----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.150057929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.493452330000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *5 Ca 0.72780881491918 0.75000000000000 0.01022593857323 40.078 6 Ca 0.22780881491918 0.75000000000000 0.48977406142677 40.078 7 Ca 0.27219118508082 0.25000000000000 0.98977406142677 40.078 8 Ca 0.77219118508082 0.25000000000000 0.51022593857323 40.078 *9 Sn 0.90650330532381 0.75000000000000 0.58539430129129 118.710 10 Sn 0.40650330532382 0.75000000000000 0.91460569870871 118.710 11 Sn 0.09349669467619 0.25000000000000 0.41460569870871 118.710 12 Sn 0.59349669467619 0.25000000000000 0.08539430129129 118.710 *13 S 0.06536432825678 0.75000000000000 0.74091550148359 32.065 14 S 0.56536432825678 0.75000000000000 0.75908449851641 32.065 15 S 0.93463567174322 0.25000000000000 0.25908449851641 32.065 16 S 0.43463567174322 0.25000000000000 0.24091550148359 32.065 *17 S 0.90657503176362 0.75000000000000 0.22050826006085 32.065 18 S 0.40657503176362 0.75000000000000 0.27949173993915 32.065 19 S 0.09342496823638 0.25000000000000 0.77949173993915 32.065 20 S 0.59342496823638 0.25000000000000 0.72050826006085 32.065 *21 S 0.82956267586710 0.97855051445550 0.75393210898420 32.065 22 S 0.32956267586710 0.52144948554450 0.74606789101580 32.065 23 S 0.17043732413290 0.47855051445550 0.24606789101580 32.065 24 S 0.67043732413290 0.02144948554450 0.25393210898420 32.065 25 S 0.17043732413290 0.02144948554450 0.24606789101580 32.065 26 S 0.67043732413290 0.47855051445550 0.25393210898420 32.065 27 S 0.82956267586710 0.52144948554450 0.75393210898420 32.065 28 S 0.32956267586710 0.97855051445550 0.74606789101580 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.150057929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.493452330000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 2 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 3 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 4 *5 Ca 0.72780881491918 0.75000000000000 0.01022593857323 40.078 > 5 6 Ca 0.22780881491918 0.75000000000000 0.48977406142677 40.078 > 6 7 Ca 0.27219118508082 0.25000000000000 0.98977406142677 40.078 > 7 8 Ca 0.77219118508082 0.25000000000000 0.51022593857323 40.078 > 8 *9 Sn 0.90650330532381 0.75000000000000 0.58539430129129 118.710 > 9 10 Sn 0.40650330532382 0.75000000000000 0.91460569870871 118.710 > 10 11 Sn 0.09349669467619 0.25000000000000 0.41460569870871 118.710 > 11 12 Sn 0.59349669467619 0.25000000000000 0.08539430129129 118.710 > 12 *13 S 0.06536432825678 0.75000000000000 0.74091550148359 32.065 > 13 14 S 0.56536432825678 0.75000000000000 0.75908449851641 32.065 > 14 15 S 0.93463567174322 0.25000000000000 0.25908449851641 32.065 > 15 16 S 0.43463567174322 0.25000000000000 0.24091550148359 32.065 > 16 *17 S 0.90657503176362 0.75000000000000 0.22050826006085 32.065 > 17 18 S 0.40657503176362 0.75000000000000 0.27949173993915 32.065 > 18 19 S 0.09342496823638 0.25000000000000 0.77949173993915 32.065 > 19 20 S 0.59342496823638 0.25000000000000 0.72050826006085 32.065 > 20 *21 S 0.82956267586710 0.97855051445550 0.75393210898420 32.065 > 21 22 S 0.32956267586710 0.52144948554450 0.74606789101580 32.065 > 22 23 S 0.17043732413290 0.47855051445550 0.24606789101580 32.065 > 23 24 S 0.67043732413290 0.02144948554450 0.25393210898420 32.065 > 24 25 S 0.17043732413290 0.02144948554450 0.24606789101580 32.065 > 25 26 S 0.67043732413290 0.47855051445550 0.25393210898420 32.065 > 26 27 S 0.82956267586710 0.52144948554450 0.75393210898420 32.065 > 27 28 S 0.32956267586710 0.97855051445550 0.74606789101580 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.300115859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.986904660000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.25000000000000 0.00000000000000 40.078 > 2 6 Ca 0.00000000000000 0.75000000000000 0.00000000000000 40.078 > 2 7 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 2 8 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 2 9 Ca 0.50000000000000 0.25000000000000 0.25000000000000 40.078 > 3 10 Ca 0.50000000000000 0.75000000000000 0.25000000000000 40.078 > 3 11 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 3 12 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 3 13 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 4 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 4 15 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 4 16 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 4 *17 Ca 0.72780881491918 0.37500000000000 0.00511296928661 40.078 > 5 18 Ca 0.72780881491918 0.87500000000000 0.00511296928661 40.078 > 5 19 Ca 0.72780881491918 0.37500000000000 0.50511296928661 40.078 > 5 20 Ca 0.72780881491918 0.87500000000000 0.50511296928661 40.078 > 5 21 Ca 0.22780881491918 0.37500000000000 0.24488703071339 40.078 > 6 22 Ca 0.22780881491918 0.87500000000000 0.24488703071339 40.078 > 6 23 Ca 0.22780881491918 0.37500000000000 0.74488703071339 40.078 > 6 24 Ca 0.22780881491918 0.87500000000000 0.74488703071339 40.078 > 6 25 Ca 0.27219118508082 0.12500000000000 0.49488703071339 40.078 > 7 26 Ca 0.27219118508082 0.62500000000000 0.49488703071339 40.078 > 7 27 Ca 0.27219118508082 0.12500000000000 0.99488703071339 40.078 > 7 28 Ca 0.27219118508082 0.62500000000000 0.99488703071339 40.078 > 7 29 Ca 0.77219118508082 0.12500000000000 0.25511296928661 40.078 > 8 30 Ca 0.77219118508082 0.62500000000000 0.25511296928661 40.078 > 8 31 Ca 0.77219118508082 0.12500000000000 0.75511296928661 40.078 > 8 32 Ca 0.77219118508082 0.62500000000000 0.75511296928661 40.078 > 8 *33 Sn 0.90650330532381 0.37500000000000 0.29269715064564 118.710 > 9 34 Sn 0.90650330532381 0.87500000000000 0.29269715064564 118.710 > 9 35 Sn 0.90650330532381 0.37500000000000 0.79269715064564 118.710 > 9 36 Sn 0.90650330532381 0.87500000000000 0.79269715064564 118.710 > 9 37 Sn 0.40650330532382 0.37500000000000 0.45730284935436 118.710 > 10 38 Sn 0.40650330532382 0.87500000000000 0.45730284935436 118.710 > 10 39 Sn 0.40650330532382 0.37500000000000 0.95730284935436 118.710 > 10 40 Sn 0.40650330532382 0.87500000000000 0.95730284935436 118.710 > 10 41 Sn 0.09349669467619 0.12500000000000 0.20730284935436 118.710 > 11 42 Sn 0.09349669467619 0.62500000000000 0.20730284935436 118.710 > 11 43 Sn 0.09349669467619 0.12500000000000 0.70730284935436 118.710 > 11 44 Sn 0.09349669467619 0.62500000000000 0.70730284935436 118.710 > 11 45 Sn 0.59349669467619 0.12500000000000 0.04269715064564 118.710 > 12 46 Sn 0.59349669467619 0.62500000000000 0.04269715064564 118.710 > 12 47 Sn 0.59349669467619 0.12500000000000 0.54269715064564 118.710 > 12 48 Sn 0.59349669467619 0.62500000000000 0.54269715064564 118.710 > 12 *49 S 0.06536432825678 0.37500000000000 0.37045775074179 32.065 > 13 50 S 0.06536432825678 0.87500000000000 0.37045775074179 32.065 > 13 51 S 0.06536432825678 0.37500000000000 0.87045775074179 32.065 > 13 52 S 0.06536432825678 0.87500000000000 0.87045775074179 32.065 > 13 53 S 0.56536432825678 0.37500000000000 0.37954224925821 32.065 > 14 54 S 0.56536432825678 0.87500000000000 0.37954224925821 32.065 > 14 55 S 0.56536432825678 0.37500000000000 0.87954224925821 32.065 > 14 56 S 0.56536432825678 0.87500000000000 0.87954224925821 32.065 > 14 57 S 0.93463567174322 0.12500000000000 0.12954224925821 32.065 > 15 58 S 0.93463567174322 0.62500000000000 0.12954224925821 32.065 > 15 59 S 0.93463567174322 0.12500000000000 0.62954224925821 32.065 > 15 60 S 0.93463567174322 0.62500000000000 0.62954224925821 32.065 > 15 61 S 0.43463567174322 0.12500000000000 0.12045775074180 32.065 > 16 62 S 0.43463567174322 0.62500000000000 0.12045775074180 32.065 > 16 63 S 0.43463567174322 0.12500000000000 0.62045775074179 32.065 > 16 64 S 0.43463567174322 0.62500000000000 0.62045775074179 32.065 > 16 *65 S 0.90657503176362 0.37500000000000 0.11025413003042 32.065 > 17 66 S 0.90657503176362 0.87500000000000 0.11025413003042 32.065 > 17 67 S 0.90657503176362 0.37500000000000 0.61025413003042 32.065 > 17 68 S 0.90657503176362 0.87500000000000 0.61025413003042 32.065 > 17 69 S 0.40657503176362 0.37500000000000 0.13974586996958 32.065 > 18 70 S 0.40657503176362 0.87500000000000 0.13974586996958 32.065 > 18 71 S 0.40657503176362 0.37500000000000 0.63974586996958 32.065 > 18 72 S 0.40657503176362 0.87500000000000 0.63974586996958 32.065 > 18 73 S 0.09342496823638 0.12500000000000 0.38974586996958 32.065 > 19 74 S 0.09342496823638 0.62500000000000 0.38974586996958 32.065 > 19 75 S 0.09342496823638 0.12500000000000 0.88974586996958 32.065 > 19 76 S 0.09342496823638 0.62500000000000 0.88974586996958 32.065 > 19 77 S 0.59342496823638 0.12500000000000 0.36025413003042 32.065 > 20 78 S 0.59342496823638 0.62500000000000 0.36025413003042 32.065 > 20 79 S 0.59342496823638 0.12500000000000 0.86025413003042 32.065 > 20 80 S 0.59342496823638 0.62500000000000 0.86025413003042 32.065 > 20 *81 S 0.82956267586710 0.48927525722775 0.37696605449210 32.065 > 21 82 S 0.82956267586710 0.98927525722775 0.37696605449210 32.065 > 21 83 S 0.82956267586710 0.48927525722775 0.87696605449210 32.065 > 21 84 S 0.82956267586710 0.98927525722775 0.87696605449210 32.065 > 21 85 S 0.32956267586710 0.26072474277225 0.37303394550790 32.065 > 22 86 S 0.32956267586710 0.76072474277225 0.37303394550790 32.065 > 22 87 S 0.32956267586710 0.26072474277225 0.87303394550790 32.065 > 22 88 S 0.32956267586710 0.76072474277225 0.87303394550790 32.065 > 22 89 S 0.17043732413290 0.23927525722775 0.12303394550790 32.065 > 23 90 S 0.17043732413290 0.73927525722775 0.12303394550790 32.065 > 23 91 S 0.17043732413290 0.23927525722775 0.62303394550790 32.065 > 23 92 S 0.17043732413290 0.73927525722775 0.62303394550790 32.065 > 23 93 S 0.67043732413290 0.01072474277225 0.12696605449210 32.065 > 24 94 S 0.67043732413290 0.51072474277225 0.12696605449210 32.065 > 24 95 S 0.67043732413290 0.01072474277225 0.62696605449210 32.065 > 24 96 S 0.67043732413290 0.51072474277225 0.62696605449210 32.065 > 24 97 S 0.17043732413290 0.01072474277225 0.12303394550790 32.065 > 25 98 S 0.17043732413290 0.51072474277225 0.12303394550790 32.065 > 25 99 S 0.17043732413290 0.01072474277225 0.62303394550790 32.065 > 25 100 S 0.17043732413290 0.51072474277225 0.62303394550790 32.065 > 25 101 S 0.67043732413290 0.23927525722775 0.12696605449210 32.065 > 26 102 S 0.67043732413290 0.73927525722775 0.12696605449210 32.065 > 26 103 S 0.67043732413290 0.23927525722775 0.62696605449210 32.065 > 26 104 S 0.67043732413290 0.73927525722775 0.62696605449210 32.065 > 26 105 S 0.82956267586710 0.26072474277225 0.37696605449210 32.065 > 27 106 S 0.82956267586710 