195) 1.676 2.021 ( -0.213 1.671 0.265) 1.705 2.097 ( -0.157 1.421 0.056) 1.431 2.111 ( -0.273 1.283 -0.223) 1.330 2.401 ( 0.315 -13.431 -0.109) 13.435 2.435 ( 0.146 -13.420 0.182) 13.422 2.464 ( 0.017 -15.199 -0.065) 15.199 2.496 ( -0.082 -15.565 -0.004) 15.565 3.350 ( 0.377 0.405 -0.056) 0.556 3.362 ( 0.465 0.100 0.182) 0.509 3.375 ( -0.317 -0.982 0.082) 1.035 3.393 ( 0.076 -1.431 -0.311) 1.466 3.530 ( -0.214 -1.950 -0.011) 1.961 3.539 ( -0.291 -2.248 0.062) 2.267 3.558 ( -0.339 -1.987 0.011) 2.016 3.564 ( 0.307 -2.170 -0.023) 2.192 3.667 ( -0.583 0.794 0.135) 0.994 3.675 ( -0.659 0.667 -0.110) 0.944 3.713 ( -0.605 -1.405 0.072) 1.532 3.717 ( -0.531 -1.996 -0.063) 2.067 3.860 ( -1.149 -0.565 -0.021) 1.281 3.889 ( -1.261 -0.363 0.176) 1.324 3.906 ( -0.757 0.458 -0.413) 0.977 3.928 ( -0.281 0.018 0.261) 0.384 4.075 ( 1.542 2.165 -0.697) 2.748 4.089 ( 1.949 2.333 0.854) 3.158 4.210 ( 2.569 2.146 0.665) 3.413 4.273 ( 3.814 -0.444 -0.780) 3.918 ======================= Grid point 159 (52/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.181 7.428 1.886) 7.754 0.788 ( 4.335 5.828 0.418) 7.275 0.828 ( 2.234 4.230 -1.127) 4.915 0.870 ( 4.620 4.501 -1.303) 6.580 0.916 ( 1.287 7.536 -0.118) 7.646 0.950 ( 2.165 6.507 0.344) 6.866 1.044 ( -1.909 -0.262 -0.032) 1.927 1.147 ( 1.645 1.567 0.354) 2.299 1.168 ( 0.371 -0.525 0.329) 0.722 1.241 ( 0.516 2.063 0.704) 2.240 1.280 ( -0.147 4.664 -0.198) 4.670 1.311 ( 0.803 -1.868 -1.734) 2.672 1.390 ( -0.173 -1.954 0.244) 1.977 1.410 ( -0.536 -1.495 0.117) 1.592 1.531 ( 1.904 4.258 0.388) 4.681 1.569 ( 2.066 5.109 -0.140) 5.513 1.733 ( 1.532 6.430 0.214) 6.614 1.744 ( 1.781 6.547 0.053) 6.785 1.772 ( 0.417 4.428 0.097) 4.449 1.818 ( 0.301 4.334 -0.423) 4.364 1.972 ( -0.067 1.425 -0.014) 1.426 1.999 ( -0.300 0.306 0.016) 0.428 2.073 ( -0.407 0.722 0.556) 0.997 2.092 ( -0.375 0.159 -0.459) 0.614 2.738 ( 1.445 -18.550 -0.006) 18.607 2.775 ( 1.417 -18.669 0.018) 18.723 2.817 ( -0.977 -18.914 -0.003) 18.940 2.856 ( -0.810 -19.207 -0.015) 19.224 3.345 ( 0.240 0.330 0.099) 0.420 3.359 ( 0.264 0.420 -0.121) 0.511 3.399 ( -0.094 -1.482 0.472) 1.558 3.427 ( 0.214 -1.938 -0.675) 2.064 3.592 ( 0.055 -4.427 -0.007) 4.427 3.602 ( 0.405 -1.071 -0.074) 1.147 3.610 ( 0.318 -2.530 0.019) 2.550 3.620 ( 0.160 -4.212 -0.237) 4.222 3.652 ( -1.030 -0.804 0.584) 1.431 3.687 ( -1.656 -4.803 -0.387) 5.095 3.755 ( -0.639 -3.431 0.136) 3.493 3.771 ( -0.895 -4.004 -0.051) 4.103 3.853 ( -1.513 1.796 -0.196) 2.357 3.877 ( -1.868 1.250 -0.132) 2.252 3.897 ( -0.347 -0.525 0.058) 0.632 3.922 ( 0.117 0.634 -0.027) 0.645 4.015 ( 2.086 4.177 -0.982) 4.771 4.030 ( 2.856 5.317 1.290) 6.172 4.160 ( 3.472 5.152 2.605) 6.736 4.285 ( 5.585 2.363 -2.328) 6.495 ======================= Grid point 160 (53/121) ======================= q-point: (-0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -0.527 8.123 3.351) 8.803 0.662 ( 2.919 9.969 1.313) 10.470 0.703 ( 0.680 9.463 -1.772) 9.651 0.742 ( 0.857 7.707 -3.805) 8.637 0.754 ( 1.543 8.871 0.977) 9.057 0.838 ( 1.650 6.297 -0.749) 6.552 1.021 ( 0.802 2.436 0.372) 2.592 1.077 ( -0.085 4.416 2.046) 4.868 1.137 ( 0.401 3.680 0.261) 3.711 1.196 ( 1.082 3.856 -1.194) 4.179 1.270 ( 0.326 -2.340 -0.262) 2.377 1.338 ( 0.745 3.035 -1.337) 3.399 1.389 ( 0.005 2.873 0.545) 2.924 1.415 ( 0.563 3.579 0.044) 3.623 1.427 ( 0.247 3.018 0.104) 3.030 1.442 ( -0.244 5.383 0.165) 5.391 1.563 ( -0.636 10.823 0.874) 10.877 1.579 ( -0.167 11.199 -0.551) 11.214 1.668 ( 0.582 6.426 0.554) 6.476 1.723 ( 0.688 5.167 -0.631) 5.251 1.961 ( 0.330 -0.067 -0.021) 0.338 2.000 ( -0.155 -0.363 -0.072) 0.401 2.070 ( -0.168 -0.544 0.333) 0.659 2.099 ( -0.425 -1.078 -0.148) 1.168 3.085 ( 1.665 -14.085 -0.035) 14.183 3.123 ( 1.574 -14.321 0.126) 14.408 3.139 ( -0.971 -13.123 -0.081) 13.159 3.181 ( -0.843 -12.940 -0.120) 12.968 3.340 ( 0.056 0.270 0.063) 0.283 3.348 ( 0.033 0.724 -0.137) 0.738 3.430 ( 0.408 -1.209 0.740) 1.475 3.467 ( 0.335 -1.912 -0.877) 2.130 3.565 ( -0.442 5.033 0.458) 5.073 3.597 ( 0.131 2.323 -0.445) 2.369 3.668 ( 0.815 7.728 0.346) 7.779 3.702 ( 1.481 -0.570 0.092) 1.589 3.725 ( 0.066 -3.002 -0.507) 3.045 3.727 ( 1.516 9.567 -2.612) 10.033 3.752 ( -0.293 -4.051 0.215) 4.068 3.807 ( 0.392 -4.842 -1.669) 5.137 3.868 ( -0.620 -7.779 0.190) 7.806 3.888 ( 0.726 -0.535 1.758) 1.976 3.904 ( -0.003 -3.461 2.729) 4.407 3.941 ( -0.072 -4.789 0.005) 4.790 3.983 ( 0.294 -1.909 1.252) 2.302 4.000 ( -0.330 -1.923 -0.340) 1.981 4.088 ( 0.561 2.049 2.979) 3.659 4.233 ( 4.132 4.773 -4.124) 7.541 ======================= Grid point 161 (54/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -2.151 8.381 5.373) 10.185 0.440 ( 0.024 12.284 2.726) 12.582 0.493 ( 0.098 10.050 -3.576) 10.668 0.595 ( -0.375 7.037 -0.624) 7.075 0.619 ( -1.136 4.280 -2.797) 5.238 0.728 ( 0.164 4.516 -1.978) 4.933 0.928 ( 0.995 11.195 0.182) 11.241 0.965 ( -0.664 15.618 0.227) 15.634 0.998 ( -0.090 3.466 4.026) 5.313 1.129 ( 2.323 2.967 -2.308) 4.419 1.186 ( 1.003 5.393 -0.151) 5.488 1.254 ( 0.628 11.477 0.283) 11.498 1.283 ( -0.010 13.726 -0.358) 13.730 1.300 ( -1.266 4.204 -0.689) 4.444 1.336 ( -0.954 3.399 -0.089) 3.531 1.368 ( -0.589 3.397 0.353) 3.466 1.400 ( -0.734 4.381 0.182) 4.446 1.405 ( -1.280 1.425 -0.321) 1.942 1.555 ( 0.252 3.930 1.414) 4.184 1.639 ( 0.671 2.917 -0.726) 3.080 1.971 ( 0.311 -0.672 0.154) 0.756 2.010 ( 0.081 -0.823 -0.314) 0.885 2.090 ( 0.023 -1.383 0.115) 1.388 2.124 ( -0.537 -1.691 0.048) 1.775 3.136 ( -0.117 21.063 0.883) 21.082 3.181 ( 0.795 15.012 -1.566) 15.115 3.285 ( 1.683 5.246 0.480) 5.530 3.313 ( 1.599 -2.226 -0.430) 2.774 3.334 ( -0.168 -0.856 -0.080) 0.876 3.342 ( -0.267 -2.163 -0.480) 2.232 3.412 ( 0.668 -0.478 -0.041) 0.823 3.441 ( 2.046 0.846 -0.644) 2.306 3.470 ( -0.206 0.399 -0.136) 0.469 3.514 ( -0.022 -1.474 -1.177) 1.886 3.581 ( 1.834 3.511 1.092) 4.109 3.584 ( 1.103 0.432 0.122) 1.191 3.622 ( 1.261 7.742 5.317) 9.476 3.770 ( 5.824 4.336 -3.144) 7.912 3.856 ( 0.188 -5.165 -0.128) 5.170 3.868 ( 0.855 -3.402 -0.713) 3.579 3.942 ( 0.344 -3.862 2.514) 4.622 3.991 ( 2.724 -3.836 -0.524) 4.733 4.019 ( 1.569 -5.229 0.410) 5.475 4.040 ( 2.033 -2.811 0.082) 3.470 4.084 ( -3.093 -6.147 0.025) 6.881 4.113 ( -2.096 -10.141 1.377) 10.446 4.174 ( -3.528 -10.353 0.050) 10.938 4.193 ( -4.337 -3.841 -3.810) 6.934 ======================= Grid point 162 (55/121) ======================= q-point: (-0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( -2.726 8.137 4.187) 9.549 0.265 ( -2.741 6.332 6.100) 9.209 0.346 ( 1.650 4.334 -1.668) 4.928 0.475 ( -0.766 9.253 -2.541) 9.626 0.518 ( -2.305 14.489 0.465) 14.678 0.570 ( -1.981 14.502 0.948) 14.667 0.585 ( -2.877 8.320 -1.695) 8.965 0.698 ( -0.125 1.805 -3.861) 4.264 0.943 ( -0.246 13.720 0.500) 13.731 0.958 ( -0.069 13.726 0.315) 13.729 0.985 ( 0.460 3.175 3.916) 5.062 1.120 ( 2.112 -0.019 -1.972) 2.889 1.152 ( 0.545 0.834 -1.235) 1.586 1.232 ( 0.290 4.825 -0.122) 4.835 1.257 ( 1.041 6.526 0.167) 6.611 1.298 ( 0.278 1.054 0.379) 1.154 1.341 ( -2.052 -0.680 0.520) 2.224 1.402 ( -0.234 -0.643 -0.929) 1.154 1.526 ( -0.434 0.242 1.844) 1.910 1.614 ( -0.128 0.097 -0.876) 0.891 1.992 ( 0.108 -1.450 0.839) 1.679 2.035 ( 0.374 -1.860 -0.947) 2.121 2.123 ( 0.218 -1.958 -0.085) 1.972 2.155 ( -0.531 -1.692 0.278) 1.795 2.646 ( -0.255 23.513 0.663) 23.524 2.686 ( 0.066 26.387 -2.513) 26.507 2.928 ( 3.999 33.253 10.720) 35.166 3.221 ( 9.192 17.776 -11.883) 23.274 3.342 ( 0.415 0.204 0.484) 0.670 3.348 ( -0.725 0.552 -0.789) 1.205 3.429 ( 0.127 0.068 -0.051) 0.152 3.442 ( 0.065 0.751 -0.092) 0.760 3.498 ( 0.881 -0.960 0.898) 1.582 3.524 ( 0.261 1.230 0.944) 1.572 3.547 ( -0.000 -1.209 -0.334) 1.254 3.600 ( 3.299 0.869 -1.701) 3.812 3.617 ( 1.381 0.018 -1.007) 1.709 3.641 ( 0.907 5.305 -6.059) 8.104 3.937 ( -0.090 -2.796 -0.301) 2.814 3.943 ( 0.472 -3.132 -0.203) 3.174 4.009 ( 0.474 -2.221 1.867) 2.940 4.068 ( 2.571 -1.909 -0.893) 3.324 4.097 ( 0.243 -2.787 0.502) 2.843 4.118 ( 1.209 -3.213 0.041) 3.433 4.177 ( -5.342 -5.461 0.699) 7.671 4.258 ( -6.270 -6.356 -2.167) 9.187 4.306 ( -0.526 -7.726 2.524) 8.145 4.361 ( -1.326 -8.312 -0.997) 8.476 ======================= Grid point 164 (56/121) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.166 ( 13.649 0.000 -0.531) 13.659 0.197 ( 13.900 0.000 0.317) 13.903 0.231 ( 5.899 0.000 5.710) 8.210 0.303 ( 6.371 0.000 -1.657) 6.583 0.419 ( 6.503 0.000 6.904) 9.485 0.484 ( 0.893 0.000 -10.779) 10.816 0.554 ( 0.726 0.000 2.790) 2.883 0.689 ( 1.159 0.000 -1.833) 2.169 0.753 ( 0.202 0.000 0.729) 0.756 0.784 ( -0.025 -0.000 -0.685) 0.686 1.001 ( -1.735 -0.000 3.558) 3.959 1.121 ( -0.311 -0.000 0.021) 0.311 1.123 ( -1.125 -0.000 -3.132) 3.328 1.168 ( -0.495 -0.000 -0.008) 0.495 1.170 ( -4.152 -0.000 -0.042) 4.152 1.284 ( -2.705 -0.000 0.996) 2.882 1.363 ( 2.485 0.000 0.025) 2.485 1.430 ( 1.765 0.000 -0.527) 1.842 1.539 ( 0.510 0.000 1.460) 1.546 1.620 ( 0.880 0.000 -0.890) 1.252 2.062 ( -4.292 -0.000 2.274) 4.857 2.074 ( -2.755 -0.000 -0.844) 2.881 2.163 ( -0.855 -0.000 0.427) 0.955 2.200 ( -0.206 -0.000 -0.490) 0.532 2.345 ( 1.544 0.000 -0.078) 1.546 2.361 ( 1.080 0.000 0.138) 1.089 2.380 ( 1.707 0.000 0.122) 1.711 2.394 ( 1.300 0.000 -0.181) 1.313 3.338 ( 0.318 0.000 0.508) 0.599 3.352 ( 0.204 0.000 -0.959) 0.981 3.421 ( -0.703 -0.000 -0.013) 0.703 3.429 ( -0.409 -0.000 0.027) 0.410 3.493 ( 0.778 0.000 -0.050) 0.780 3.526 ( 0.628 0.000 0.418) 0.754 3.534 ( 0.516 0.000 0.041) 0.518 3.560 ( 0.589 0.000 -0.321) 0.670 3.621 ( -0.614 -0.000 -0.004) 0.614 3.642 ( -0.776 -0.000 -0.001) 0.776 3.959 ( -0.686 -0.000 0.120) 0.696 3.980 ( 0.094 0.000 -0.707) 0.713 4.035 ( -1.307 -0.000 0.787) 1.526 4.079 ( -0.719 -0.000 -1.037) 1.262 4.128 ( -0.801 -0.000 0.500) 0.944 4.148 ( -1.052 -0.000 0.125) 1.060 4.300 ( 5.160 0.000 -0.708) 5.208 4.345 ( 10.407 0.000 -2.184) 10.634 4.425 ( 0.870 0.000 1.198) 1.480 4.445 ( 1.332 0.000 -0.463) 1.410 ======================= Grid point 165 (57/121) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 4.489 -4.903 3.739) 7.627 0.318 ( 5.270 -4.837 -1.952) 7.415 0.434 ( 3.909 -3.757 2.840) 6.121 0.459 ( 2.517 -3.715 -6.826) 8.169 0.547 ( 1.062 -2.485 2.564) 3.725 0.604 ( 5.506 -15.320 0.366) 16.283 0.628 ( 5.444 -15.792 0.127) 16.705 0.688 ( 1.321 -1.845 -1.064) 2.506 0.943 ( -0.164 -13.439 0.589) 13.453 0.961 ( 0.334 -14.766 -0.038) 14.770 0.997 ( -1.936 -2.479 1.637) 3.546 1.097 ( -1.673 0.244 -3.052) 3.489 1.115 ( -2.406 -0.965 0.948) 2.761 1.218 ( -1.337 -3.794 0.399) 4.042 1.242 ( -1.218 -7.847 0.038) 7.941 1.292 ( -1.117 -3.357 0.507) 3.574 1.357 ( 2.369 1.340 0.168) 2.727 1.428 ( 2.064 0.468 -0.967) 2.327 1.538 ( 0.270 0.327 1.287) 1.355 1.616 ( 0.607 0.428 -0.817) 1.104 1.993 ( -0.483 1.641 0.371) 1.750 2.026 ( -0.477 1.180 -0.561) 1.391 2.128 ( 0.332 1.704 -0.739) 1.887 2.155 ( 0.225 1.772 0.932) 2.015 2.655 ( 0.375 -23.847 0.333) 23.853 2.674 ( 0.496 -24.314 -0.605) 24.326 2.924 ( -9.951 -32.390 7.740) 34.757 2.964 ( -12.450 -32.068 -7.829) 35.280 3.342 ( 0.286 -0.132 0.612) 0.688 3.350 ( 0.214 0.098 -0.640) 0.681 3.425 ( -0.565 -0.289 -0.161) 0.655 3.437 ( -0.445 -0.816 0.069) 0.932 3.495 ( -1.817 0.667 -1.056) 2.205 3.518 ( -0.180 1.095 0.548) 1.238 3.540 ( -1.301 -0.260 -0.009) 1.327 3.557 ( 0.184 0.225 0.380) 0.478 3.613 ( -0.022 0.199 0.266) 0.333 3.627 ( -0.316 0.603 -0.543) 0.871 3.925 ( -0.840 2.779 0.285) 2.917 3.947 ( -0.011 3.078 -0.597) 3.135 4.006 ( -1.619 2.090 0.417) 2.677 4.045 ( -0.822 2.751 -0.879) 3.002 4.084 ( -1.723 3.417 0.606) 3.875 4.103 ( -1.235 3.666 0.059) 3.869 4.268 ( 6.158 6.584 -0.162) 9.017 4.319 ( 6.940 7.164 0.962) 10.020 4.349 ( 2.370 7.750 -1.497) 8.241 4.384 ( 4.696 6.957 0.194) 8.396 ======================= Grid point 166 (58/121) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.103 -9.794 2.438) 10.093 0.478 ( 1.087 -8.978 -2.786) 9.463 0.537 ( 3.148 -5.030 0.052) 5.934 0.552 ( 2.231 -5.193 -1.256) 5.790 0.611 ( -0.792 -5.302 1.881) 5.681 0.713 ( -0.100 -3.506 -0.383) 3.528 0.920 ( -1.028 -8.857 -0.425) 8.927 0.971 ( 0.333 -12.536 0.503) 12.551 1.026 ( -0.522 -5.643 1.103) 5.773 1.092 ( -1.862 -2.331 -1.909) 3.542 1.167 ( -0.781 -7.007 0.591) 7.075 1.250 ( -0.444 -9.044 0.077) 9.055 1.271 ( -0.910 -10.864 0.170) 10.903 1.303 ( -0.118 -9.499 0.602) 9.519 1.341 ( 2.469 -1.643 0.004) 2.966 1.388 ( 1.281 -4.533 -0.215) 4.716 1.411 ( 0.850 -6.794 -0.078) 6.848 1.437 ( 2.440 -0.179 -0.683) 2.540 1.552 ( -1.165 -2.849 1.017) 3.241 1.627 ( -0.845 -2.617 -0.637) 2.823 1.968 ( -0.474 0.769 -0.127) 0.912 2.008 ( -0.073 0.557 -0.050) 0.564 2.098 ( 0.386 1.520 -0.484) 1.641 2.125 ( 0.406 1.578 0.592) 1.734 3.144 ( -0.600 -20.334 -0.067) 20.343 3.159 ( -0.478 -17.894 -0.014) 17.901 3.262 ( -2.766 -5.512 -0.274) 6.173 3.278 ( -3.305 -3.885 0.063) 5.101 3.336 ( 0.153 2.158 0.489) 2.218 3.338 ( 0.194 1.024 -0.108) 1.048 3.397 ( -0.715 1.086 0.356) 1.348 3.426 ( -0.891 0.886 0.047) 1.258 3.476 ( -2.203 -1.122 -1.329) 2.807 3.487 ( -1.446 -0.306 0.626) 1.605 3.559 ( -2.591 -3.168 0.015) 4.093 3.568 ( -1.471 -1.927 0.135) 2.428 3.646 ( -3.789 -5.665 -2.192) 7.160 3.652 ( -3.766 -6.125 2.388) 7.576 3.850 ( -0.548 4.291 0.216) 4.331 3.862 ( 0.067 5.216 -0.034) 5.217 3.947 ( -1.747 2.570 -0.413) 3.135 3.962 ( -1.189 4.138 -0.158) 4.309 4.000 ( -1.666 3.801 0.261) 4.158 4.013 ( -1.629 3.722 0.054) 4.064 4.127 ( 2.748 9.657 -0.053) 10.040 4.170 ( 3.231 10.874 -1.767) 11.481 4.193 ( 4.413 8.593 3.237) 10.188 4.247 ( 5.108 9.186 -1.511) 10.619 ======================= Grid point 167 (59/121) ======================= q-point: ( 0.33 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.406 -6.241 0.151) 6.690 0.642 ( -3.965 -7.634 -0.982) 8.658 0.675 ( 0.023 -6.910 2.238) 7.263 0.697 ( -0.196 -8.939 -2.294) 9.231 0.739 ( -1.987 -8.013 0.639) 8.280 0.802 ( -2.452 -5.859 0.553) 6.375 1.022 ( 0.182 -3.964 -0.321) 3.981 1.087 ( -1.593 -3.468 -0.205) 3.822 1.138 ( -0.606 -3.910 -0.264) 3.965 1.162 ( -1.294 -4.550 0.804) 4.798 1.268 ( 0.380 2.841 -0.117) 2.869 1.321 ( -0.879 -4.423 -0.342) 4.523 1.393 ( -0.120 -3.229 -0.242) 3.241 1.400 ( -0.821 -5.384 0.478) 5.467 1.431 ( 0.180 -1.542 -0.269) 1.575 1.454 ( 1.737 -1.004 0.355) 2.038 1.570 ( -0.965 -9.495 -0.397) 9.552 1.571 ( -0.395 -9.509 0.436) 9.527 1.661 ( -0.829 -6.976 0.195) 7.028 1.713 ( -0.570 -5.718 -0.341) 5.757 1.958 ( -0.332 -0.112 -0.150) 0.381 2.001 ( 0.174 0.184 0.065) 0.261 2.076 ( 0.346 0.712 0.241) 0.828 2.104 ( 0.502 0.909 -0.221) 1.062 3.063 ( -1.597 14.232 0.015) 14.322 3.105 ( -1.616 14.313 -0.118) 14.404 3.150 ( 0.871 12.768 -0.032) 12.797 3.188 ( 0.537 12.692 0.054) 12.704 3.340 ( -0.154 -0.411 -0.129) 0.457 3.345 ( -0.060 -0.465 0.175) 0.501 3.436 ( -0.379 0.742 -0.349) 0.903 3.448 ( -0.586 1.360 0.483) 1.558 3.575 ( 0.037 -2.961 -0.449) 2.995 3.589 ( 0.003 -3.337 0.539) 3.381 3.656 ( -1.666 -11.401 0.154) 11.523 3.675 ( -2.075 -3.692 -0.206) 4.240 3.703 ( -0.989 -7.637 -0.402) 7.711 3.712 ( -1.156 1.700 0.124) 2.060 3.764 ( 0.316 4.277 -0.532) 4.322 3.787 ( -0.286 1.841 0.942) 2.088 3.864 ( 0.346 4.724 0.727) 4.792 3.898 ( 0.260 4.247 -0.405) 4.274 3.926 ( -0.484 1.796 -0.806) 2.027 3.940 ( 0.140 3.103 0.420) 3.135 3.989 ( -0.717 3.200 0.339) 3.297 4.009 ( 0.430 4.663 -1.521) 4.924 4.109 ( -2.692 -0.256 2.562) 3.725 4.134 ( -2.318 0.490 -1.562) 2.838 ======================= Grid point 168 (60/121) ======================= q-point: ( 0.42 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -5.960 -5.985 0.054) 8.446 0.732 ( -6.377 -5.492 -0.216) 8.419 0.786 ( -2.172 -4.613 0.331) 5.109 0.824 ( -1.602 -4.498 -0.746) 4.833 0.893 ( -1.960 -7.596 0.348) 7.852 0.916 ( -2.736 -7.337 0.392) 7.841 1.058 ( -0.580 0.214 0.140) 0.634 1.138 ( -2.426 -0.779 -0.057) 2.548 1.153 ( 1.072 1.088 -0.044) 1.528 1.243 ( -0.666 -3.330 0.152) 3.399 1.281 ( 0.344 -5.627 0.018) 5.638 1.305 ( 1.489 2.628 -0.668) 3.094 1.393 ( -0.084 1.690 -0.167) 1.700 1.419 ( 1.088 1.663 0.318) 2.013 1.509 ( -2.041 -3.957 0.300) 4.462 1.541 ( -2.040 -4.579 0.041) 5.013 1.708 ( -2.377 -6.345 0.055) 6.776 1.720 ( -1.991 -6.285 -0.013) 6.593 1.767 ( -1.056 -4.398 -0.262) 4.531 1.809 ( -0.808 -3.820 0.110) 3.906 1.973 ( 0.163 -1.500 0.042) 1.509 2.004 ( 0.416 -0.452 -0.039) 0.616 2.081 ( 0.514 -0.851 0.503) 1.115 2.096 ( 0.371 0.050 -0.616) 0.721 2.724 ( -0.667 18.170 0.122) 18.182 2.764 ( -0.630 18.221 -0.219) 18.234 2.824 ( 0.126 19.268 0.010) 19.269 2.860 ( -0.027 19.348 0.074) 19.348 3.343 ( -0.383 -0.229 -0.275) 0.524 3.352 ( -0.276 -0.332 0.306) 0.529 3.409 ( -0.015 1.449 -0.500) 1.533 3.413 ( -0.155 1.715 0.603) 1.824 3.593 ( -0.025 2.883 -0.075) 2.884 3.597 ( -0.179 2.309 -0.051) 2.317 3.604 ( -0.450 1.471 0.126) 1.543 3.619 ( 0.198 3.991 -0.048) 3.996 3.677 ( 1.881 2.201 -0.357) 2.917 3.703 ( 2.074 4.354 0.542) 4.853 3.765 ( 1.022 2.977 -0.029) 3.148 3.785 ( 1.366 3.743 -0.083) 3.986 3.872 ( 1.498 -2.247 -0.170) 2.706 3.897 ( 1.002 -1.736 0.030) 2.005 3.901 ( 0.815 0.331 0.125) 0.888 3.920 ( 0.092 -0.489 0.056) 0.501 3.978 ( -2.403 -3.608 0.499) 4.364 4.005 ( -3.268 -4.728 -0.710) 5.791 4.145 ( -5.450 -4.541 -1.647) 7.283 4.175 ( -6.054 -4.377 1.708) 7.663 ======================= Grid point 169 (61/121) ======================= q-point: ( 0.50 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.667 -5.749 0.105) 8.073 0.795 ( -5.473 -5.032 -0.340) 7.442 0.846 ( -1.322 -2.699 0.093) 3.006 0.870 ( -1.031 -1.646 0.025) 1.942 0.998 ( -0.811 -3.393 0.272) 3.499 1.019 ( -1.424 -2.549 -0.382) 2.944 1.042 ( -1.532 -0.943 0.004) 1.799 1.100 ( -1.821 1.030 -0.041) 2.093 1.146 ( 0.248 -0.519 0.736) 0.934 1.258 ( 1.622 2.347 -0.600) 2.915 1.305 ( 0.695 1.200 0.463) 1.462 1.369 ( 1.065 1.569 -0.658) 2.007 1.372 ( 0.766 -4.874 0.225) 4.939 1.440 ( 1.226 -4.322 -0.262) 4.500 1.520 ( -2.697 1.088 0.290) 2.922 1.576 ( -2.182 -0.459 0.265) 2.245 1.794 ( -1.255 -3.280 0.409) 3.536 1.802 ( -1.107 -3.091 -0.574) 3.333 1.842 ( -1.108 -3.998 -0.160) 4.152 1.860 ( -1.258 -2.353 0.209) 2.676 2.007 ( 0.140 -1.568 0.106) 1.578 2.026 ( 0.205 -1.401 -0.034) 1.417 2.103 ( 0.205 -0.765 -0.447) 0.909 2.110 ( 0.137 -1.440 0.221) 1.463 2.398 ( 0.078 13.129 0.109) 13.130 2.438 ( 0.211 13.054 -0.097) 13.056 2.458 ( -0.728 15.446 0.036) 15.464 2.492 ( -0.596 15.679 0.008) 15.690 3.345 ( -0.482 -0.288 -0.106) 0.572 3.357 ( -0.407 -0.367 0.074) 0.553 3.382 ( 0.240 1.163 -0.348) 1.238 3.386 ( 0.004 1.035 0.465) 1.135 3.536 ( 0.661 2.060 -0.142) 2.168 3.543 ( 0.438 2.311 0.120) 2.355 3.561 ( 0.076 1.980 0.029) 1.982 3.565 ( 0.522 1.999 -0.052) 2.067 3.679 ( 1.095 -0.102 -0.251) 1.128 3.683 ( 1.083 -0.153 0.305) 1.135 3.720 ( 0.492 1.802 -0.057) 1.869 3.725 ( 0.672 2.555 -0.008) 2.642 3.876 ( 1.371 1.078 -0.020) 1.745 3.903 ( -0.126 0.077 -0.086) 0.171 3.910 ( 1.204 0.645 0.124) 1.372 3.929 ( -0.384 -0.221 0.019) 0.443 4.051 ( -1.387 -3.475 0.232) 3.748 4.071 ( -2.133 -3.079 -0.402) 3.767 4.189 ( -2.894 -2.871 -0.959) 4.187 4.211 ( -3.671 -2.467 1.079) 4.552 ======================= Grid point 170 (62/121) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.417 -4.296 -0.303) 4.533 0.860 ( -0.427 -2.730 -0.242) 2.773 0.882 ( 0.095 -1.391 0.813) 1.614 0.891 ( 0.246 -0.675 -0.022) 0.719 1.022 ( -0.125 -0.041 -0.533) 0.549 1.030 ( 0.578 -0.140 0.239) 0.641 1.041 ( -0.055 0.293 0.164) 0.340 1.104 ( -1.361 -1.638 -0.140) 2.134 1.198 ( 0.372 -2.442 0.798) 2.596 1.225 ( 1.070 0.925 -0.279) 1.441 1.292 ( 1.367 -0.218 -0.202) 1.399 1.338 ( 1.751 1.574 -0.591) 2.427 1.428 ( -2.285 2.761 -0.005) 3.584 1.477 ( -1.987 1.883 0.322) 2.756 1.507 ( 0.920 -3.638 0.042) 3.752 1.586 ( 0.769 -2.188 0.048) 2.320 1.824 ( 0.174 -0.410 0.613) 0.758 1.838 ( 0.183 -1.053 -0.805) 1.338 1.885 ( 0.038 -0.422 0.464) 0.628 1.894 ( 0.147 -1.195 -0.286) 1.237 2.029 ( 0.203 -0.104 -0.100) 0.249 2.043 ( 0.042 0.140 0.083) 0.168 2.117 ( 0.025 -0.113 -0.106) 0.157 2.130 ( -0.088 0.075 0.015) 0.116 2.256 ( -0.010 0.121 0.009) 0.122 2.289 ( -0.328 -0.265 -0.203) 0.468 2.299 ( -0.417 0.132 0.246) 0.502 2.324 ( -0.674 -0.426 -0.008) 0.797 3.351 ( -0.177 -0.607 0.110) 0.642 3.364 ( 0.114 0.014 -0.310) 0.331 3.367 ( 0.097 0.006 0.052) 0.110 3.374 ( 0.023 0.121 0.150) 0.194 3.517 ( 0.395 0.298 -0.086) 0.503 3.519 ( 0.305 0.386 0.079) 0.498 3.539 ( 0.020 0.240 0.034) 0.243 3.549 ( 0.710 0.117 -0.030) 0.720 3.683 ( 0.259 0.749 0.008) 0.793 3.687 ( 0.205 0.428 -0.025) 0.475 3.696 ( 0.036 0.183 -0.067) 0.198 3.700 ( -0.009 0.255 0.077) 0.267 3.859 ( 0.187 0.903 -0.026) 0.923 3.888 ( -0.160 0.912 -0.026) 0.926 3.905 ( -0.917 0.052 0.017) 0.919 3.923 ( -0.921 0.116 0.051) 0.930 4.089 ( 0.024 -0.915 -0.147) 0.927 4.106 ( -0.046 -1.235 0.229) 1.257 4.224 ( 0.269 -1.544 -0.069) 1.569 4.252 ( 0.256 -2.671 -0.014) 2.684 ======================= Grid point 171 (63/121) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.443 3.889 1.074) 4.058 0.889 ( 1.150 1.938 -0.581) 2.328 0.896 ( 3.101 1.484 0.600) 3.490 0.920 ( 2.976 -1.538 -0.534) 3.392 1.008 ( -0.944 -0.144 -0.393) 1.033 1.026 ( 0.098 1.473 0.142) 1.483 1.050 ( 0.855 1.295 -0.090) 1.554 1.135 ( 0.088 -2.106 -0.238) 2.121 1.179 ( 1.354 1.785 1.313) 2.596 1.270 ( 1.616 -1.256 -1.494) 2.534 1.309 ( 0.819 0.608 -0.830) 1.315 1.346 ( -0.273 -0.781 1.331) 1.567 1.354 ( -0.479 1.243 -0.698) 1.504 1.400 ( -1.874 2.651 0.300) 3.260 1.570 ( 1.317 -1.067 0.194) 1.706 1.625 ( 1.374 -0.250 -0.056) 1.398 1.820 ( 1.098 1.683 0.368) 2.043 1.835 ( 0.539 1.716 -0.511) 1.870 1.862 ( 1.001 3.521 0.322) 3.675 1.888 ( 0.567 2.157 -0.188) 2.238 2.009 ( 0.121 1.897 -0.226) 1.914 2.020 ( -0.084 1.814 0.197) 1.826 2.096 ( -0.122 1.661 0.101) 1.668 2.107 ( -0.171 1.461 -0.012) 1.471 2.407 ( 0.880 -14.078 -0.174) 14.107 2.441 ( 0.762 -14.016 0.275) 14.039 2.458 ( -0.957 -15.082 -0.110) 15.113 2.489 ( -0.955 -15.452 -0.008) 15.482 3.354 ( 0.301 0.420 0.088) 0.524 3.366 ( 0.204 0.225 -0.113) 0.324 3.372 ( -0.130 -1.186 0.368) 1.249 3.392 ( 0.038 -1.484 -0.509) 1.570 3.530 ( 0.259 -1.693 0.112) 1.716 3.536 ( -0.131 -2.199 0.011) 2.203 3.555 ( -0.171 -2.030 0.029) 2.037 3.570 ( 0.546 -2.034 -0.069) 2.107 3.661 ( -0.356 1.086 -0.052) 1.144 3.670 ( -0.182 1.152 0.001) 1.166 3.707 ( -0.444 -1.171 0.168) 1.264 3.711 ( -0.427 -1.529 -0.104) 1.591 3.850 ( -0.598 0.038 -0.005) 0.599 3.876 ( -0.923 0.093 0.083) 0.931 3.893 ( -0.947 0.242 -0.245) 1.008 3.922 ( -0.700 -0.312 0.128) 0.777 4.090 ( 1.196 1.479 -0.579) 1.988 4.113 ( 1.365 1.270 0.897) 2.069 4.242 ( 1.911 0.875 1.303) 2.473 4.308 ( 2.600 -1.861 -1.488) 3.526 ======================= Grid point 172 (64/121) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.245 7.455 2.631) 7.909 0.819 ( 1.449 5.420 -1.646) 5.847 0.847 ( 1.095 5.010 0.158) 5.131 0.907 ( 1.969 5.648 -1.806) 6.249 0.936 ( 1.800 7.050 0.330) 7.283 0.971 ( 1.056 6.145 0.127) 6.237 1.031 ( -0.090 -0.838 0.091) 0.848 1.163 ( 0.466 2.221 0.560) 2.337 1.168 ( -0.368 -0.384 0.522) 0.745 1.253 ( 0.661 1.258 0.709) 1.588 1.273 ( -0.689 3.811 -0.710) 3.937 1.321 ( 1.578 -1.472 -1.674) 2.731 1.391 ( -0.095 -1.394 0.590) 1.517 1.404 ( -0.358 -1.414 -0.228) 1.476 1.552 ( 1.237 4.191 0.281) 4.379 1.593 ( 1.643 4.962 0.085) 5.228 1.746 ( 0.314 7.252 0.452) 7.273 1.760 ( 0.737 6.946 -0.192) 6.987 1.776 ( 0.230 4.279 0.365) 4.301 1.819 ( 0.256 4.461 -0.739) 4.529 1.972 ( -0.007 1.236 -0.017) 1.236 1.997 ( -0.108 0.392 0.027) 0.407 2.070 ( -0.398 0.617 0.264) 0.780 2.088 ( -0.033 0.256 -0.060) 0.265 2.758 ( 1.718 -18.785 -0.097) 18.863 2.792 ( 0.784 -18.866 -0.046) 18.882 2.804 ( -0.629 -18.877 0.127) 18.888 2.843 ( -1.221 -19.183 -0.022) 19.222 3.348 ( 0.164 0.398 0.248) 0.496 3.360 ( 0.047 0.474 -0.305) 0.565 3.401 ( -0.025 -1.597 0.658) 1.728 3.425 ( 0.100 -1.974 -0.901) 2.172 3.595 ( 0.313 -4.597 0.071) 4.608 3.607 ( 0.298 -2.583 0.066) 2.601 3.612 ( 0.048 -1.758 -0.033) 1.759 3.622 ( 0.188 -4.035 -0.169) 4.043 3.644 ( -0.608 0.135 0.333) 0.706 3.671 ( -0.739 -4.818 -0.396) 4.890 3.750 ( -0.380 -3.758 0.154) 3.781 3.762 ( -0.477 -4.238 -0.033) 4.265 3.837 ( -0.876 1.780 -0.142) 1.989 3.857 ( -1.223 1.564 -0.177) 1.993 3.894 ( -0.160 -0.720 0.134) 0.750 3.922 ( 0.009 0.239 -0.140) 0.277 4.031 ( 1.103 4.499 -0.836) 4.707 4.063 ( 1.649 5.023 1.013) 5.383 4.207 ( 1.971 4.522 3.930) 6.307 4.328 ( 3.118 1.769 -3.418) 4.953 ======================= Grid point 173 (65/121) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.131 8.569 4.383) 9.626 0.685 ( 0.051 9.295 -0.819) 9.331 0.702 ( 0.653 10.369 -0.514) 10.402 0.734 ( 0.547 9.268 -3.415) 9.892 0.771 ( 0.576 9.627 0.355) 9.651 0.848 ( 0.479 6.958 -0.861) 7.027 1.033 ( 0.567 0.967 0.060) 1.122 1.084 ( -0.082 4.741 2.834) 5.525 1.143 ( 0.339 3.348 0.491) 3.401 1.196 ( 0.037 3.389 -2.054) 3.963 1.273 ( 0.170 -1.475 -0.196) 1.497 1.341 ( 0.522 2.366 -1.178) 2.694 1.391 ( -0.056 2.442 0.703) 2.542 1.412 ( -0.434 1.091 -0.472) 1.266 1.433 ( 0.400 4.770 0.375) 4.801 1.450 ( 0.701 9.093 0.208) 9.122 1.556 ( -0.833 11.493 1.023) 11.568 1.575 ( -0.065 11.710 -0.665) 11.729 1.675 ( 0.143 6.256 0.703) 6.297 1.727 ( 0.403 4.876 -0.722) 4.945 1.964 ( 0.174 -0.185 0.028) 0.255 1.998 ( -0.079 -0.410 -0.103) 0.430 2.070 ( -0.092 -0.669 0.186) 0.700 2.095 ( -0.122 -0.917 -0.010) 0.925 3.101 ( 0.916 -13.752 -0.041) 13.783 3.124 ( -0.656 -13.819 -0.170) 13.836 3.143 ( 0.859 -13.762 0.203) 13.790 3.171 ( -0.547 -13.360 -0.111) 13.372 3.341 ( 0.065 0.400 0.174) 0.441 3.348 ( -0.038 0.711 -0.207) 0.741 3.436 ( 0.130 -1.741 0.798) 1.919 3.466 ( 0.134 -2.133 -1.010) 2.364 3.563 ( -0.119 5.306 0.865) 5.377 3.593 ( -0.156 2.936 -1.052) 3.123 3.676 ( 0.228 8.053 0.378) 8.065 3.715 ( 0.407 0.772 0.084) 0.877 3.723 ( 0.037 -5.153 -0.017) 5.153 3.731 ( 0.962 8.026 -3.028) 8.631 3.749 ( -0.278 -5.902 0.325) 5.917 3.802 ( -0.086 -6.156 -1.584) 6.357 3.865 ( -0.410 -8.000 0.916) 8.062 3.896 ( 0.435 -4.848 -0.215) 4.872 3.918 ( 0.100 -3.418 3.026) 4.566 3.940 ( -0.075 -5.527 -0.131) 5.529 3.989 ( -0.187 -0.874 0.859) 1.240 3.999 ( 0.296 0.501 0.515) 0.777 4.110 ( 0.212 5.908 5.040) 7.769 4.251 ( 1.763 6.399 -5.636) 8.708 ======================= Grid point 174 (66/121) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.116 9.547 5.419) 10.979 0.445 ( -0.743 12.324 2.964) 12.697 0.488 ( 1.060 9.850 -2.663) 10.258 0.577 ( 0.105 6.384 -6.387) 9.031 0.610 ( -0.515 6.204 1.736) 6.463 0.721 ( -0.031 5.001 -1.781) 5.309 0.934 ( -0.006 12.820 0.040) 12.821 0.962 ( -0.064 16.336 0.246) 16.338 1.015 ( -0.019 2.718 4.096) 4.916 1.137 ( 0.570 1.833 -3.040) 3.596 1.191 ( -0.370 5.329 0.107) 5.343 1.262 ( 0.269 14.531 0.553) 14.544 1.279 ( 0.459 10.453 -0.691) 10.486 1.287 ( -0.676 6.240 -0.882) 6.338 1.326 ( -1.006 1.637 1.125) 2.226 1.371 ( 0.360 4.045 0.318) 4.074 1.391 ( 0.377 0.709 -0.717) 1.077 1.401 ( 0.211 4.772 -0.101) 4.778 1.561 ( -0.250 4.016 1.333) 4.239 1.641 ( 0.148 3.127 -0.665) 3.200 1.974 ( 0.033 -0.693 0.175) 0.716 2.010 ( 0.019 -0.871 -0.319) 0.928 2.092 ( 0.200 -1.449 -0.028) 1.463 2.120 ( -0.226 -1.582 0.161) 1.606 3.141 ( 0.073 20.733 1.357) 20.777 3.178 ( -0.069 16.490 -2.062) 16.618 3.299 ( 0.099 1.629 0.523) 1.713 3.323 ( 0.280 -2.576 -0.113) 2.593 3.332 ( -0.011 -0.811 -0.098) 0.817 3.336 ( -0.302 -1.667 -0.563) 1.785 3.411 ( -0.497 -0.628 -0.108) 0.808 3.448 ( -0.295 1.831 -1.592) 2.444 3.475 ( 1.019 -1.476 0.474) 1.855 3.508 ( -0.257 -2.205 -0.675) 2.320 3.590 ( -0.054 0.066 0.029) 0.090 3.593 ( 0.039 0.689 -0.000) 0.690 3.666 ( 0.418 11.193 8.140) 13.846 3.787 ( -0.642 2.770 -4.801) 5.580 3.858 ( 0.141 -5.168 -0.110) 5.171 3.866 ( -0.509 -3.423 -1.328) 3.706 3.965 ( 0.266 -3.792 4.084) 5.579 4.019 ( 0.092 -3.885 -0.517) 3.920 4.034 ( 1.428 -5.202 0.746) 5.446 4.045 ( -0.489 -4.575 0.985) 4.706 4.072 ( 0.171 -4.582 -0.240) 4.591 4.098 ( -1.462 -4.885 -0.184) 5.103 4.136 ( -0.644 -7.386 -2.336) 7.774 4.152 ( 1.226 -7.800 -2.220) 8.202 ======================= Grid point 177 (67/121) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 5.155 0.000 2.205) 5.607 0.326 ( 12.280 0.000 0.179) 12.281 0.355 ( 11.735 0.000 -0.215) 11.737 0.381 ( 6.452 0.000 -3.881) 7.529 0.481 ( 4.540 0.000 -6.030) 7.548 0.528 ( 6.970 0.000 4.474) 8.283 0.586 ( 2.902 0.000 3.371) 4.448 0.700 ( 1.440 0.000 -1.202) 1.875 0.761 ( 0.788 0.000 0.439) 0.902 0.782 ( 0.276 0.000 -0.412) 0.496 0.977 ( -4.032 -0.000 1.548) 4.319 1.091 ( -2.438 -0.000 -2.483) 3.480 1.115 ( -0.670 -0.000 0.007) 0.670 1.123 ( -2.692 -0.000 0.356) 2.715 1.159 ( -0.999 -0.000 0.002) 0.999 1.253 ( -2.682 -0.000 1.505) 3.075 1.388 ( 1.756 0.000 -0.466) 1.817 1.449 ( 1.546 0.000 -0.365) 1.589 1.552 ( 0.731 0.000 0.951) 1.200 1.630 ( 1.041 0.000 -0.781) 1.301 2.028 ( -2.544 -0.000 1.056) 2.754 2.039 ( -1.890 -0.000 -0.752) 2.034 2.156 ( -0.509 -0.000 -0.228) 0.558 2.195 ( -0.359 -0.000 0.189) 0.405 2.368 ( 2.106 0.000 -0.174) 2.113 2.382 ( 2.458 0.000 0.074) 2.459 2.409 ( 2.644 0.000 0.029) 2.644 2.419 ( 2.845 0.000 0.070) 2.846 3.345 ( 0.460 0.000 0.599) 0.755 3.352 ( 0.332 0.000 -0.756) 0.826 3.411 ( -0.864 -0.000 -0.046) 0.865 3.423 ( -0.562 -0.000 0.073) 0.567 3.502 ( 0.462 0.000 -0.096) 0.472 3.534 ( 0.370 0.000 0.174) 0.409 3.541 ( 0.390 0.000 0.084) 0.399 3.565 ( 0.222 0.000 -0.075) 0.234 3.612 ( -0.681 -0.000 -0.019) 0.681 3.630 ( -1.080 -0.000 0.003) 1.080 3.948 ( -1.325 -0.000 0.270) 1.352 3.974 ( -0.426 -0.000 -0.925) 1.018 4.022 ( -1.337 -0.000 1.074) 1.715 4.066 ( -0.809 -0.000 -1.225) 1.468 4.115 ( -1.194 -0.000 0.589) 1.331 4.138 ( -0.767 -0.000 0.026) 0.767 4.379 ( 6.039 0.000 0.488) 6.059 4.439 ( 3.612 0.000 -0.033) 3.612 4.443 ( 4.514 0.000 -1.033) 4.631 4.488 ( 5.864 0.000 0.151) 5.866 ======================= Grid point 178 (68/121) ======================= q-point: ( 0.25 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 4.820 -2.065 0.300) 5.252 0.387 ( 6.004 -1.665 -1.110) 6.329 0.469 ( 4.598 -2.870 -5.668) 7.843 0.509 ( 4.934 -3.002 2.856) 6.443 0.572 ( 1.442 -0.887 3.329) 3.735 0.675 ( 5.293 -10.643 0.122) 11.887 0.681 ( 2.627 -6.792 -1.382) 7.412 0.717 ( 4.053 -8.158 0.562) 9.126 0.936 ( -2.164 -7.018 1.074) 7.422 0.966 ( 0.559 -14.137 0.081) 14.148 0.976 ( -0.916 -9.926 -0.280) 9.973 1.058 ( -2.822 -0.288 -2.106) 3.533 1.100 ( -0.530 -1.255 0.635) 1.503 1.207 ( -0.738 -3.566 1.070) 3.795 1.229 ( -0.891 -8.467 0.043) 8.514 1.282 ( -0.737 -5.098 0.458) 5.172 1.384 ( 1.913 1.105 -0.264) 2.225 1.447 ( 1.560 0.480 -0.717) 1.783 1.545 ( 0.195 0.834 0.653) 1.077 1.620 ( 0.303 1.066 -0.393) 1.176 1.987 ( -0.555 1.473 -0.107) 1.578 2.018 ( -0.503 0.654 -0.086) 0.829 2.129 ( 0.265 1.472 -0.967) 1.781 2.163 ( 0.377 1.726 1.090) 2.076 2.661 ( 0.562 -22.824 0.140) 22.832 2.682 ( 0.856 -23.193 0.020) 23.209 2.816 ( -6.973 -29.435 -2.779) 30.377 2.840 ( -7.472 -29.760 2.732) 30.805 3.348 ( 0.293 0.108 0.187) 0.364 3.352 ( 0.370 0.034 -0.139) 0.397 3.416 ( -0.711 -0.606 -0.067) 0.937 3.431 ( -0.548 -0.857 0.077) 1.020 3.474 ( -1.286 2.805 -0.437) 3.116 3.512 ( -1.181 2.879 0.323) 3.129 3.532 ( -0.085 0.422 -0.058) 0.434 3.559 ( -0.026 0.538 0.207) 0.577 3.612 ( -0.258 -0.147 -0.080) 0.308 3.620 ( -0.624 0.551 -0.019) 0.832 3.914 ( -1.258 2.489 0.363) 2.813 3.942 ( -0.358 2.740 -0.863) 2.895 3.989 ( -1.474 2.476 0.912) 3.022 4.031 ( -0.843 2.573 -1.117) 2.929 4.068 ( -1.009 3.888 0.699) 4.077 4.091 ( -0.628 3.927 -0.093) 3.978 4.330 ( 3.447 7.545 -0.061) 8.295 4.380 ( 3.673 7.473 -2.159) 8.602 4.399 ( 5.452 7.122 2.860) 9.414 4.456 ( 6.550 7.009 -0.684) 9.618 ======================= Grid point 179 (69/121) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.247 -7.145 -0.179) 7.151 0.483 ( 1.082 -5.281 -0.467) 5.411 0.559 ( 3.791 -4.673 -5.697) 8.286 0.595 ( 1.216 -3.532 2.001) 4.238 0.614 ( 0.713 -3.448 4.383) 5.622 0.708 ( -0.484 -2.157 -0.070) 2.212 0.904 ( -1.045 -7.168 -0.824) 7.290 0.975 ( -0.164 -9.589 1.017) 9.644 1.022 ( -0.433 -6.842 -0.445) 6.870 1.063 ( -1.945 -3.561 -1.040) 4.189 1.166 ( 0.194 -6.855 0.565) 6.881 1.250 ( 0.242 -8.176 0.114) 8.180 1.261 ( -0.782 -8.992 0.559) 9.043 1.303 ( -0.195 -10.276 0.617) 10.296 1.370 ( 2.131 -1.781 -0.106) 2.780 1.403 ( 1.237 -5.577 -0.314) 5.721 1.422 ( 1.023 -6.911 -0.111) 6.987 1.461 ( 1.629 -1.643 -0.820) 2.454 1.541 ( -1.083 -1.650 0.846) 2.147 1.613 ( -0.974 -1.882 -0.320) 2.143 1.961 ( -0.492 0.779 -0.218) 0.947 2.006 ( -0.135 0.357 0.063) 0.387 2.100 ( 0.331 1.414 -0.718) 1.620 2.134 ( 0.531 1.673 0.748) 1.908 3.132 ( -1.485 -18.892 -0.319) 18.953 3.152 ( -0.618 -17.948 0.262) 17.961 3.227 ( -2.605 -13.067 -0.129) 13.325 3.235 ( -3.738 -8.487 0.226) 9.276 3.338 ( 0.037 1.409 -0.223) 1.427 3.342 ( 0.304 2.209 1.004) 2.446 3.383 ( -1.416 1.228 -1.093) 2.170 3.414 ( -1.221 1.307 -0.022) 1.789 3.435 ( -2.826 -2.706 -0.348) 3.928 3.461 ( -3.116 -2.418 0.822) 4.028 3.533 ( -1.391 -2.179 -0.030) 2.586 3.555 ( -0.749 -1.008 0.166) 1.266 3.609 ( -1.545 -1.511 -1.121) 2.435 3.621 ( -2.296 -2.573 0.888) 3.561 3.843 ( -0.714 4.043 0.204) 4.110 3.861 ( -0.112 5.035 -0.208) 5.041 3.928 ( -1.162 2.502 -0.020) 2.759 3.953 ( -0.342 4.537 -0.329) 4.562 3.984 ( -1.056 3.092 0.318) 3.282 3.999 ( -0.600 4.204 -0.066) 