0.76072474277225 0.37696605449210 32.065 > 27 107 S 0.82956267586710 0.26072474277225 0.87696605449210 32.065 > 27 108 S 0.82956267586710 0.76072474277225 0.87696605449210 32.065 > 27 109 S 0.32956267586710 0.48927525722775 0.37303394550790 32.065 > 28 110 S 0.32956267586710 0.98927525722775 0.37303394550790 32.065 > 28 111 S 0.32956267586710 0.48927525722775 0.87303394550790 32.065 > 28 112 S 0.32956267586710 0.98927525722775 0.87303394550790 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8143736 0.0000000 0.0000000 0.0000000 4.8160361 0.0000000 0.0000000 0.0000000 5.4956514 -------------------------- Born effective charges -------------------------- 1 Ca 1.8458521 0.7220983 -0.2289712 0.5629026 2.4181181 -0.4227164 0.1366722 0.1549905 2.6298622 2 Ca 1.8458521 -0.7220983 0.2289712 -0.5629026 2.4181181 -0.4227164 -0.1366722 0.1549905 2.6298622 3 Ca 1.8458521 -0.7220983 -0.2289712 -0.5629026 2.4181181 0.4227164 0.1366722 -0.1549905 2.6298622 4 Ca 1.8458521 0.7220983 0.2289712 0.5629026 2.4181181 0.4227164 -0.1366722 -0.1549905 2.6298622 5 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 6 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 7 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 8 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 9 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 10 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 11 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 12 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 13 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 14 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 15 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 16 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 17 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 18 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 19 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 20 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 21 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 22 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 23 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 24 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 25 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 26 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 27 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 28 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.113 Solver_block: 200 / 480 - Time: 3.082 Solver_block: 300 / 480 - Time: 3.073 Solver_block: 400 / 480 - Time: 3.073 Solver_block: 480 / 480 - Time: 2.496 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.889 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:18:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:18:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.150057929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.493452330000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 5 Ca 0.72780881491918 0.75000000000000 0.01022593857323 40.078 6 Ca 0.22780881491918 0.75000000000000 0.48977406142677 40.078 7 Ca 0.27219118508082 0.25000000000000 0.98977406142677 40.078 8 Ca 0.77219118508082 0.25000000000000 0.51022593857323 40.078 9 Sn 0.90650330532381 0.75000000000000 0.58539430129129 118.710 10 Sn 0.40650330532382 0.75000000000000 0.91460569870871 118.710 11 Sn 0.09349669467619 0.25000000000000 0.41460569870871 118.710 12 Sn 0.59349669467619 0.25000000000000 0.08539430129129 118.710 13 S 0.06536432825678 0.75000000000000 0.74091550148359 32.065 14 S 0.56536432825678 0.75000000000000 0.75908449851641 32.065 15 S 0.93463567174322 0.25000000000000 0.25908449851641 32.065 16 S 0.43463567174322 0.25000000000000 0.24091550148359 32.065 17 S 0.90657503176362 0.75000000000000 0.22050826006085 32.065 18 S 0.40657503176362 0.75000000000000 0.27949173993915 32.065 19 S 0.09342496823638 0.25000000000000 0.77949173993915 32.065 20 S 0.59342496823638 0.25000000000000 0.72050826006085 32.065 21 S 0.82956267586710 0.97855051445550 0.75393210898420 32.065 22 S 0.32956267586710 0.52144948554450 0.74606789101580 32.065 23 S 0.17043732413290 0.47855051445550 0.24606789101580 32.065 24 S 0.67043732413290 0.02144948554450 0.25393210898420 32.065 25 S 0.17043732413290 0.02144948554450 0.24606789101580 32.065 26 S 0.67043732413290 0.47855051445550 0.25393210898420 32.065 27 S 0.82956267586710 0.52144948554450 0.75393210898420 32.065 28 S 0.32956267586710 0.97855051445550 0.74606789101580 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.300115859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.986904660000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.25000000000000 0.00000000000000 40.078 > 5 6 Ca 0.00000000000000 0.75000000000000 0.00000000000000 40.078 > 5 7 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 5 8 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 5 9 Ca 0.50000000000000 0.25000000000000 0.25000000000000 40.078 > 9 10 Ca 0.50000000000000 0.75000000000000 0.25000000000000 40.078 > 9 11 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 9 12 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 9 13 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 13 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 13 15 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 13 16 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 13 17 Ca 0.72780881491918 0.37500000000000 0.00511296928661 40.078 > 17 18 Ca 0.72780881491918 0.87500000000000 0.00511296928661 40.078 > 17 19 Ca 0.72780881491918 0.37500000000000 0.50511296928661 40.078 > 17 20 Ca 0.72780881491918 0.87500000000000 0.50511296928661 40.078 > 17 21 Ca 0.22780881491918 0.37500000000000 0.24488703071339 40.078 > 21 22 Ca 0.22780881491918 0.87500000000000 0.24488703071339 40.078 > 21 23 Ca 0.22780881491918 0.37500000000000 0.74488703071339 40.078 > 21 24 Ca 0.22780881491918 0.87500000000000 0.74488703071339 40.078 > 21 25 Ca 0.27219118508082 0.12500000000000 0.49488703071339 40.078 > 25 26 Ca 0.27219118508082 0.62500000000000 0.49488703071339 40.078 > 25 27 Ca 0.27219118508082 0.12500000000000 0.99488703071339 40.078 > 25 28 Ca 0.27219118508082 0.62500000000000 0.99488703071339 40.078 > 25 29 Ca 0.77219118508082 0.12500000000000 0.25511296928661 40.078 > 29 30 Ca 0.77219118508082 0.62500000000000 0.25511296928661 40.078 > 29 31 Ca 0.77219118508082 0.12500000000000 0.75511296928661 40.078 > 29 32 Ca 0.77219118508082 0.62500000000000 0.75511296928661 40.078 > 29 33 Sn 0.90650330532381 0.37500000000000 0.29269715064564 118.710 > 33 34 Sn 0.90650330532381 0.87500000000000 0.29269715064564 118.710 > 33 35 Sn 0.90650330532381 0.37500000000000 0.79269715064564 118.710 > 33 36 Sn 0.90650330532381 0.87500000000000 0.79269715064564 118.710 > 33 37 Sn 0.40650330532382 0.37500000000000 0.45730284935436 118.710 > 37 38 Sn 0.40650330532382 0.87500000000000 0.45730284935436 118.710 > 37 39 Sn 0.40650330532382 0.37500000000000 0.95730284935436 118.710 > 37 40 Sn 0.40650330532382 0.87500000000000 0.95730284935436 118.710 > 37 41 Sn 0.09349669467619 0.12500000000000 0.20730284935436 118.710 > 41 42 Sn 0.09349669467619 0.62500000000000 0.20730284935436 118.710 > 41 43 Sn 0.09349669467619 0.12500000000000 0.70730284935436 118.710 > 41 44 Sn 0.09349669467619 0.62500000000000 0.70730284935436 118.710 > 41 45 Sn 0.59349669467619 0.12500000000000 0.04269715064564 118.710 > 45 46 Sn 0.59349669467619 0.62500000000000 0.04269715064564 118.710 > 45 47 Sn 0.59349669467619 0.12500000000000 0.54269715064564 118.710 > 45 48 Sn 0.59349669467619 0.62500000000000 0.54269715064564 118.710 > 45 49 S 0.06536432825678 0.37500000000000 0.37045775074179 32.065 > 49 50 S 0.06536432825678 0.87500000000000 0.37045775074179 32.065 > 49 51 S 0.06536432825678 0.37500000000000 0.87045775074179 32.065 > 49 52 S 0.06536432825678 0.87500000000000 0.87045775074179 32.065 > 49 53 S 0.56536432825678 0.37500000000000 0.37954224925821 32.065 > 53 54 S 0.56536432825678 0.87500000000000 0.37954224925821 32.065 > 53 55 S 0.56536432825678 0.37500000000000 0.87954224925821 32.065 > 53 56 S 0.56536432825678 0.87500000000000 0.87954224925821 32.065 > 53 57 S 0.93463567174322 0.12500000000000 0.12954224925821 32.065 > 57 58 S 0.93463567174322 0.62500000000000 0.12954224925821 32.065 > 57 59 S 0.93463567174322 0.12500000000000 0.62954224925821 32.065 > 57 60 S 0.93463567174322 0.62500000000000 0.62954224925821 32.065 > 57 61 S 0.43463567174322 0.12500000000000 0.12045775074180 32.065 > 61 62 S 0.43463567174322 0.62500000000000 0.12045775074180 32.065 > 61 63 S 0.43463567174322 0.12500000000000 0.62045775074179 32.065 > 61 64 S 0.43463567174322 0.62500000000000 0.62045775074179 32.065 > 61 65 S 0.90657503176362 0.37500000000000 0.11025413003042 32.065 > 65 66 S 0.90657503176362 0.87500000000000 0.11025413003042 32.065 > 65 67 S 0.90657503176362 0.37500000000000 0.61025413003042 32.065 > 65 68 S 0.90657503176362 0.87500000000000 0.61025413003042 32.065 > 65 69 S 0.40657503176362 0.37500000000000 0.13974586996958 32.065 > 69 70 S 0.40657503176362 0.87500000000000 0.13974586996958 32.065 > 69 71 S 0.40657503176362 0.37500000000000 0.63974586996958 32.065 > 69 72 S 0.40657503176362 0.87500000000000 0.63974586996958 32.065 > 69 73 S 0.09342496823638 0.12500000000000 0.38974586996958 32.065 > 73 74 S 0.09342496823638 0.62500000000000 0.38974586996958 32.065 > 73 75 S 0.09342496823638 0.12500000000000 0.88974586996958 32.065 > 73 76 S 0.09342496823638 0.62500000000000 0.88974586996958 32.065 > 73 77 S 0.59342496823638 0.12500000000000 0.36025413003042 32.065 > 77 78 S 0.59342496823638 0.62500000000000 0.36025413003042 32.065 > 77 79 S 0.59342496823638 0.12500000000000 0.86025413003042 32.065 > 77 80 S 0.59342496823638 0.62500000000000 0.86025413003042 32.065 > 77 81 S 0.82956267586710 0.48927525722775 0.37696605449210 32.065 > 81 82 S 0.82956267586710 0.98927525722775 0.37696605449210 32.065 > 81 83 S 0.82956267586710 0.48927525722775 0.87696605449210 32.065 > 81 84 S 0.82956267586710 0.98927525722775 0.87696605449210 32.065 > 81 85 S 0.32956267586710 0.26072474277225 0.37303394550790 32.065 > 85 86 S 0.32956267586710 0.76072474277225 0.37303394550790 32.065 > 85 87 S 0.32956267586710 0.26072474277225 0.87303394550790 32.065 > 85 88 S 0.32956267586710 0.76072474277225 0.87303394550790 32.065 > 85 89 S 0.17043732413290 0.23927525722775 0.12303394550790 32.065 > 89 90 S 0.17043732413290 0.73927525722775 0.12303394550790 32.065 > 89 91 S 0.17043732413290 0.23927525722775 0.62303394550790 32.065 > 89 92 S 0.17043732413290 0.73927525722775 0.62303394550790 32.065 > 89 93 S 0.67043732413290 0.01072474277225 0.12696605449210 32.065 > 93 94 S 0.67043732413290 0.51072474277225 0.12696605449210 32.065 > 93 95 S 0.67043732413290 0.01072474277225 0.62696605449210 32.065 > 93 96 S 0.67043732413290 0.51072474277225 0.62696605449210 32.065 > 93 97 S 0.17043732413290 0.01072474277225 0.12303394550790 32.065 > 97 98 S 0.17043732413290 0.51072474277225 0.12303394550790 32.065 > 97 99 S 0.17043732413290 0.01072474277225 0.62303394550790 32.065 > 97 100 S 0.17043732413290 0.51072474277225 0.62303394550790 32.065 > 97 101 S 0.67043732413290 0.23927525722775 0.12696605449210 32.065 > 101 102 S 0.67043732413290 0.73927525722775 0.12696605449210 32.065 > 101 103 S 0.67043732413290 0.23927525722775 0.62696605449210 32.065 > 101 104 S 0.67043732413290 0.73927525722775 0.62696605449210 32.065 > 101 105 S 0.82956267586710 0.26072474277225 0.37696605449210 32.065 > 105 106 S 0.82956267586710 0.76072474277225 0.37696605449210 32.065 > 105 107 S 0.82956267586710 0.26072474277225 0.87696605449210 32.065 > 105 108 S 0.82956267586710 0.76072474277225 0.87696605449210 32.065 > 105 109 S 0.32956267586710 0.48927525722775 0.37303394550790 32.065 > 109 110 S 0.32956267586710 0.98927525722775 0.37303394550790 32.065 > 109 111 S 0.32956267586710 0.48927525722775 0.87303394550790 32.065 > 109 112 S 0.32956267586710 0.98927525722775 0.87303394550790 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8143736 0.0000000 0.0000000 0.0000000 4.8160361 0.0000000 0.0000000 0.0000000 5.4956514 -------------------------- Born effective charges -------------------------- 1 Ca 1.8458521 0.7220983 -0.2289712 0.5629026 2.4181181 -0.4227164 0.1366722 0.1549905 2.6298622 2 Ca 1.8458521 -0.7220983 0.2289712 -0.5629026 2.4181181 -0.4227164 -0.1366722 0.1549905 2.6298622 3 Ca 1.8458521 -0.7220983 -0.2289712 -0.5629026 2.4181181 0.4227164 0.1366722 -0.1549905 2.6298622 4 Ca 1.8458521 0.7220983 0.2289712 0.5629026 2.4181181 0.4227164 -0.1366722 -0.1549905 2.6298622 5 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 6 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 7 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 8 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 9 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 10 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 11 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 12 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 13 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 14 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 15 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 16 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 17 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 18 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 19 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 20 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 21 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 22 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 23 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 24 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 25 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 26 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 27 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 28 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:18:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.150057929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.493452330000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 5 Ca 0.72780881491918 0.75000000000000 0.01022593857323 40.078 6 Ca 0.22780881491918 0.75000000000000 0.48977406142677 40.078 7 Ca 0.27219118508082 0.25000000000000 0.98977406142677 40.078 8 Ca 0.77219118508082 0.25000000000000 0.51022593857323 40.078 9 Sn 0.90650330532381 0.75000000000000 0.58539430129129 118.710 10 Sn 0.40650330532382 0.75000000000000 0.91460569870871 118.710 11 Sn 0.09349669467619 0.25000000000000 0.41460569870871 118.710 12 Sn 0.59349669467619 0.25000000000000 0.08539430129129 118.710 13 S 0.06536432825678 0.75000000000000 0.74091550148359 32.065 14 S 0.56536432825678 0.75000000000000 0.75908449851641 32.065 15 S 0.93463567174322 0.25000000000000 0.25908449851641 32.065 16 S 0.43463567174322 0.25000000000000 0.24091550148359 32.065 17 S 0.90657503176362 0.75000000000000 0.22050826006085 32.065 18 S 0.40657503176362 0.75000000000000 0.27949173993915 32.065 19 S 0.09342496823638 0.25000000000000 0.77949173993915 32.065 20 S 0.59342496823638 0.25000000000000 0.72050826006085 32.065 21 S 0.82956267586710 0.97855051445550 0.75393210898420 32.065 22 S 0.32956267586710 0.52144948554450 0.74606789101580 32.065 23 S 0.17043732413290 0.47855051445550 0.24606789101580 32.065 24 S 0.67043732413290 0.02144948554450 0.25393210898420 32.065 25 S 0.17043732413290 0.02144948554450 0.24606789101580 32.065 26 S 0.67043732413290 0.47855051445550 0.25393210898420 32.065 27 S 0.82956267586710 0.52144948554450 0.75393210898420 32.065 28 S 0.32956267586710 0.97855051445550 0.74606789101580 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.801025119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.300115859999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.986904660000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.25000000000000 0.00000000000000 40.078 > 5 6 Ca 0.00000000000000 0.75000000000000 0.00000000000000 40.078 > 5 7 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 5 8 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 5 9 Ca 0.50000000000000 0.25000000000000 0.25000000000000 40.078 > 9 10 Ca 0.50000000000000 0.75000000000000 0.25000000000000 40.078 > 9 11 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 9 12 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 9 13 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 13 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 13 15 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 13 16 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 13 17 Ca 0.72780881491918 0.37500000000000 0.00511296928661 40.078 > 17 18 Ca 0.72780881491918 0.87500000000000 0.00511296928661 40.078 > 17 19 Ca 0.72780881491918 0.37500000000000 0.50511296928661 40.078 > 17 20 Ca 0.72780881491918 0.87500000000000 0.50511296928661 40.078 > 17 21 Ca 0.22780881491918 0.37500000000000 0.24488703071339 40.078 > 21 22 Ca 0.22780881491918 0.87500000000000 0.24488703071339 40.078 > 21 23 Ca 0.22780881491918 0.37500000000000 0.74488703071339 40.078 > 21 24 Ca 0.22780881491918 0.87500000000000 0.74488703071339 40.078 > 21 25 Ca 0.27219118508082 0.12500000000000 0.49488703071339 40.078 > 25 26 Ca 0.27219118508082 0.62500000000000 0.49488703071339 40.078 > 25 27 Ca 0.27219118508082 0.12500000000000 0.99488703071339 40.078 > 25 28 Ca 0.27219118508082 0.62500000000000 0.99488703071339 40.078 > 25 29 Ca 0.77219118508082 0.12500000000000 0.25511296928661 40.078 > 29 30 Ca 0.77219118508082 0.62500000000000 0.25511296928661 40.078 > 29 31 Ca 0.77219118508082 0.12500000000000 0.75511296928661 40.078 > 29 32 Ca 0.77219118508082 0.62500000000000 0.75511296928661 40.078 > 29 33 Sn 0.90650330532381 0.37500000000000 0.29269715064564 118.710 > 33 34 Sn 0.90650330532381 0.87500000000000 0.29269715064564 118.710 > 33 35 Sn 0.90650330532381 0.37500000000000 0.79269715064564 118.710 > 33 36 Sn 0.90650330532381 0.87500000000000 0.79269715064564 118.710 > 33 37 Sn 0.40650330532382 0.37500000000000 0.45730284935436 118.710 > 37 38 Sn 0.40650330532382 0.87500000000000 0.45730284935436 118.710 > 37 39 Sn 0.40650330532382 0.37500000000000 0.95730284935436 118.710 > 37 40 Sn 0.40650330532382 0.87500000000000 0.95730284935436 118.710 > 37 41 Sn 0.09349669467619 0.12500000000000 0.20730284935436 118.710 > 41 42 Sn 0.09349669467619 0.62500000000000 0.20730284935436 118.710 > 41 43 Sn 0.09349669467619 0.12500000000000 0.70730284935436 118.710 > 41 44 Sn 0.09349669467619 0.62500000000000 0.70730284935436 118.710 > 41 45 Sn 0.59349669467619 0.12500000000000 0.04269715064564 118.710 > 45 46 Sn 0.59349669467619 0.62500000000000 0.04269715064564 118.710 > 45 47 Sn 0.59349669467619 0.12500000000000 0.54269715064564 118.710 > 45 48 Sn 0.59349669467619 0.62500000000000 0.54269715064564 118.710 > 45 49 S 0.06536432825678 0.37500000000000 0.37045775074179 32.065 > 49 50 S 0.06536432825678 0.87500000000000 0.37045775074179 32.065 > 49 51 S 0.06536432825678 0.37500000000000 0.87045775074179 32.065 > 49 52 S 0.06536432825678 0.87500000000000 0.87045775074179 32.065 > 49 53 S 0.56536432825678 0.37500000000000 0.37954224925821 32.065 > 53 54 S 0.56536432825678 0.87500000000000 0.37954224925821 32.065 > 53 55 S 0.56536432825678 0.37500000000000 0.87954224925821 32.065 > 53 56 S 0.56536432825678 0.87500000000000 0.87954224925821 32.065 > 53 57 S 0.93463567174322 0.12500000000000 0.12954224925821 32.065 > 57 58 S 0.93463567174322 0.62500000000000 0.12954224925821 32.065 > 57 59 S 0.93463567174322 0.12500000000000 0.62954224925821 32.065 > 57 60 S 0.93463567174322 0.62500000000000 0.62954224925821 32.065 > 57 61 S 0.43463567174322 0.12500000000000 0.12045775074180 32.065 > 61 62 S 0.43463567174322 0.62500000000000 0.12045775074180 32.065 > 61 63 S 0.43463567174322 0.12500000000000 0.62045775074179 32.065 > 61 64 S 0.43463567174322 0.62500000000000 0.62045775074179 32.065 > 61 65 S 0.90657503176362 0.37500000000000 0.11025413003042 32.065 > 65 66 S 0.90657503176362 0.87500000000000 0.11025413003042 32.065 > 65 67 S 0.90657503176362 0.37500000000000 0.61025413003042 32.065 > 65 68 S 0.90657503176362 0.87500000000000 0.61025413003042 32.065 > 65 69 S 0.40657503176362 0.37500000000000 0.13974586996958 32.065 > 69 70 S 0.40657503176362 0.87500000000000 0.13974586996958 32.065 > 69 71 S 0.40657503176362 0.37500000000000 0.63974586996958 32.065 > 69 72 S 0.40657503176362 0.87500000000000 0.63974586996958 32.065 > 69 73 S 0.09342496823638 0.12500000000000 0.38974586996958 32.065 > 73 74 S 0.09342496823638 0.62500000000000 0.38974586996958 32.065 > 73 75 S 0.09342496823638 0.12500000000000 0.88974586996958 32.065 > 73 76 S 0.09342496823638 0.62500000000000 0.88974586996958 32.065 > 73 77 S 0.59342496823638 0.12500000000000 0.36025413003042 32.065 > 77 78 S 0.59342496823638 0.62500000000000 0.36025413003042 32.065 > 77 79 S 0.59342496823638 0.12500000000000 0.86025413003042 32.065 > 77 80 S 0.59342496823638 0.62500000000000 0.86025413003042 32.065 > 77 81 S 0.82956267586710 0.48927525722775 0.37696605449210 32.065 > 81 82 S 0.82956267586710 0.98927525722775 0.37696605449210 32.065 > 81 83 S 0.82956267586710 0.48927525722775 0.87696605449210 32.065 > 81 84 S 0.82956267586710 0.98927525722775 0.87696605449210 32.065 > 81 85 S 0.32956267586710 0.26072474277225 