4.247 4.156 ( 2.098 10.818 -0.044) 11.019 4.201 ( 2.940 11.518 -1.596) 11.994 4.255 ( 3.658 10.339 2.605) 11.272 4.301 ( 4.413 11.211 -0.926) 12.084 ======================= Grid point 180 (70/121) ======================= q-point: ( 0.42 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -3.606 -3.801 0.520) 5.265 0.580 ( -4.621 -6.217 -1.401) 7.872 0.673 ( -1.823 -5.249 0.538) 5.582 0.692 ( 0.812 -6.898 -2.223) 7.293 0.731 ( 0.063 -6.992 2.206) 7.332 0.771 ( -2.754 -5.171 0.438) 5.875 1.022 ( -0.213 -4.729 -0.393) 4.750 1.062 ( -1.842 -3.257 -0.846) 3.836 1.127 ( -1.399 -3.225 0.428) 3.542 1.149 ( -1.011 -5.587 0.345) 5.688 1.281 ( 1.796 2.773 0.096) 3.305 1.311 ( -0.777 -5.184 0.463) 5.263 1.381 ( -1.331 -5.881 -0.309) 6.038 1.402 ( 0.683 -1.889 0.077) 2.011 1.438 ( 0.837 -0.699 -0.383) 1.155 1.481 ( 2.157 0.421 0.650) 2.292 1.549 ( -1.574 -7.853 -0.770) 8.046 1.565 ( -1.008 -8.266 0.533) 8.344 1.650 ( -1.130 -7.104 -0.063) 7.193 1.703 ( -1.094 -6.319 -0.056) 6.413 1.954 ( -0.223 -0.398 -0.134) 0.475 2.003 ( 0.123 -0.006 0.096) 0.156 2.081 ( 0.357 0.476 -0.160) 0.616 2.110 ( 0.630 1.119 0.107) 1.289 3.048 ( -0.839 13.811 0.002) 13.837 3.089 ( -0.821 14.068 -0.227) 14.094 3.155 ( -0.114 12.730 -0.088) 12.731 3.191 ( -0.277 12.903 0.260) 12.909 3.338 ( -0.081 -0.153 -0.010) 0.173 3.345 ( -0.119 -0.484 0.046) 0.501 3.428 ( -0.415 -0.127 -0.883) 0.984 3.444 ( -0.568 1.070 1.129) 1.655 3.573 ( -0.142 -3.286 -0.160) 3.293 3.585 ( -0.781 -2.761 -0.053) 2.870 3.634 ( -1.860 -13.691 0.170) 13.818 3.650 ( -1.675 -4.745 -0.091) 5.033 3.688 ( -1.290 -9.562 0.218) 9.651 3.697 ( -1.345 -0.747 0.510) 1.621 3.762 ( -0.179 2.881 -0.731) 2.978 3.787 ( -0.448 -0.632 0.576) 0.966 3.873 ( 0.412 2.636 0.272) 2.682 3.895 ( -0.264 1.793 -0.767) 1.968 3.923 ( 0.662 2.514 -0.567) 2.661 3.943 ( 0.156 1.538 0.165) 1.555 3.981 ( -0.460 5.742 -0.057) 5.760 4.008 ( 0.158 6.613 -1.066) 6.700 4.088 ( -1.581 5.726 0.719) 5.983 4.111 ( -1.329 6.554 0.650) 6.719 ======================= Grid point 181 (71/121) ======================= q-point: ( 0.50 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.421 -5.229 0.102) 8.282 0.645 ( -6.889 -5.211 -0.549) 8.655 0.760 ( -2.550 -4.715 0.392) 5.375 0.805 ( -1.375 -4.232 -0.172) 4.453 0.871 ( -1.789 -7.154 -0.291) 7.380 0.888 ( -1.686 -7.569 0.242) 7.759 1.030 ( -3.107 0.452 -0.288) 3.153 1.102 ( -3.007 0.335 0.536) 3.073 1.192 ( 4.149 -1.886 -0.129) 4.560 1.237 ( -0.354 -2.420 -0.065) 2.447 1.285 ( 0.517 -4.847 -0.135) 4.877 1.326 ( 1.808 1.779 0.301) 2.554 1.390 ( -0.267 1.235 -0.075) 1.266 1.432 ( 0.894 1.049 -0.528) 1.476 1.487 ( -1.507 -2.768 0.159) 3.156 1.521 ( -1.292 -3.499 0.693) 3.794 1.680 ( -2.051 -6.584 -0.013) 6.896 1.697 ( -1.685 -6.191 -0.328) 6.424 1.750 ( -1.479 -4.359 -0.205) 4.607 1.794 ( -1.646 -3.590 0.232) 3.956 1.975 ( 0.136 -1.651 0.031) 1.657 2.009 ( 0.356 -0.485 -0.020) 0.602 2.087 ( 0.235 -0.784 -0.288) 0.868 2.101 ( 0.650 0.194 0.203) 0.708 2.722 ( 0.265 17.903 0.062) 17.905 2.762 ( 0.395 17.861 -0.167) 17.866 2.820 ( -0.811 19.473 -0.024) 19.490 2.855 ( -0.920 19.413 0.117) 19.435 3.338 ( -0.308 -0.081 -0.117) 0.339 3.349 ( -0.341 -0.205 0.070) 0.405 3.407 ( 0.069 1.309 -0.394) 1.368 3.413 ( -0.256 1.596 0.604) 1.725 3.589 ( -0.432 0.866 0.085) 0.971 3.597 ( -0.342 1.793 -0.079) 1.827 3.604 ( 0.536 3.199 0.128) 3.246 3.623 ( 0.426 3.735 -0.026) 3.760 3.701 ( 2.308 2.597 -0.821) 3.570 3.734 ( 2.261 3.952 1.112) 4.687 3.781 ( 1.650 3.177 -0.441) 3.607 3.805 ( 1.927 3.893 0.024) 4.344 3.880 ( -0.516 -4.093 -0.153) 4.129 3.901 ( 0.040 -1.147 0.338) 1.196 3.912 ( 0.372 0.093 0.228) 0.446 3.927 ( 0.966 -0.412 -0.309) 1.095 3.953 ( -1.825 -3.234 0.561) 3.755 3.964 ( -2.400 -3.952 -1.000) 4.731 4.072 ( -4.971 -5.465 -1.545) 7.547 4.105 ( -6.432 -5.064 1.778) 8.377 ======================= Grid point 182 (72/121) ======================= q-point: ( 0.58 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -4.667 -7.381 0.020) 8.733 0.730 ( -4.701 -7.214 -0.494) 8.625 0.830 ( -1.473 -3.622 0.542) 3.947 0.858 ( -0.986 -2.408 0.371) 2.629 0.989 ( -0.851 -5.131 -0.065) 5.201 0.999 ( -1.286 -2.108 -0.631) 2.549 1.014 ( -2.029 -3.100 -0.919) 3.817 1.075 ( -2.186 0.309 0.880) 2.377 1.173 ( 2.928 2.003 0.269) 3.558 1.279 ( 1.578 2.689 0.341) 3.137 1.317 ( 0.918 0.189 0.390) 1.015 1.377 ( 0.849 -0.975 -0.871) 1.559 1.383 ( 0.705 -3.537 -0.015) 3.606 1.451 ( 0.807 -2.884 -0.418) 3.024 1.489 ( -2.351 1.035 0.322) 2.589 1.551 ( -1.995 -1.013 0.329) 2.262 1.781 ( -1.084 -4.329 0.528) 4.494 1.788 ( -0.588 -3.701 -0.815) 3.835 1.829 ( -0.991 -4.459 0.107) 4.569 1.846 ( -1.031 -2.911 -0.015) 3.089 2.010 ( 0.207 -1.559 0.157) 1.581 2.027 ( 0.018 -1.192 -0.174) 1.204 2.104 ( 0.255 -0.732 -0.214) 0.804 2.112 ( 0.077 -1.057 0.237) 1.086 2.400 ( 0.195 13.261 0.082) 13.263 2.441 ( 0.317 13.324 -0.174) 13.329 2.448 ( -0.757 15.359 0.122) 15.378 2.483 ( -0.780 15.644 0.015) 15.663 3.340 ( -0.335 -0.341 0.050) 0.480 3.352 ( -0.380 -0.397 -0.160) 0.572 3.384 ( 0.242 1.043 -0.133) 1.079 3.388 ( -0.066 0.938 0.333) 0.998 3.545 ( 0.717 2.229 -0.102) 2.344 3.549 ( 0.434 2.077 0.139) 2.127 3.562 ( 0.085 1.834 0.000) 1.836 3.573 ( 0.687 1.784 -0.072) 1.913 3.692 ( 1.196 0.161 -0.295) 1.242 3.700 ( 1.269 1.036 0.174) 1.648 3.725 ( 0.350 2.291 -0.039) 2.318 3.733 ( 0.616 3.093 0.103) 3.155 3.890 ( 0.439 1.340 -0.112) 1.414 3.897 ( -0.557 0.190 0.069) 0.592 3.916 ( -0.353 0.480 0.286) 0.661 3.929 ( 0.671 0.965 -0.238) 1.199 4.039 ( -0.795 -4.118 0.381) 4.211 4.045 ( -1.715 -4.182 -0.450) 4.542 4.157 ( -1.858 -4.743 -0.561) 5.125 4.172 ( -3.056 -4.581 0.643) 5.544 ======================= Grid point 183 (73/121) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.961 -6.860 0.104) 6.928 0.851 ( -0.659 -5.579 -0.616) 5.651 0.886 ( 0.013 -2.274 0.877) 2.437 0.896 ( 0.387 -1.314 0.480) 1.451 1.018 ( 0.000 -0.821 -0.810) 1.153 1.034 ( 0.024 1.277 -0.065) 1.279 1.042 ( 0.179 -0.833 0.045) 0.853 1.085 ( -1.465 -2.791 0.058) 3.153 1.209 ( 1.124 -3.743 -0.394) 3.928 1.239 ( 0.745 2.184 0.872) 2.467 1.315 ( 2.113 0.165 0.016) 2.120 1.354 ( 1.067 1.400 -0.969) 2.010 1.402 ( -1.657 3.112 0.092) 3.527 1.448 ( -2.543 2.817 0.244) 3.803 1.517 ( 0.565 -4.665 0.063) 4.700 1.595 ( 0.531 -3.004 0.014) 3.050 1.829 ( 0.339 -0.954 0.423) 1.097 1.836 ( -0.051 -1.492 -0.386) 1.542 1.889 ( 0.224 -1.326 0.182) 1.357 1.894 ( 0.052 -1.682 -0.235) 1.699 2.032 ( 0.246 -0.115 -0.122) 0.298 2.043 ( -0.056 0.052 -0.049) 0.090 2.117 ( 0.028 -0.200 -0.024) 0.203 2.130 ( 0.014 0.130 0.227) 0.262 2.257 ( 0.243 -0.055 0.020) 0.250 2.280 ( -0.882 -0.461 -0.138) 1.005 2.298 ( 0.146 0.350 0.120) 0.398 2.313 ( -0.969 -0.305 0.009) 1.016 3.350 ( -0.092 -0.851 0.220) 0.883 3.363 ( -0.019 -0.734 -0.393) 0.833 3.369 ( 0.151 0.437 0.059) 0.466 3.375 ( 0.015 0.345 0.106) 0.361 3.521 ( 0.247 0.494 -0.154) 0.573 3.525 ( 0.467 0.616 0.175) 0.793 3.540 ( 0.121 0.399 0.015) 0.418 3.557 ( 0.624 0.193 -0.039) 0.655 3.686 ( 0.197 1.445 -0.074) 1.460 3.690 ( 0.270 0.896 -0.000) 0.936 3.696 ( 0.097 0.128 -0.076) 0.177 3.701 ( -0.029 0.487 0.143) 0.509 3.863 ( 0.517 1.302 -0.047) 1.402 3.886 ( -0.511 0.662 0.079) 0.840 3.892 ( -0.749 1.097 -0.083) 1.331 3.910 ( -1.150 0.124 0.035) 1.157 4.090 ( 0.098 -1.597 -0.078) 1.602 4.106 ( -0.049 -2.255 0.287) 2.274 4.228 ( 0.377 -2.937 0.325) 2.979 4.253 ( 0.088 -4.137 -0.489) 4.167 ======================= Grid point 184 (74/121) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.003 3.601 1.170) 3.786 0.895 ( 0.510 1.677 -0.697) 1.886 0.924 ( 0.931 1.632 1.011) 2.134 0.946 ( 1.335 -2.505 -0.448) 2.874 0.997 ( -0.466 -0.884 -0.836) 1.303 1.033 ( 0.538 1.315 0.550) 1.523 1.052 ( -0.127 0.815 -0.622) 1.033 1.132 ( -0.229 -2.375 0.103) 2.388 1.194 ( 0.315 2.168 0.903) 2.370 1.282 ( 1.176 -1.599 -1.336) 2.393 1.319 ( 0.664 2.247 -0.638) 2.429 1.335 ( -0.663 1.267 0.054) 1.431 1.361 ( 0.731 -0.790 0.353) 1.133 1.379 ( -1.538 0.610 0.254) 1.674 1.582 ( 0.441 -1.258 0.148) 1.341 1.637 ( 0.475 -0.567 0.021) 0.740 1.832 ( 0.549 1.412 0.165) 1.524 1.837 ( 0.089 1.520 -0.088) 1.525 1.871 ( 0.361 3.504 0.147) 3.526 1.891 ( 0.118 2.238 -0.270) 2.257 2.009 ( 0.077 2.153 -0.207) 2.164 2.020 ( 0.004 1.743 0.146) 1.749 2.094 ( -0.129 1.937 -0.043) 1.942 2.107 ( 0.082 1.484 0.245) 1.506 2.421 ( 1.470 -14.668 -0.129) 14.742 2.441 ( -1.574 -14.761 -0.073) 14.845 2.455 ( 1.155 -14.738 0.120) 14.784 2.474 ( -1.297 -15.397 0.054) 15.452 3.358 ( 0.168 0.443 0.201) 0.514 3.366 ( -0.072 0.139 -0.299) 0.337 3.374 ( 0.054 -1.117 0.583) 1.261 3.390 ( -0.000 -1.475 -0.664) 1.617 3.534 ( 0.111 -1.839 0.069) 1.844 3.536 ( 0.071 -1.851 0.095) 1.855 3.554 ( -0.048 -1.990 0.020) 1.990 3.575 ( 0.271 -1.914 -0.088) 1.935 3.658 ( -0.071 1.322 -0.036) 1.324 3.668 ( -0.077 1.294 -0.046) 1.297 3.704 ( -0.209 -1.000 0.167) 1.035 3.707 ( -0.119 -1.268 -0.076) 1.276 3.846 ( -0.107 0.616 0.081) 0.630 3.867 ( -0.467 0.557 -0.279) 0.779 3.885 ( -0.304 -0.358 0.121) 0.485 3.915 ( -0.416 -0.702 0.008) 0.816 4.098 ( 0.467 1.274 -0.427) 1.422 4.128 ( 0.457 0.557 0.770) 1.054 4.265 ( 0.758 0.052 1.903) 2.049 4.323 ( 0.876 -2.498 -2.072) 3.362 ======================= Grid point 185 (75/121) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.270 7.117 2.927) 7.700 0.820 ( 0.169 5.777 -2.464) 6.283 0.855 ( 0.199 4.988 0.403) 5.008 0.911 ( -0.072 6.311 -1.243) 6.433 0.950 ( 0.324 7.031 -0.198) 7.041 0.976 ( -0.384 5.769 0.315) 5.790 1.033 ( -0.007 -0.846 0.179) 0.865 1.165 ( -0.141 0.309 0.379) 0.509 1.169 ( 0.101 1.172 0.675) 1.356 1.257 ( -0.295 2.050 0.374) 2.105 1.266 ( 0.149 2.885 -0.484) 2.929 1.328 ( 0.358 -1.480 -1.662) 2.254 1.390 ( -0.218 -1.179 0.582) 1.333 1.402 ( 0.064 -1.225 -0.131) 1.234 1.561 ( -0.013 4.071 0.213) 4.076 1.604 ( -0.010 4.731 0.137) 4.733 1.748 ( -0.154 7.562 0.570) 7.585 1.762 ( 0.001 7.312 -0.373) 7.321 1.781 ( 0.169 4.288 0.552) 4.327 1.817 ( -0.020 4.397 -0.863) 4.481 1.972 ( -0.027 1.101 0.000) 1.101 1.997 ( 0.032 0.502 0.016) 0.504 2.067 ( -0.137 0.554 0.199) 0.604 2.089 ( 0.170 0.330 -0.010) 0.371 2.774 ( -0.274 -18.515 -0.017) 18.517 2.783 ( 0.263 -19.040 -0.194) 19.043 2.813 ( 0.140 -18.981 0.208) 18.982 2.831 ( -0.116 -19.346 -0.048) 19.346 3.350 ( 0.074 0.426 0.357) 0.560 3.358 ( -0.082 0.466 -0.404) 0.622 3.404 ( -0.030 -1.624 0.787) 1.804 3.422 ( 0.028 -1.971 -1.008) 2.214 3.598 ( 0.010 -4.550 0.063) 4.550 3.609 ( 0.043 -5.187 0.055) 5.187 3.613 ( 0.080 0.529 0.049) 0.538 3.623 ( -0.001 -3.913 -0.158) 3.916 3.640 ( -0.131 0.364 0.228) 0.449 3.665 ( -0.012 -4.693 -0.354) 4.707 3.748 ( -0.070 -3.854 0.159) 3.858 3.760 ( 0.049 -4.296 -0.027) 4.296 3.831 ( 0.058 1.553 -0.127) 1.559 3.848 ( 0.001 1.835 -0.172) 1.843 3.894 ( 0.012 -0.685 0.142) 0.700 3.921 ( -0.036 0.065 -0.140) 0.158 4.035 ( -0.092 4.594 -0.509) 4.623 4.077 ( 0.089 4.904 0.580) 4.939 4.236 ( -0.136 3.935 4.682) 6.117 4.333 ( 0.123 1.761 -4.138) 4.498 ======================= Grid point 186 (76/121) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.005 7.976 4.713) 9.264 0.670 ( -0.982 8.703 -1.832) 8.948 0.706 ( -0.179 11.266 -0.277) 11.271 0.728 ( 0.238 9.667 -3.078) 10.148 0.772 ( -0.597 9.450 0.442) 9.479 0.844 ( -0.765 7.125 -0.539) 7.186 1.031 ( -0.648 1.021 0.210) 1.228 1.096 ( 0.198 4.319 2.079) 4.798 1.147 ( -0.159 3.336 0.764) 3.426 1.184 ( -0.425 3.541 -2.034) 4.106 1.272 ( -0.166 -1.384 -0.111) 1.398 1.340 ( 0.027 2.419 -1.151) 2.679 1.394 ( 0.026 3.110 0.886) 3.234 1.406 ( -0.129 0.560 -0.430) 0.718 1.435 ( -0.252 5.080 0.248) 5.092 1.452 ( -0.506 8.587 0.020) 8.602 1.556 ( 0.291 11.813 0.980) 11.857 1.575 ( 0.463 11.364 -0.649) 11.392 1.676 ( -0.453 6.300 0.662) 6.351 1.726 ( -0.093 4.802 -0.675) 4.850 1.965 ( -0.086 -0.206 -0.015) 0.224 1.997 ( 0.056 -0.382 -0.068) 0.392 2.070 ( 0.010 -0.781 0.173) 0.800 2.095 ( 0.191 -0.784 -0.036) 0.808 3.101 ( -0.960 -13.834 -0.005) 13.867 3.124 ( 0.760 -13.806 -0.165) 13.828 3.144 ( -0.848 -13.614 0.131) 13.641 3.170 ( 0.538 -13.434 -0.075) 13.445 3.343 ( 0.044 0.480 0.197) 0.521 3.346 ( -0.073 0.616 -0.225) 0.659 3.439 ( -0.179 -1.710 0.848) 1.918 3.462 ( -0.134 -2.151 -0.987) 2.371 3.569 ( 0.302 4.768 1.024) 4.886 3.587 ( -0.095 3.699 -1.160) 3.878 3.677 ( -0.289 8.513 0.337) 8.524 3.711 ( -0.758 1.689 -0.059) 1.852 3.723 ( -0.165 1.657 -0.758) 1.829 3.730 ( 0.427 -0.046 -1.680) 1.734 3.750 ( 0.281 -6.296 0.394) 6.315 3.795 ( -0.296 -5.498 -0.837) 5.569 3.863 ( -0.547 -7.421 1.034) 7.513 3.898 ( 0.056 -5.919 -0.374) 5.931 3.928 ( 0.024 -4.520 1.820) 4.873 3.939 ( -0.089 -5.403 -0.229) 5.408 3.989 ( -0.046 -1.032 0.575) 1.182 4.006 ( 0.389 0.440 0.244) 0.636 4.127 ( -1.180 6.837 6.247) 9.337 4.231 ( -1.157 6.566 -6.311) 9.180 ======================= Grid point 190 (77/121) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 4.756 0.000 0.898) 4.840 0.427 ( 3.786 0.000 -3.222) 4.972 0.461 ( 9.249 0.000 0.343) 9.255 0.478 ( 8.485 0.000 -0.309) 8.490 0.519 ( 2.583 0.000 -0.954) 2.753 0.617 ( 5.768 0.000 0.746) 5.816 0.648 ( 4.043 0.000 1.703) 4.387 0.719 ( 2.671 0.000 -0.168) 2.676 0.775 ( 1.491 0.000 -0.768) 1.677 0.793 ( 1.594 0.000 0.744) 1.759 0.923 ( -4.908 -0.000 0.846) 4.980 1.043 ( -3.738 -0.000 -2.204) 4.340 1.104 ( -1.070 -0.000 -0.002) 1.070 1.113 ( 0.310 0.000 0.644) 0.715 1.144 ( -1.476 -0.000 0.003) 1.476 1.240 ( -0.262 -0.000 1.797) 1.816 1.403 ( 1.170 0.000 -0.671) 1.349 1.464 ( 1.144 0.000 -0.348) 1.196 1.560 ( 0.206 0.000 0.050) 0.212 1.636 ( 0.150 0.000 0.070) 0.166 2.006 ( -1.248 -0.000 -0.520) 1.352 2.022 ( -0.937 -0.000 0.408) 1.022 2.149 ( -0.288 -0.000 -0.637) 0.699 2.194 ( -0.140 -0.000 0.695) 0.709 2.394 ( 2.098 0.000 -0.099) 2.100 2.420 ( 3.418 0.000 0.072) 3.419 2.441 ( 2.706 0.000 -0.100) 2.707 2.462 ( 3.882 0.000 0.122) 3.884 3.352 ( 0.390 0.000 -0.006) 0.390 3.356 ( 0.516 0.000 -0.015) 0.516 3.401 ( -0.626 -0.000 -0.024) 0.626 3.416 ( -0.486 -0.000 0.029) 0.487 3.500 ( -0.807 -0.000 -0.013) 0.807 3.537 ( 0.134 0.000 0.117) 0.178 3.539 ( -0.830 -0.000 0.018) 0.830 3.565 ( -0.082 -0.000 -0.051) 0.096 3.608 ( 0.070 0.000 -0.024) 0.074 3.620 ( -0.429 -0.000 0.014) 0.429 3.931 ( -1.571 -0.000 0.414) 1.625 3.963 ( -0.725 -0.000 -1.211) 1.412 4.010 ( -1.576 -0.000 1.489) 2.168 4.049 ( -1.120 -0.000 -1.114) 1.580 4.109 ( -0.145 -0.000 0.497) 0.517 4.132 ( -0.115 -0.000 -0.160) 0.197 4.426 ( 2.195 0.000 0.014) 2.195 4.475 ( 3.672 0.000 -2.298) 4.331 4.513 ( 5.311 0.000 3.095) 6.147 4.569 ( 6.812 0.000 -0.829) 6.862 ======================= Grid point 191 (78/121) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 4.629 -0.390 0.170) 4.649 0.439 ( 3.200 -0.941 -1.081) 3.507 0.511 ( 3.839 -1.550 -1.723) 4.484 0.578 ( 5.189 -1.464 0.400) 5.406 0.608 ( 2.380 -0.491 2.142) 3.239 0.696 ( 1.676 -2.364 -0.657) 2.972 0.729 ( 2.933 -8.520 -0.389) 9.019 0.764 ( 2.612 -8.114 0.203) 8.527 0.904 ( -2.810 -3.582 0.924) 4.646 0.971 ( 0.046 -11.495 -1.185) 11.556 0.982 ( 1.613 -14.193 0.583) 14.296 1.018 ( -2.180 -3.357 -1.274) 4.201 1.106 ( 1.111 -1.431 0.155) 1.819 1.206 ( -0.425 -5.524 1.151) 5.658 1.221 ( -0.460 -7.829 0.303) 7.848 1.279 ( -0.056 -4.997 0.574) 5.030 1.402 ( 1.399 0.576 -0.367) 1.557 1.460 ( 0.844 0.704 -0.342) 1.151 1.546 ( -0.211 1.048 -0.738) 1.299 1.621 ( -0.126 1.282 0.719) 1.475 1.979 ( -0.445 1.286 -0.396) 1.418 2.013 ( -0.370 0.417 0.242) 0.608 2.127 ( 0.212 1.313 -1.066) 1.704 2.172 ( 0.319 1.580 1.068) 1.933 2.666 ( 0.082 -21.879 -0.038) 21.879 2.694 ( 0.996 -21.789 0.196) 21.813 2.754 ( -2.507 -24.798 -1.067) 24.947 2.782 ( -3.158 -24.991 0.945) 25.208 3.351 ( 0.306 0.247 -0.152) 0.421 3.357 ( 0.297 0.166 0.117) 0.359 3.409 ( -0.465 -0.612 -0.008) 0.769 3.425 ( -0.429 -0.782 0.014) 0.893 3.456 ( -1.481 3.603 -0.027) 3.895 3.495 ( -1.639 3.534 0.090) 3.896 3.532 ( -0.038 0.625 0.071) 0.631 3.558 ( -0.138 0.626 0.099) 0.649 3.608 ( -0.136 0.365 -0.483) 0.620 3.614 ( -0.399 0.614 0.364) 0.818 3.899 ( -1.270 2.214 0.445) 2.591 3.932 ( -0.565 2.377 -1.205) 2.724 3.976 ( -1.415 2.497 1.382) 3.186 4.016 ( -0.897 2.266 -1.061) 2.658 4.065 ( -0.054 4.250 0.530) 4.283 4.087 ( 0.019 4.124 -0.160) 4.127 4.361 ( 2.062 7.479 -0.012) 7.758 4.414 ( 3.041 7.509 -1.724) 8.283 4.474 ( 4.755 7.486 2.506) 9.216 4.528 ( 5.592 7.684 -0.791) 9.536 ======================= Grid point 192 (79/121) ======================= q-point: ( 0.42 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 1.676 -3.707 -0.671) 4.124 0.498 ( 1.034 -2.788 1.060) 3.157 0.587 ( 2.847 -4.223 -2.628) 5.732 0.598 ( 0.517 -0.425 -0.622) 0.913 0.648 ( 1.138 -3.041 2.306) 3.983 0.703 ( -0.453 -0.248 0.344) 0.621 0.893 ( -0.091 -7.103 -0.656) 7.133 0.972 ( -1.193 -7.253 0.929) 7.409 1.010 ( -0.924 -7.077 -1.340) 7.261 1.037 ( -1.680 -4.797 -0.586) 5.116 1.175 ( 0.899 -5.976 0.875) 6.106 1.253 ( 0.132 -9.161 -0.019) 9.162 1.262 ( 0.453 -6.610 1.248) 6.742 1.303 ( -0.095 -10.006 0.313) 10.011 1.392 ( 1.572 -3.348 -0.013) 3.699 1.415 ( 0.820 -5.306 -0.352) 5.381 1.434 ( 0.874 -6.073 -0.117) 6.137 1.468 ( 0.090 -3.630 -0.791) 3.716 1.531 ( -0.822 -1.014 -0.262) 1.331 1.604 ( -0.400 -0.564 0.739) 1.012 1.955 ( -0.368 0.750 -0.227) 0.866 2.005 ( -0.159 0.233 0.125) 0.309 2.100 ( 0.224 1.296 -0.891) 1.588 2.144 ( 0.490 1.673 0.807) 1.921 3.106 ( -2.195 -16.664 -0.418) 16.813 3.148 ( -0.380 -19.550 0.533) 19.561 3.186 ( -3.592 -14.012 0.016) 14.465 3.207 ( -1.240 -16.832 -0.080) 16.878 3.335 ( -0.413 2.157 -0.387) 2.229 3.350 ( 0.191 1.207 0.363) 1.275 3.358 ( -1.153 1.951 -0.568) 2.336 3.393 ( -1.578 1.120 -0.337) 1.964 3.417 ( -0.790 -0.157 0.090) 0.810 3.428 ( -2.645 -1.456 1.231) 3.261 3.520 ( -0.675 -0.461 -0.316) 0.876 3.548 ( -0.591 -0.505 0.140) 0.790 3.592 ( -0.822 -0.371 -0.363) 0.972 3.603 ( -1.152 -0.591 0.256) 1.320 3.835 ( -0.656 3.745 0.233) 3.809 3.858 ( -0.262 4.765 -0.533) 4.801 3.918 ( -0.706 2.447 0.577) 2.612 3.949 ( -0.051 4.127 -0.806) 4.205 3.977 ( -0.372 3.103 0.519) 3.168 3.996 ( -0.023 4.197 -0.129) 4.199 4.179 ( 1.560 11.384 0.144) 11.491 4.227 ( 2.152 12.094 -1.476) 12.373 4.302 ( 2.581 12.012 1.876) 12.429 4.346 ( 3.266 12.757 -0.554) 13.180 ======================= Grid point 193 (80/121) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -2.848 -1.568 -0.449) 3.282 0.529 ( -3.324 -2.452 0.539) 4.165 0.645 ( -2.396 -4.655 0.155) 5.238 0.698 ( 1.362 -5.682 -1.725) 6.092 0.738 ( -1.236 -4.483 -0.122) 4.652 0.747 ( -0.532 -5.881 1.177) 6.021 1.007 ( -1.829 -1.887 -0.322) 2.647 1.044 ( -0.390 -5.141 -1.004) 5.253 1.108 ( -1.896 -2.991 0.732) 3.616 1.142 ( -0.245 -6.720 -0.324) 6.733 1.306 ( -0.082 -4.167 0.943) 4.273 1.312 ( 2.415 0.585 0.937) 2.656 1.365 ( -1.031 -4.836 0.126) 4.947 1.411 ( 0.753 -0.954 -0.340) 1.262 1.446 ( 0.796 -0.064 -0.771) 1.110 1.498 ( -0.612 -2.612 0.941) 2.843 1.539 ( 0.581 -5.705 -1.426) 5.910 1.556 ( -0.129 -5.644 0.537) 5.671 1.633 ( -1.290 -6.917 -0.082) 7.037 1.685 ( -1.926 -6.421 0.231) 6.707 1.951 ( -0.080 -0.645 -0.097) 0.657 2.004 ( 0.046 -0.205 0.119) 0.241 2.082 ( 0.149 0.374 -0.675) 0.786 2.120 ( 0.679 1.127 0.525) 1.417 3.044 ( 0.205 13.169 0.015) 13.170 3.085 ( 0.206 13.451 -0.364) 13.457 3.147 ( -1.042 12.974 0.033) 13.015 3.182 ( -1.289 13.302 0.300) 13.367 3.338 ( -0.062 0.008 -0.014) 0.064 3.343 ( -0.088 -0.445 -0.126) 0.471 3.422 ( -0.062 -0.849 -0.430) 0.954 3.441 ( -0.675 0.787 0.751) 1.281 3.565 ( -1.157 -6.868 -0.002) 6.964 3.577 ( -0.287 -2.053 -0.079) 2.075 3.616 ( -1.088 -11.911 -0.355) 11.966 3.635 ( -0.760 -5.952 0.353) 6.011 3.674 ( -1.174 -11.476 0.696) 11.557 3.684 ( -1.133 -4.978 0.428) 5.123 3.756 ( -0.273 2.299 -0.615) 2.395 3.779 ( -0.693 -2.114 -0.445) 2.269 3.874 ( 0.084 2.232 -0.218) 2.244 3.894 ( 0.276 1.372 0.008) 1.399 3.933 ( 0.951 2.689 -0.215) 2.860 3.946 ( 0.240 0.667 0.029) 0.710 3.978 ( -0.142 7.525 0.091) 7.527 4.004 ( -0.059 8.441 -0.905) 8.489 4.077 ( -0.836 10.043 0.791) 10.109 4.103 ( -0.450 11.130 0.293) 11.143 ======================= Grid point 194 (81/121) ======================= q-point: ( 0.58 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -3.941 -4.695 0.030) 6.130 0.572 ( -4.387 -4.923 -0.454) 6.610 0.729 ( -2.423 -5.075 0.542) 5.650 0.786 ( -1.678 -3.879 0.459) 4.251 0.855 ( -0.057 -6.967 -1.234) 7.075 0.873 ( -1.054 -6.871 -0.218) 6.954 0.994 ( -2.155 0.401 -0.445) 2.236 1.075 ( -1.766 0.386 0.748) 1.957 1.222 ( 0.326 -7.431 -0.181) 7.441 1.247 ( 2.043 -0.317 0.276) 2.085 1.296 ( 1.580 -1.768 -0.616) 2.450 1.345 ( 0.534 1.487 1.391) 2.105 1.388 ( 0.025 0.304 0.419) 0.518 1.433 ( 0.014 -0.596 -1.368) 1.492 1.474 ( -0.688 -1.845 -0.247) 1.985 1.514 ( -0.547 -0.956 1.027) 1.506 1.661 ( -0.902 -6.447 -0.036) 6.510 1.678 ( -1.012 -6.331 -0.667) 6.446 1.733 ( -1.005 -4.489 0.076) 4.601 1.773 ( -1.659 -3.815 0.186) 4.164 1.976 ( 0.049 -1.718 0.024) 1.719 2.013 ( 0.207 -0.478 0.039) 0.522 2.086 ( -0.017 -0.779 -0.644) 1.011 2.111 ( 0.572 0.341 0.545) 0.860 2.729 ( 0.787 17.955 0.011) 17.972 2.771 ( 0.958 17.800 -0.131) 17.826 2.807 ( -1.099 19.343 0.003) 19.374 2.841 ( -1.292 19.200 0.117) 19.243 3.335 ( -0.120 0.034 0.038) 0.131 3.345 ( -0.293 -0.082 -0.162) 0.345 3.407 ( 0.165 1.208 -0.101) 1.224 3.412 ( -0.288 1.494 0.361) 1.563 3.585 ( -0.259 0.709 0.152) 0.770 3.592 ( -0.294 1.078 -0.137) 1.126 3.612 ( 0.496 3.485 0.173) 3.525 3.628 ( 0.357 3.470 -0.059) 3.489 3.727 ( 2.484 2.814 -0.592) 3.800 3.761 ( 1.145 3.598 0.983) 3.902 3.801 ( 1.869 4.149 -0.828) 4.626 3.830 ( 1.385 4.784 0.119) 4.982 3.866 ( -0.707 -4.430 -0.250) 4.493 3.895 ( -1.149 -3.635 0.787) 3.893 3.913 ( -1.006 -0.472 -0.281) 1.146 3.927 ( 0.346 -1.606 -0.381) 1.686 3.945 ( -0.392 -2.446 -0.339) 2.500 3.950 ( 0.634 -0.940 0.173) 1.147 4.018 ( -3.079 -6.324 -0.505) 7.052 4.036 ( -5.359 -6.105 0.888) 8.171 ======================= Grid point 195 (82/121) ======================= q-point: ( 0.67 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -1.844 -8.415 0.043) 8.614 0.685 ( -1.979 -8.364 -0.568) 8.613 0.818 ( -0.713 -4.595 0.827) 4.723 0.850 ( -0.405 -3.289 0.380) 3.336 0.978 ( -0.563 -4.350 -0.503) 4.415 0.987 ( -0.431 -3.387 -0.075) 3.415 0.993 ( -0.624 -4.146 -1.351) 4.405 1.059 ( -0.895 0.352 0.751) 1.220 1.204 ( 1.462 2.793 0.201) 3.158 1.296 ( 0.742 2.631 1.119) 2.954 1.329 ( 0.720 -0.557 0.129) 0.919 1.377 ( -0.248 0.538 -1.091) 1.242 1.393 ( 0.893 -6.159 -0.194) 6.226 1.448 ( -1.015 0.286 0.017) 1.055 1.478 ( 0.328 0.820 0.097) 0.889 1.531 ( -1.262 -2.414 0.169) 2.729 1.773 ( -0.569 -4.806 0.372) 4.854 1.782 ( 0.098 -4.229 -0.751) 4.297 1.820 ( -0.667 -4.715 0.440) 4.782 1.837 ( -0.265 -3.500 -0.263) 3.520 2.013 ( 0.134 -1.740 0.209) 1.757 2.025 ( -0.089 -0.869 -0.270) 0.914 2.107 ( 0.216 -1.113 -0.022) 1.134 2.114 ( -0.005 -0.514 0.178) 0.544 2.402 ( 0.107 13.633 0.049) 13.634 2.438 ( -0.352 15.034 -0.172) 15.039 2.448 ( 0.200 13.945 0.104) 13.947 2.475 ( -0.386 15.365 0.039) 15.370 3.338 ( -0.060 -0.362 0.188) 0.413 3.347 ( -0.219 -0.450 -0.308) 0.587 3.386 ( 0.062 1.023 0.034) 1.026 3.388 ( 0.005 0.838 0.163) 0.853 3.550 ( 0.135 2.092 -0.047) 2.097 3.555 ( 0.328 2.048 0.106) 2.077 3.563 ( 0.052 1.666 -0.028) 1.667 3.579 ( 0.329 1.687 -0.061) 1.720 3.704 ( 0.653 0.763 -0.185) 1.021 3.711 ( 0.529 1.478 -0.100) 1.573 3.729 ( 0.233 2.713 0.101) 2.725 3.739 ( 0.163 3.491 0.130) 3.498 3.883 ( -0.568 0.360 -0.042) 0.674 3.896 ( -0.048 0.935 -0.180) 0.953 3.914 ( -0.116 0.847 0.472) 0.977 3.935 ( 0.423 1.707 -0.322) 1.788 4.028 ( -0.778 -4.555 -0.256) 4.629 4.035 ( -0.079 -4.623 0.394) 4.640 4.140 ( -0.701 -5.870 -0.132) 5.913 4.147 ( -1.179 -6.250 0.090) 6.361 ======================= Grid point 196 (83/121) ======================= q-point: (-0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.176 -7.693 0.386) 7.705 0.842 ( -0.181 -7.035 -0.780) 7.081 0.890 ( -0.027 -2.522 0.812) 2.650 0.902 ( 0.213 -1.435 0.489) 1.531 1.015 ( -0.114 -2.032 -0.705) 2.154 1.033 ( -0.081 2.409 -0.116) 2.413 1.043 ( -0.177 -0.752 -0.081) 0.777 1.076 ( 0.105 -3.617 0.121) 3.620 1.213 ( -0.476 -3.454 -0.494) 3.522 1.250 ( 0.558 2.421 0.895) 2.641 1.334 ( 0.514 -0.231 -0.106) 0.574 1.353 ( -0.575 1.448 -0.753) 1.730 1.395 ( 0.392 2.933 0.033) 2.959 1.427 ( -0.330 3.353 0.216) 3.377 1.521 ( -0.025 -4.888 0.063) 4.888 1.598 ( -0.048 -3.212 0.028) 3.213 1.831 ( -0.236 -1.428 0.042) 1.448 1.836 ( 0.272 -1.389 0.056) 1.416 1.891 ( 0.025 -1.903 0.017) 1.904 1.893 ( -0.065 -1.624 -0.125) 1.630 2.033 ( 0.130 -0.065 -0.176) 0.228 2.042 ( -0.183 -0.104 0.000) 0.211 2.118 ( 0.065 -0.066 0.018) 0.094 2.132 ( 0.080 0.012 0.193) 0.209 2.260 ( -0.005 -0.564 0.002) 0.564 2.272 ( 0.041 -0.051 -0.066) 0.093 2.302 ( -0.719 0.074 0.081) 0.727 2.303 ( 0.656 0.144 -0.013) 0.672 3.351 ( 0.024 -0.909 0.272) 0.949 3.361 ( -0.008 -0.984 -0.404) 1.064 3.371 ( 0.025 0.536 0.023) 0.537 3.375 ( -0.046 0.434 0.100) 0.448 3.522 ( -0.035 0.623 -0.089) 0.630 3.529 ( 0.026 0.602 0.119) 0.614 3.541 ( 0.019 0.459 0.001) 0.459 3.561 ( -0.011 0.227 -0.031) 0.230 3.687 ( -0.040 1.508 -0.093) 1.511 3.692 ( 0.027 1.237 -0.024) 1.237 3.698 ( 0.125 0.340 0.040) 0.365 3.700 ( -0.108 0.426 0.074) 0.446 3.870 ( -0.009 1.615 -0.026) 1.615 3.876 ( -0.000 -0.099 -0.004) 0.099 3.891 ( 0.103 2.115 -0.062) 2.118 3.901 ( -0.104 -0.102 0.065) 0.160 4.091 ( 0.113 -1.976 -0.107) 1.982 4.107 ( -0.105 -2.506 0.316) 2.528 4.235 ( 0.304 -3.517 0.679) 3.595 4.249 ( -0.302 -4.566 -0.838) 4.652 ======================= Grid point 197 (84/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.285 3.411 1.028) 3.573 0.896 ( 0.110 1.806 -0.799) 1.978 0.927 ( -1.218 1.407 0.895) 2.065 0.946 ( -1.069 -1.547 -0.444) 1.932 0.992 ( 0.383 -1.359 -0.607) 1.536 1.040 ( 0.057 1.336 0.842) 1.580 1.043 ( -0.829 0.508 -0.747) 1.226 1.132 ( 0.155 -2.244 0.085) 2.251 1.196 ( -0.591 2.128 0.821) 2.356 1.284 ( -0.066 -1.952 -1.712) 2.597 1.311 ( -1.241 1.244 0.295) 1.782 1.336 ( 0.096 3.285 -0.051) 3.287 1.366 ( 0.340 -1.840 -0.286) 1.893 1.377 ( 1.006 1.040 0.541) 1.545 1.582 ( -0.460 -1.289 0.119) 1.374 1.636 ( -0.583 -0.581 0.053) 0.824 1.831 ( -0.574 1.606 0.164) 1.713 1.838 ( -0.053 1.289 -0.125) 1.297 1.872 ( -0.206 3.530 0.101) 3.538 1.889 ( -0.330 2.256 -0.155) 2.286 2.009 ( -0.037 2.264 -0.154) 2.269 2.020 ( -0.067 1.603 0.120) 1.609 2.094 ( 0.142 1.922 -0.012) 1.927 2.109 ( 0.089 1.531 0.086) 1.536 2.421 ( -1.500 -14.524 -0.102) 14.601 2.440 ( 1.507 -14.974 -0.019) 15.050 2.456 ( -1.033 -14.760 0.072) 14.796 2.475 ( 1.266 -15.316 0.031) 15.369 3.360 ( 0.012 0.433 0.259) 0.504 3.363 ( -0.183 0.129 -0.278) 0.357 3.377 ( 0.050 -1.106 0.635) 1.276 3.387 ( -0.034 -1.434 -0.747) 1.617 3.534 ( -0.007 -2.174 0.028) 2.174 3.536 ( -0.133 -1.539 0.078) 1.547 3.554 ( 0.058 -2.001 0.014) 2.002 3.574 ( -0.329 -1.904 -0.046) 1.932 3.658 ( 0.060 1.332 -0.031) 1.334 3.668 ( 0.057 1.305 -0.016) 1.306 3.704 ( 0.118 -0.976 0.145) 0.994 3.708 ( 0.239 -1.300 -0.092) 1.325 3.846 ( 0.116 0.627 0.048) 0.639 3.864 ( 0.319 0.547 -0.095) 0.641 3.887 ( 0.541 -0.393 -0.058) 0.671 3.914 ( 0.297 -0.657 0.062) 0.724 4.097 ( -0.392 1.452 -0.301) 1.534 4.130 ( -0.556 0.400 0.556) 0.882 4.274 ( -0.667 -0.203 2.095) 2.208 4.314 ( -0.929 -2.297 -2.228) 3.332 ======================= Grid point 198 (85/121) ======================= q-point: (-0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.781 6.743 2.543) 7.249 0.807 ( -0.831 6.394 -1.823) 6.701 0.853 ( -0.944 4.721 -0.223) 4.820 0.895 ( -2.075 5.759 -0.732) 6.165 0.943 ( -1.327 7.379 -0.506) 7.514 0.964 ( -1.693 5.937 0.727) 6.216 1.031 ( 0.042 -0.787 0.027) 0.788 1.166 ( -0.047 0.528 0.382) 0.653 1.171 ( -0.323 0.404 0.285) 0.591 1.255 ( -0.459 2.645 0.630) 2.757 1.268 ( 0.504 3.298 -0.308) 3.351 1.316 ( -0.955 -1.786 -1.547) 2.548 1.394 ( 0.399 -1.515 0.768) 1.745 1.400 ( -0.199 -1.116 -0.365) 1.191 1.553 ( -1.279 4.191 0.177) 4.386 1.593 ( -1.684 4.842 0.044) 5.126 1.746 ( -0.602 6.827 0.407) 6.866 1.758 ( -0.598 7.280 -0.077) 7.305 1.782 ( -0.325 4.410 0.127) 4.423 1.814 ( 0.006 4.407 -0.513) 4.437 1.971 ( -0.030 1.098 0.025) 1.099 1.998 ( 0.134 0.501 -0.022) 0.519 2.068 ( 0.168 0.672 0.306) 0.757 2.092 ( 0.293 0.264 -0.243) 0.464 2.756 ( -1.739 -18.812 0.040) 18.892 2.795 ( -0.299 -18.704 -0.233) 18.708 2.804 ( 0.178 -19.058 0.119) 19.060 2.842 ( 1.241 -19.141 0.035) 19.181 3.352 ( -0.045 0.413 0.331) 0.531 3.355 ( -0.182 0.439 -0.349) 0.589 3.406 ( -0.037 -1.595 0.847) 1.807 3.418 ( -0.031 -1.934 -0.976) 2.167 3.596 ( -0.271 -4.535 0.011) 4.543 3.609 ( -0.134 -4.545 -0.066) 4.547 3.611 ( -0.283 0.385 -0.023) 0.478 3.621 ( -0.140 -3.838 -0.128) 3.842 3.644 ( 0.627 -0.433 0.398) 0.859 3.668 ( 0.699 -4.601 -0.245) 4.661 3.749 ( 0.268 -3.664 0.170) 3.677 3.763 ( 0.537 -4.126 -0.075) 4.161 3.837 ( 0.973 1.374 -0.162) 1.691 3.856 ( 1.246 1.796 -0.092) 2.188 3.895 ( 0.133 -0.465 0.065) 0.488 3.920 ( -0.043 0.207 -0.028) 0.213 4.025 ( -1.233 4.500 -0.114) 4.668 4.070 ( -1.455 4.856 0.176) 5.072 4.238 ( -2.492 3.681 4.329) 6.205 4.300 ( -2.706 2.409 -4.003) 5.399 ======================= Grid point 203 (86/121) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 3.813 0.000 2.002) 4.307 0.450 ( 1.478 0.000 -1.584) 2.167 0.532 ( 0.140 0.000 0.833) 0.845 0.547 ( 4.837 0.000 -0.324) 4.848 0.564 ( 5.393 0.000 0.414) 5.408 0.661 ( 1.795 0.000 -1.416) 2.286 0.691 ( 3.580 0.000 -1.320) 3.816 0.761 ( 2.736 0.000 0.520) 2.785 0.794 ( 2.394 0.000 -0.980) 2.587 0.826 ( 2.940 0.000 0.886) 3.070 0.880 ( -2.122 -0.000 0.866) 2.291 0.989 ( -3.624 -0.000 -1.379) 3.878 1.089 ( -1.381 -0.000 -0.016) 1.381 1.124 ( -1.745 -0.000 0.005) 1.745 1.130 ( 2.098 0.000 0.244) 2.112 1.258 ( 1.609 0.000 1.946) 2.525 1.414 ( 1.039 0.000 -0.371) 1.104 1.474 ( 0.501 0.000 -0.037) 0.503 1.555 ( -0.671 -0.000 -1.671) 1.801 1.635 ( -0.573 -0.000 1.361) 1.476 1.993 ( -0.581 -0.000 -0.752) 0.950 2.017 ( -0.418 -0.000 0.602) 0.733 2.144 ( -0.013 -0.000 -0.861) 0.861 2.196 ( -0.055 -0.000 0.867) 0.868 2.418 ( 1.884 0.000 -0.012) 1.884 2.461 ( 3.031 0.000 -0.019) 3.031 2.473 ( 2.504 0.000 0.014) 2.504 2.509 ( 3.521 0.000 0.015) 3.521 3.356 ( 0.374 0.000 -0.145) 0.401 3.362 ( 0.426 0.000 0.126) 0.444 3.397 ( -0.105 -0.000 0.027) 0.108 3.412 ( -0.195 -0.000 -0.064) 0.205 3.483 ( -1.830 -0.000 0.122) 1.834 3.521 ( -1.915 -0.000 -0.088) 1.917 3.539 ( 0.006 0.000 0.131) 0.131 3.563 ( -0.164 -0.000 -0.006) 0.164 3.613 ( 0.644 0.000 -0.008) 0.644 3.620 ( 0.318 0.000 0.013) 0.319 3.915 ( -1.254 -0.000 0.567) 1.376 3.948 ( -0.745 -0.000 -1.481) 1.657 3.996 ( -1.550 -0.000 1.677) 2.283 4.031 ( -0.971 -0.000 -1.023) 1.410 4.112 ( 0.335 0.000 0.305) 0.453 4.133 ( 0.351 0.000 -0.136) 0.376 4.449 ( 1.589 0.000 0.202) 1.602 4.505 ( 2.514 0.000 -1.799) 3.091 4.585 ( 4.281 0.000 2.422) 4.919 4.640 ( 5.172 0.000 -0.856) 5.242 ======================= Grid point 204 (87/121) ======================= q-point: ( 0.42 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 2.269 -0.095 1.182) 2.560 0.462 ( 1.327 -1.409 -0.425) 1.982 0.543 ( 1.999 -1.358 1.113) 2.661 0.630 ( 2.982 -0.331 -1.133) 3.207 0.647 ( 3.957 0.482 -0.674) 4.042 0.722 ( 2.327 -4.366 0.101) 4.949 0.742 ( 0.055 -3.352 -0.611) 3.408 0.778 ( -0.182 -8.381 -0.084) 8.383 0.881 ( -1.625 -2.853 0.240) 3.293 0.957 ( -1.364 -4.220 -1.131) 4.577 0.999 ( 0.892 -12.039 -0.264) 12.075 1.015 ( 1.999 -12.613 -0.156) 12.772 1.123 ( 1.306 -1.949 0.469) 2.393 1.202 ( -0.727 -7.994 0.731) 8.060 1.219 ( -0.257 -7.430 0.245) 7.439 1.287 ( 0.790 -2.905 1.018) 3.178 1.417 ( 1.186 0.266 -0.040) 1.216 1.466 ( 0.216 0.866 0.173) 0.909 1.533 ( -0.782 0.927 -2.353) 2.647 1.624 ( -0.205 0.995 1.709) 1.989 1.973 ( -0.273 1.164 -0.478) 1.287 2.011 ( -0.189 0.390 0.372) 0.572 2.126 ( 0.216 1.274 -1.063) 1.673 2.179 ( 0.134 1.416 0.965) 1.719 2.664 ( -0.266 -20.731 -0.116) 20.733 2.708 ( 1.000 -20.149 0.362) 20.177 2.731 ( -1.043 -21.760 -0.364) 21.788 2.766 ( -0.091 -21.009 0.129) 21.009 3.354 ( 0.222 0.367 -0.106) 0.442 3.360 ( 0.193 0.399 -0.015) 0.443 3.405 ( -0.113 -0.289 -0.054) 0.315 3.421 ( -0.212 -0.537 -0.090) 0.585 3.438 ( -1.403 3.228 0.317) 3.534 3.475 ( -1.564 3.322 0.029) 3.672 3.531 ( -0.113 0.779 0.107) 0.795 3.556 ( -0.235 0.689 -0.049) 0.730 3.606 ( 0.111 1.110 -0.274) 1.148 3.612 ( -0.145 0.972 0.277) 1.021 3.888 ( -0.873 2.059 0.560) 2.305 3.920 ( -0.559 2.126 -1.456) 2.636 3.967 ( -1.054 2.276 1.614) 2.983 4.002 ( -0.554 2.016 -1.056) 2.342 4.068 ( 0.204 4.424 0.366) 4.444 4.089 ( 0.282 4.299 -0.140) 4.311 4.383 ( 1.443 7.382 0.339) 7.529 4.438 ( 1.885 7.520 -1.635) 7.923 4.531 ( 3.035 7.989 2.002) 8.777 4.583 ( 3.721 8.212 -0.744) 9.046 ======================= Grid point 205 (88/121) ======================= q-point: ( 0.50 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 2.379 -1.566 0.777) 2.952 0.514 ( 0.761 -1.605 1.035) 2.056 0.586 ( -1.329 -0.944 1.439) 2.174 0.625 ( 3.814 -0.484 -3.332) 5.088 0.657 ( 0.222 -2.457 -0.265) 2.481 0.696 ( -1.136 0.812 0.116) 1.401 0.898 ( 1.333 -6.753 -0.519) 6.903 0.952 ( -2.264 -6.000 -0.001) 6.413 0.993 ( -1.111 -8.160 -0.636) 8.260 1.017 ( -1.075 -4.998 -0.847) 5.182 1.192 ( 0.941 -4.951 1.260) 5.195 1.256 ( 0.229 -9.554 