0.37303394550790 32.065 > 85 86 S 0.32956267586710 0.76072474277225 0.37303394550790 32.065 > 85 87 S 0.32956267586710 0.26072474277225 0.87303394550790 32.065 > 85 88 S 0.32956267586710 0.76072474277225 0.87303394550790 32.065 > 85 89 S 0.17043732413290 0.23927525722775 0.12303394550790 32.065 > 89 90 S 0.17043732413290 0.73927525722775 0.12303394550790 32.065 > 89 91 S 0.17043732413290 0.23927525722775 0.62303394550790 32.065 > 89 92 S 0.17043732413290 0.73927525722775 0.62303394550790 32.065 > 89 93 S 0.67043732413290 0.01072474277225 0.12696605449210 32.065 > 93 94 S 0.67043732413290 0.51072474277225 0.12696605449210 32.065 > 93 95 S 0.67043732413290 0.01072474277225 0.62696605449210 32.065 > 93 96 S 0.67043732413290 0.51072474277225 0.62696605449210 32.065 > 93 97 S 0.17043732413290 0.01072474277225 0.12303394550790 32.065 > 97 98 S 0.17043732413290 0.51072474277225 0.12303394550790 32.065 > 97 99 S 0.17043732413290 0.01072474277225 0.62303394550790 32.065 > 97 100 S 0.17043732413290 0.51072474277225 0.62303394550790 32.065 > 97 101 S 0.67043732413290 0.23927525722775 0.12696605449210 32.065 > 101 102 S 0.67043732413290 0.73927525722775 0.12696605449210 32.065 > 101 103 S 0.67043732413290 0.23927525722775 0.62696605449210 32.065 > 101 104 S 0.67043732413290 0.73927525722775 0.62696605449210 32.065 > 101 105 S 0.82956267586710 0.26072474277225 0.37696605449210 32.065 > 105 106 S 0.82956267586710 0.76072474277225 0.37696605449210 32.065 > 105 107 S 0.82956267586710 0.26072474277225 0.87696605449210 32.065 > 105 108 S 0.82956267586710 0.76072474277225 0.87696605449210 32.065 > 105 109 S 0.32956267586710 0.48927525722775 0.37303394550790 32.065 > 109 110 S 0.32956267586710 0.98927525722775 0.37303394550790 32.065 > 109 111 S 0.32956267586710 0.48927525722775 0.87303394550790 32.065 > 109 112 S 0.32956267586710 0.98927525722775 0.87303394550790 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8143736 0.0000000 0.0000000 0.0000000 4.8160361 0.0000000 0.0000000 0.0000000 5.4956514 -------------------------- Born effective charges -------------------------- 1 Ca 1.8458521 0.7220983 -0.2289712 0.5629026 2.4181181 -0.4227164 0.1366722 0.1549905 2.6298622 2 Ca 1.8458521 -0.7220983 0.2289712 -0.5629026 2.4181181 -0.4227164 -0.1366722 0.1549905 2.6298622 3 Ca 1.8458521 -0.7220983 -0.2289712 -0.5629026 2.4181181 0.4227164 0.1366722 -0.1549905 2.6298622 4 Ca 1.8458521 0.7220983 0.2289712 0.5629026 2.4181181 0.4227164 -0.1366722 -0.1549905 2.6298622 5 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 6 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 7 Ca 2.8793059 0.0000000 -0.1100886 0.0000000 2.5032141 0.0000000 0.1962869 0.0000000 2.2557116 8 Ca 2.8793059 0.0000000 0.1100886 0.0000000 2.5032141 0.0000000 -0.1962869 0.0000000 2.2557116 9 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 10 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 11 Sn 2.4453201 0.0000000 0.0227606 0.0000000 2.6272306 0.0000000 0.0205824 0.0000000 3.3983442 12 Sn 2.4453201 0.0000000 -0.0227606 0.0000000 2.6272306 0.0000000 -0.0205824 0.0000000 3.3983442 13 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 14 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 15 S -2.3243953 0.0000000 -0.0343246 0.0000000 -1.5056271 0.0000000 0.1629012 0.0000000 -1.8983955 16 S -2.3243953 0.0000000 0.0343246 0.0000000 -1.5056271 0.0000000 -0.1629012 0.0000000 -1.8983955 17 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 18 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 19 S -1.5326403 0.0000000 0.0623159 0.0000000 -1.4565327 0.0000000 0.0911281 0.0000000 -2.7547072 20 S -1.5326403 0.0000000 -0.0623159 0.0000000 -1.4565327 0.0000000 -0.0911281 0.0000000 -2.7547072 21 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 22 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 23 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 24 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 25 S -1.6567212 0.2393688 -0.0013877 0.2779305 -2.2932015 0.0217579 -0.0686121 0.1524663 -1.8154077 26 S -1.6567212 -0.2393688 0.0013877 -0.2779305 -2.2932015 0.0217579 0.0686121 0.1524663 -1.8154077 27 S -1.6567212 -0.2393688 -0.0013877 -0.2779305 -2.2932015 -0.0217579 -0.0686121 -0.1524663 -1.8154077 28 S -1.6567212 0.2393688 0.0013877 0.2779305 -2.2932015 -0.0217579 0.0686121 -0.1524663 -1.8154077 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 8 ] 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: 0.46, Number of G-points: 287, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.105 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.000 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.295 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 21.800 0.000 0.000) 21.800 0.465 ( 25.364 0.000 0.000) 25.364 0.726 ( 38.563 0.000 0.000) 38.563 1.037 ( -9.281 0.000 0.000) 9.281 1.338 ( -20.360 0.000 0.000) 20.360 1.501 ( 1.258 0.000 0.000) 1.258 1.689 ( -3.540 0.000 0.000) 3.540 1.831 ( 11.359 0.000 0.000) 11.359 1.896 ( -20.805 0.000 0.000) 20.805 1.973 ( 1.912 0.000 0.000) 1.912 2.070 ( -3.489 0.000 0.000) 3.489 2.130 ( -3.810 0.000 0.000) 3.810 2.319 ( 16.100 0.000 0.000) 16.100 2.542 ( -0.339 0.000 0.000) 0.339 2.648 ( -5.101 0.000 0.000) 5.101 2.672 ( 1.164 0.000 0.000) 1.164 2.921 ( 2.358 0.000 0.000) 2.358 2.969 ( -2.034 0.000 0.000) 2.034 3.018 ( -2.016 0.000 0.000) 2.016 3.041 ( -7.178 0.000 0.000) 7.178 3.142 ( 16.457 0.000 0.000) 16.457 3.506 ( -3.720 0.000 0.000) 3.720 3.531 ( -6.464 0.000 0.000) 6.464 3.564 ( 6.385 0.000 0.000) 6.385 3.880 ( 8.405 0.000 0.000) 8.405 3.908 ( -10.438 0.000 0.000) 10.438 3.998 ( -23.934 0.000 0.000) 23.934 4.111 ( 2.403 0.000 0.000) 2.403 4.236 ( 5.915 0.000 0.000) 5.915 4.451 ( -4.669 0.000 0.000) 4.669 4.975 ( 1.088 0.000 0.000) 1.088 5.031 ( -2.079 0.000 0.000) 2.079 5.031 ( 7.392 0.000 0.000) 7.392 5.082 ( 9.165 0.000 0.000) 9.165 5.198 ( 9.282 0.000 0.000) 9.282 5.235 ( 11.780 0.000 0.000) 11.780 5.241 ( -5.603 0.000 0.000) 5.603 5.242 ( 6.402 0.000 0.000) 6.402 5.582 ( 3.549 0.000 0.000) 3.549 5.654 ( -7.014 0.000 0.000) 7.014 5.761 ( -10.128 0.000 0.000) 10.128 5.856 ( -20.702 0.000 0.000) 20.702 6.038 ( 6.435 0.000 0.000) 6.435 6.187 ( 1.499 0.000 0.000) 1.499 6.199 ( 0.408 0.000 0.000) 0.408 6.231 ( -3.459 0.000 0.000) 3.459 6.362 ( 0.253 0.000 0.000) 0.253 6.397 ( 7.304 0.000 0.000) 7.304 6.513 ( -2.980 0.000 0.000) 2.980 6.576 ( 13.598 0.000 0.000) 13.598 6.605 ( -1.083 0.000 0.000) 1.083 6.625 ( -2.132 0.000 0.000) 2.132 6.650 ( -1.841 0.000 0.000) 1.841 6.675 ( -4.763 0.000 0.000) 4.763 6.742 ( 2.523 0.000 0.000) 2.523 6.809 ( -0.983 0.000 0.000) 0.983 6.901 ( -0.687 0.000 0.000) 0.687 6.920 ( 0.445 0.000 0.000) 0.445 7.065 ( -2.747 0.000 0.000) 2.747 7.086 ( 3.396 0.000 0.000) 3.396 7.092 ( 0.189 0.000 0.000) 0.189 7.101 ( -0.223 0.000 0.000) 0.223 7.236 ( 0.909 0.000 0.000) 0.909 7.403 ( -3.006 0.000 0.000) 3.006 7.727 ( -0.215 0.000 0.000) 0.215 7.760 ( -2.958 0.000 0.000) 2.958 7.967 ( 6.589 0.000 0.000) 6.589 8.162 ( -3.172 0.000 0.000) 3.172 9.820 ( 0.660 0.000 0.000) 0.660 9.825 ( 0.332 0.000 0.000) 0.332 9.844 ( -0.528 0.000 0.000) 0.528 9.851 ( -0.664 0.000 0.000) 0.664 10.008 ( 0.817 0.000 0.000) 0.817 10.040 ( -0.617 0.000 0.000) 0.617 10.163 ( 1.367 0.000 0.000) 1.367 10.234 ( -1.765 0.000 0.000) 1.765 10.237 ( 0.586 0.000 0.000) 0.586 10.265 ( -0.629 0.000 0.000) 0.629 10.876 ( 0.303 0.000 0.000) 0.303 10.886 ( -0.188 0.000 0.000) 0.188 10.958 ( 1.482 0.000 0.000) 1.482 11.002 ( -0.177 0.000 0.000) 0.177 11.087 ( -0.239 0.000 0.000) 0.239 11.096 ( -0.780 0.000 0.000) 0.780 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -18.275 0.000 0.000) 18.275 0.775 ( 18.275 0.000 0.000) 18.275 0.911 ( -23.322 0.000 0.000) 23.322 0.911 ( 23.322 0.000 0.000) 23.322 1.400 ( -32.296 0.000 0.000) 32.296 1.400 ( 32.296 0.000 0.000) 32.296 1.593 ( -6.559 0.000 0.000) 6.559 1.593 ( 6.559 0.000 0.000) 6.559 2.011 ( -2.644 0.000 0.000) 2.644 2.011 ( 2.644 0.000 0.000) 2.644 2.019 ( -8.593 0.000 0.000) 8.593 2.019 ( 8.593 0.000 0.000) 8.593 2.562 ( -3.157 0.000 0.000) 3.157 2.562 ( 3.157 0.000 0.000) 3.157 2.594 ( -11.623 0.000 0.000) 11.623 2.594 ( 11.623 0.000 0.000) 11.623 2.943 ( -0.859 0.000 0.000) 0.859 2.943 ( 0.859 0.000 0.000) 0.859 2.972 ( -2.878 0.000 0.000) 2.878 2.972 ( 2.878 0.000 0.000) 2.878 3.442 ( -6.149 0.000 0.000) 6.149 3.442 ( 6.149 0.000 0.000) 6.149 3.565 ( -18.713 0.000 0.000) 18.713 3.565 ( 18.713 0.000 0.000) 18.713 3.716 ( -10.005 0.000 0.000) 10.005 3.716 ( 10.005 0.000 0.000) 10.005 4.044 ( -8.123 0.000 0.000) 8.123 4.044 ( 8.123 0.000 0.000) 8.123 4.348 ( -6.249 0.000 0.000) 6.249 4.348 ( 6.249 0.000 0.000) 6.249 4.998 ( -1.495 0.000 0.000) 1.495 4.998 ( 1.495 0.000 0.000) 1.495 5.139 ( -5.574 0.000 0.000) 5.574 5.139 ( 5.574 0.000 0.000) 5.574 5.313 ( -10.351 0.000 0.000) 10.351 5.313 ( 10.351 0.000 0.000) 10.351 5.328 ( -0.459 0.000 0.000) 0.459 5.328 ( 0.459 0.000 0.000) 0.459 5.595 ( -4.268 0.000 0.000) 4.268 5.595 ( 4.268 0.000 0.000) 4.268 5.603 ( -2.177 0.000 0.000) 2.177 5.603 ( 2.177 0.000 0.000) 2.177 6.149 ( -5.500 0.000 0.000) 5.500 6.149 ( 5.500 0.000 0.000) 5.500 6.208 ( -0.143 0.000 0.000) 0.143 6.208 ( 0.143 0.000 0.000) 0.143 6.394 ( -5.025 0.000 0.000) 5.025 6.394 ( 5.025 0.000 0.000) 5.025 6.525 ( -6.326 0.000 0.000) 6.326 6.525 ( 6.326 0.000 0.000) 6.326 6.625 ( -0.901 0.000 0.000) 0.901 6.625 ( 0.901 0.000 0.000) 0.901 6.698 ( -1.175 0.000 0.000) 1.175 6.698 ( 1.175 0.000 0.000) 1.175 6.783 ( -1.914 0.000 0.000) 1.914 6.783 ( 1.914 0.000 0.000) 1.914 6.916 ( -1.769 0.000 0.000) 1.769 6.916 ( 1.769 0.000 0.000) 1.769 7.046 ( -2.461 0.000 0.000) 2.461 7.046 ( 2.461 0.000 0.000) 2.461 7.096 ( -0.291 0.000 0.000) 0.291 7.096 ( 0.291 0.000 0.000) 0.291 7.322 ( -5.757 0.000 0.000) 5.757 7.322 ( 5.757 0.000 0.000) 5.757 7.729 ( -0.658 0.000 0.000) 0.658 7.729 ( 0.658 0.000 0.000) 0.658 8.081 ( -5.629 0.000 0.000) 5.629 8.081 ( 5.629 0.000 0.000) 5.629 9.834 ( -0.579 0.000 0.000) 0.579 9.834 ( 0.579 0.000 0.000) 0.579 9.835 ( -0.936 0.000 0.000) 0.936 9.835 ( 0.936 0.000 0.000) 0.936 10.025 ( -0.985 0.000 0.000) 0.985 10.025 ( 0.985 0.000 0.000) 0.985 10.197 ( -2.172 0.000 0.000) 2.172 10.197 ( 2.172 0.000 0.000) 2.172 10.251 ( -0.863 0.000 0.000) 0.863 10.251 ( 0.863 0.000 0.000) 0.863 10.881 ( -0.258 0.000 0.000) 0.258 10.881 ( 0.258 0.000 0.000) 0.258 10.988 ( -1.408 0.000 0.000) 1.408 10.988 ( 1.408 0.000 0.000) 1.408 11.085 ( -0.200 0.000 0.000) 0.200 11.085 ( 0.200 0.000 0.000) 0.200 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 21.580 0.000) 21.580 0.481 ( 0.000 24.387 0.000) 24.387 0.895 ( 0.000 41.238 0.000) 41.238 1.254 ( 0.000 12.122 0.000) 