0.251) 9.560 1.277 ( 0.911 -5.119 1.618) 5.446 1.303 ( -0.094 -10.312 0.002) 10.313 1.408 ( 1.079 -5.575 0.047) 5.679 1.420 ( 0.337 -4.932 -0.190) 4.947 1.443 ( 0.726 -4.629 -0.104) 4.687 1.461 ( -0.638 -3.757 -0.480) 3.841 1.515 ( -1.150 -1.541 -1.610) 2.508 1.609 ( 0.265 0.571 1.463) 1.593 1.951 ( -0.160 0.685 -0.208) 0.733 2.004 ( -0.109 0.202 0.150) 0.275 2.099 ( 0.102 1.262 -0.927) 1.570 2.152 ( 0.286 1.554 0.766) 1.756 3.082 ( -1.277 -16.513 -0.049) 16.562 3.143 ( -1.097 -18.917 -0.410) 18.953 3.152 ( -1.402 -16.756 0.531) 16.823 3.196 ( -0.577 -18.851 -0.070) 18.860 3.326 ( -0.439 3.071 -0.721) 3.185 3.341 ( -0.444 1.190 -0.824) 1.514 3.363 ( 0.061 2.441 1.371) 2.800 3.380 ( -0.227 2.168 -0.255) 2.195 3.406 ( -1.280 0.235 0.233) 1.322 3.410 ( -0.762 -0.343 0.640) 1.053 3.513 ( -0.255 0.206 -0.233) 0.402 3.541 ( -0.581 -0.208 -0.204) 0.650 3.584 ( -0.448 0.065 0.006) 0.453 3.595 ( -0.330 -0.073 0.224) 0.406 3.830 ( -0.328 3.552 0.365) 3.586 3.851 ( -0.295 4.431 -0.843) 4.520 3.915 ( -0.325 2.384 0.975) 2.596 3.945 ( 0.022 3.610 -1.151) 3.789 3.977 ( -0.039 3.314 0.645) 3.376 3.996 ( 0.122 4.146 -0.179) 4.151 4.195 ( 0.893 11.780 0.371) 11.819 4.242 ( 1.141 12.363 -1.422) 12.497 4.332 ( 1.204 13.155 1.471) 13.291 4.375 ( 1.836 13.716 -0.452) 13.845 ======================= Grid point 206 (89/121) ======================= q-point: ( 0.58 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -1.330 0.917 0.508) 1.694 0.504 ( -0.655 -0.127 0.267) 0.718 0.624 ( -1.043 -4.061 0.194) 4.197 0.705 ( 0.072 -3.607 0.026) 3.608 0.728 ( 0.900 -5.571 -1.676) 5.887 0.741 ( -1.322 -5.544 -0.058) 5.699 0.987 ( -0.952 -0.496 -0.302) 1.115 1.040 ( 0.155 -5.181 -0.698) 5.230 1.091 ( -1.187 -4.122 0.656) 4.340 1.139 ( 0.065 -7.042 -0.628) 7.070 1.309 ( -0.066 -5.125 1.422) 5.319 1.344 ( 1.284 0.675 0.221) 1.468 1.361 ( 0.415 -4.224 1.687) 4.567 1.416 ( 0.266 0.218 -0.223) 0.410 1.447 ( -0.095 0.930 -1.598) 1.851 1.487 ( -0.926 -5.553 0.604) 5.662 1.532 ( -0.405 -6.975 -0.799) 7.032 1.571 ( 1.238 -2.112 -0.530) 2.505 1.627 ( 0.445 -5.831 0.543) 5.873 1.659 ( -2.060 -6.793 0.213) 7.102 1.951 ( 0.014 -0.761 -0.076) 0.765 2.005 ( -0.004 -0.349 0.127) 0.371 2.080 ( -0.064 0.394 -0.737) 0.838 2.129 ( 0.362 1.029 0.535) 1.215 3.050 ( 0.438 12.630 0.021) 12.637 3.088 ( 0.345 12.611 -0.445) 12.623 3.136 ( -0.464 13.570 0.351) 13.582 3.166 ( -1.174 13.495 0.095) 13.547 3.336 ( -0.094 -0.202 -0.132) 0.259 3.342 ( 0.014 -0.185 -0.125) 0.224 3.424 ( 0.403 -0.966 0.066) 1.048 3.434 ( -0.762 0.109 0.195) 0.794 3.556 ( -0.276 -8.407 0.371) 8.420 3.574 ( -0.143 -2.481 -0.005) 2.485 3.604 ( -0.518 -9.884 -0.679) 9.921 3.632 ( -0.087 -6.725 0.324) 6.734 3.667 ( -0.494 -12.413 0.878) 12.454 3.675 ( -0.383 -8.944 0.240) 8.955 3.752 ( -0.062 2.439 -0.468) 2.484 3.769 ( -0.435 -1.165 -0.808) 1.483 3.877 ( 0.412 2.203 0.335) 2.266 3.895 ( -0.206 0.928 -0.298) 0.997 3.941 ( 0.387 1.994 -0.032) 2.032 3.949 ( 0.204 0.661 -0.009) 0.692 3.977 ( -0.127 8.243 0.215) 8.247 4.001 ( 0.144 10.057 -0.889) 10.097 4.072 ( -0.658 12.188 1.001) 12.247 4.102 ( 0.191 13.279 -0.163) 13.282 ======================= Grid point 207 (90/121) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.016 -4.485 -0.013) 4.485 0.542 ( 0.004 -4.639 -0.315) 4.650 0.714 ( -0.039 -5.255 0.546) 5.284 0.776 ( 0.070 -3.836 0.359) 3.853 0.856 ( -1.340 -6.811 -0.454) 6.957 0.859 ( 1.148 -6.600 -1.002) 6.774 0.978 ( 0.011 0.347 -0.388) 0.520 1.066 ( -0.072 0.321 0.705) 0.779 1.221 ( -0.091 -6.597 -0.115) 6.599 1.264 ( 0.620 -4.766 0.232) 4.811 1.305 ( -0.840 1.633 -0.593) 1.930 1.353 ( 0.679 1.270 1.416) 2.020 1.392 ( 0.077 1.011 0.186) 1.031 1.431 ( 0.506 -1.505 -0.807) 1.781 1.464 ( -0.781 -2.655 -0.401) 2.797 1.513 ( -0.151 0.644 0.797) 1.036 1.658 ( 0.297 -6.073 0.026) 6.080 1.668 ( -0.038 -6.582 -0.873) 6.640 1.727 ( -0.154 -4.412 0.351) 4.429 1.762 ( 0.061 -4.163 0.039) 4.164 1.977 ( -0.015 -1.738 0.037) 1.738 2.014 ( 0.022 -0.447 0.038) 0.449 2.082 ( -0.159 -0.878 -0.445) 0.997 2.117 ( 0.156 0.434 0.346) 0.577 2.735 ( -0.031 18.083 0.018) 18.083 2.777 ( -0.048 17.916 -0.165) 17.917 2.800 ( 0.079 19.195 0.076) 19.195 2.831 ( -0.016 18.940 0.082) 18.940 3.336 ( 0.113 0.041 0.131) 0.178 3.341 ( -0.132 -0.003 -0.250) 0.283 3.408 ( -0.259 1.252 0.233) 1.300 3.411 ( 0.268 1.373 -0.006) 1.398 3.584 ( 0.022 0.684 0.174) 0.706 3.589 ( -0.027 0.914 -0.169) 0.930 3.615 ( -0.040 3.457 0.177) 3.462 3.630 ( 0.076 3.388 -0.098) 3.390 3.748 ( 0.101 4.033 -0.241) 4.042 3.765 ( -0.293 2.632 0.474) 2.691 3.815 ( -0.176 5.289 0.062) 5.293 3.827 ( 0.444 0.690 -1.063) 1.343 3.874 ( -0.335 1.214 0.040) 1.261 3.887 ( 0.948 -3.444 -0.151) 3.575 3.903 ( -0.083 -4.145 0.310) 4.157 3.935 ( 0.374 -0.925 0.354) 1.059 3.937 ( -1.398 -1.421 0.034) 1.994 3.957 ( 0.071 -0.645 0.064) 0.652 3.998 ( -0.758 -6.648 -0.025) 6.691 3.998 ( 1.088 -7.561 -0.016) 7.639 ======================= Grid point 208 (91/121) ======================= q-point: (-0.25 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 1.859 -8.536 0.033) 8.736 0.682 ( 1.830 -8.247 -0.358) 8.455 0.821 ( 0.702 -4.656 0.592) 4.746 0.853 ( 0.681 -3.348 0.209) 3.423 0.975 ( 0.347 -2.995 -0.033) 3.016 0.984 ( 0.222 -5.859 -0.703) 5.905 0.990 ( 0.654 -3.101 -0.528) 3.213 1.060 ( 0.736 0.472 0.597) 1.059 1.204 ( -1.446 2.995 0.135) 3.328 1.307 ( 0.450 2.575 0.655) 2.695 1.330 ( -0.739 -0.411 0.062) 0.848 1.367 ( -0.676 0.125 -0.714) 0.991 1.393 ( -0.681 -6.173 -0.274) 6.217 1.449 ( 1.206 0.777 0.057) 1.435 1.477 ( -0.658 0.503 0.104) 0.834 1.530 ( 1.152 -2.406 0.212) 2.677 1.771 ( 0.132 -4.603 0.322) 4.616 1.785 ( 0.823 -4.437 -0.839) 4.590 1.817 ( -0.194 -4.734 0.649) 4.782 1.838 ( 0.691 -3.476 -0.304) 3.557 2.015 ( -0.065 -1.956 0.205) 1.968 2.023 ( -0.058 -0.592 -0.218) 0.634 2.108 ( -0.071 -1.672 -0.098) 1.677 2.114 ( 0.043 -0.047 0.137) 0.151 2.402 ( -0.130 13.613 0.049) 13.613 2.437 ( 0.258 14.958 -0.088) 14.960 2.448 ( -0.122 14.040 0.048) 14.041 2.476 ( 0.394 15.373 0.021) 15.378 3.340 ( 0.217 -0.336 0.193) 0.445 3.345 ( 0.039 -0.481 -0.271) 0.553 3.385 ( -0.193 0.913 0.098) 0.938 3.390 ( 0.150 0.965 0.038) 0.977 3.549 ( -0.243 2.082 0.022) 2.097 3.556 ( -0.283 2.118 0.045) 2.138 3.563 ( -0.004 1.624 -0.036) 1.624 3.579 ( -0.310 1.680 -0.054) 1.709 3.703 ( -0.697 0.733 -0.125) 1.020 3.710 ( -0.588 1.468 -0.015) 1.582 3.730 ( -0.170 2.769 -0.005) 2.774 3.739 ( -0.127 3.450 0.103) 3.454 3.882 ( 0.505 0.396 -0.005) 0.641 3.897 ( 0.331 0.857 -0.269) 0.957 3.914 ( -0.151 0.933 0.502) 1.070 3.935 ( -0.323 1.702 -0.304) 1.759 4.025 ( 0.410 -4.714 0.036) 4.732 4.039 ( 0.459 -4.512 0.055) 4.535 4.139 ( 0.474 -6.302 -0.075) 6.320 4.147 ( 1.342 -5.805 0.078) 5.958 ======================= Grid point 209 (92/121) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.600 -6.656 -0.543) 6.705 0.842 ( 1.132 -6.164 0.337) 6.276 0.891 ( -0.274 -2.024 0.388) 2.079 0.903 ( -0.218 -1.308 0.067) 1.328 1.011 ( -0.174 -1.646 -0.209) 1.668 1.032 ( -0.012 2.336 0.012) 2.336 1.040 ( -0.134 -1.093 0.147) 1.110 1.087 ( 1.465 -2.868 -0.064) 3.221 1.198 ( -1.411 -3.084 0.314) 3.406 1.254 ( -0.498 2.183 -0.024) 2.239 1.324 ( -1.429 0.512 -0.673) 1.660 1.338 ( -1.432 0.723 0.031) 1.604 1.406 ( 1.506 3.067 -0.232) 3.425 1.447 ( 2.544 2.712 0.418) 3.742 1.517 ( -0.632 -4.671 0.071) 4.714 1.594 ( -0.611 -2.976 0.071) 3.039 1.827 ( -0.472 -1.332 0.340) 1.454 1.839 ( 0.259 -1.046 -0.401) 1.150 1.889 ( -0.393 -1.895 0.277) 1.955 1.893 ( 0.034 -1.185 -0.218) 1.205 2.033 ( -0.058 -0.034 -0.288) 0.295 2.040 ( -0.161 -0.091 0.265) 0.324 2.118 ( 0.003 0.043 -0.079) 0.091 2.133 ( 0.101 -0.093 -0.008) 0.138 2.257 ( -0.219 -0.148 0.005) 0.264 2.280 ( 0.865 -0.124 -0.121) 0.882 2.297 ( -0.147 0.172 0.173) 0.285 2.313 ( 0.937 -0.348 -0.016) 1.000 3.353 ( 0.080 -0.779 0.176) 0.803 3.360 ( 0.087 -0.992 -0.276) 1.033 3.370 ( -0.130 0.506 -0.029) 0.523 3.375 ( -0.097 0.508 0.130) 0.533 3.519 ( -0.285 0.504 -0.009) 0.579 3.527 ( -0.434 0.526 0.027) 0.683 3.540 ( -0.099 0.419 -0.013) 0.431 3.557 ( -0.646 0.231 -0.005) 0.686 3.685 ( -0.171 1.292 0.004) 1.303 3.691 ( -0.247 1.129 -0.037) 1.157 3.696 ( -0.238 -0.134 -0.034) 0.276 3.702 ( 0.119 0.658 0.059) 0.671 3.863 ( -0.507 1.281 -0.025) 1.377 3.887 ( 1.046 0.122 -0.026) 1.053 3.891 ( 0.132 1.867 -0.015) 1.872 3.910 ( 1.223 -0.075 0.071) 1.227 4.091 ( 0.112 -1.670 -0.233) 1.690 4.106 ( -0.171 -2.208 0.331) 2.240 4.239 ( -0.396 -3.341 -0.217) 3.371 4.241 ( -0.053 -3.726 0.128) 3.729 ======================= Grid point 210 (93/121) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.663 3.353 0.720) 3.493 0.890 ( -0.692 2.163 -0.885) 2.437 0.900 ( -3.515 1.145 0.448) 3.724 0.918 ( -3.069 -0.227 -0.403) 3.103 1.004 ( 1.555 -0.889 -0.129) 1.796 1.028 ( -0.917 1.328 -0.249) 1.633 1.041 ( -0.422 1.483 0.739) 1.710 1.134 ( -0.155 -1.902 -0.097) 1.910 1.185 ( -1.713 1.766 0.935) 2.632 1.268 ( -1.157 -1.321 -1.750) 2.479 1.299 ( -0.761 -0.463 0.383) 0.970 1.341 ( 0.622 2.198 0.713) 2.392 1.366 ( 0.165 -1.166 -0.946) 1.510 1.399 ( 1.912 3.174 0.479) 3.736 1.572 ( -1.378 -1.170 0.119) 1.811 1.623 ( -1.499 -0.262 0.058) 1.522 1.822 ( -1.066 1.836 0.346) 2.150 1.832 ( -0.752 1.632 -0.417) 1.845 1.867 ( -0.687 3.497 -0.029) 3.564 1.883 ( -0.667 2.143 0.138) 2.249 2.007 ( -0.093 2.120 -0.096) 2.124 2.020 ( 0.046 1.542 0.124) 1.547 2.097 ( 0.352 1.594 0.001) 1.632 2.110 ( -0.006 1.577 -0.177) 1.587 2.405 ( -0.910 -13.955 -0.041) 13.985 2.443 ( -0.700 -14.423 0.139) 14.441 2.458 ( 0.939 -14.858 -0.088) 14.888 2.489 ( 0.930 -15.421 -0.003) 15.449 3.358 ( -0.345 0.229 -0.246) 0.482 3.361 ( -0.106 0.336 0.307) 0.467 3.381 ( 0.059 -1.126 0.629) 1.291 3.384 ( -0.013 -1.378 -0.734) 1.562 3.533 ( -0.197 -1.699 -0.159) 1.718 3.535 ( 0.056 -2.243 0.154) 2.249 3.555 ( 0.194 -2.053 -0.002) 2.062 3.568 ( -0.562 -2.013 0.033) 2.090 3.660 ( 0.282 1.142 0.021) 1.176 3.670 ( 0.252 1.136 0.002) 1.164 3.708 ( 0.421 -1.125 0.125) 1.207 3.712 ( 0.446 -1.595 -0.135) 1.662 3.850 ( 0.551 0.020 -0.021) 0.552 3.874 ( 1.145 0.330 0.168) 1.203 3.894 ( 0.754 -0.107 -0.313) 0.823 3.921 ( 0.727 -0.145 0.179) 0.763 4.087 ( -1.158 1.905 -0.190) 2.237 4.119 ( -1.437 0.873 0.293) 1.707 4.264 ( -2.126 0.150 1.210) 2.451 4.286 ( -2.373 -1.254 -1.293) 2.979 ======================= Grid point 216 (94/121) ======================= q-point: ( 0.42 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.638 -0.000 -0.236) 0.680 0.471 ( -0.170 -0.000 1.279) 1.290 0.553 ( 2.374 0.000 2.099) 3.169 0.587 ( 2.131 0.000 0.046) 2.131 0.609 ( 1.891 0.000 -0.095) 1.893 0.675 ( 1.781 0.000 -1.480) 2.316 0.713 ( 0.990 0.000 -1.607) 1.887 0.778 ( 0.163 0.000 0.062) 0.174 0.824 ( 2.644 0.000 -0.172) 2.650 0.862 ( 2.154 0.000 0.179) 2.161 0.871 ( -0.243 -0.000 -0.739) 0.778 0.950 ( -1.807 -0.000 -0.764) 1.962 1.072 ( -1.136 -0.000 0.022) 1.137 1.104 ( -1.404 -0.000 -0.014) 1.404 1.160 ( 2.145 0.000 0.426) 2.187 1.286 ( 1.402 0.000 1.769) 2.257 1.428 ( 1.209 0.000 0.328) 1.253 1.477 ( -0.107 -0.000 0.437) 0.450 1.533 ( -1.177 -0.000 -3.115) 3.330 1.635 ( -0.533 -0.000 1.908) 1.982 1.985 ( -0.264 -0.000 -0.667) 0.717 2.016 ( -0.097 -0.000 0.556) 0.564 2.142 ( 0.239 0.000 -0.948) 0.977 2.198 ( -0.165 -0.000 0.891) 0.906 2.438 ( 1.169 0.000 0.074) 1.171 2.488 ( 1.472 0.000 -0.434) 1.535 2.502 ( 1.786 0.000 0.407) 1.832 2.544 ( 2.094 0.000 -0.043) 2.094 3.359 ( 0.207 0.000 -0.037) 0.210 3.366 ( 0.277 0.000 0.001) 0.277 3.399 ( 0.426 0.000 0.066) 0.431 3.411 ( 0.110 0.000 -0.142) 0.180 3.461 ( -1.708 -0.000 0.210) 1.721 3.497 ( -1.630 -0.000 -0.145) 1.637 3.539 ( -0.037 -0.000 0.146) 0.150 3.562 ( -0.107 -0.000 0.026) 0.110 3.621 ( 0.512 0.000 0.032) 0.513 3.624 ( 0.331 0.000 -0.020) 0.331 3.905 ( -0.652 -0.000 0.693) 0.951 3.934 ( -0.480 -0.000 -1.583) 1.654 3.987 ( -1.023 -0.000 1.695) 1.979 4.018 ( -0.468 -0.000 -1.035) 1.136 4.117 ( 0.256 0.000 0.193) 0.320 4.137 ( 0.340 0.000 -0.093) 0.353 4.467 ( 1.027 0.000 0.601) 1.190 4.521 ( 1.244 0.000 -1.755) 2.151 4.633 ( 2.160 0.000 1.972) 2.925 4.686 ( 2.865 0.000 -0.848) 2.988 ======================= Grid point 217 (95/121) ======================= q-point: ( 0.50 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.054 -2.142 1.079) 2.399 0.472 ( 0.414 -1.350 0.090) 1.415 0.568 ( 0.321 -0.263 2.231) 2.269 0.658 ( 2.505 0.206 -1.141) 2.760 0.686 ( 2.651 1.525 -1.309) 3.327 0.737 ( -0.308 -3.822 -0.043) 3.835 0.741 ( -0.045 -3.032 -0.419) 3.061 0.769 ( -0.270 -10.355 -0.385) 10.365 0.859 ( -1.667 -1.049 -0.926) 2.176 0.941 ( -0.560 -2.229 -0.579) 2.370 1.010 ( 0.684 -12.866 -0.298) 12.888 1.037 ( 1.138 -12.803 -0.083) 12.853 1.137 ( 0.483 -3.362 0.646) 3.458 1.197 ( -0.463 -8.579 0.649) 8.616 1.218 ( 0.057 -7.063 -0.018) 7.063 1.300 ( 0.286 -1.393 1.162) 1.837 1.433 ( 1.382 0.266 0.621) 1.538 1.467 ( -0.265 0.850 0.523) 1.032 1.511 ( -0.984 0.700 -3.145) 3.369 1.629 ( 0.003 0.619 1.675) 1.786 1.969 ( -0.090 1.072 -0.428) 1.158 2.011 ( -0.009 0.454 0.344) 0.570 2.125 ( 0.242 1.345 -1.005) 1.696 2.183 ( -0.130 1.280 0.880) 1.558 2.662 ( -0.047 -19.681 0.012) 19.681 2.714 ( -0.118 -19.514 -0.188) 19.515 2.726 ( 0.218 -19.715 0.185) 19.718 2.769 ( 0.253 -19.368 0.007) 19.370 3.356 ( 0.022 0.474 0.004) 0.475 3.361 ( 0.086 0.654 -0.199) 0.689 3.406 ( 0.268 0.140 -0.026) 0.304 3.419 ( -0.135 0.036 -0.078) 0.160 3.426 ( -0.685 2.194 0.338) 2.323 3.461 ( -0.691 2.843 0.046) 2.926 3.531 ( -0.051 0.853 0.120) 0.863 3.553 ( -0.170 0.847 -0.149) 0.877 3.608 ( 0.187 1.541 -0.024) 1.553 3.611 ( -0.090 1.264 0.119) 1.273 3.883 ( -0.283 1.989 0.714) 2.132 3.908 ( -0.261 2.035 -1.515) 2.550 3.963 ( -0.493 2.049 1.620) 2.658 3.994 ( -0.048 1.878 -1.124) 2.190 4.071 ( 0.048 4.478 0.288) 4.488 4.091 ( 0.168 4.410 -0.120) 4.415 4.398 ( 0.640 7.391 0.644) 7.447 4.447 ( 0.575 7.495 -1.626) 7.691 4.562 ( 0.845 8.299 1.690) 8.511 4.612 ( 1.457 8.475 -0.737) 8.631 ======================= Grid point 218 (96/121) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.135 -1.469 1.392) 2.029 0.528 ( 1.016 -1.046 0.851) 1.689 0.573 ( -1.353 -0.513 1.329) 1.965 0.645 ( 0.439 0.070 -2.923) 2.957 0.667 ( 1.841 -0.334 -0.095) 1.874 0.673 ( -1.677 0.068 -0.754) 1.840 0.911 ( -0.100 -5.875 -0.919) 5.947 0.930 ( 0.179 -6.436 0.026) 6.438 0.980 ( -0.675 -8.379 0.225) 8.409 1.008 ( 0.283 -5.311 -1.001) 5.412 1.204 ( 0.069 -4.544 1.079) 4.671 1.258 ( -0.031 -9.527 0.326) 9.533 1.291 ( -0.313 -3.554 1.988) 4.085 1.301 ( 0.415 -11.992 -0.554) 12.012 1.419 ( 0.432 -8.828 0.284) 8.843 1.422 ( -0.027 -4.525 0.138) 4.528 1.450 ( 0.106 -3.609 -1.397) 3.872 1.452 ( 0.098 -0.416 0.353) 0.554 1.496 ( -0.833 -2.953 -1.319) 3.340 1.618 ( 0.266 0.873 1.099) 1.428 1.950 ( 0.076 0.621 -0.204) 0.658 2.004 ( -0.007 0.240 0.136) 0.276 2.096 ( 0.005 1.324 -0.767) 1.530 2.156 ( -0.056 1.430 0.629) 1.563 3.075 ( 0.115 -16.793 0.099) 16.793 3.127 ( -0.372 -16.590 -0.436) 16.600 3.150 ( 0.251 -19.314 0.395) 19.320 3.192 ( -0.020 -19.179 -0.051) 19.179 3.322 ( 0.033 2.829 -0.603) 2.892 3.334 ( -0.190 1.915 -0.309) 1.949 3.365 ( -0.041 3.862 0.594) 3.907 3.383 ( 0.442 1.899 -0.004) 1.950 3.397 ( -0.249 0.120 0.340) 0.438 3.406 ( 0.023 -0.667 0.354) 0.755 3.512 ( 0.079 0.391 -0.137) 0.421 3.535 ( -0.146 -0.028 -0.262) 0.301 3.581 ( -0.065 0.272 0.086) 0.293 3.595 ( 0.139 -0.105 0.166) 0.241 3.830 ( 0.096 3.533 0.541) 3.575 3.845 ( -0.122 4.178 -0.961) 4.289 3.917 ( -0.029 2.416 1.108) 2.658 3.941 ( 0.091 3.441 -1.258) 3.665 3.979 ( -0.062 3.376 0.590) 3.428 3.996 ( 0.008 4.138 -0.191) 4.142 4.203 ( 0.057 12.025 0.443) 12.033 4.243 ( 0.038 12.310 -1.280) 12.376 4.342 ( -0.382 13.642 1.293) 13.708 4.387 ( 0.295 13.986 -0.489) 13.997 ======================= Grid point 219 (97/121) ======================= q-point: (-0.33 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.126 0.302 0.694) 0.767 0.515 ( 2.064 1.083 -0.190) 2.338 0.624 ( 0.914 -4.258 0.182) 4.359 0.707 ( -0.795 -4.792 -0.656) 4.902 0.714 ( -0.661 -4.644 0.090) 4.691 0.745 ( 1.562 -5.527 -0.579) 5.772 0.986 ( 0.905 -0.451 -0.226) 1.036 1.041 ( 0.403 -5.491 -0.825) 5.567 1.086 ( -0.075 -4.215 1.059) 4.347 1.139 ( 0.437 -6.970 -0.632) 7.012 1.315 ( 0.064 -4.933 0.966) 5.027 1.342 ( -0.937 -0.323 0.447) 1.087 1.378 ( 0.355 -4.158 0.834) 4.255 1.419 ( 0.080 1.036 0.775) 1.296 1.430 ( -1.053 1.010 -2.036) 2.505 1.489 ( 0.820 -5.189 0.552) 5.283 1.527 ( -0.119 -7.225 -0.498) 7.244 1.573 ( -0.365 -2.517 -0.648) 2.625 1.627 ( -0.820 -5.796 0.466) 5.873 1.661 ( 2.267 -6.499 0.101) 6.883 1.951 ( 0.073 -0.739 -0.090) 