12.122 1.556 ( 0.000 -1.383 0.000) 1.383 1.620 ( 0.000 3.736 0.000) 3.736 1.638 ( 0.000 -1.233 0.000) 1.233 1.827 ( 0.000 -5.322 0.000) 5.322 1.933 ( 0.000 10.541 0.000) 10.541 2.103 ( 0.000 -0.541 0.000) 0.541 2.111 ( 0.000 -2.001 0.000) 2.001 2.215 ( 0.000 3.937 0.000) 3.937 2.223 ( 0.000 9.083 0.000) 9.083 2.447 ( 0.000 -9.399 0.000) 9.399 2.709 ( 0.000 -15.367 0.000) 15.367 2.737 ( 0.000 10.471 0.000) 10.471 2.805 ( 0.000 5.307 0.000) 5.307 2.915 ( 0.000 -6.685 0.000) 6.685 2.969 ( 0.000 8.267 0.000) 8.267 3.076 ( 0.000 -0.020 0.000) 0.020 3.277 ( 0.000 11.210 0.000) 11.210 3.501 ( 0.000 -5.001 0.000) 5.001 3.652 ( 0.000 12.051 0.000) 12.051 3.659 ( 0.000 -7.348 0.000) 7.348 3.736 ( 0.000 8.490 0.000) 8.490 4.066 ( 0.000 4.511 0.000) 4.511 4.075 ( 0.000 1.527 0.000) 1.527 4.389 ( 0.000 14.805 0.000) 14.805 4.410 ( 0.000 13.478 0.000) 13.478 4.570 ( 0.000 6.190 0.000) 6.190 4.682 ( 0.000 -15.111 0.000) 15.111 4.913 ( 0.000 -9.353 0.000) 9.353 4.929 ( 0.000 -4.671 0.000) 4.671 4.984 ( 0.000 -7.088 0.000) 7.088 5.091 ( 0.000 -2.883 0.000) 2.883 5.093 ( 0.000 -7.086 0.000) 7.086 5.164 ( 0.000 3.160 0.000) 3.160 5.343 ( 0.000 2.414 0.000) 2.414 5.500 ( 0.000 -4.003 0.000) 4.003 5.645 ( 0.000 -12.445 0.000) 12.445 5.826 ( 0.000 -2.156 0.000) 2.156 5.841 ( 0.000 3.351 0.000) 3.351 5.972 ( 0.000 -16.361 0.000) 16.361 6.122 ( 0.000 8.138 0.000) 8.138 6.190 ( 0.000 -2.382 0.000) 2.382 6.236 ( 0.000 -3.168 0.000) 3.168 6.253 ( 0.000 1.683 0.000) 1.683 6.324 ( 0.000 -2.018 0.000) 2.018 6.333 ( 0.000 4.650 0.000) 4.650 6.397 ( 0.000 -10.771 0.000) 10.771 6.519 ( 0.000 -10.169 0.000) 10.169 6.607 ( 0.000 -2.053 0.000) 2.053 6.689 ( 0.000 -0.218 0.000) 0.218 6.714 ( 0.000 0.945 0.000) 0.945 6.835 ( 0.000 -5.112 0.000) 5.112 6.895 ( 0.000 -0.603 0.000) 0.603 6.902 ( 0.000 0.576 0.000) 0.576 6.923 ( 0.000 0.238 0.000) 0.238 6.984 ( 0.000 10.776 0.000) 10.776 6.984 ( 0.000 -1.940 0.000) 1.940 7.235 ( 0.000 -1.286 0.000) 1.286 7.271 ( 0.000 8.659 0.000) 8.659 7.297 ( 0.000 6.007 0.000) 6.007 7.435 ( 0.000 0.365 0.000) 0.365 7.792 ( 0.000 4.103 0.000) 4.103 7.802 ( 0.000 -1.439 0.000) 1.439 7.849 ( 0.000 -2.004 0.000) 2.004 8.160 ( 0.000 -1.243 0.000) 1.243 9.821 ( 0.000 0.686 0.000) 0.686 9.832 ( 0.000 0.847 0.000) 0.847 9.847 ( 0.000 -0.552 0.000) 0.552 9.970 ( 0.000 -2.221 0.000) 2.221 10.117 ( 0.000 5.654 0.000) 5.654 10.149 ( 0.000 -0.102 0.000) 0.102 10.170 ( 0.000 -0.992 0.000) 0.992 10.249 ( 0.000 -0.222 0.000) 0.222 10.290 ( 0.000 2.356 0.000) 2.356 10.372 ( 0.000 6.655 0.000) 6.655 10.888 ( 0.000 0.785 0.000) 0.785 10.901 ( 0.000 -3.528 0.000) 3.528 10.914 ( 0.000 0.461 0.000) 0.461 10.932 ( 0.000 -3.230 0.000) 3.230 10.999 ( 0.000 -0.481 0.000) 0.481 11.073 ( 0.000 -1.570 0.000) 1.570 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 11.813 14.665 0.000) 18.831 0.667 ( 17.205 17.322 0.000) 24.414 1.129 ( -13.205 7.213 0.000) 15.046 1.169 ( 23.507 30.303 0.000) 38.351 1.370 ( -16.847 3.554 0.000) 17.218 1.584 ( 2.608 7.258 0.000) 7.712 1.759 ( 5.316 -5.106 0.000) 7.371 1.796 ( -3.131 -2.368 0.000) 3.925 1.917 ( -2.024 6.614 0.000) 6.916 2.029 ( -11.751 8.492 0.000) 14.498 2.150 ( -1.738 7.135 0.000) 7.343 2.196 ( 0.885 2.853 0.000) 2.987 2.241 ( 8.487 -5.604 0.000) 10.171 2.453 ( -0.240 -10.302 0.000) 10.304 2.724 ( -1.138 -12.407 0.000) 12.459 2.746 ( -5.189 6.164 0.000) 8.058 2.749 ( 2.265 7.644 0.000) 7.972 2.893 ( -1.528 -2.903 0.000) 3.281 2.997 ( 2.463 6.365 0.000) 6.825 3.083 ( 0.568 1.526 0.000) 1.628 3.316 ( 5.339 7.501 0.000) 9.207 3.415 ( -5.419 -6.725 0.000) 8.637 3.599 ( -6.412 10.954 0.000) 12.693 3.731 ( 5.206 10.579 0.000) 11.791 3.744 ( 5.837 -5.037 0.000) 7.710 4.073 ( -9.304 7.340 0.000) 11.851 4.122 ( -12.169 8.297 0.000) 14.729 4.148 ( 2.897 4.554 0.000) 5.398 4.382 ( 0.064 13.565 0.000) 13.565 4.516 ( -4.845 5.196 0.000) 7.105 4.856 ( 10.339 -10.809 0.000) 14.958 4.918 ( 2.456 -11.409 0.000) 11.671 4.956 ( 1.769 -5.358 0.000) 5.643 5.019 ( 2.409 -4.258 0.000) 4.892 5.117 ( 1.483 -6.164 0.000) 6.340 5.121 ( 4.483 -4.950 0.000) 6.678 5.272 ( 9.166 0.151 0.000) 9.167 5.365 ( 3.873 2.714 0.000) 4.729 5.476 ( -3.505 -8.486 0.000) 9.182 5.630 ( -7.844 -10.076 0.000) 12.770 5.729 ( -7.409 -2.087 0.000) 7.697 5.741 ( -7.634 0.160 0.000) 7.635 6.017 ( -0.907 2.446 0.000) 2.609 6.052 ( 5.154 -11.447 0.000) 12.554 6.240 ( 2.590 4.251 0.000) 4.977 6.242 ( 1.796 -4.386 0.000) 4.740 6.313 ( -1.960 3.881 0.000) 4.348 6.337 ( 2.614 -3.307 0.000) 4.216 6.448 ( 3.440 -9.892 0.000) 10.473 6.483 ( 4.002 -7.327 0.000) 8.349 6.495 ( 5.814 -5.643 0.000) 8.102 6.628 ( 2.994 -1.458 0.000) 3.330 6.676 ( 0.078 1.140 0.000) 1.142 6.733 ( -2.547 1.012 0.000) 2.741 6.775 ( -4.604 4.296 0.000) 6.297 6.819 ( -1.687 -3.366 0.000) 3.765 6.893 ( -1.994 0.971 0.000) 2.218 6.896 ( -0.059 -0.599 0.000) 0.602 7.003 ( 1.158 -3.026 0.000) 3.239 7.058 ( 3.129 4.766 0.000) 5.702 7.175 ( -5.045 -0.131 0.000) 5.046 7.228 ( -5.440 8.226 0.000) 9.862 7.320 ( 4.019 6.475 0.000) 7.621 7.429 ( -1.102 0.941 0.000) 1.449 7.761 ( -1.650 0.294 0.000) 1.676 7.772 ( -1.484 3.971 0.000) 4.239 7.936 ( 6.393 -2.566 0.000) 6.889 8.132 ( -3.132 -1.847 0.000) 3.636 9.825 ( 0.456 0.531 0.000) 0.700 9.840 ( 0.461 0.404 0.000) 0.613 9.846 ( 0.307 0.425 0.000) 0.524 9.938 ( -3.588 -0.122 0.000) 3.590 10.104 ( -3.295 5.641 0.000) 6.532 10.108 ( -0.928 5.388 0.000) 5.467 10.164 ( 1.375 0.040 0.000) 1.376 10.234 ( -1.636 -0.109 0.000) 1.640 10.289 ( -0.054 2.935 0.000) 2.936 10.308 ( -2.192 7.767 0.000) 8.070 10.891 ( 0.214 1.402 0.000) 1.418 10.900 ( -0.392 1.120 0.000) 1.186 10.913 ( 1.418 -4.291 0.000) 4.519 10.957 ( 0.041 -4.539 0.000) 4.539 11.037 ( 2.198 -2.682 0.000) 3.468 11.069 ( -0.388 -1.633 0.000) 1.679 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -17.592 5.812 0.000) 18.527 0.813 ( 17.592 5.812 0.000) 18.527 1.029 ( -18.936 10.243 0.000) 21.529 1.029 ( 18.936 10.243 0.000) 21.529 1.582 ( -15.515 14.358 0.000) 21.140 1.582 ( 15.515 14.358 0.000) 21.140 1.734 ( -0.067 2.761 0.000) 2.762 1.734 ( 0.067 2.761 0.000) 2.762 1.880 ( -0.954 2.952 0.000) 3.102 1.880 ( 0.954 2.952 0.000) 3.102 2.172 ( -2.231 7.068 0.000) 7.412 2.172 ( 2.231 7.068 0.000) 7.412 2.400 ( -6.374 -13.836 0.000) 15.233 2.400 ( 6.374 -13.836 0.000) 15.233 2.684 ( -0.239 4.304 0.000) 4.311 2.684 ( 0.239 4.304 0.000) 4.311 2.833 ( -5.033 -1.700 0.000) 5.312 2.833 ( 5.033 -1.700 0.000) 5.312 3.055 ( -3.379 4.794 0.000) 5.865 3.055 ( 3.379 4.794 0.000) 5.865 3.372 ( -0.215 -3.593 0.000) 3.599 3.372 ( 0.215 -3.593 0.000) 3.599 3.692 ( -16.326 10.966 0.000) 19.667 3.692 ( 16.326 10.966 0.000) 19.667 3.815 ( -2.928 4.945 0.000) 5.747 3.815 ( 2.928 4.945 0.000) 5.747 4.123 ( -3.026 8.081 0.000) 8.629 4.123 ( 3.026 8.081 0.000) 8.629 4.429 ( -4.337 7.114 0.000) 8.332 4.429 ( 4.337 7.114 0.000) 8.332 4.959 ( -0.390 -5.596 0.000) 5.609 4.959 ( 0.390 -5.596 0.000) 5.609 5.005 ( -4.693 -10.094 0.000) 11.131 5.005 ( 4.693 -10.094 0.000) 11.131 5.180 ( -2.943 -7.102 0.000) 7.688 5.180 ( 2.943 -7.102 0.000) 7.688 5.383 ( -4.412 -8.047 0.000) 9.178 5.383 ( 4.412 -8.047 0.000) 9.178 5.490 ( -7.887 0.615 0.000) 7.911 5.490 ( 7.887 0.615 0.000) 7.911 5.621 ( -1.553 -0.468 0.000) 1.622 5.621 ( 1.553 -0.468 0.000) 1.622 6.082 ( -2.808 -4.806 0.000) 5.566 6.082 ( 2.808 -4.806 0.000) 5.566 6.257 ( -1.038 5.119 0.000) 5.223 6.257 ( 1.038 5.119 0.000) 5.223 6.329 ( -4.008 -6.101 0.000) 7.300 6.329 ( 4.008 -6.101 0.000) 7.300 6.467 ( -0.819 -7.787 0.000) 7.830 6.467 ( 0.819 -7.787 0.000) 7.830 6.620 ( -4.925 0.667 0.000) 4.970 6.620 ( 4.925 0.667 0.000) 4.970 6.694 ( -0.240 -0.804 0.000) 0.839 6.694 ( 0.240 -0.804 0.000) 0.839 6.790 ( -1.334 -0.769 0.000) 1.540 6.790 ( 1.334 -0.769 0.000) 1.540 6.883 ( -1.214 0.008 0.000) 1.214 6.883 ( 1.214 0.008 0.000) 1.214 7.039 ( -3.618 -1.932 0.000) 4.102 7.039 ( 3.618 -1.932 0.000) 4.102 7.148 ( -2.842 6.499 0.000) 7.094 7.148 ( 2.842 6.499 0.000) 7.094 7.390 ( -3.224 3.496 0.000) 4.756 7.390 ( 3.224 3.496 0.000) 4.756 7.752 ( -0.484 2.383 0.000) 2.431 7.752 ( 0.484 2.383 0.000) 2.431 8.050 ( -5.732 -2.382 0.000) 6.207 8.050 ( 5.732 -2.382 0.000) 6.207 9.835 ( -0.541 0.080 0.000) 0.547 9.835 ( 0.541 0.080 0.000) 0.547 9.876 ( -2.637 1.835 0.000) 3.213 9.876 ( 2.637 1.835 0.000) 3.213 10.091 ( -0.726 5.240 0.000) 5.290 10.091 ( 0.726 5.240 0.000) 5.290 10.197 ( -2.137 0.018 0.000) 2.138 10.197 ( 2.137 0.018 0.000) 2.138 10.291 ( -0.279 4.595 0.000) 4.604 10.291 ( 0.279 4.595 0.000) 4.604 10.895 ( -0.200 1.202 0.000) 1.218 10.895 ( 0.200 1.202 0.000) 1.218 10.943 ( -1.471 -4.347 0.000) 4.589 10.943 ( 1.471 -4.347 0.000) 4.589 11.059 ( -0.694 -2.033 0.000) 2.148 11.059 ( 0.694 -2.033 0.000) 2.148 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 20.435 0.000) 20.435 0.984 ( 0.000 24.142 0.000) 24.142 1.456 ( 0.000 5.053 0.000) 5.053 1.568 ( 0.000 3.164 0.000) 3.164 1.573 ( 0.000 5.003 0.000) 5.003 1.634 ( 0.000 4.281 0.000) 4.281 1.645 ( 0.000 -0.896 0.000) 0.896 1.723 ( 0.000 9.778 0.000) 9.778 1.941 ( 0.000 -13.520 0.000) 13.520 2.012 ( 0.000 -1.322 0.000) 1.322 2.255 ( 0.000 14.482 0.000) 14.482 2.275 ( 0.000 0.715 0.000) 0.715 2.356 ( 0.000 0.871 0.000) 0.871 2.383 ( 0.000 -10.921 0.000) 10.921 2.390 ( 0.000 -0.976 0.000) 0.976 2.741 ( 0.000 -9.884 0.000) 9.884 2.943 ( 0.000 9.458 0.000) 9.458 2.973 ( 0.000 10.085 0.000) 10.085 3.099 ( 0.000 1.733 0.000) 1.733 3.267 ( 0.000 16.948 0.000) 16.948 3.359 ( 0.000 -8.548 0.000) 8.548 3.571 ( 0.000 18.885 0.000) 18.885 3.620 ( 0.000 6.682 0.000) 6.682 3.911 ( 0.000 11.920 0.000) 11.920 3.968 ( 0.000 -14.093 0.000) 14.093 3.978 ( 0.000 14.450 0.000) 14.450 4.230 ( 0.000 10.762 0.000) 10.762 4.358 ( 0.000 -16.624 0.000) 16.624 4.647 ( 0.000 12.801 0.000) 12.801 4.660 ( 0.000 -14.403 0.000) 14.403 4.688 ( 0.000 3.072 0.000) 3.072 4.789 ( 0.000 -11.287 0.000) 11.287 4.802 ( 0.000 19.520 0.000) 19.520 4.835 ( 0.000 -2.176 0.000) 2.176 4.867 ( 0.000 -14.374 0.000) 14.374 5.023 ( 0.000 -2.810 0.000) 2.810 5.164 ( 0.000 -4.642 0.000) 4.642 5.336 ( 0.000 -5.723 0.000) 5.723 5.344 ( 0.000 -8.374 0.000) 8.374 5.409 ( 0.000 -9.901 0.000) 9.901 5.711 ( 0.000 -3.736 0.000) 3.736 5.855 ( 0.000 3.453 0.000) 3.453 5.927 ( 0.000 4.729 0.000) 4.729 6.127 ( 0.000 -12.214 0.000) 12.214 6.129 ( 0.000 -3.122 0.000) 3.122 6.132 ( 0.000 -6.142 0.000) 6.142 6.161 ( 0.000 -4.508 0.000) 4.508 6.252 ( 0.000 -8.833 0.000) 8.833 6.329 ( 0.000 8.395 0.000) 8.395 6.425 ( 0.000 2.880 0.000) 2.880 6.477 ( 0.000 7.506 0.000) 7.506 6.551 ( 0.000 -3.149 0.000) 3.149 6.655 ( 0.000 -2.683 0.000) 2.683 6.699 ( 0.000 -7.989 0.000) 7.989 6.720 ( 0.000 0.239 0.000) 0.239 6.855 ( 0.000 -3.395 0.000) 3.395 6.926 ( 0.000 0.131 0.000) 0.131 6.946 ( 0.000 -1.421 0.000) 1.421 6.990 ( 