0.748 2.005 ( -0.038 -0.377 0.111) 0.395 2.075 ( -0.210 0.431 -0.394) 0.621 2.132 ( -0.157 0.988 0.271) 1.037 3.050 ( -0.416 12.733 0.012) 12.740 3.085 ( -0.512 12.413 -0.220) 12.426 3.140 ( 0.700 13.855 0.052) 13.872 3.165 ( 1.033 13.317 0.190) 13.358 3.335 ( 0.012 -0.431 -0.068) 0.436 3.342 ( 0.027 -0.024 -0.098) 0.105 3.425 ( -0.596 -0.393 -0.062) 0.717 3.432 ( 0.800 -0.718 0.325) 1.123 3.560 ( 0.582 -7.317 0.142) 7.341 3.574 ( 0.149 -2.666 0.001) 2.670 3.599 ( 0.208 -10.555 -0.334) 10.562 3.635 ( 0.334 -6.497 0.075) 6.506 3.670 ( 0.461 -11.260 0.764) 11.295 3.678 ( 0.675 -11.359 0.067) 11.379 3.750 ( 0.131 2.554 -0.446) 2.596 3.764 ( 0.020 0.099 -0.441) 0.452 3.882 ( -0.223 2.038 0.114) 2.054 3.890 ( 0.090 0.894 -0.127) 0.907 3.941 ( -0.411 1.925 -0.020) 1.968 3.949 ( -0.191 0.760 -0.022) 0.784 3.976 ( -0.159 8.293 0.249) 8.298 4.001 ( 0.485 9.840 -0.896) 9.892 4.068 ( -0.726 12.543 1.157) 12.617 4.107 ( 0.834 12.988 -0.368) 13.020 ======================= Grid point 220 (98/121) ======================= q-point: (-0.25 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 3.838 -4.758 0.080) 6.114 0.569 ( 4.293 -4.660 -0.237) 6.341 0.732 ( 2.378 -5.160 0.293) 5.689 0.792 ( 1.932 -3.834 0.124) 4.295 0.841 ( -0.341 -7.630 -0.204) 7.640 0.874 ( 1.438 -6.381 -0.270) 6.547 0.991 ( 2.067 0.467 -0.240) 2.132 1.078 ( 1.583 0.307 0.480) 1.683 1.219 ( -0.336 -7.381 0.012) 7.388 1.263 ( -1.895 -1.744 -1.401) 2.932 1.277 ( -1.736 -0.378 1.376) 2.247 1.374 ( 1.393 1.576 0.233) 2.116 1.386 ( -1.068 1.453 -0.228) 1.818 1.425 ( -0.880 -1.323 -1.121) 1.945 1.463 ( 0.706 -2.367 0.879) 2.622 1.518 ( 0.567 -0.932 0.555) 1.224 1.667 ( 1.185 -6.032 0.041) 6.147 1.671 ( 1.054 -6.821 -0.696) 6.936 1.732 ( 0.805 -4.320 0.178) 4.397 1.775 ( 1.724 -3.863 0.051) 4.231 1.976 ( -0.073 -1.734 0.042) 1.736 2.013 ( -0.211 -0.400 -0.014) 0.452 2.079 ( -0.232 -0.968 -0.043) 0.997 2.117 ( -0.287 0.377 -0.013) 0.474 2.728 ( -0.839 17.937 0.050) 17.957 2.770 ( -0.871 17.736 -0.064) 17.758 2.807 ( 1.037 19.399 -0.046) 19.427 2.841 ( 1.290 19.207 0.079) 19.251 3.338 ( 0.132 -0.051 -0.153) 0.209 3.341 ( 0.272 -0.007 0.114) 0.295 3.405 ( -0.301 1.218 0.140) 1.262 3.416 ( 0.435 1.477 -0.013) 1.540 3.587 ( 0.318 0.672 0.105) 0.750 3.590 ( 0.262 1.117 -0.093) 1.151 3.612 ( -0.561 3.445 0.136) 3.493 3.629 ( -0.205 3.632 -0.128) 3.640 3.724 ( -2.782 2.761 -0.279) 3.929 3.763 ( -1.161 4.391 0.864) 4.624 3.799 ( -1.434 2.874 -0.764) 3.301 3.832 ( -1.173 5.816 -0.101) 5.934 3.867 ( 0.986 -4.254 -0.308) 4.378 3.901 ( 0.233 -5.885 0.989) 5.972 3.910 ( 1.242 -1.286 -0.744) 1.937 3.920 ( -0.731 0.316 0.243) 0.833 3.943 ( 0.454 -0.819 -0.148) 0.948 3.953 ( 0.049 -2.488 -0.155) 2.494 4.007 ( 2.103 -6.651 0.444) 6.990 4.047 ( 5.922 -5.481 -0.125) 8.070 ======================= Grid point 221 (99/121) ======================= q-point: (-0.17 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 4.523 -7.528 0.039) 8.783 0.723 ( 4.677 -7.114 0.005) 8.514 0.836 ( 1.372 -3.755 0.030) 3.998 0.865 ( 1.078 -2.385 -0.078) 2.619 0.983 ( 0.912 -4.133 0.216) 4.237 0.996 ( 1.498 -4.755 -0.048) 4.985 1.002 ( 1.857 -1.633 -0.184) 2.480 1.081 ( 2.156 0.530 0.374) 2.252 1.175 ( -3.092 2.380 0.111) 3.904 1.300 ( -1.550 2.269 -1.417) 3.092 1.322 ( -0.453 0.100 0.533) 0.706 1.357 ( -0.908 0.508 0.546) 1.175 1.382 ( -0.701 -4.721 -0.254) 4.780 1.452 ( -1.003 -2.964 -0.397) 3.155 1.486 ( 2.183 0.794 0.569) 2.392 1.553 ( 2.122 -0.790 0.184) 2.272 1.778 ( 0.676 -3.921 0.351) 3.995 1.795 ( 1.433 -4.147 -1.026) 4.506 1.821 ( 0.398 -4.446 0.782) 4.531 1.850 ( 1.240 -2.891 -0.219) 3.154 2.013 ( -0.214 -1.773 -0.000) 1.786 2.023 ( -0.045 -0.875 0.085) 0.881 2.105 ( -0.304 -1.471 -0.220) 1.518 2.115 ( 0.011 -0.481 0.017) 0.481 2.400 ( -0.171 13.185 0.053) 13.186 2.439 ( -0.158 13.775 0.012) 13.776 2.450 ( 0.598 14.957 -0.018) 14.969 2.483 ( 0.755 15.664 0.001) 15.682 3.343 ( 0.276 -0.390 -0.216) 0.525 3.347 ( 0.423 -0.344 0.210) 0.585 3.382 ( -0.283 0.886 0.054) 0.932 3.391 ( 0.139 1.131 -0.018) 1.140 3.544 ( -0.580 2.266 -0.010) 2.339 3.550 ( -0.621 2.137 0.073) 2.227 3.563 ( -0.030 1.795 -0.039) 1.796 3.572 ( -0.689 1.767 -0.043) 1.897 3.689 ( -1.318 -0.030 -0.013) 1.318 3.700 ( -1.053 1.143 0.082) 1.556 3.726 ( -0.371 2.448 -0.088) 2.478 3.735 ( -0.700 2.957 0.008) 3.038 3.889 ( -0.166 1.259 -0.060) 1.271 3.897 ( 0.265 0.264 0.004) 0.375 3.919 ( 0.523 0.344 0.218) 0.663 3.926 ( -0.795 1.179 -0.171) 1.432 4.037 ( 1.418 -4.517 0.320) 4.746 4.047 ( 0.998 -3.909 -0.415) 4.056 4.151 ( 1.566 -5.343 0.020) 5.568 4.177 ( 3.397 -3.936 0.090) 5.200 ======================= Grid point 222 (100/121) ======================= q-point: (-0.08 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.939 -3.878 -0.145) 3.993 0.859 ( 1.163 -3.600 -0.037) 3.784 0.888 ( -0.269 -1.198 0.136) 1.235 0.897 ( -0.756 -0.648 -0.286) 1.036 1.011 ( 0.210 -0.330 0.353) 0.526 1.031 ( -0.188 0.901 0.027) 0.921 1.040 ( -0.018 -0.611 0.216) 0.648 1.105 ( 1.416 -1.488 -0.233) 2.067 1.188 ( -0.550 -3.047 0.977) 3.246 1.239 ( -1.324 2.066 -0.695) 2.550 1.302 ( -1.368 1.415 -1.228) 2.319 1.323 ( -1.087 -0.208 0.744) 1.333 1.429 ( 2.079 2.534 -0.058) 3.278 1.479 ( 2.174 1.973 0.207) 2.943 1.506 ( -1.174 -3.820 0.114) 3.998 1.585 ( -0.792 -2.034 0.121) 2.186 1.823 ( -0.471 -0.874 0.552) 1.136 1.839 ( 0.199 -0.383 -0.850) 0.953 1.885 ( -0.361 -1.376 0.583) 1.538 1.892 ( 0.103 -0.502 -0.280) 0.584 2.030 ( -0.168 -0.014 -0.247) 0.299 2.040 ( 0.001 -0.015 0.359) 0.359 2.118 ( -0.015 0.005 -0.126) 0.127 2.134 ( 0.010 -0.061 -0.229) 0.237 2.256 ( -0.003 0.107 -0.016) 0.108 2.288 ( 0.450 0.480 -0.089) 0.664 2.299 ( 0.298 -0.529 0.188) 0.636 2.324 ( 0.673 -0.416 -0.019) 0.792 3.354 ( 0.032 -0.454 -0.005) 0.456 3.361 ( 0.165 -0.791 -0.106) 0.815 3.368 ( -0.143 0.340 -0.035) 0.371 3.374 ( -0.109 0.518 0.158) 0.553 3.516 ( -0.272 0.173 0.042) 0.325 3.521 ( -0.425 0.415 -0.055) 0.596 3.539 ( -0.019 0.262 -0.007) 0.263 3.548 ( -0.712 0.148 0.022) 0.727 3.683 ( -0.211 0.807 0.028) 0.835 3.687 ( -0.219 0.423 -0.028) 0.477 3.694 ( -0.040 -0.028 0.065) 0.081 3.702 ( -0.019 0.398 -0.067) 0.404 3.859 ( -0.157 0.917 -0.010) 0.931 3.891 ( 0.097 0.773 -0.283) 0.829 3.902 ( 0.885 0.427 0.348) 1.042 3.925 ( 0.992 -0.131 -0.030) 1.001 4.091 ( 0.053 -0.758 -0.345) 0.835 4.106 ( -0.123 -1.499 0.313) 1.536 4.229 ( -0.527 -2.355 -0.661) 2.502 4.245 ( 0.076 -1.775 0.662) 1.896 ======================= Grid point 229 (101/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.006 0.000 0.466) 0.466 0.468 ( -0.121 -0.000 0.231) 0.261 0.576 ( -0.790 -0.000 2.479) 2.602 0.604 ( 0.457 0.000 0.483) 0.665 0.615 ( -0.525 -0.000 -0.579) 0.781 0.696 ( 1.705 0.000 -1.003) 1.978 0.714 ( 0.592 0.000 -1.159) 1.301 0.770 ( -0.898 -0.000 -0.589) 1.074 0.847 ( 0.483 0.000 0.270) 0.553 0.859 ( -0.961 -0.000 -0.958) 1.357 0.872 ( -0.440 -0.000 -0.236) 0.499 0.938 ( 0.249 0.000 -0.583) 0.634 1.065 ( 0.053 0.000 0.064) 0.084 1.094 ( -0.035 -0.000 -0.035) 0.049 1.177 ( 0.170 0.000 0.402) 0.437 1.299 ( -0.478 -0.000 1.503) 1.577 1.449 ( 1.808 0.000 1.070) 2.101 1.475 ( -0.565 -0.000 0.553) 0.791 1.506 ( -0.981 -0.000 -3.432) 3.570 1.639 ( 0.130 0.000 1.457) 1.463 1.981 ( -0.059 -0.000 -0.461) 0.465 2.018 ( 0.108 0.000 0.362) 0.377 2.142 ( 0.363 0.000 -1.004) 1.067 2.198 ( -0.355 -0.000 0.934) 0.999 2.446 ( 0.021 0.000 0.090) 0.093 2.494 ( -0.078 -0.000 -0.372) 0.380 2.515 ( 0.066 0.000 0.332) 0.338 2.557 ( -0.007 -0.000 -0.045) 0.046 3.360 ( -0.073 -0.000 0.037) 0.082 3.369 ( 0.091 0.000 -0.080) 0.121 3.404 ( 0.005 0.000 0.070) 0.070 3.412 ( -0.010 -0.000 -0.152) 0.152 3.450 ( 0.017 0.000 0.202) 0.202 3.486 ( -0.017 -0.000 -0.130) 0.131 3.539 ( -0.027 -0.000 0.144) 0.146 3.561 ( 0.013 0.000 0.020) 0.024 3.624 ( 0.031 0.000 0.055) 0.063 3.626 ( -0.028 -0.000 -0.045) 0.053 3.904 ( -0.035 -0.000 0.834) 0.834 3.926 ( 0.075 0.000 -1.539) 1.541 3.985 ( -0.281 -0.000 1.596) 1.621 4.013 ( 0.262 0.000 -1.096) 1.127 4.119 ( -0.090 -0.000 0.177) 0.198 4.139 ( 0.053 0.000 -0.092) 0.106 4.477 ( 0.154 0.000 0.773) 0.788 4.521 ( -0.092 -0.000 -1.643) 1.646 4.652 ( -0.332 -0.000 1.713) 1.745 4.702 ( 0.281 0.000 -0.866) 0.910 ======================= Grid point 230 (102/121) ======================= q-point: (-0.42 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -0.464 -2.303 0.721) 2.458 0.477 ( 0.557 -1.655 -0.020) 1.746 0.563 ( -2.238 0.252 2.356) 3.259 0.661 ( -2.166 0.025 -1.360) 2.558 0.697 ( -0.856 1.937 -2.093) 2.977 0.726 ( 0.650 2.455 0.649) 2.621 0.740 ( -0.219 -9.982 -0.217) 9.987 0.771 ( 0.487 -9.984 -0.570) 10.012 0.845 ( 0.094 -1.137 0.095) 1.144 0.940 ( 0.822 -1.775 -0.436) 2.004 1.007 ( -1.025 -13.111 -0.121) 13.152 1.037 ( -0.872 -12.828 -0.151) 12.859 1.141 ( -0.221 -3.714 0.335) 3.735 1.200 ( 0.616 -8.544 0.462) 8.579 1.217 ( -0.216 -7.046 -0.014) 7.050 1.300 ( -0.929 -1.278 1.070) 1.908 1.456 ( 1.647 0.579 0.661) 1.867 1.463 ( -0.685 0.789 0.452) 1.138 1.488 ( -0.850 0.544 -2.490) 2.686 1.636 ( 0.312 0.609 0.969) 1.186 1.968 ( 0.105 0.982 -0.308) 1.034 2.013 ( 0.138 0.527 0.188) 0.576 2.124 ( 0.218 1.450 -0.928) 1.736 2.183 ( -0.383 1.208 0.853) 1.528 2.662 ( 0.087 -19.660 -0.020) 19.661 2.712 ( -0.128 -19.638 0.044) 19.639 2.728 ( -0.017 -19.594 -0.020) 19.594 2.769 ( -0.243 -19.385 0.005) 19.386 3.354 ( -0.225 0.523 0.056) 0.573 3.361 ( 0.107 0.734 -0.186) 0.765 3.407 ( -0.217 0.050 -0.069) 0.234 3.418 ( 0.036 -0.090 -0.015) 0.098 3.428 ( 0.840 2.313 0.216) 2.470 3.461 ( 0.635 2.772 0.047) 2.844 3.531 ( 0.050 0.831 0.092) 0.837 3.552 ( 0.053 0.964 -0.062) 0.967 3.608 ( -0.201 1.631 -0.019) 1.643 3.612 ( 0.183 1.112 0.054) 1.128 3.886 ( 0.294 1.954 0.897) 2.170 3.902 ( 0.293 2.087 -1.442) 2.553 3.967 ( 0.051 1.981 1.472) 2.468 3.993 ( 0.520 1.953 -1.185) 2.343 4.071 ( -0.225 4.430 0.287) 4.445 4.091 ( -0.089 4.437 -0.122) 4.440 4.402 ( -0.399 7.448 0.554) 7.479 4.440 ( -0.721 7.429 -1.296) 7.576 4.564 ( -1.465 8.346 1.484) 8.602 4.612 ( -0.916 8.439 -0.774) 8.524 ======================= Grid point 231 (103/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -2.859 -0.288 0.783) 2.978 0.531 ( -0.389 -3.388 -0.706) 3.483 0.575 ( 0.041 -2.350 2.164) 3.194 0.607 ( -3.953 1.964 -1.647) 4.712 0.666 ( 0.831 -2.135 -1.099) 2.541 0.693 ( 1.704 0.376 0.231) 1.760 0.897 ( -0.807 -6.725 -0.474) 6.790 0.948 ( 1.642 -5.480 0.201) 5.724 0.981 ( 0.571 -8.435 0.269) 8.458 1.016 ( 1.511 -5.552 -0.617) 5.787 1.201 ( -1.034 -5.227 0.538) 5.356 1.257 ( -0.266 -9.246 0.240) 9.252 1.282 ( -1.338 -7.992 0.396) 8.113 1.310 ( 0.475 -8.078 0.362) 8.100 1.413 ( -1.036 -7.355 -0.004) 7.428 1.424 ( -0.277 -6.284 0.023) 6.290 1.441 ( -0.409 0.106 -0.995) 1.081 1.459 ( 0.713 -2.202 -0.613) 2.395 1.491 ( 0.427 -4.204 0.713) 4.285 1.623 ( 0.117 0.612 0.252) 0.672 1.951 ( 0.290 0.600 -0.215) 0.700 2.005 ( 0.100 0.307 0.086) 0.334 2.093 ( -0.041 1.406 -0.454) 1.478 2.155 ( -0.425 1.418 0.437) 1.544 3.084 ( 1.161 -16.894 -0.157) 16.934 3.134 ( 1.308 -16.592 0.333) 16.647 3.160 ( 1.369 -18.860 -0.138) 18.911 3.195 ( 0.528 -18.713 -0.014) 18.721 3.320 ( 0.148 2.949 -0.256) 2.964 3.335 ( 0.263 1.383 -0.058) 1.409 3.371 ( 0.753 4.155 0.332) 4.236 3.384 ( -0.160 0.952 -0.495) 1.085 3.401 ( 0.459 1.137 0.501) 1.325 3.417 ( 1.679 -2.097 0.207) 2.694 3.513 ( 0.139 0.663 -0.210) 0.709 3.537 ( 0.568 -0.391 0.071) 0.693 3.583 ( 0.297 0.071 0.097) 0.321 3.599 ( 0.519 -0.096 -0.080) 0.534 3.836 ( 0.408 3.710 0.632) 3.785 3.842 ( 0.217 4.127 -0.828) 4.215 3.922 ( 0.177 2.546 0.927) 2.715 3.938 ( 0.235 3.564 -1.085) 3.733 3.980 ( -0.123 3.402 0.418) 3.430 3.995 ( -0.089 4.149 -0.142) 4.152 4.199 ( -0.869 12.008 0.240) 12.042 4.233 ( -1.056 12.037 -0.881) 12.116 4.333 ( -1.945 13.473 1.226) 13.668 4.379 ( -1.188 13.491 -0.612) 13.557 ======================= Grid point 232 (104/121) ======================= q-point: (-0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 2.295 -2.437 0.618) 3.405 0.546 ( 3.008 -0.382 -0.849) 3.149 0.645 ( 2.358 -5.402 0.021) 5.894 0.678 ( -1.935 -7.002 0.148) 7.266 0.734 ( 2.468 -3.719 0.326) 4.476 0.759 ( 0.978 -5.527 -0.200) 5.617 1.004 ( 1.867 -1.496 -0.068) 2.393 1.040 ( 0.123 -6.110 -0.798) 6.163 1.099 ( 1.236 -3.326 1.314) 3.784 1.145 ( 0.958 -6.422 -0.488) 6.512 1.309 ( -1.660 -0.086 0.335) 1.696 1.336 ( 0.033 -4.362 0.018) 4.362 1.376 ( -0.246 -4.466 -0.883) 4.559 1.403 ( -1.345 0.264 -0.289) 1.401 1.431 ( 0.235 0.133 0.757) 0.803 1.500 ( -0.310 -2.216 0.864) 2.398 1.528 ( 0.880 -8.149 -0.620) 8.219 1.563 ( -0.249 -4.326 -0.239) 4.340 1.631 ( 1.019 -7.065 0.090) 7.138 1.689 ( 2.022 -6.033 -0.106) 6.364 1.952 ( 0.148 -0.600 -0.125) 0.630 2.005 ( -0.089 -0.253 0.079) 0.280 2.072 ( -0.233 0.462 0.107) 0.528 2.127 ( -0.603 1.013 -0.081) 1.181 3.045 ( -0.194 13.334 -0.015) 13.335 3.079 ( -0.169 13.041 0.014) 13.042 3.150 ( 0.882 13.393 -0.221) 13.424 3.183 ( 1.383 13.176 0.241) 13.251 3.337 ( 0.185 -0.421 0.070) 0.466 3.342 ( 0.063 -0.113 -0.064) 0.144 3.419 ( -0.314 -0.691 -0.045) 0.761 3.445 ( 1.011 0.284 0.290) 1.089 3.569 ( 0.922 -5.530 -0.260) 5.612 3.576 ( 0.096 -2.179 -0.045) 2.182 3.608 ( 1.342 -12.370 0.232) 12.444 3.642 ( 0.913 -5.709 -0.188) 5.784 3.682 ( 1.144 -7.198 0.252) 7.293 3.692 ( 1.663 -12.621 -0.075) 12.730 3.751 ( 0.175 2.211 -0.396) 2.253 3.767 ( 0.553 0.563 0.360) 0.867 3.873 ( -0.826 3.160 -0.182) 3.271 3.895 ( 0.215 0.691 0.002) 0.723 3.931 ( -1.082 2.858 -0.106) 3.058 3.945 ( -0.374 0.958 0.078) 1.032 3.975 ( -0.163 7.565 0.229) 7.571 4.005 ( 0.681 7.734 -0.912) 7.817 4.064 ( -0.622 11.117 1.365) 11.218 4.120 ( 1.780 10.184 -0.579) 10.355 ======================= Grid point 233 (105/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 6.084 -5.345 0.241) 8.102 0.637 ( 6.526 -5.143 0.035) 8.309 0.765 ( 2.461 -4.674 0.039) 5.282 0.810 ( 1.276 -5.060 -0.569) 5.249 0.861 ( 3.197 -7.045 0.675) 7.766 0.891 ( 1.524 -6.749 -0.111) 6.920 1.024 ( 3.122 0.513 0.107) 3.165 1.106 ( 2.613 -0.073 0.225) 2.623 1.196 ( -3.890 -3.338 -0.335) 5.137 1.234 ( -0.462 -0.284 -0.078) 0.548 1.276 ( 0.043 -4.999 0.637) 5.039 1.355 ( -2.290 1.540 -2.313) 3.601 1.389 ( 0.258 1.645 0.560) 1.756 1.417 ( -0.279 0.414 0.582) 0.767 1.480 ( 1.508 -2.832 0.623) 3.269 1.530 ( 1.123 -3.260 0.051) 3.449 1.685 ( 1.903 -6.597 -0.483) 6.883 1.690 ( 2.007 -6.299 0.254) 6.616 1.747 ( 1.420 -4.185 0.010) 4.420 1.797 ( 1.667 -3.649 -0.014) 4.012 1.975 ( -0.137 -1.696 0.030) 1.702 2.009 ( -0.401 -0.356 -0.021) 0.537 2.077 ( -0.262 -0.949 0.353) 1.045 2.110 ( -0.593 0.191 -0.403) 0.742 2.721 ( -0.262 17.890 0.096) 17.892 2.761 ( -0.379 17.739 -0.089) 17.743 2.819 ( 0.809 19.502 -0.022) 19.518 2.856 ( 0.887 19.484 0.041) 19.504 3.339 ( 0.200 -0.118 -0.191) 0.301 3.347 ( 0.504 -0.155 0.228) 0.575 3.402 ( -0.269 1.217 0.138) 1.254 3.421 ( 0.451 1.674 -0.143) 1.740 3.592 ( 0.449 0.668 -0.155) 0.819 3.595 ( 0.489 1.826 0.102) 1.893 3.604 ( -0.712 3.328 0.093) 3.404 3.625 ( -0.291 4.040 -0.182) 4.054 3.690 ( -2.476 2.248 0.109) 3.346 3.743 ( -2.301 4.905 0.348) 5.429 3.779 ( -1.315 2.561 -0.401) 2.907 3.806 ( -2.180 4.308 -0.055) 4.828 3.881 ( 0.677 -3.624 -0.289) 3.698 3.904 ( -0.689 -0.838 0.160) 1.097 3.914 ( -0.095 -0.787 0.446) 0.910 3.922 ( -0.023 -1.652 -0.251) 1.671 3.945 ( 1.639 -3.067 0.607) 3.530 3.968 ( 1.990 -3.597 -0.823) 4.192 4.049 ( 4.016 -6.106 0.691) 7.341 4.128 ( 7.186 -4.262 -0.413) 8.365 ======================= Grid point 234 (106/121) ======================= q-point: (-0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 5.459 -5.752 0.231) 7.933 0.787 ( 5.248 -5.271 0.248) 7.442 0.851 ( 1.235 -2.826 -0.262) 3.095 0.877 ( 1.026 -1.395 -0.489) 1.799 0.999 ( 1.235 -3.797 0.330) 4.007 1.011 ( 1.373 -2.341 0.162) 2.719 1.035 ( 2.436 -1.050 0.442) 2.689 1.106 ( 1.220 1.717 -0.447) 2.153 1.146 ( -0.777 -0.449 0.724) 1.153 1.273 ( -1.437 1.795 -1.714) 2.868 1.316 ( -0.512 0.675 -0.428) 0.949 1.348 ( -1.072 1.286 1.221) 2.072 1.375 ( -0.481 -3.717 -0.150) 3.751 1.436 ( -1.301 -4.411 0.053) 4.600 1.518 ( 2.553 0.793 0.372) 2.699 1.580 ( 2.152 -0.236 -0.019) 2.165 1.790 ( 0.982 -3.038 0.347) 3.212 1.811 ( 1.715 -3.312 -1.051) 3.875 1.832 ( 0.802 -4.020 0.830) 4.182 1.865 ( 1.310 -2.345 -0.152) 2.690 2.010 ( -0.152 -1.603 -0.128) 1.615 2.022 ( -0.164 -1.329 0.264) 1.365 2.100 ( -0.303 -1.347 -0.156) 1.390 2.114 ( -0.141 -0.939 -0.157) 0.963 2.399 ( -0.015 13.050 0.003) 13.050 2.435 ( -0.274 13.196 0.057) 13.199 2.459 ( 0.727 15.312 -0.030) 15.330 2.492 ( 0.592 15.710 0.004) 15.721 3.346 ( 0.366 -0.412 -0.200) 0.586 3.354 ( 0.540 -0.184 0.273) 0.632 3.379 ( -0.336 0.913 0.033) 0.973 3.393 ( 0.112 1.303 -0.132) 1.314 3.536 ( -0.673 2.207 -0.086) 2.309 3.543 ( -0.484 2.218 0.119) 2.274 3.562 ( -0.102 1.976 -0.046) 1.979 3.564 ( -0.461 1.980 0.007) 2.033 3.675 ( -0.939 -0.589 0.168) 1.121 3.686 ( -1.109 0.322 -0.057) 1.156 3.721 ( -0.533 1.812 -0.076) 1.890 3.725 ( -0.740 2.492 0.001) 2.600 3.876 ( -1.359 1.079 -0.033) 1.736 3.901 ( -0.423 0.311 0.075) 0.530 3.914 ( -0.566 0.391 -0.215) 0.721 3.927 ( 0.269 -0.138 0.184) 0.354 4.059 ( 1.512 -3.556 -0.191) 3.869 4.062 ( 1.908 -3.093 0.145) 3.637 4.177 ( 2.468 -3.742 0.239) 4.489 4.225 ( 4.162 -1.597 -0.200) 4.462 ======================= Grid point 242 (107/121) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -0.429 -0.000 0.066) 0.434 0.481 ( 2.115 0.000 0.434) 2.159 0.557 ( -3.506 -0.000 2.189) 4.133 0.592 ( -2.591 -0.000 -0.458) 2.631 0.602 ( -1.410 -0.000 0.510) 1.500 0.675 ( -3.207 -0.000 -2.383) 3.995 0.722 ( 0.611 0.000 -1.856) 1.954 0.768 ( 0.219 0.000 0.782) 0.812 0.829 ( -3.036 -0.000 -0.551) 3.086 0.847 ( -0.582 -0.000 0.976) 1.137 0.858 ( -1.761 -0.000 0.498) 1.830 0.951 ( 2.201 0.000 -0.689) 2.306 1.073 ( 1.087 0.000 -0.027) 1.087 1.103 ( 1.426 0.000 0.019) 1.426 1.165 ( -2.066 -0.000 0.025) 2.067 1.288 ( -2.017 -0.000 1.410) 2.461 1.465 ( -0.928 -0.000 -1.260) 1.565 1.479 ( 1.832 0.000 0.317) 1.859 1.485 ( -0.524 -0.000 -0.256) 0.583 1.648 ( 0.702 0.000 0.585) 0.914 1.980 ( 0.148 0.000 -0.209) 0.256 2.021 ( 0.280 0.000 0.081) 0.292 2.143 ( 0.385 0.000 -1.021) 1.091 2.197 ( -0.444 -0.000 0.985) 1.080 2.438 ( -1.175 -0.000 0.015) 1.175 2.484 ( -1.452 -0.000 -0.077) 1.454 2.505 ( -1.782 -0.000 0.071) 1.783 2.544 ( -2.111 -0.000 -0.010) 2.111 3.358 ( -0.369 -0.000 0.065) 0.375 3.368 ( -0.073 -0.000 -0.110) 0.132 3.400 ( -0.403 -0.000 0.025) 0.404 3.410 ( -0.133 -0.000 -0.055) 0.144 3.463 ( 1.742 0.000 0.086) 1.744 3.496 ( 1.591 0.000 -0.057) 1.592 3.539 ( -0.025 -0.000 0.118) 0.121 3.562 ( 0.131 0.000 -0.006) 0.132 3.621 ( -0.517 -0.000 -0.013) 0.517 3.624 ( -0.319 -0.000 0.014) 0.319 3.911 ( 0.534 0.000 1.003) 1.136 3.925 ( 0.752 0.000 -1.463) 1.645 3.992 ( 0.358 0.000 1.430) 1.474 4.016 ( 1.047 0.000 -1.135) 1.544 4.117 ( -0.430 -0.000 0.235) 0.490 4.138 ( -0.239 -0.000 -0.122) 0.268 4.475 ( -0.904 -0.000 0.388) 0.984 4.507 ( -1.364 -0.000 -1.012) 1.699 4.639 ( -2.742 -0.000 1.515) 3.132 4.686 ( -2.274 -0.000 -0.920) 2.453 ======================= Grid point 243 (108/121) ======================= q-point: (-0.33 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.664 -1.923 0.534) 2.598 0.474 ( -1.663 0.393 -1.086) 2.025 0.537 ( -3.500 -0.488 1.472) 3.828 0.609 ( -4.345 -0.118 0.098) 4.348 0.665 ( -2.716 -0.715 -1.547) 3.206 0.730 ( -0.687 0.301 0.474) 0.887 0.736 ( -0.277 -7.068 -1.293) 7.191 0.776 ( 0.151 -9.389 0.130) 9.391 0.861 ( 1.566 -2.466 1.555) 3.310 0.955 ( 1.494 -3.163 -0.722) 3.572 0.989 ( -1.307 -12.836 0.369) 12.907 1.019 ( -1.731 -12.815 -0.326) 12.935 1.132 ( -1.307 -2.335 -0.115) 2.678 1.211 ( 0.725 -8.468 -0.182) 8.501 1.217 ( 0.465 -7.698 0.466) 7.726 1.288 ( -1.404 -2.139 0.931) 2.723 1.446 ( -1.183 0.820 -1.816) 2.318 1.468 ( -0.499 0.761 -1.193) 1.500 1.487 ( 1.221 0.623 2.296) 2.674 1.643 ( 0.280 0.980 0.042) 1.020 1.969 ( 0.288 0.911 -0.154) 0.968 2.016 ( 0.289 0.594 -0.030) 0.661 2.123 ( 0.157 1.527 -0.778) 1.721 2.180 ( -0.554 1.246 0.810) 1.586 2.663 ( 0.065 -20.574 -0.050) 20.574 2.711 ( -0.254 -20.545 0.202) 20.548 2.727 ( 0.200 -21.370 -0.169) 21.372 2.768 ( 0.392 -21.150 0.015) 21.153 3.351 ( -0.391 0.431 0.102) 0.591 3.362 ( 0.049 0.589 -0.132) 0.605 3.405 ( 0.088 -0.197 -0.040) 0.220 3.420 ( 0.205 -0.514 0.049) 0.555 3.444 ( 1.510 2.864 -0.083) 3.239 3.474 ( 1.475 3.208 0.080) 3.532 3.532 ( 0.088 0.750 0.040) 0.756 3.554 ( 0.223 0.907 0.113) 0.941 3.604 ( -0.263 1.332 -0.062) 1.359 3.615 ( 0.275 0.656 -0.026) 0.712 3.897 ( 0.710 1.999 1.019) 2.353 3.904 ( 0.907 2.220 -1.288) 2.722 3.975 ( 0.443 2.094 1.202) 2.455 3.998 ( 1.096 2.241 -1.146) 2.745 4.068 ( -0.361 4.278 0.337) 4.306 4.089 ( -0.224 4.376 -0.137) 4.383 4.392 ( -1.491 7.509 -0.057) 7.655 4.420 ( -1.956 7.344 -0.388) 7.610 4.539 ( -3.480 8.142 1.289) 8.948 4.584 ( -3.142 8.111 -0.875) 8.742 ======================= Grid point 244 (109/121) ======================= q-point: (-0.25 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -3.095 -2.266 0.007) 3.836 0.520 ( -1.420 -5.939 -0.210) 6.110 0.544 ( -3.787 -1.180 -1.226) 4.152 0.590 ( -0.005 -1.410 2.024) 2.466 0.674 ( 0.812 -3.188 -0.710) 3.365 0.709 ( 0.928 -0.078 -0.079) 0.934 0.891 ( 0.122 -6.979 -0.568) 7.003 0.966 ( 0.701 -5.311 1.531) 5.572 0.991 ( 0.707 -8.789 -0.326) 8.824 1.038 ( 2.379 -5.497 -0.379) 6.001 1.186 ( -1.378 -6.345 0.097) 6.493 1.255 ( -0.242 -8.549 -0.030) 8.552 1.269 ( -0.752 -9.716 0.193) 9.747 1.314 ( 0.220 -7.835 0.072) 7.838 1.397 ( -1.401 -3.743 -0.234) 4.004 1.415 ( -0.945 -5.415 -0.561) 5.525 1.432 ( -0.831 -3.186 -0.284) 3.305 1.461 ( -0.238 -3.489 -0.302) 3.510 1.508 ( 1.221 -3.251 1.593) 3.820 1.624 ( 0.216 -0.106 -0.606) 0.652 1.955 ( 0.442 0.615 -0.202) 0.784 2.006 ( 0.172 0.395 0.005) 0.431 2.092 ( -0.058 1.433 -0.126) 1.440 2.149 ( -0.683 1.533 0.254) 1.698 3.102 ( 1.823 -16.938 -0.095) 17.036 3.152 ( 1.056 -18.132 0.188) 18.164 3.188 ( 3.350 -16.159 -0.098) 16.503 3.206 ( 1.398 -16.273 -0.020) 16.333 3.327 ( 0.898 2.635 0.518) 2.832 3.338 ( 0.131 0.742 0.006) 0.753 3.377 ( -0.286 1.924 -1.051) 2.211 3.388 ( 1.717 2.230 0.317) 2.832 3.410 ( 0.603 0.925 0.499) 1.212 3.449 ( 3.522 -4.106 -0.339) 5.420 3.515 ( 0.277 0.783 0.067) 0.834 3.547 ( 0.780 -1.094 0.222) 1.362 3.588 ( 0.407 -0.460 0.040) 0.616 3.609 ( 1.293 -0.307 -0.235) 1.350 3.843 ( 0.627 4.308 -0.566) 4.390 3.845 ( 0.408 4.008 0.608) 4.074 3.927 ( 0.317 2.887 0.215) 2.912 3.939 ( 0.539 3.706 -0.389) 3.765 3.981 ( 0.078 3.496 0.221) 3.504 3.994 ( 0.097 4.120 -0.060) 4.122 4.183 ( -1.710 11.611 -0.088) 11.736 4.211 ( -2.114 11.651 -0.239) 11.844 4.305 ( -3.200 12.730 1.190) 13.180 4.353 ( -2.465 12.211 -0.884) 12.489 ======================= Grid point 245 (110/121) ======================= q-point: (-0.17 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 3.414 -5.231 0.988) 6.324 0.573 ( 1.811 -4.476 -0.352) 4.841 0.669 ( 1.502 -8.643 -0.575) 8.792 0.681 ( 2.385 -5.324 0.767) 5.884 0.759 ( 0.575 -5.312 -1.012) 5.438 0.776 ( 2.696 -5.216 0.458) 5.890 1.019 ( 0.228 -4.759 -0.139) 4.766 1.047 ( 1.377 -3.758 0.171) 4.006 1.119 ( 1.109 -3.710 0.901) 3.976 1.159 ( 1.661 -5.259 -0.338) 5.526 1.286 ( -1.802 2.923 -0.066) 3.435 1.336 ( 0.402 -5.974 -1.847) 6.265 1.375 ( 0.402 -3.915 0.431) 3.959 1.395 ( -0.207 -1.523 0.521) 1.623 1.432 ( -0.291 -1.174 0.228) 1.231 1.482 ( -2.348 -0.644 0.431) 2.472 1.543 ( 1.627 -8.764 -0.209) 8.916 1.571 ( 1.075 -7.178 -0.022) 7.258 1.645 ( 1.057 -7.196 0.218) 7.277 1.708 ( 1.129 -6.102 -0.381) 6.218 1.954 ( 0.257 -0.373 -0.140) 0.474 2.004 ( -0.146 -0.020 0.040) 0.152 2.071 ( -0.181 0.468 0.469) 0.687 2.117 ( -0.798 1.089 -0.344) 1.393 3.048 ( 0.834 13.825 -0.028) 13.850 3.084 ( 0.917 13.846 0.139) 13.877 3.156 ( 0.107 12.904 -0.155) 12.906 3.194 ( 0.237 13.029 0.025) 13.031 3.339 ( 0.107 -0.038 -0.025) 0.117 3.344 ( 0.261 -0.528 0.076) 0.594 3.417 ( 0.067 -0.457 0.205) 0.505 3.457 ( 0.829 1.200 -0.102) 1.462 3.574 ( -0.179 -3.645 -0.205) 3.656 3.582 ( 0.971 -3.159 0.200) 3.311 3.631 ( 1.928 -11.477 0.266) 11.641 3.656 ( 1.707 -4.591 -0.383) 4.913 3.698 ( 1.475 -5.401 -0.471) 5.619 3.713 ( 1.643 -7.862 -0.647) 8.058 3.752 ( 0.176 2.027 -0.064) 2.035 3.781 ( 1.259 -1.002 1.105) 1.952 3.865 ( -0.615 3.336 0.631) 3.450 3.892 ( -0.530 2.858 -0.579) 2.963 3.916 ( -1.324 3.483 0.092) 3.727 3.943 ( -0.159 1.798 0.185) 1.815 3.974 ( -0.064 6.159 0.273) 6.165 4.009 ( 0.356 5.560 -0.891) 5.642 4.065 ( -0.125 7.633 1.599) 7.800 4.148 ( 3.303 4.893 -1.193) 6.023 ======================= Grid point 246 (111/121) ======================= q-point: (-0.08 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 4.526 -6.446 0.709) 7.908 0.718 ( 6.173 -5.745 0.657) 8.459 0.796 ( 3.113 -4.088 -0.317) 5.148 0.829 ( 2.511 -5.074 -1.012) 5.751 0.899 ( 2.007 -6.993 -0.331) 7.283 0.916 ( 2.758 -6.908 0.634) 7.465 1.055 ( 1.044 0.095 0.290) 1.088 1.133 ( 0.802 -1.895 0.036) 2.058 1.158 ( -0.293 1.534 -0.124) 1.566 1.236 ( 0.161 -2.549 0.465) 2.596 1.279 ( 0.152 -5.248 0.277) 5.258 1.321 ( -1.417 1.770 -2.004) 3.026 1.391 ( -0.023 1.960 0.133) 1.965 1.415 ( -0.518 1.528 0.643) 1.736 1.504 ( 1.982 -3.872 0.488) 4.377 1.546 ( 1.644 -4.648 -0.285) 4.939 1.709 ( 2.161 -6.392 -0.084) 6.748 1.718 ( 2.290 -6.318 0.186) 6.723 1.763 ( 1.074 -4.244 0.013) 4.378 1.813 ( 0.872 -3.911 -0.178) 4.011 1.973 ( -0.141 -1.597 0.009) 1.603 2.004 ( -0.435 -0.315 0.005) 0.537 2.075 ( -0.304 -0.823 0.604) 1.065 2.100 ( -0.641 -0.031 -0.627) 0.897 2.724 ( 0.713 18.146 0.084) 18.160 2.762 ( 0.617 18.131 -0.067) 18.142 2.824 ( -0.099 19.285 0.001) 19.285 2.861 ( -0.018 19.410 0.002) 19.410 3.341 ( 0.264 -0.227 -0.058) 0.353 3.354 ( 0.474 -0.298 0.099) 0.569 3.400 ( -0.204 1.317 0.262) 1.358 3.425 ( 0.359 1.843 -0.389) 1.917 3.594 ( -0.233 3.591 -0.155) 3.602 3.598 ( 0.294 1.259 -0.122) 1.298 3.604 ( 0.513 1.946 0.203) 2.023 3.621 ( -0.125 4.310 -0.251) 4.319 3.666 ( -1.687 1.724 0.521) 2.468 3.714 ( -2.374 4.791 -0.226) 5.351 3.765 ( -0.928 2.932 0.013) 3.076 3.785 ( -1.369 3.890 -0.036) 4.124 3.873 ( -1.445 -2.149 -0.241) 2.601 3.898 ( -0.833 -0.243 -0.064) 0.870 3.903 ( -1.195 -0.636 -0.018) 1.354 3.919 ( 0.123 -0.838 0.140) 0.858 3.985 ( 3.316 -4.683 0.978) 5.821 3.992 ( 2.468 -4.483 -0.779) 5.176 4.104 ( 4.250 -5.628 1.378) 7.186 4.214 ( 7.011 -3.269 -1.226) 7.832 ======================= Grid point 255 (112/121) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -2.909 -0.000 0.333) 2.928 0.499 ( -1.226 -0.000 -2.447) 2.736 0.515 ( -3.033 -0.000 1.755) 3.504 0.544 ( -5.232 -0.000 -0.047) 5.232 0.568 ( -4.857 -0.000 0.111) 4.858 0.629 ( -2.695 -0.000 0.653) 2.773 0.706 ( -2.019 -0.000 -1.850) 2.738 0.763 ( -1.510 -0.000 0.320) 1.544 0.786 ( -3.107 -0.000 -0.203) 3.114 0.833 ( -2.338 -0.000 0.153) 2.343 0.861 ( 1.740 0.000 2.026) 2.671 0.985 ( 3.717 0.000 -0.894) 3.823 1.089 ( 1.350 0.000 -0.012) 1.350 1.124 ( 1.758 0.000 0.013) 1.758 1.137 ( -2.001 -0.000 -0.179) 2.009 1.267 ( -1.975 -0.000 1.168) 2.295 1.443 ( -1.165 -0.000 -2.685) 2.926 1.470 ( -1.056 -0.000 0.027) 1.057 1.512 ( 1.599 0.000 2.146) 2.676 1.656 ( 0.402 0.000 -0.341) 0.527 1.983 ( 0.373 0.000 0.087) 0.384 2.026 ( 0.604 0.000 -0.203) 0.638 2.144 ( 0.471 0.000 -0.859) 0.980 2.196 ( -0.367 -0.000 0.873) 0.947 2.419 ( -1.950 -0.000 -0.043) 1.951 2.459 ( -2.667 -0.000 0.104) 2.669 2.475 ( -2.829 -0.000 -0.119) 2.832 2.509 ( -3.496 -0.000 0.053) 3.497 3.352 ( -0.563 -0.000 0.118) 0.575 3.366 ( -0.159 -0.000 -0.173) 0.235 3.398 ( 0.095 0.000 -0.042) 0.103 3.410 ( 0.218 0.000 0.060) 0.227 3.486 ( 1.821 0.000 -0.070) 1.823 3.519 ( 1.905 0.000 0.063) 1.906 3.539 ( -0.083 -0.000 0.095) 0.126 3.564 ( 0.153 0.000 -0.042) 0.159 3.613 ( -0.666 -0.000 -0.036) 0.667 3.619 ( -0.290 -0.000 0.024) 0.291 3.925 ( 0.981 0.000 1.030) 1.423 3.932 ( 1.335 0.000 -1.303) 1.865 4.004 ( 0.673 0.000 1.219) 1.393 4.029 ( 1.687 0.000 -1.123) 2.026 4.112 ( -0.498 -0.000 0.345) 0.606 4.133 ( -0.297 -0.000 -0.164) 0.339 4.458 ( -1.819 -0.000 -0.360) 1.854 4.480 ( -2.682 -0.000 0.147) 2.686 4.599 ( -4.494 -0.000 1.257) 4.666 4.641 ( -4.494 -0.000 -1.080) 4.622 ======================= Grid point 256 (113/121) ======================= q-point: (-0.25 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -6.216 0.298 -2.118) 6.574 0.422 ( -4.625 -0.726 1.679) 4.973 0.486 ( -4.446 -0.954 -0.679) 4.598 0.568 ( -3.884 -1.145 1.800) 4.431 0.638 ( -0.492 -2.213 -0.440) 2.309 0.704 ( -2.667 -4.619 -1.440) 5.525 0.729 ( -1.284 -6.243 -0.226) 6.378 0.763 ( -2.588 -8.305 0.273) 8.703 0.889 ( 1.805 -2.503 1.952) 3.652 0.957 ( -0.380 -12.288 -0.084) 12.294 0.988 ( -0.991 -12.828 0.116) 12.867 1.009 ( 2.039 -4.708 -0.556) 5.161 1.114 ( -0.918 -1.551 -0.353) 1.837 1.218 ( 0.698 -9.015 -0.283) 9.046 1.227 ( 0.548 -5.752 0.268) 5.784 1.278 ( -0.619 -3.614 0.745) 3.742 1.422 ( -1.390 0.823 -2.005) 2.575 1.455 ( -1.177 0.640 -0.198) 1.354 1.509 ( 0.790 0.894 2.241) 2.539 1.642 ( -0.141 1.289 -0.739) 1.492 1.974 ( 0.417 0.903 0.042) 0.996 2.020 ( 0.488 0.729 -0.267) 0.917 2.122 ( 0.108 1.605 -0.514) 1.688 2.176 ( -0.664 1.379 0.667) 1.669 2.663 ( -0.101 -21.768 0.166) 21.769 2.703 ( -0.704 -22.092 -0.509) 22.109 2.735 ( 0.941 -23.990 0.521) 24.014 2.794 ( 4.572 -25.563 -0.194) 25.970 3.346 ( -0.466 0.263 0.191) 0.568 3.361 ( -0.043 0.364 -0.178) 0.408 3.409 ( 0.545 -0.500 -0.015) 0.740 3.424 ( 0.469 -0.709 0.092) 0.855 3.461 ( 1.414 3.192 -0.393) 3.514 3.494 ( 1.622 3.363 0.158) 3.737 3.533 ( -0.037 0.653 0.009) 0.654 3.557 ( 0.139 0.734 0.208) 0.775 3.602 ( -0.029 0.915 0.046) 0.916 3.619 ( 0.522 0.088 -0.167) 0.555 3.910 ( 0.894 2.195 0.818) 2.507 3.914 ( 1.287 2.402 -0.925) 2.878 3.986 ( 0.622 2.296 0.857) 2.529 4.010 ( 1.530 2.619 -1.007) 3.196 4.066 ( -0.109 4.027 0.408) 4.049 4.086 ( -0.011 4.208 -0.126) 4.210 4.366 ( -2.375 7.582 -0.495) 7.960 4.389 ( -3.276 7.230 0.614) 7.961 4.493 ( -4.664 7.810 0.949) 9.146 4.530 ( -5.009 7.553 -1.110) 9.131 ======================= Grid point 257 (114/121) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -1.404 -6.632 0.632) 6.808 0.478 ( -4.944 -4.839 2.253) 7.276 0.519 ( -0.087 -5.886 -2.559) 6.419 0.596 ( -0.249 -3.881 1.606) 4.208 0.673 ( -0.564 -2.995 -1.397) 3.353 0.719 ( 1.172 -1.893 -0.798) 2.365 0.895 ( 0.879 -7.196 -0.194) 7.252 0.978 ( -0.074 -5.970 2.437) 6.449 0.990 ( -0.450 -9.861 -0.529) 9.886 1.070 ( 2.974 -5.007 -0.726) 5.868 1.173 ( -0.588 -6.823 0.015) 6.848 1.250 ( -0.412 -8.392 -0.029) 8.402 1.269 ( 0.533 -10.826 -0.013) 10.839 1.318 ( 0.353 -8.724 -0.199) 8.733 1.376 ( -1.816 -1.171 -0.527) 2.224 1.399 ( -1.368 -5.141 -0.238) 5.326 1.420 ( -1.025 -5.013 0.075) 5.117 1.450 ( -1.384 -2.806 0.037) 3.129 1.528 ( 0.999 -3.140 1.492) 3.617 1.626 ( 0.652 -1.215 -0.973) 1.688 1.960 ( 0.509 0.638 -0.122) 0.825 2.009 ( 0.188 0.522 -0.102) 0.564 2.091 ( -0.080 1.405 0.094) 1.410 2.141 ( -0.779 1.682 0.118) 1.857 3.124 ( 1.579 -18.213 0.198) 18.283 3.160 ( 0.650 -17.162 -0.346) 17.178 3.225 ( 2.444 -16.946 0.054) 17.121 3.240 ( 4.138 -6.855 -0.202) 8.009 3.338 ( 0.045 0.757 -0.174) 0.778 3.344 ( 0.869 0.663 1.206) 1.628 3.372 ( 0.361 3.042 -0.678) 3.137 3.412 ( 1.285 1.932 0.272) 2.336 3.425 ( 2.218 -1.803 0.288) 2.873 3.494 ( 3.698 -3.836 -1.861) 5.644 3.523 ( 1.240 -1.336 1.031) 2.095 3.555 ( 0.435 -1.682 0.183) 1.747 3.593 ( 0.382 -0.782 0.283) 0.915 3.634 ( 3.240 -2.414 -0.275) 4.050 3.849 ( 0.628 4.695 -0.446) 4.757 3.852 ( 0.409 4.216 0.626) 4.281 3.931 ( 0.417 3.460 -0.299) 3.497 3.948 ( 0.980 3.653 0.079) 3.783 3.986 ( 0.677 3.703 0.183) 3.769 3.999 ( 0.738 3.974 -0.023) 4.042 4.158 ( -2.372 10.850 -0.181) 11.107 4.180 ( -3.037 11.080 0.431) 11.497 4.266 ( -3.929 11.631 1.074) 12.323 4.312 ( -3.447 10.152 -1.435) 10.817 ======================= Grid point 258 (115/121) ======================= q-point: (-0.08 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -0.433 -6.525 1.955) 6.825 0.613 ( 4.051 -8.865 1.117) 9.810 0.692 ( 2.285 -9.405 -1.555) 9.803 0.717 ( 2.982 -6.321 0.262) 6.994 0.754 ( -0.145 -6.731 -1.754) 6.957 0.813 ( 2.734 -5.589 -0.088) 6.223 1.016 ( -0.187 -4.493 0.124) 4.499 1.066 ( 0.958 -3.740 1.091) 4.012 1.131 ( 0.503 -4.056 0.374) 4.104 1.180 ( 1.812 -4.357 -0.465) 4.742 1.271 ( -0.441 3.237 -0.287) 3.280 1.335 ( 0.684 -4.460 -1.758) 4.842 1.384 ( 0.334 -3.493 1.032) 3.658 1.401 ( 0.989 -4.204 0.297) 4.329 1.428 ( -0.280 -1.825 -0.245) 1.863 1.456 ( -1.908 -1.521 0.230) 2.451 1.560 ( 0.764 -9.849 0.427) 9.888 1.580 ( 0.440 -9.377 -0.298) 9.393 1.658 ( 0.777 -6.873 0.394) 6.928 1.716 ( 0.715 -5.731 -0.529) 5.799 1.957 ( 0.346 -0.129 -0.099) 0.383 2.002 ( -0.170 0.214 -0.013) 0.273 2.071 ( -0.172 0.472 0.515) 0.720 2.107 ( -0.695 1.147 -0.348) 1.385 3.064 ( 1.617 14.091 -0.021) 14.183 3.101 ( 1.699 14.328 0.171) 14.429 3.151 ( -0.793 12.820 -0.104) 12.845 3.191 ( -0.637 12.855 -0.117) 12.871 3.339 ( 0.049 -0.085 -0.040) 0.106 3.347 ( 0.192 -0.659 -0.006) 0.686 3.422 ( 0.394 0.307 0.550) 0.743 3.464 ( 0.543 1.649 -0.566) 1.826 3.569 ( -0.443 -4.372 0.070) 4.395 3.593 ( 0.633 -2.313 0.122) 2.402 3.653 ( 1.475 -8.712 0.272) 8.841 3.680 ( 2.121 -2.815 -0.283) 3.535 