0.000 6.093 0.000) 6.093 7.149 ( 0.000 1.297 0.000) 1.297 7.247 ( 0.000 5.267 0.000) 5.267 7.382 ( 0.000 1.968 0.000) 1.968 7.391 ( 0.000 3.012 0.000) 3.012 7.439 ( 0.000 -0.021 0.000) 0.021 7.776 ( 0.000 -0.721 0.000) 0.721 7.807 ( 0.000 -1.804 0.000) 1.804 7.907 ( 0.000 6.498 0.000) 6.498 8.117 ( 0.000 -3.042 0.000) 3.042 9.843 ( 0.000 1.472 0.000) 1.472 9.843 ( 0.000 0.129 0.000) 0.129 9.847 ( 0.000 0.418 0.000) 0.418 9.924 ( 0.000 -2.229 0.000) 2.229 10.146 ( 0.000 -0.218 0.000) 0.218 10.150 ( 0.000 -0.763 0.000) 0.763 10.207 ( 0.000 2.367 0.000) 2.367 10.244 ( 0.000 -0.316 0.000) 0.316 10.403 ( 0.000 8.581 0.000) 8.581 10.533 ( 0.000 8.509 0.000) 8.509 10.776 ( 0.000 -7.600 0.000) 7.600 10.841 ( 0.000 -5.688 0.000) 5.688 10.929 ( 0.000 0.972 0.000) 0.972 10.930 ( 0.000 2.304 0.000) 2.304 10.981 ( 0.000 -1.247 0.000) 1.247 11.031 ( 0.000 -2.381 0.000) 2.381 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.407 19.070 0.000) 19.221 1.080 ( 9.299 21.415 0.000) 23.347 1.281 ( -13.837 7.393 0.000) 15.688 1.477 ( -7.746 7.772 0.000) 10.973 1.574 ( -1.450 -12.801 0.000) 12.883 1.609 ( -4.066 -5.651 0.000) 6.962 1.728 ( 8.548 15.474 0.000) 17.678 1.808 ( 5.917 8.071 0.000) 10.008 1.980 ( 3.974 -11.624 0.000) 12.285 2.036 ( 2.120 -3.877 0.000) 4.419 2.208 ( -3.517 12.981 0.000) 13.449 2.281 ( -0.443 1.090 0.000) 1.177 2.282 ( -5.725 3.669 0.000) 6.800 2.331 ( -4.904 -4.010 0.000) 6.335 2.465 ( 6.363 -7.159 0.000) 9.578 2.689 ( -4.757 -8.846 0.000) 10.044 2.972 ( 1.956 8.902 0.000) 9.114 2.996 ( 0.848 11.359 0.000) 11.391 3.151 ( 5.005 3.339 0.000) 6.017 3.264 ( -3.689 9.641 0.000) 10.323 3.318 ( 2.333 4.859 0.000) 5.390 3.525 ( -4.682 16.265 0.000) 16.926 3.696 ( 7.201 1.831 0.000) 7.430 3.888 ( -3.846 14.795 0.000) 15.286 3.932 ( -0.079 9.096 0.000) 9.097 4.081 ( 9.066 -9.049 0.000) 12.809 4.225 ( -11.939 -2.158 0.000) 12.132 4.311 ( 2.722 9.753 0.000) 10.125 4.537 ( -3.279 -9.377 0.000) 9.933 4.606 ( -3.965 3.470 0.000) 5.269 4.676 ( -1.411 -8.185 0.000) 8.306 4.811 ( 0.396 10.686 0.000) 10.694 4.842 ( 1.149 -0.815 0.000) 1.409 4.903 ( 7.410 -5.581 0.000) 9.277 4.945 ( 5.429 -11.054 0.000) 12.315 5.019 ( 0.030 -4.073 0.000) 4.073 5.186 ( 0.135 -8.690 0.000) 8.691 5.193 ( -8.078 -7.847 0.000) 11.262 5.420 ( 1.095 -8.356 0.000) 8.428 5.438 ( 3.710 -6.140 0.000) 7.173 5.679 ( -2.441 0.730 0.000) 2.548 5.835 ( -8.577 6.091 0.000) 10.520 5.907 ( 4.689 -1.245 0.000) 4.852 6.035 ( -2.974 -1.595 0.000) 3.375 6.116 ( 1.284 -7.430 0.000) 7.540 6.200 ( 2.683 -6.255 0.000) 6.806 6.218 ( 3.412 -8.648 0.000) 9.296 6.260 ( -1.962 -9.486 0.000) 9.687 6.377 ( 3.474 7.114 0.000) 7.917 6.463 ( -1.500 7.512 0.000) 7.661 6.508 ( 8.259 2.025 0.000) 8.504 6.587 ( 4.393 -2.171 0.000) 4.901 6.656 ( 0.085 -2.753 0.000) 2.754 6.707 ( 1.057 -6.879 0.000) 6.960 6.725 ( 0.040 -0.176 0.000) 0.180 6.832 ( -3.697 -1.106 0.000) 3.858 6.911 ( -1.169 0.627 0.000) 1.327 6.932 ( -3.726 4.642 0.000) 5.953 6.947 ( 0.133 -2.121 0.000) 2.125 7.097 ( -6.084 -2.132 0.000) 6.446 7.252 ( 1.410 7.117 0.000) 7.255 7.359 ( -3.137 4.360 0.000) 5.372 7.399 ( 1.419 0.954 0.000) 1.710 7.435 ( -0.494 -0.271 0.000) 0.563 7.780 ( 1.539 1.691 0.000) 2.286 7.880 ( -2.656 6.174 0.000) 6.721 7.881 ( 6.117 -2.674 0.000) 6.676 8.085 ( -3.513 -3.069 0.000) 4.664 9.842 ( 0.056 0.374 0.000) 0.378 9.844 ( 0.056 1.283 0.000) 1.284 9.859 ( 1.144 0.185 0.000) 1.159 9.913 ( -1.188 -1.685 0.000) 2.062 10.147 ( 0.312 0.496 0.000) 0.585 10.163 ( 1.403 -0.230 0.000) 1.422 10.192 ( -1.433 2.293 0.000) 2.704 10.230 ( -1.482 -0.273 0.000) 1.507 10.415 ( 1.316 8.958 0.000) 9.054 10.500 ( -2.925 9.656 0.000) 10.089 10.790 ( 1.407 -7.585 0.000) 7.715 10.840 ( -0.474 -6.643 0.000) 6.660 10.926 ( -0.081 1.416 0.000) 1.418 10.929 ( -0.065 2.172 0.000) 2.173 10.995 ( 1.190 -1.833 0.000) 2.185 11.027 ( -0.454 -2.359 0.000) 2.403 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -11.958 12.700 0.000) 17.444 1.014 ( 11.958 12.700 0.000) 17.444 1.299 ( -11.376 15.295 0.000) 19.062 1.299 ( 11.376 15.295 0.000) 19.062 1.558 ( -0.710 -11.737 0.000) 11.758 1.558 ( 0.710 -11.737 0.000) 11.758 1.849 ( -2.634 6.424 0.000) 6.943 1.849 ( 2.634 6.424 0.000) 6.943 2.046 ( -2.064 -5.578 0.000) 5.948 2.046 ( 2.064 -5.578 0.000) 5.948 2.193 ( -2.979 8.274 0.000) 8.794 2.193 ( 2.979 8.274 0.000) 8.794 2.269 ( -0.581 -0.322 0.000) 0.665 2.269 ( 0.581 -0.322 0.000) 0.665 2.586 ( -6.468 -7.949 0.000) 10.248 2.586 ( 6.468 -7.949 0.000) 10.248 2.993 ( -0.656 11.044 0.000) 11.064 2.993 ( 0.656 11.044 0.000) 11.064 3.215 ( -1.720 5.761 0.000) 6.013 3.215 ( 1.720 5.761 0.000) 6.013 3.415 ( -6.762 12.429 0.000) 14.149 3.415 ( 6.762 12.429 0.000) 14.149 3.835 ( -6.316 3.255 0.000) 7.106 3.835 ( 6.316 3.255 0.000) 7.106 3.978 ( -9.571 10.280 0.000) 14.045 3.978 ( 9.571 10.280 0.000) 14.045 4.257 ( -6.683 -0.497 0.000) 6.702 4.257 ( 6.683 -0.497 0.000) 6.702 4.547 ( -2.033 0.129 0.000) 2.038 4.547 ( 2.033 0.129 0.000) 2.038 4.734 ( -6.434 -8.728 0.000) 10.844 4.734 ( 6.434 -8.728 0.000) 10.844 4.927 ( -5.064 2.654 0.000) 5.717 4.927 ( 5.064 2.654 0.000) 5.717 5.014 ( -1.525 -8.310 0.000) 8.449 5.014 ( 1.525 -8.310 0.000) 8.449 5.138 ( -3.110 -9.954 0.000) 10.428 5.138 ( 3.110 -9.954 0.000) 10.428 5.457 ( -1.882 -8.040 0.000) 8.257 5.457 ( 1.882 -8.040 0.000) 8.257 5.693 ( -5.311 7.453 0.000) 9.152 5.693 ( 5.311 7.453 0.000) 9.152 5.985 ( -3.379 -4.175 0.000) 5.371 5.985 ( 3.379 -4.175 0.000) 5.371 6.179 ( -4.776 -6.933 0.000) 8.418 6.179 ( 4.776 -6.933 0.000) 8.418 6.247 ( -0.554 -7.763 0.000) 7.782 6.247 ( 0.554 -7.763 0.000) 7.782 6.428 ( -2.264 6.914 0.000) 7.275 6.428 ( 2.264 6.914 0.000) 7.275 6.642 ( -3.893 -1.429 0.000) 4.147 6.642 ( 3.893 -1.429 0.000) 4.147 6.670 ( -5.104 0.034 0.000) 5.104 6.670 ( 5.104 0.034 0.000) 5.104 6.754 ( -3.309 -1.683 0.000) 3.712 6.754 ( 3.309 -1.683 0.000) 3.712 6.904 ( -0.462 1.026 0.000) 1.126 6.904 ( 0.462 1.026 0.000) 1.126 6.977 ( -4.722 -3.150 0.000) 5.677 6.977 ( 4.722 -3.150 0.000) 5.677 7.297 ( -3.271 6.361 0.000) 7.152 7.297 ( 3.271 6.361 0.000) 7.152 7.422 ( -1.015 -0.179 0.000) 1.031 7.422 ( 1.015 -0.179 0.000) 1.031 7.825 ( -3.074 4.519 0.000) 5.466 7.825 ( 3.074 4.519 0.000) 5.466 7.996 ( -6.034 -3.004 0.000) 6.740 7.996 ( 6.034 -3.004 0.000) 6.740 9.844 ( -0.061 0.813 0.000) 0.815 9.844 ( 0.061 0.813 0.000) 0.815 9.886 ( -1.648 -0.508 0.000) 1.724 9.886 ( 1.648 -0.508 0.000) 1.724 10.164 ( -1.439 1.835 0.000) 2.332 10.164 ( 1.439 1.835 0.000) 2.332 10.196 ( -2.066 -0.201 0.000) 2.076 10.196 ( 2.066 -0.201 0.000) 2.076 10.449 ( -2.423 9.745 0.000) 10.042 10.449 ( 2.423 9.745 0.000) 10.042 10.819 ( -1.610 -7.373 0.000) 7.546 10.819 ( 1.610 -7.373 0.000) 7.546 10.927 ( -0.128 1.844 0.000) 1.849 10.927 ( 0.128 1.844 0.000) 1.849 11.015 ( -0.886 -2.267 0.000) 2.434 11.015 ( 0.886 -2.267 0.000) 2.434 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.000 -17.948 0.000) 17.948 1.272 ( 0.000 17.948 0.000) 17.948 1.417 ( 0.000 -14.345 0.000) 14.345 1.417 ( 0.000 14.345 0.000) 14.345 1.636 ( 0.000 -3.789 0.000) 3.789 1.636 ( 0.000 3.789 0.000) 3.789 1.680 ( 0.000 -6.580 0.000) 6.580 1.680 ( 0.000 6.580 0.000) 6.580 2.053 ( 0.000 -15.818 0.000) 15.818 2.053 ( 0.000 15.818 0.000) 15.818 2.188 ( 0.000 -10.210 0.000) 10.210 2.188 ( 0.000 10.210 0.000) 10.210 2.398 ( 0.000 -1.976 0.000) 1.976 2.398 ( 0.000 1.976 0.000) 1.976 2.522 ( 0.000 -11.513 0.000) 11.513 2.522 ( 0.000 11.513 0.000) 11.513 3.101 ( 0.000 -2.489 0.000) 2.489 3.101 ( 0.000 2.489 0.000) 2.489 3.161 ( 0.000 -10.677 0.000) 10.677 3.161 ( 0.000 10.677 0.000) 10.677 3.600 ( 0.000 -17.974 0.000) 17.974 3.600 ( 0.000 17.974 0.000) 17.974 3.957 ( 0.000 -21.648 0.000) 21.648 3.957 ( 0.000 21.648 0.000) 21.648 3.960 ( 0.000 -12.698 0.000) 12.698 3.960 ( 0.000 12.698 0.000) 12.698 4.290 ( 0.000 -13.797 0.000) 13.797 4.290 ( 0.000 13.797 0.000) 13.797 4.523 ( 0.000 -10.413 0.000) 10.413 4.523 ( 0.000 10.413 0.000) 10.413 4.690 ( 0.000 -1.018 0.000) 1.018 4.690 ( 0.000 1.018 0.000) 1.018 4.837 ( 0.000 -1.600 0.000) 1.600 4.837 ( 0.000 1.600 0.000) 1.600 4.996 ( 0.000 -7.551 0.000) 7.551 4.996 ( 0.000 7.551 0.000) 7.551 5.191 ( 0.000 -13.776 0.000) 13.776 5.191 ( 0.000 13.776 0.000) 13.776 5.240 ( 0.000 -0.543 0.000) 0.543 5.240 ( 0.000 0.543 0.000) 0.543 5.800 ( 0.000 -8.304 0.000) 8.304 5.800 ( 0.000 8.304 0.000) 8.304 6.023 ( 0.000 -4.413 0.000) 4.413 6.023 ( 0.000 4.413 0.000) 4.413 6.056 ( 0.000 -4.684 0.000) 4.684 6.056 ( 0.000 4.684 0.000) 4.684 6.111 ( 0.000 -3.021 0.000) 3.021 6.111 ( 0.000 3.021 0.000) 3.021 6.487 ( 0.000 -3.136 0.000) 3.136 6.487 ( 0.000 3.136 0.000) 3.136 6.519 ( 0.000 -9.217 0.000) 9.217 6.519 ( 0.000 9.217 0.000) 9.217 6.595 ( 0.000 -3.612 0.000) 3.612 6.595 ( 0.000 3.612 0.000) 3.612 6.764 ( 0.000 -4.371 0.000) 4.371 6.764 ( 0.000 4.371 0.000) 4.371 6.930 ( 0.000 -0.314 0.000) 0.314 6.930 ( 0.000 0.314 0.000) 0.314 7.102 ( 0.000 -4.280 0.000) 4.280 7.102 ( 0.000 4.280 0.000) 4.280 7.359 ( 0.000 -3.812 0.000) 3.812 7.359 ( 0.000 3.812 0.000) 3.812 7.430 ( 0.000 -1.012 0.000) 1.012 7.430 ( 0.000 1.012 0.000) 1.012 7.779 ( 0.000 -0.916 0.000) 0.916 7.779 ( 0.000 0.916 0.000) 0.916 8.032 ( 0.000 -5.298 0.000) 5.298 8.032 ( 0.000 5.298 0.000) 5.298 9.848 ( 0.000 -0.241 0.000) 0.241 9.848 ( 0.000 0.241 0.000) 0.241 9.880 ( 0.000 -2.071 0.000) 2.071 9.880 ( 0.000 2.071 0.000) 2.071 10.143 ( 0.000 -0.006 0.000) 0.006 10.143 ( 0.000 0.006 0.000) 0.006 10.234 ( 0.000 -0.737 0.000) 0.737 10.234 ( 0.000 0.737 0.000) 0.737 10.597 ( 0.000 -9.601 0.000) 9.601 10.597 ( 0.000 9.601 0.000) 9.601 10.702 ( 0.000 -7.733 0.000) 7.733 10.702 ( 0.000 7.733 0.000) 7.733 10.953 ( 0.000 -1.356 0.000) 1.356 10.953 ( 0.000 1.356 0.000) 1.356 10.980 ( 0.000 -2.533 0.000) 2.533 10.980 ( 0.000 2.533 0.000) 2.533 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.702 -17.362 0.000) 17.376 1.256 ( -0.702 17.362 0.000) 17.376 1.401 ( -4.293 -1.924 0.000) 4.704 1.401 ( -4.293 1.924 0.000) 4.704 1.591 ( -0.404 -13.832 0.000) 13.838 1.591 ( -0.404 13.832 0.000) 13.838 1.672 ( -0.897 -10.523 0.000) 10.561 1.672 ( -0.897 10.523 0.000) 10.561 2.097 ( 3.007 -12.638 0.000) 12.991 2.097 ( 3.007 12.638 0.000) 12.991 2.191 ( -0.711 -9.347 0.000) 9.374 2.191 ( -0.711 9.347 0.000) 9.374 2.388 ( 0.063 -4.135 0.000) 4.136 2.388 ( 0.063 4.135 0.000) 4.136 2.475 ( -4.005 -11.844 0.000) 12.503 2.475 ( -4.005 11.844 0.000) 12.503 3.152 ( 3.976 -3.599 0.000) 5.363 3.152 ( 3.976 3.599 0.000) 5.363 3.169 ( 1.034 -8.528 0.000) 8.590 3.169 ( 1.034 8.528 0.000) 8.590 3.662 ( 5.935 -15.293 0.000) 16.405 3.662 ( 5.935 15.293 0.000) 16.405 3.908 ( -5.402 -14.528 0.000) 15.500 3.908 ( -5.402 14.528 0.000) 15.500 4.006 ( 4.905 -12.858 0.000) 13.761 4.006 ( 4.905 12.858 0.000) 13.761 4.220 ( -6.118 -15.879 0.000) 17.017 4.220 ( -6.118 15.879 0.000) 17.017 4.500 ( 0.773 -9.451 0.000) 9.482 4.500 ( 0.773 9.451 0.000) 9.482 4.740 ( -9.074 -7.157 0.000) 11.557 4.740 ( -9.074 7.157 0.000) 11.557 4.819 ( 9.537 -1.976 0.000) 9.739 4.819 ( 9.537 1.976 0.000) 9.739 4.995 ( -0.433 -5.656 0.000) 5.673 4.995 ( -0.433 5.656 0.000) 5.673 5.196 ( 0.097 -14.499 0.000) 14.499 5.196 ( 0.097 14.499 0.000) 14.499 5.224 ( -1.544 -9.388 0.000) 9.514 5.224 ( -1.544 9.388 0.000) 9.514 5.809 ( 1.455 -8.759 0.000) 8.879 5.809 ( 1.455 8.759 0.000) 8.879 5.960 ( -5.279 -5.511 0.000) 7.632 5.960 ( -5.279 5.511 0.000) 7.632 6.085 ( 2.652 -4.691 0.000) 5.388 6.085 ( 2.652 4.691 0.000) 5.388 6.138 ( 1.202 -1.512 0.000) 1.932 6.138 ( 1.202 1.512 0.000) 1.932 6.527 ( 2.232 -4.846 0.000) 5.335 6.527 ( 2.232 4.846 0.000) 5.335 6.565 ( 6.485 -4.462 0.000) 7.872 6.565 ( 6.485 4.462 0.000) 7.872 6.587 ( -0.947 -4.221 0.000) 4.325 6.587 ( -0.947 4.221 0.000) 4.325 6.763 ( -0.553 -3.897 0.000) 3.936 6.763 ( -0.553 3.897 0.000) 3.936 6.922 ( -0.661 -0.603 0.000) 0.894 6.922 ( -0.661 0.603 0.000) 0.894 7.031 ( -6.691 -4.215 0.000) 7.908 7.031 ( -6.691 4.215 0.000) 7.908 7.368 ( 0.895 -3.746 0.000) 3.851 7.368 ( 0.895 3.746 0.000) 3.851 7.417 ( -1.297 -1.641 0.000) 2.091 7.417 ( -1.297 1.641 0.000) 2.091 7.827 ( 4.619 -2.618 0.000) 5.310 7.827 ( 4.619 2.618 0.000) 5.310 8.001 ( -3.321 -5.183 0.000) 6.156 8.001 ( -3.321 5.183 0.000) 6.156 9.854 ( 0.563 -0.599 0.000) 0.822 9.854 ( 0.563 0.599 0.000) 0.822 9.876 ( -0.396 -1.818 0.000) 1.860 9.876 ( -0.396 1.818 0.000) 1.860 10.155 ( 1.334 -0.407 0.000) 1.395 10.155 ( 1.334 0.407 0.000) 1.395 10.220 ( -1.467 -0.774 0.000) 1.659 10.220 ( -1.467 0.774 0.000) 1.659 10.612 ( 1.546 -9.575 0.000) 9.699 10.612 ( 1.546 9.575 0.000) 9.699 10.686 ( -1.696 -8.400 0.000) 8.569 10.686 ( -1.696 8.400 0.000) 8.569 10.958 ( 0.515 -1.718 0.000) 1.794 10.958 ( 0.515 1.718 0.000) 1.794 10.977 ( -0.321 -2.440 0.000) 2.461 10.977 ( -0.321 2.440 0.000) 2.461 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -5.019 -13.577 0.000) 14.475 1.291 ( 5.019 -13.577 0.000) 14.475 1.291 ( -5.019 13.577 0.000) 14.475 1.291 ( 5.019 13.577 0.000) 14.475 1.638 ( -3.102 -16.591 0.000) 16.878 1.638 ( 3.102 -16.591 0.000) 16.878 1.638 ( -3.102 16.591 0.000) 16.878 1.638 ( 3.102 16.591 0.000) 16.878 2.148 ( -3.141 -8.750 0.000) 9.296 2.148 ( 3.141 -8.750 0.000) 9.296 2.148 ( -3.141 8.750 0.000) 9.296 2.148 ( 3.141 8.750 0.000) 9.296 2.415 ( -2.473 -9.370 0.000) 9.691 2.415 ( 2.473 -9.370 0.000) 9.691 2.415 ( -2.473 9.370 0.000) 9.691 2.415 ( 2.473 9.370 0.000) 9.691 3.189 ( -0.272 -6.419 0.000) 6.425 3.189 ( 0.272 -6.419 0.000) 6.425 3.189 ( -0.272 6.419 0.000) 6.425 3.189 ( 0.272 6.419 0.000) 6.425 3.787 ( -7.334 -14.836 0.000) 16.549 3.787 ( 7.334 -14.836 0.000) 16.549 3.787 ( -7.334 14.836 0.000) 16.549 3.787 ( 7.334 14.836 0.000) 16.549 4.110 ( -6.027 -5.018 0.000) 7.843 4.110 ( 6.027 -5.018 0.000) 7.843 4.110 ( -6.027 5.018 0.000) 7.843 4.110 ( 6.027 5.018 0.000) 7.843 4.576 ( -7.464 -6.716 0.000) 10.041 4.576 ( 7.464 -6.716 0.000) 10.041 4.576 ( -7.464 6.716 0.000) 10.041 4.576 ( 7.464 6.716 0.000) 10.041 4.956 ( -4.741 -2.997 0.000) 5.609 4.956 ( 4.741 -2.997 0.000) 5.609 4.956 ( -4.741 2.997 0.000) 5.609 4.956 ( 4.741 2.997 0.000) 5.609 5.199 ( -0.768 -14.710 0.000) 14.730 5.199 ( 0.768 -14.710 0.000) 14.730 5.199 ( -0.768 14.710 0.000) 14.730 5.199 ( 0.768 14.710 0.000) 14.730 5.865 ( -4.585 -8.338 0.000) 9.516 5.865 ( 4.585 -8.338 0.000) 9.516 5.865 ( -4.585 8.338 0.000) 9.516 5.865 ( 4.585 8.338 0.000) 9.516 6.131 ( -1.877 -2.835 0.000) 3.399 6.131 ( 1.877 -2.835 0.000) 3.399 6.131 ( -1.877 2.835 0.000) 3.399 6.131 ( 1.877 2.835 0.000) 3.399 6.562 ( -1.725 -5.402 0.000) 5.671 6.562 ( 1.725 -5.402 0.000) 5.671 6.562 ( -1.725 5.402 0.000) 5.671 6.562 ( 1.725 5.402 0.000) 5.671 6.706 ( -6.736 -2.934 0.000) 7.348 6.706 ( -6.736 2.934 0.000) 7.348 6.706 ( 6.736 -2.934 0.000) 7.348 6.706 ( 6.736 2.934 0.000) 7.348 6.929 ( -2.717 -1.662 0.000) 3.185 6.929 ( 2.717 -1.662 0.000) 3.185 6.929 ( -2.717 1.662 0.000) 3.185 6.929 ( 2.717 1.662 0.000) 3.185 7.390 ( -1.482 -2.898 0.000) 3.255 7.390 ( 1.482 -2.898 0.000) 3.255 7.390 ( -1.482 2.898 0.000) 3.255 7.390 ( 1.482 2.898 0.000) 3.255 7.921 ( -5.203 -4.384 0.000) 6.804 7.921 ( 5.203 -4.384 0.000) 6.804 7.921 ( -5.203 4.384 0.000) 6.804 7.921 ( 5.203 4.384 0.000) 6.804 9.866 ( -0.697 -1.218 0.000) 1.403 9.866 ( 0.697 -1.218 0.000) 1.403 9.866 ( -0.697 1.218 0.000) 1.403 9.866 ( 0.697 1.218 0.000) 1.403 10.187 ( -1.982 -0.705 0.000) 2.104 10.187 ( -1.982 0.705 0.000) 2.104 10.187 ( 1.982 -0.705 0.000) 2.104 10.187 ( 1.982 0.705 0.000) 2.104 10.648 ( -2.251 -9.269 0.000) 9.538 10.648 ( 2.251 -9.269 0.000) 9.538 10.648 ( -2.251 9.269 0.000) 9.538 10.648 ( 2.251 9.269 0.000) 9.538 10.969 ( -0.556 -2.172 0.000) 2.242 10.969 ( 0.556 -2.172 0.000) 2.242 10.969 ( -0.556 2.172 0.000) 2.242 10.969 ( 0.556 2.172 0.000) 2.242 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 0.000 23.641) 23.641 0.500 ( 0.000 0.000 25.456) 25.456 1.026 ( 0.000 0.000 51.727) 51.727 1.098 ( 0.000 0.000 -0.738) 0.738 1.565 ( 0.000 0.000 -0.239) 0.239 1.629 ( 0.000 0.000 2.783) 2.783 1.694 ( 0.000 0.000 -1.819) 1.819 1.701 ( 0.000 0.000 2.067) 2.067 1.797 ( 0.000 0.000 -13.013) 13.013 1.918 ( 0.000 0.000 -4.430) 4.430 2.062 ( 0.000 0.000 -8.053) 8.053 2.097 ( 0.000 0.000 2.177) 2.177 2.426 ( 0.000 0.000 11.706) 11.706 2.518 ( 0.000 0.000 -3.872) 3.872 2.526 ( 0.000 0.000 -8.646) 8.646 2.653 ( 0.000 0.000 -8.398) 8.398 2.813 ( 0.000 0.000 3.005) 3.005 2.964 ( 0.000 0.000 -2.364) 2.364 2.989 ( 0.000 0.000 -3.048) 3.048 3.124 ( 0.000 0.000 2.364) 2.364 3.177 ( 0.000 0.000 6.525) 6.525 3.553 ( 0.000 0.000 4.167) 4.167 3.631 ( 0.000 0.000 7.462) 7.462 3.718 ( 0.000 0.000 6.878) 6.878 3.770 ( 0.000 0.000 -0.861) 0.861 4.039 ( 0.000 0.000 1.492) 1.492 4.054 ( 0.000 0.000 1.501) 1.501 4.137 ( 0.000 0.000 -13.716) 13.716 4.177 ( 0.000 0.000 2.923) 2.923 4.545 ( 0.000 0.000 4.736) 4.736 4.828 ( 0.000 0.000 -3.015) 3.015 4.888 ( 0.000 0.000 -11.034) 11.034 4.988 ( 0.000 0.000 0.299) 0.299 5.036 ( 0.000 0.000 -3.111) 3.111 5.079 ( 0.000 0.000 1.678) 1.678 5.087 ( 0.000 0.000 1.296) 1.296 5.329 ( 0.000 0.000 6.965) 6.965 5.439 ( 0.000 0.000 -4.474) 4.474 5.454 ( 0.000 0.000 2.936) 2.936 5.655 ( 0.000 0.000 -13.692) 13.692 5.742 ( 0.000 0.000 -0.232) 0.232 5.858 ( 0.000 0.000 -0.827) 0.827 6.052 ( 0.000 0.000 4.110) 4.110 6.139 ( 0.000 0.000 0.446) 0.446 6.192 ( 0.000 0.000 -8.178) 8.178 6.201 ( 0.000 0.000 -5.306) 5.306 6.270 ( 0.000 0.000 -6.576) 6.576 6.341 ( 0.000 0.000 4.034) 4.034 6.433 ( 0.000 0.000 5.725) 5.725 6.539 ( 0.000 0.000 1.972) 1.972 6.568 ( 0.000 0.000 -5.716) 5.716 6.595 ( 0.000 0.000 -2.566) 2.566 6.743 ( 0.000 0.000 5.763) 5.763 6.779 ( 0.000 0.000 5.089) 5.089 6.812 ( 0.000 0.000 -0.670) 0.670 6.817 ( 0.000 0.000 -0.377) 0.377 6.843 ( 0.000 0.000 -3.189) 3.189 6.868 ( 0.000 0.000 -3.654) 3.654 7.087 ( 0.000 0.000 1.121) 1.121 7.098 ( 0.000 0.000 0.857) 0.857 7.108 ( 0.000 0.000 0.466) 0.466 7.110 ( 0.000 0.000 -3.216) 3.216 7.346 ( 0.000 0.000 9.147) 9.147 7.379 ( 0.000 0.000 -2.489) 2.489 7.512 ( 0.000 0.000 -9.909) 9.909 7.563 ( 0.000 0.000 4.803) 4.803 8.033 ( 0.000 0.000 5.821) 5.821 8.655 ( 0.000 0.000 -4.070) 4.070 9.826 ( 0.000 0.000 0.465) 0.465 9.830 ( 0.000 0.000 1.671) 1.671 9.860 ( 0.000 0.000 1.007) 1.007 9.878 ( 0.000 0.000 2.203) 2.203 9.987 ( 0.000 0.000 -1.165) 1.165 10.043 ( 0.000 0.000 -0.395) 0.395 10.168 ( 0.000 0.000 -0.835) 0.835 10.170 ( 0.000 0.000 1.663) 1.663 10.271 ( 0.000 0.000 -1.782) 1.782 10.295 ( 0.000 0.000 1.072) 1.072 10.325 ( 0.000 0.000 -0.167) 0.167 10.812 ( 0.000 0.000 -8.361) 8.361 10.911 ( 0.000 0.000 0.662) 0.662 11.033 ( 0.000 0.000 1.443) 1.443 11.144 ( 0.000 0.000 4.853) 4.853 11.642 ( 0.000 0.000 -2.351) 2.351 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 13.296 0.000 16.658) 21.314 0.666 ( 15.901 0.000 17.986) 24.007 1.067 ( -5.746 0.000 2.392) 6.225 1.237 ( 18.426 0.000 39.559) 43.640 1.368 ( -16.620 0.000 3.512) 16.987 1.503 ( -0.543 0.000 -0.070) 0.548 1.661 ( -3.371 0.000 -2.396) 4.136 1.835 ( 9.193 0.000 -0.883) 9.235 1.899 ( -1.782 0.000 -4.346) 4.697 1.951 ( 3.772 0.000 -4.179) 5.629 2.042 ( -2.221 0.000 -7.495) 7.818 2.057 ( -6.020 0.000 7.103) 9.311 2.375 ( 2.824 0.000 1.126) 3.040 2.495 ( -0.720 0.000 -4.504) 4.561 2.602 ( 3.497 0.000 -3.332) 4.830 2.636 ( -4.134 0.000 -1.599) 4.433 2.843 ( 4.653 0.000 -1.489) 4.886 2.928 ( -4.519 0.000 -3.368) 5.636 2.978 ( -8.018 0.000 -7.368) 10.889 3.102 ( -6.952 0.000 3.443) 7.758 3.120 ( 9.348 0.000 -1.115) 9.414 3.525 ( -7.655 0.000 2.491) 8.050 3.633 ( 7.464 0.000 5.766) 9.432 3.647 ( -2.924 0.000 8.256) 8.759 3.886 ( 8.176 0.000 0.910) 8.227 3.937 ( -15.178 0.000 -4.932) 15.960 3.951 ( -8.450 0.000 4.087) 9.387 4.149 ( 3.022 0.000 4.704) 5.591 4.257 ( 6.262 0.000 2.342) 6.686 4.494 ( -5.210 0.000 4.258) 6.729 4.923 ( 9.476 0.000 -9.752) 13.598 4.968 ( 6.379 0.000 -7.466) 9.820 5.007 ( 3.548 0.000 -3.181) 4.765 5.056 ( -1.950 0.000 1.493) 2.456 5.080 ( 4.759 0.000 2.037) 5.176 5.162 ( 6.747 0.000 -5.292) 8.575 5.310 ( -5.641 0.000 0.839) 5.703 5.333 ( -3.313 0.000 -2.421) 4.103 5.573 ( -1.180 0.000 -2.733) 2.977 5.593 ( 3.811 0.000 -0.183) 3.815 5.770 ( -2.858 0.000 0.231) 2.867 5.815 ( -12.422 0.000 -0.331) 12.426 6.061 ( 3.888 0.000 0.798) 3.969 6.089 ( 7.175 0.000 -5.817) 9.237 6.256 ( 0.612 0.000 -3.075) 3.135 6.259 ( 2.379 0.000 -1.219) 2.673 6.306 ( -0.740 0.000 -2.581) 2.685 6.314 ( 2.600 0.000 -4.326) 5.047 6.489 ( -5.977 0.000 -2.776) 6.590 6.502 ( -4.982 0.000 -6.674) 8.328 6.559 ( 11.342 0.000 4.893) 12.352 6.647 ( 3.329 0.000 -0.395) 3.353 6.744 ( -0.974 0.000 4.047) 4.163 6.748 ( -1.520 0.000 4.986) 5.212 6.775 ( 0.539 0.000 4.270) 4.304 6.813 ( -0.502 0.000 1.176) 1.279 6.860 ( -0.025 0.000 -2.642) 2.642 6.890 ( 0.452 0.000 -5.495) 5.514 6.992 ( -3.060 0.000 -0.411) 3.088 7.100 ( 0.148 0.000 0.826) 0.840 7.106 ( -0.140 0.000 0.549) 0.567 7.116 ( -7.221 0.000 -3.642) 8.088 7.320 ( 4.130 0.000 8.512) 9.462 7.424 ( 0.169 0.000 0.874) 0.890 7.520 ( 1.296 0.000 -11.970) 12.040 7.583 ( 0.160 0.000 0.069) 0.174 8.097 ( 6.470 0.000 5.945) 8.786 8.459 ( -14.001 0.000 7.275) 15.778 9.830 ( 0.381 0.000 0.502) 0.631 9.838 ( 0.765 0.000 1.780) 1.937 9.853 ( -0.662 0.000 0.851) 1.079 9.872 ( -0.711 0.000 2.199) 2.311 9.998 ( 1.000 0.000 -0.978) 1.399 10.036 ( -0.718 0.000 -0.468) 0.857 10.162 ( 0.901 0.000 0.377) 0.976 10.205 ( -0.179 0.000 -1.380) 1.391 10.272 ( 0.206 0.000 2.269) 2.278 10.290 ( -0.488 0.000 1.366) 1.451 10.484 ( 12.436 0.000 -13.341) 18.238 10.765 ( -4.276 0.000 -9.431) 10.355 10.954 ( 