3.714 ( 1.664 -5.578 -1.378) 5.982 3.724 ( 0.709 -2.368 -0.952) 2.649 3.753 ( -0.018 2.625 0.120) 2.628 3.801 ( 1.289 0.482 -0.076) 1.378 3.868 ( 0.353 0.528 2.565) 2.643 3.879 ( -0.955 5.943 -0.432) 6.035 3.903 ( -0.831 3.732 0.678) 3.883 3.942 ( -0.076 3.407 0.134) 3.410 3.976 ( 0.158 4.244 0.575) 4.286 4.006 ( -0.239 3.970 -0.658) 4.031 4.073 ( 0.346 2.905 1.868) 3.471 4.190 ( 4.596 -0.981 -2.449) 5.300 ======================= Grid point 268 (116/121) ======================= q-point: (-0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -7.459 -0.000 0.748) 7.497 0.445 ( -4.463 -0.000 -3.387) 5.603 0.461 ( -8.529 -0.000 0.331) 8.535 0.478 ( -4.831 -0.000 1.694) 5.120 0.480 ( -9.206 -0.000 -0.394) 9.215 0.608 ( -3.680 -0.000 2.125) 4.250 0.676 ( -0.705 -0.000 -1.148) 1.348 0.738 ( -2.124 -0.000 -1.233) 2.456 0.758 ( -1.489 -0.000 0.498) 1.571 0.808 ( -1.557 -0.000 -0.438) 1.618 0.898 ( 2.528 0.000 2.533) 3.579 1.028 ( 3.801 0.000 -0.901) 3.906 1.104 ( 1.064 0.000 0.014) 1.064 1.128 ( 1.114 0.000 -0.515) 1.228 1.144 ( 1.482 0.000 0.002) 1.482 1.254 ( -0.534 -0.000 0.772) 0.939 1.418 ( -1.197 -0.000 -2.213) 2.516 1.456 ( -1.389 -0.000 0.510) 1.480 1.532 ( 0.240 0.000 2.013) 2.027 1.654 ( -0.403 -0.000 -0.984) 1.063 1.990 ( 0.567 0.000 0.571) 0.804 2.036 ( 1.286 0.000 -0.473) 1.370 2.148 ( 0.650 0.000 -0.543) 0.847 2.195 ( -0.126 -0.000 0.537) 0.552 2.393 ( -2.180 -0.000 -0.033) 2.180 2.421 ( -3.427 -0.000 -0.001) 3.427 2.440 ( -2.754 -0.000 -0.017) 2.755 2.463 ( -3.746 -0.000 0.050) 3.746 3.346 ( -0.590 -0.000 0.231) 0.634 3.363 ( -0.168 -0.000 -0.358) 0.396 3.402 ( 0.591 0.000 -0.060) 0.594 3.415 ( 0.544 0.000 0.099) 0.553 3.502 ( 0.733 0.000 -0.159) 0.749 3.537 ( -0.152 -0.000 0.110) 0.188 3.537 ( 0.753 0.000 0.136) 0.765 3.565 ( 0.061 0.000 -0.040) 0.073 3.608 ( -0.077 -0.000 -0.023) 0.080 3.620 ( 0.430 0.000 0.001) 0.430 3.941 ( 1.168 0.000 0.511) 1.275 3.946 ( 1.554 0.000 -0.729) 1.716 4.017 ( 0.646 0.000 1.024) 1.210 4.047 ( 1.905 0.000 -1.178) 2.240 4.109 ( -0.048 -0.000 0.486) 0.488 4.131 ( 0.065 0.000 -0.128) 0.144 4.430 ( -2.710 -0.000 -0.331) 2.730 4.441 ( -3.953 -0.000 0.958) 4.067 4.545 ( -4.817 -0.000 0.753) 4.876 4.570 ( -6.057 -0.000 -1.560) 6.255 ======================= Grid point 269 (117/121) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -7.409 -1.318 0.247) 7.530 0.360 ( -7.056 -2.751 3.570) 8.373 0.428 ( -4.078 -1.702 -2.687) 5.171 0.526 ( -3.336 -3.272 0.917) 4.762 0.626 ( -2.388 -3.821 -1.510) 4.752 0.662 ( -3.717 -8.616 0.474) 9.395 0.691 ( -4.191 -10.734 -1.089) 11.575 0.730 ( -1.890 -4.086 -0.715) 4.558 0.919 ( 1.396 -2.366 2.736) 3.877 0.956 ( 0.082 -13.668 0.517) 13.678 0.972 ( -1.053 -14.467 -0.237) 14.507 1.045 ( 3.520 -1.522 -0.712) 3.901 1.116 ( 1.594 -0.767 -0.582) 1.862 1.225 ( 0.595 -7.228 -0.468) 7.267 1.232 ( 0.494 -5.621 -0.053) 5.643 1.280 ( 0.345 -4.171 0.692) 4.242 1.397 ( -1.700 1.027 -1.367) 2.411 1.437 ( -1.585 0.533 -0.001) 1.673 1.522 ( -0.089 0.653 2.116) 2.216 1.634 ( -0.537 1.150 -1.091) 1.673 1.980 ( 0.450 0.986 0.313) 1.128 2.026 ( 0.669 1.047 -0.536) 1.353 2.121 ( 0.085 1.731 -0.240) 1.749 2.169 ( -0.742 1.534 0.462) 1.766 2.659 ( -0.721 -22.340 0.213) 22.353 2.696 ( -0.004 -24.477 -1.044) 24.499 2.762 ( 3.075 -27.541 2.042) 27.787 2.887 ( 11.477 -30.473 -1.470) 32.596 3.342 ( -0.427 0.097 0.317) 0.540 3.360 ( -0.035 0.133 -0.346) 0.373 3.417 ( 0.734 -0.635 -0.105) 0.976 3.431 ( 0.630 -0.757 0.078) 0.988 3.474 ( 1.042 2.746 -0.502) 2.979 3.514 ( 1.581 2.583 0.187) 3.034 3.530 ( -0.407 0.494 0.033) 0.641 3.558 ( 0.006 0.548 0.255) 0.605 3.605 ( 0.309 0.677 0.253) 0.786 3.627 ( 0.862 -0.288 -0.368) 0.981 3.924 ( 0.877 2.460 0.365) 2.637 3.927 ( 1.160 2.686 -0.448) 2.960 3.996 ( 0.560 2.466 0.522) 2.582 4.026 ( 1.556 2.892 -0.861) 3.395 4.071 ( 0.661 3.690 0.452) 3.776 4.089 ( 0.635 3.949 -0.005) 4.000 4.329 ( -3.893 7.566 -0.161) 8.510 4.346 ( -3.860 7.119 1.219) 8.190 4.437 ( -4.542 7.676 0.093) 8.919 4.454 ( -6.367 6.889 -1.419) 9.487 ======================= Grid point 270 (118/121) ======================= q-point: (-0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.105 -10.505 1.820) 10.662 0.434 ( -4.080 -6.534 3.997) 8.678 0.508 ( -0.073 -8.561 -3.232) 9.151 0.597 ( -0.474 -5.862 1.423) 6.051 0.650 ( -1.486 -3.187 -3.191) 4.749 0.729 ( 0.896 -3.553 -1.487) 3.955 0.911 ( 1.449 -8.340 0.398) 8.475 0.976 ( -1.128 -13.274 0.410) 13.328 0.988 ( -0.284 -4.957 2.494) 5.556 1.103 ( 2.994 -4.190 -1.449) 5.349 1.174 ( 0.699 -6.199 0.005) 6.239 1.248 ( 0.110 -9.555 0.134) 9.557 1.277 ( 0.859 -11.720 -0.236) 11.754 1.317 ( -0.570 -8.228 -0.436) 8.259 1.351 ( -1.529 -1.457 -0.728) 2.234 1.381 ( -1.450 -4.410 0.259) 4.650 1.408 ( -0.896 -5.385 0.182) 5.462 1.428 ( -2.073 -1.145 -0.022) 2.368 1.544 ( 0.663 -3.541 1.417) 3.871 1.632 ( 0.904 -2.280 -0.870) 2.602 1.966 ( 0.472 0.656 0.021) 0.808 2.010 ( 0.150 0.680 -0.222) 0.731 2.090 ( -0.074 1.374 0.167) 1.386 2.132 ( -0.728 1.745 0.042) 1.892 3.135 ( 0.088 -20.819 0.352) 20.822 3.171 ( 1.366 -14.496 -0.687) 14.576 3.257 ( 2.594 -11.177 0.072) 11.475 3.286 ( 3.171 -1.074 -0.417) 3.374 3.336 ( -0.135 0.565 -0.083) 0.586 3.347 ( -0.330 1.726 -0.334) 1.788 3.391 ( 2.149 0.874 0.899) 2.487 3.423 ( 0.828 1.221 0.271) 1.500 3.459 ( 2.411 -3.026 -0.089) 3.870 3.513 ( 1.119 0.244 -1.568) 1.942 3.552 ( 1.727 -5.519 0.829) 5.842 3.564 ( 1.443 -1.150 0.508) 1.914 3.601 ( 0.467 -1.795 1.407) 2.328 3.693 ( 6.794 -6.121 -1.102) 9.211 3.854 ( 0.334 4.996 -0.148) 5.009 3.860 ( 0.531 4.210 0.271) 4.252 3.935 ( 0.263 3.878 0.158) 3.890 3.964 ( 1.740 3.550 -0.158) 3.957 3.999 ( 1.309 4.371 0.297) 4.573 4.014 ( 1.826 3.333 -0.023) 3.801 4.124 ( -3.058 9.524 0.043) 10.003 4.143 ( -3.261 10.366 0.974) 10.910 4.220 ( -4.107 10.633 0.748) 11.423 4.258 ( -4.145 7.282 -2.418) 8.721 ======================= Grid point 281 (119/121) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -8.435 -0.000 3.628) 9.182 0.335 ( -12.117 -0.000 -0.480) 12.126 0.348 ( -11.830 -0.000 0.353) 11.835 0.352 ( -9.838 -0.000 2.286) 10.100 0.427 ( -3.757 -0.000 -2.640) 4.592 0.552 ( -5.106 -0.000 1.375) 5.287 0.663 ( -1.957 -0.000 -2.468) 3.150 0.713 ( -0.036 -0.000 -2.417) 2.417 0.749 ( -0.592 -0.000 0.823) 1.013 0.793 ( -0.470 -0.000 -0.756) 0.890 0.935 ( 1.358 0.000 4.200) 4.414 1.078 ( 5.003 0.000 -0.846) 5.074 1.115 ( 0.658 0.000 0.025) 0.658 1.150 ( 2.449 0.000 -1.625) 2.939 1.159 ( 1.010 0.000 -0.006) 1.010 1.263 ( 1.428 0.000 0.758) 1.617 1.396 ( -1.480 -0.000 -1.209) 1.911 1.441 ( -1.123 -0.000 0.435) 1.204 1.534 ( -1.064 -0.000 1.894) 2.172 1.640 ( -1.065 -0.000 -1.215) 1.616 2.003 ( 1.041 0.000 1.698) 1.992 2.055 ( 2.212 0.000 -0.653) 2.307 2.155 ( 0.733 0.000 -0.201) 0.760 2.197 ( 0.219 0.000 0.023) 0.220 2.366 ( -2.124 -0.000 -0.002) 2.124 2.382 ( -2.643 -0.000 0.072) 2.644 2.408 ( -2.522 -0.000 0.066) 2.523 2.422 ( -2.764 -0.000 -0.133) 2.767 3.340 ( -0.472 -0.000 0.397) 0.617 3.359 ( -0.186 -0.000 -0.735) 0.758 3.411 ( 0.838 0.000 -0.024) 0.838 3.423 ( 0.610 0.000 0.050) 0.612 3.502 ( -0.541 -0.000 -0.105) 0.552 3.532 ( -0.649 -0.000 0.241) 0.692 3.540 ( -0.326 -0.000 0.090) 0.339 3.565 ( -0.068 -0.000 -0.033) 0.076 3.612 ( 0.677 0.000 -0.005) 0.677 3.630 ( 1.076 0.000 -0.007) 1.076 3.956 ( 0.990 0.000 0.125) 0.997 3.962 ( 1.248 0.000 -0.405) 1.312 4.027 ( 0.341 0.000 0.771) 0.843 4.064 ( 1.569 0.000 -1.216) 1.985 4.116 ( 0.660 0.000 0.560) 0.866 4.136 ( 0.893 0.000 0.103) 0.898 4.374 ( -6.389 -0.000 0.439) 6.404 4.408 ( -2.276 -0.000 1.212) 2.579 4.483 ( -6.649 -0.000 -2.576) 7.130 4.494 ( -3.420 -0.000 -0.283) 3.432 ======================= Grid point 282 (120/121) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -4.987 -5.518 3.302) 8.137 0.293 ( -6.337 -4.674 6.691) 10.333 0.369 ( -2.717 -4.012 -4.528) 6.632 0.497 ( -1.870 -5.036 -0.202) 5.375 0.568 ( -4.901 -10.983 -1.536) 12.125 0.609 ( -4.941 -13.983 1.308) 14.888 0.636 ( -3.982 -7.525 -1.247) 8.604 0.713 ( -0.092 -2.199 -3.049) 3.761 0.940 ( 0.188 -7.404 2.467) 7.807 0.957 ( -0.246 -11.870 0.731) 11.895 0.968 ( 0.297 -11.432 1.132) 11.491 1.087 ( 3.813 -0.489 -0.986) 3.969 1.139 ( 2.193 -0.405 -1.278) 2.570 1.228 ( 0.435 -4.858 -0.551) 4.909 1.242 ( 1.062 -7.306 0.068) 7.383 1.289 ( 0.648 -2.700 0.688) 2.860 1.369 ( -2.205 1.196 -0.567) 2.572 1.417 ( -1.545 0.491 -0.275) 1.645 1.526 ( -0.567 0.107 1.994) 2.076 1.623 ( -0.554 0.519 -1.042) 1.290 1.987 ( 0.352 1.176 0.632) 1.381 2.032 ( 0.673 1.517 -0.795) 1.840 2.122 ( 0.105 1.878 -0.079) 1.883 2.162 ( -0.722 1.643 0.295) 1.819 2.650 ( -0.744 -22.884 0.350) 22.899 2.692 ( 0.329 -26.066 -2.011) 26.145 2.831 ( 5.513 -31.411 5.710) 32.399 3.063 ( 18.448 -29.344 -5.771) 35.139 3.339 ( -0.235 -0.041 0.484) 0.540 3.357 ( -0.132 -0.157 -0.750) 0.777 3.425 ( 0.605 -0.453 -0.143) 0.769 3.439 ( 0.510 -0.767 -0.049) 0.922 3.485 ( 0.970 1.529 -0.218) 1.824 3.524 ( -0.614 0.041 0.405) 0.737 3.537 ( 2.012 0.988 -0.389) 2.275 3.563 ( 1.186 -0.461 0.098) 1.276 3.610 ( 0.383 0.737 0.282) 0.877 3.637 ( 1.134 -0.975 -1.073) 1.840 3.934 ( 0.523 2.686 0.313) 2.755 3.937 ( 0.793 2.981 -0.496) 3.125 4.003 ( 0.211 2.523 0.426) 2.567 4.042 ( 1.745 2.713 -0.554) 3.273 4.085 ( 1.126 3.268 0.472) 3.488 4.102 ( 1.305 3.737 0.115) 3.960 4.262 ( -6.796 6.570 -0.126) 9.454 4.314 ( -2.537 7.811 2.064) 8.468 4.359 ( -7.271 6.427 -2.709) 10.075 4.391 ( -3.268 7.780 -0.179) 8.441 ======================= Grid point 294 (121/121) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( -14.288 -0.000 -0.721) 14.306 0.196 ( -13.215 -0.000 0.428) 13.222 0.198 ( -7.597 -0.000 6.825) 10.212 0.254 ( -7.656 -0.000 10.056) 12.638 0.361 ( -3.671 -0.000 -4.815) 6.055 0.518 ( -1.012 -0.000 0.420) 1.096 0.611 ( -3.595 -0.000 -4.608) 5.845 0.706 ( 0.135 0.000 -3.367) 3.370 0.748 ( -0.264 -0.000 0.867) 0.907 0.788 ( 0.072 0.000 -0.802) 0.806 0.968 ( 0.877 0.000 5.401) 5.472 1.120 ( 0.303 0.000 0.036) 0.306 1.129 ( 3.226 0.000 -2.285) 3.954 1.169 ( 0.498 0.000 -0.019) 0.498 1.175 ( 3.150 0.000 -0.702) 3.227 1.287 ( 1.401 0.000 0.707) 1.570 1.368 ( -2.649 -0.000 -0.164) 2.654 1.434 ( -0.249 -0.000 -0.949) 0.982 1.527 ( -0.974 -0.000 2.083) 2.299 1.623 ( -0.721 -0.000 -0.950) 1.193 2.042 ( 4.397 0.000 3.500) 5.620 2.082 ( 2.217 0.000 -0.395) 2.252 2.164 ( 0.693 0.000 0.347) 0.775 2.200 ( 0.409 0.000 -0.547) 0.683 2.343 ( -1.450 -0.000 0.076) 1.452 2.359 ( -1.170 -0.000 0.209) 1.188 2.381 ( -1.720 -0.000 0.011) 1.720 2.397 ( -1.290 -0.000 -0.293) 1.323 3.338 ( -0.098 -0.000 0.637) 0.645 3.351 ( -0.619 -0.000 -1.089) 1.252 3.421 ( 0.717 0.000 0.022) 0.718 3.430 ( 0.393 0.000 -0.026) 0.394 3.493 ( -0.763 -0.000 0.009) 0.763 3.524 ( -0.852 -0.000 0.488) 0.982 3.534 ( -0.533 -0.000 -0.005) 0.533 3.562 ( -0.297 -0.000 -0.344) 0.454 3.621 ( 0.619 0.000 0.013) 0.619 3.642 ( 0.775 0.000 -0.009) 0.775 3.965 ( 0.395 0.000 0.064) 0.400 3.972 ( 0.690 0.000 -0.523) 0.866 4.031 ( -0.077 -0.000 0.850) 0.853 4.079 ( 1.733 0.000 -0.816) 1.916 4.126 ( 0.402 0.000 0.666) 0.778 4.151 ( 1.057 0.000 -0.013) 1.057 4.281 ( -8.365 -0.000 -0.413) 8.375 4.375 ( -6.082 -0.000 -2.068) 6.424 4.406 ( -1.602 -0.000 -0.136) 1.608 4.461 ( -1.751 -0.000 -0.752) 1.905 =================== 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 3/20736 10.0 3.161 7.587 0.989 -0.000 -0.025 0.000 3/20736 20.0 1.392 5.386 0.438 -0.000 -0.012 0.000 3/20736 30.0 0.910 4.596 0.288 -0.000 -0.006 0.000 3/20736 40.0 0.698 4.157 0.224 -0.000 -0.003 0.000 3/20736 50.0 0.577 3.779 0.186 -0.000 -0.002 0.000 3/20736 60.0 0.496 3.434 0.161 -0.000 -0.001 0.000 3/20736 70.0 0.436 3.126 0.142 -0.000 -0.001 0.000 3/20736 80.0 0.390 2.854 0.127 -0.000 -0.000 0.000 3/20736 90.0 0.352 2.618 0.115 -0.000 -0.000 0.000 3/20736 100.0 0.321 2.413 0.105 -0.000 0.000 0.000 3/20736 110.0 0.295 2.234 0.097 -0.000 0.000 0.000 3/20736 120.0 0.273 2.077 0.089 -0.000 0.000 0.000 3/20736 130.0 0.253 1.940 0.083 -0.000 0.000 0.000 3/20736 140.0 0.237 1.818 0.078 -0.000 0.000 0.000 3/20736 150.0 0.222 1.710 0.073 -0.000 0.000 0.000 3/20736 160.0 0.209 1.613 0.069 -0.000 0.000 0.000 3/20736 170.0 0.197 1.527 0.065 -0.000 0.000 0.000 3/20736 180.0 0.187 1.449 0.061 -0.000 0.000 0.000 3/20736 190.0 0.178 1.378 0.058 -0.000 0.000 0.000 3/20736 200.0 0.169 1.313 0.055 -0.000 0.000 0.000 3/20736 210.0 0.161 1.254 0.053 -0.000 0.000 0.000 3/20736 220.0 0.154 1.201 0.051 -0.000 0.000 0.000 3/20736 230.0 0.148 1.151 0.049 -0.000 0.000 0.000 3/20736 240.0 0.142 1.105 0.047 -0.000 0.000 0.000 3/20736 250.0 0.136 1.063 0.045 -0.000 0.000 0.000 3/20736 260.0 0.131 1.024 0.043 -0.000 0.000 0.000 3/20736 270.0 0.126 0.987 0.042 -0.000 0.000 0.000 3/20736 280.0 0.122 0.953 0.040 -0.000 0.000 0.000 3/20736 290.0 0.118 0.922 0.039 -0.000 0.000 0.000 3/20736 300.0 0.114 0.892 0.037 -0.000 0.000 0.000 3/20736 310.0 0.110 0.864 0.036 -0.000 0.000 0.000 3/20736 320.0 0.107 0.838 0.035 -0.000 0.000 0.000 3/20736 330.0 0.104 0.813 0.034 -0.000 0.000 0.000 3/20736 340.0 0.101 0.790 0.033 -0.000 0.000 0.000 3/20736 350.0 0.098 0.768 0.032 -0.000 0.000 0.000 3/20736 360.0 0.095 0.747 0.031 -0.000 0.000 0.000 3/20736 370.0 0.093 0.727 0.031 -0.000 0.000 0.000 3/20736 380.0 0.090 0.708 0.030 -0.000 0.000 0.000 3/20736 390.0 0.088 0.691 0.029 -0.000 0.000 0.000 3/20736 400.0 0.086 0.674 0.028 -0.000 0.000 0.000 3/20736 410.0 0.084 0.658 0.028 -0.000 0.000 0.000 3/20736 420.0 0.082 0.642 0.027 -0.000 0.000 0.000 3/20736 430.0 0.080 0.627 0.026 -0.000 0.000 0.000 3/20736 440.0 0.078 0.613 0.026 -0.000 0.000 0.000 3/20736 450.0 0.077 0.600 0.025 -0.000 0.000 0.000 3/20736 460.0 0.075 0.587 0.025 -0.000 0.000 0.000 3/20736 470.0 0.073 0.575 0.024 -0.000 0.000 0.000 3/20736 480.0 0.072 0.563 0.024 -0.000 0.000 0.000 3/20736 490.0 0.070 0.552 0.023 -0.000 0.000 0.000 3/20736 500.0 0.069 0.541 0.023 -0.000 0.000 0.000 3/20736 510.0 0.068 0.530 0.022 -0.000 0.000 0.000 3/20736 520.0 0.066 0.520 0.022 -0.000 0.000 0.000 3/20736 530.0 0.065 0.511 0.021 -0.000 0.000 0.000 3/20736 540.0 0.064 0.501 0.021 -0.000 0.000 0.000 3/20736 550.0 0.063 0.492 0.021 -0.000 0.000 0.000 3/20736 560.0 0.062 0.484 0.020 -0.000 0.000 0.000 3/20736 570.0 0.061 0.475 0.020 -0.000 0.000 0.000 3/20736 580.0 0.060 0.467 0.020 -0.000 0.000 0.000 3/20736 590.0 0.059 0.459 0.019 -0.000 0.000 0.000 3/20736 600.0 0.058 0.452 0.019 -0.000 0.000 0.000 3/20736 610.0 0.057 0.444 0.019 -0.000 0.000 0.000 3/20736 620.0 0.056 0.437 0.018 -0.000 0.000 0.000 3/20736 630.0 0.055 0.430 0.018 -0.000 0.000 0.000 3/20736 640.0 0.054 0.424 0.018 -0.000 0.000 0.000 3/20736 650.0 0.053 0.417 0.017 -0.000 0.000 0.000 3/20736 660.0 0.052 0.411 0.017 -0.000 0.000 0.000 3/20736 670.0 0.052 0.405 0.017 -0.000 0.000 0.000 3/20736 680.0 0.051 0.399 0.017 -0.000 0.000 0.000 3/20736 690.0 0.050 0.393 0.016 -0.000 0.000 0.000 3/20736 700.0 0.049 0.388 0.016 -0.000 0.000 0.000 3/20736 710.0 0.049 0.382 0.016 -0.000 0.000 0.000 3/20736 720.0 0.048 0.377 0.016 -0.000 0.000 0.000 3/20736 730.0 0.047 0.372 0.016 -0.000 0.000 0.000 3/20736 740.0 0.047 0.367 0.015 -0.000 0.000 0.000 3/20736 750.0 0.046 0.362 0.015 -0.000 0.000 0.000 3/20736 760.0 0.045 0.357 0.015 -0.000 0.000 0.000 3/20736 770.0 0.045 0.353 0.015 -0.000 0.000 0.000 3/20736 780.0 0.044 0.348 0.015 -0.000 0.000 0.000 3/20736 790.0 0.044 0.344 0.014 -0.000 0.000 0.000 3/20736 800.0 0.043 0.339 0.014 -0.000 0.000 0.000 3/20736 810.0 0.043 0.335 0.014 -0.000 0.000 0.000 3/20736 820.0 0.042 0.331 0.014 -0.000 0.000 0.000 3/20736 830.0 0.042 0.327 0.014 -0.000 0.000 0.000 3/20736 840.0 0.041 0.323 0.014 -0.000 0.000 0.000 3/20736 850.0 0.041 0.320 0.013 -0.000 0.000 0.000 3/20736 860.0 0.040 0.316 0.013 -0.000 0.000 0.000 3/20736 870.0 0.040 0.312 0.013 -0.000 0.000 0.000 3/20736 880.0 0.039 0.309 0.013 -0.000 0.000 0.000 3/20736 890.0 0.039 0.305 0.013 -0.000 0.000 0.000 3/20736 900.0 0.038 0.302 0.013 -0.000 0.000 0.000 3/20736 910.0 0.038 0.299 0.012 -0.000 0.000 0.000 3/20736 920.0 0.038 0.295 0.012 -0.000 0.000 0.000 3/20736 930.0 0.037 0.292 0.012 -0.000 0.000 0.000 3/20736 940.0 0.037 0.289 0.012 -0.000 0.000 0.000 3/20736 950.0 0.036 0.286 0.012 -0.000 0.000 0.000 3/20736 960.0 0.036 0.283 0.012 -0.000 0.000 0.000 3/20736 970.0 0.036 0.280 0.012 -0.000 0.000 0.000 3/20736 980.0 0.035 0.277 0.012 -0.000 0.000 0.000 3/20736 990.0 0.035 0.275 0.011 -0.000 0.000 0.000 3/20736 1000.0 0.035 0.272 0.011 -0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:16:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|