3.519 0.000 0.471) 3.551 11.033 ( -0.308 0.000 1.300) 1.336 11.159 ( 2.127 0.000 5.708) 6.091 11.444 ( -14.360 0.000 8.643) 16.760 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -14.307 0.000 8.707) 16.748 0.871 ( 14.307 0.000 8.707) 16.748 1.000 ( -19.741 0.000 9.053) 21.718 1.000 ( 19.741 0.000 9.053) 21.718 1.571 ( -5.906 0.000 -1.927) 6.212 1.571 ( 5.906 0.000 -1.927) 6.212 1.667 ( -22.042 0.000 23.081) 31.915 1.667 ( 22.042 0.000 23.081) 31.915 1.975 ( -5.640 0.000 -5.221) 7.686 1.975 ( 5.640 0.000 -5.221) 7.686 1.979 ( -1.765 0.000 -2.227) 2.842 1.979 ( 1.765 0.000 -2.227) 2.842 2.534 ( -5.058 0.000 -1.419) 5.253 2.534 ( 5.058 0.000 -1.419) 5.253 2.541 ( -10.517 0.000 -5.152) 11.711 2.541 ( 10.517 0.000 -5.152) 11.711 2.873 ( -2.230 0.000 -6.125) 6.518 2.873 ( 2.230 0.000 -6.125) 6.518 2.964 ( -7.730 0.000 -0.728) 7.764 2.964 ( 7.730 0.000 -0.728) 7.764 3.356 ( -12.753 0.000 -5.308) 13.814 3.356 ( 12.753 0.000 -5.308) 13.814 3.676 ( -7.728 0.000 6.941) 10.387 3.676 ( 7.728 0.000 6.941) 10.387 3.788 ( -9.150 0.000 6.178) 11.040 3.788 ( 9.150 0.000 6.178) 11.040 4.076 ( -9.098 0.000 4.114) 9.985 4.076 ( 9.098 0.000 4.114) 9.985 4.379 ( -6.940 0.000 3.204) 7.644 4.379 ( 6.940 0.000 3.204) 7.644 5.018 ( -1.875 0.000 1.694) 2.527 5.018 ( 1.875 0.000 1.694) 2.527 5.127 ( -7.131 0.000 -10.194) 12.441 5.127 ( 7.131 0.000 -10.194) 12.441 5.177 ( -11.170 0.000 -11.934) 16.346 5.177 ( 11.170 0.000 -11.934) 16.346 5.215 ( -3.084 0.000 2.228) 3.805 5.215 ( 3.084 0.000 2.228) 3.805 5.635 ( -3.858 0.000 -0.619) 3.907 5.635 ( 3.858 0.000 -0.619) 3.907 5.657 ( -7.531 0.000 3.686) 8.385 5.657 ( 7.531 0.000 3.686) 8.385 6.173 ( -6.954 0.000 1.468) 7.107 6.173 ( 6.954 0.000 1.468) 7.107 6.226 ( -5.317 0.000 2.876) 6.045 6.226 ( 5.317 0.000 2.876) 6.045 6.366 ( -4.837 0.000 -6.599) 8.182 6.366 ( 4.837 0.000 -6.599) 8.182 6.399 ( -6.240 0.000 -7.467) 9.731 6.399 ( 6.240 0.000 -7.467) 9.731 6.704 ( -2.896 0.000 1.864) 3.444 6.704 ( 2.896 0.000 1.864) 3.444 6.726 ( -4.516 0.000 3.241) 5.559 6.726 ( 4.516 0.000 3.241) 5.559 6.797 ( -1.281 0.000 3.006) 3.267 6.797 ( 1.281 0.000 3.006) 3.267 6.872 ( -1.786 0.000 -4.498) 4.840 6.872 ( 1.786 0.000 -4.498) 4.840 6.991 ( -3.876 0.000 -1.972) 4.349 6.991 ( 3.876 0.000 -1.972) 4.349 7.103 ( -0.202 0.000 0.714) 0.742 7.103 ( 0.202 0.000 0.714) 0.742 7.395 ( -3.141 0.000 4.945) 5.859 7.395 ( 3.141 0.000 4.945) 5.859 7.556 ( -2.361 0.000 -7.520) 7.882 7.556 ( 2.361 0.000 -7.520) 7.882 8.246 ( -9.799 0.000 7.480) 12.328 8.246 ( 9.799 0.000 7.480) 12.328 9.840 ( -0.686 0.000 0.629) 0.930 9.840 ( 0.686 0.000 0.629) 0.930 9.855 ( -1.075 0.000 2.022) 2.290 9.855 ( 1.075 0.000 2.022) 2.290 10.018 ( -1.162 0.000 -0.677) 1.345 10.018 ( 1.162 0.000 -0.677) 1.345 10.186 ( -1.470 0.000 -0.495) 1.551 10.186 ( 1.470 0.000 -0.495) 1.551 10.280 ( -0.572 0.000 2.124) 2.200 10.280 ( 0.572 0.000 2.124) 2.200 10.663 ( -7.328 0.000 -12.956) 14.884 10.663 ( 7.328 0.000 -12.956) 14.884 11.011 ( -2.305 0.000 0.842) 2.454 11.011 ( 2.305 0.000 0.842) 2.454 11.243 ( -7.600 0.000 8.438) 11.356 11.243 ( 7.600 0.000 8.438) 11.356 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 13.055 17.615) 21.926 0.769 ( 0.000 17.689 18.339) 25.479 1.257 ( 0.000 22.186 31.718) 38.707 1.279 ( 0.000 14.868 2.248) 15.037 1.600 ( 0.000 -1.242 1.500) 1.948 1.627 ( 0.000 2.980 1.773) 3.468 1.676 ( 0.000 -2.449 4.956) 5.528 1.797 ( 0.000 1.058 -2.784) 2.978 1.871 ( 0.000 8.898 -5.864) 10.657 1.969 ( 0.000 -3.725 -9.559) 10.259 1.992 ( 0.000 11.950 -6.462) 13.585 2.244 ( 0.000 7.568 1.833) 7.787 2.299 ( 0.000 -9.669 3.165) 10.174 2.451 ( 0.000 -5.103 -1.410) 5.294 2.633 ( 0.000 7.256 -7.595) 10.504 2.655 ( 0.000 -4.094 -0.951) 4.203 2.846 ( 0.000 3.608 0.562) 3.652 2.904 ( 0.000 -4.402 -2.805) 5.220 2.967 ( 0.000 3.297 -1.362) 3.567 3.114 ( 0.000 -0.848 5.385) 5.451 3.271 ( 0.000 8.920 -1.843) 9.108 3.546 ( 0.000 -4.654 3.811) 6.016 3.667 ( 0.000 -4.429 2.677) 5.175 3.731 ( 0.000 10.567 6.622) 12.470 3.809 ( 0.000 7.949 6.806) 10.464 3.931 ( 0.000 -4.611 -7.372) 8.695 4.169 ( 0.000 4.528 3.912) 5.983 4.234 ( 0.000 7.982 -14.902) 16.905 4.380 ( 0.000 14.926 0.261) 14.928 4.620 ( 0.000 6.914 3.967) 7.972 4.631 ( 0.000 -14.494 -5.339) 15.445 4.793 ( 0.000 -7.379 -5.873) 9.431 4.927 ( 0.000 -3.250 -0.519) 3.291 5.060 ( 0.000 -2.105 3.693) 4.251 5.064 ( 0.000 -3.428 1.843) 3.892 5.133 ( 0.000 -1.750 2.524) 3.071 5.284 ( 0.000 -3.887 3.307) 5.103 5.388 ( 0.000 -4.863 -6.168) 7.855 5.449 ( 0.000 1.375 4.030) 4.259 5.600 ( 0.000 0.439 -6.244) 6.260 5.802 ( 0.000 4.365 -1.982) 4.794 5.837 ( 0.000 -7.118 4.224) 8.277 5.961 ( 0.000 -14.346 0.031) 14.346 6.052 ( 0.000 -1.347 -8.413) 8.520 6.158 ( 0.000 -1.629 -0.381) 1.673 6.182 ( 0.000 0.799 -5.417) 5.476 6.285 ( 0.000 0.738 -7.151) 7.189 6.330 ( 0.000 -1.585 2.331) 2.818 6.358 ( 0.000 -6.108 6.530) 8.941 6.412 ( 0.000 -2.339 3.365) 4.098 6.596 ( 0.000 -0.954 -1.105) 1.460 6.603 ( 0.000 -2.819 4.001) 4.894 6.718 ( 0.000 -2.455 1.057) 2.672 6.719 ( 0.000 -0.698 0.844) 1.095 6.820 ( 0.000 0.504 -4.520) 4.548 6.834 ( 0.000 -3.023 -1.677) 3.457 6.851 ( 0.000 1.165 -1.202) 1.674 6.938 ( 0.000 -5.290 1.015) 5.386 6.990 ( 0.000 9.707 0.475) 9.718 7.076 ( 0.000 -0.688 4.915) 4.963 7.215 ( 0.000 0.827 -1.390) 1.617 7.245 ( 0.000 6.277 -2.456) 6.741 7.379 ( 0.000 3.754 7.887) 8.735 7.403 ( 0.000 1.266 -2.968) 3.227 7.551 ( 0.000 4.861 -11.730) 12.698 7.643 ( 0.000 5.618 -3.359) 6.546 8.012 ( 0.000 -1.790 5.300) 5.594 8.380 ( 0.000 -14.019 7.317) 15.814 9.830 ( 0.000 0.515 1.006) 1.130 9.849 ( 0.000 1.170 1.608) 1.989 9.866 ( 0.000 -0.598 1.916) 2.007 9.974 ( 0.000 -1.765 0.371) 1.804 10.099 ( 0.000 4.902 -1.605) 5.158 10.143 ( 0.000 4.111 -2.462) 4.791 10.172 ( 0.000 0.516 0.121) 0.530 10.219 ( 0.000 7.660 -3.557) 8.445 10.293 ( 0.000 1.574 -0.465) 1.642 10.347 ( 0.000 5.482 -1.953) 5.820 10.364 ( 0.000 7.149 -10.991) 13.111 10.791 ( 0.000 -2.157 -8.309) 8.585 10.918 ( 0.000 0.711 0.788) 1.061 11.017 ( 0.000 -1.497 1.639) 2.220 11.122 ( 0.000 -2.038 4.421) 4.868 11.397 ( 0.000 -15.338 10.007) 18.314 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 8.342 10.925 16.862) 21.754 0.886 ( 11.080 13.916 15.517) 23.605 1.194 ( -10.146 9.763 6.402) 15.467 1.395 ( -9.156 4.755 3.277) 10.825 1.434 ( 9.361 16.698 19.796) 27.538 1.625 ( 2.802 7.109 6.599) 10.096 1.742 ( 0.271 -0.174 -1.424) 1.460 1.791 ( 1.723 0.783 -0.920) 2.104 1.884 ( -0.763 0.011 -1.816) 1.970 1.979 ( 0.224 1.190 -6.922) 7.027 2.048 ( 2.347 9.350 -8.182) 12.644 2.203 ( -5.381 6.905 3.210) 9.324 2.262 ( 1.523 -8.057 2.120) 8.469 2.461 ( -0.725 -7.528 -0.997) 7.629 2.608 ( 0.547 6.124 -6.652) 9.058 2.729 ( 4.748 -1.711 -0.819) 5.112 2.807 ( -5.178 2.130 1.855) 5.899 2.876 ( -2.184 -2.318 -4.319) 5.366 3.022 ( -4.597 3.069 3.586) 6.588 3.034 ( 2.310 3.299 -3.612) 5.410 3.266 ( 2.510 6.118 -4.308) 7.893 3.497 ( -4.210 -2.392 6.330) 7.970 3.578 ( -6.926 0.771 -0.534) 6.989 3.746 ( -2.080 7.417 -0.400) 7.714 3.846 ( 8.045 -0.412 8.201) 11.496 4.027 ( 4.204 -0.155 -3.862) 5.711 4.078 ( -10.222 10.512 -1.572) 14.747 4.196 ( -1.020 7.743 3.705) 8.644 4.396 ( 2.425 10.894 2.141) 11.364 4.552 ( -5.608 4.348 3.342) 7.844 4.767 ( 9.543 -12.976 -9.526) 18.713 4.820 ( 5.154 -8.386 -7.632) 12.455 4.952 ( 1.925 -3.520 -0.099) 4.013 5.037 ( -1.798 -2.779 2.026) 3.881 5.084 ( 3.199 -3.759 1.442) 5.142 5.164 ( 0.840 -4.140 3.338) 5.384 5.290 ( 0.247 -0.545 -4.935) 4.971 5.372 ( -4.101 -3.151 -8.693) 10.115 5.489 ( 3.761 -2.100 6.907) 8.140 5.585 ( 1.017 0.061 0.225) 1.043 5.753 ( -9.499 -5.497 2.274) 11.208 5.792 ( -3.716 2.945 3.329) 5.793 5.977 ( 3.140 -6.623 -2.374) 7.705 6.062 ( 3.894 -12.575 -3.494) 13.620 6.157 ( 2.468 5.919 -5.002) 8.133 6.264 ( -2.828 -2.741 -5.765) 6.982 6.273 ( -0.402 -1.732 1.907) 2.607 6.296 ( 5.838 -5.374 -5.422) 9.610 6.365 ( -1.966 0.173 1.587) 2.532 6.532 ( 5.252 -1.659 3.126) 6.333 6.544 ( 2.150 -2.686 -0.732) 3.517 6.662 ( 1.849 -3.374 2.741) 4.724 6.698 ( -1.148 -1.097 -0.011) 1.588 6.717 ( -1.323 -0.818 -0.744) 1.724 6.817 ( 0.130 0.776 0.712) 1.061 6.824 ( -0.526 1.040 -0.627) 1.324 6.841 ( -0.328 -2.522 -1.098) 2.770 6.904 ( -3.063 -0.645 1.618) 3.524 6.973 ( 0.206 2.585 -0.846) 2.727 7.110 ( -2.645 -1.351 1.741) 3.443 7.145 ( -1.751 3.769 -0.469) 4.182 7.235 ( -1.797 7.453 0.156) 7.668 7.370 ( 1.261 3.055 3.506) 4.819 7.429 ( 0.088 0.355 1.636) 1.676 7.565 ( 1.912 5.401 -11.774) 13.094 7.642 ( -0.779 4.907 -3.995) 6.375 8.060 ( 4.963 -3.134 5.170) 7.822 8.307 ( -6.772 -9.921 7.223) 14.017 9.836 ( 0.578 0.463 1.060) 1.293 9.855 ( 0.354 0.634 1.503) 1.669 9.865 ( 0.142 0.396 1.839) 1.886 9.941 ( -3.267 0.655 0.416) 3.358 10.079 ( -1.526 6.690 -1.889) 7.117 10.098 ( -1.387 5.771 -1.445) 6.109 10.169 ( 1.221 0.497 0.830) 1.558 10.245 ( -2.414 3.410 -1.751) 4.530 10.270 ( 1.746 1.030 1.242) 2.378 10.317 ( -0.875 3.175 0.440) 3.323 10.527 ( 9.806 3.810 -14.965) 18.293 10.756 ( -3.479 -1.138 -9.554) 10.231 10.951 ( 2.890 -0.204 0.956) 3.051 11.017 ( -0.167 -1.403 1.547) 2.095 11.131 ( 1.349 -2.542 5.143) 5.893 11.309 ( -7.542 -9.948 10.260) 16.159 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -15.812 7.028 11.627) 20.847 0.940 ( 15.812 7.028 11.627) 20.847 1.129 ( -14.886 9.611 8.624) 19.706 1.129 ( 14.886 9.611 8.624) 19.706 1.644 ( -8.151 8.251 1.925) 11.757 1.644 ( 8.151 8.251 1.925) 11.757 1.776 ( -7.853 -2.109 3.937) 9.034 1.776 ( 7.853 -2.109 3.937) 9.034 1.909 ( -5.540 7.434 3.870) 10.047 1.909 ( 5.540 7.434 3.870) 10.047 2.091 ( -4.943 4.351 -4.483) 7.966 2.091 ( 4.943 4.351 -4.483) 7.966 2.383 ( -7.571 -7.168 -0.574) 10.442 2.383 ( 7.571 -7.168 -0.574) 10.442 2.674 ( -6.902 5.066 -2.195) 8.838 2.674 ( 6.902 5.066 -2.195) 8.838 2.811 ( -4.346 -2.375 -3.400) 6.007 2.811 ( 4.346 -2.375 -3.400) 6.007 3.020 ( -3.457 5.008 -1.397) 6.244 3.020 ( 3.457 5.008 -1.397) 6.244 3.386 ( -7.589 0.698 -0.266) 7.626 3.386 ( 7.589 0.698 -0.266) 7.626 3.598 ( -9.346 2.975 -3.749) 10.500 3.598 ( 9.346 2.975 -3.749) 10.500 3.980 ( -4.822 3.447 10.643) 12.182 3.980 ( 4.822 3.447 10.643) 12.182 4.106 ( -6.626 8.819 -0.281) 11.034 4.106 ( 6.626 8.819 -0.281) 11.034 4.456 ( -4.496 6.356 2.551) 8.193 4.456 ( 4.496 6.356 2.551) 8.193 4.901 ( -3.078 -12.943 -10.231) 16.783 4.901 ( 3.078 -12.943 -10.231) 16.783 4.987 ( -3.200 -4.015 1.186) 5.270 4.987 ( 3.200 -4.015 1.186) 5.270 5.149 ( -2.258 -5.641 1.788) 6.334 5.149 ( 2.258 -5.641 1.788) 6.334 5.293 ( -2.835 1.162 -9.885) 10.349 5.293 ( 2.835 1.162 -9.885) 10.349 5.561 ( -3.915 -3.477 6.124) 8.058 5.561 ( 3.915 -3.477 6.124) 8.058 5.693 ( -4.842 1.809 4.919) 7.135 5.693 ( 4.842 1.809 4.919) 7.135 6.074 ( -3.989 -10.455 -4.099) 11.917 6.074 ( 3.989 -10.455 -4.099) 11.917 6.198 ( -3.160 -0.945 -5.031) 6.016 6.198 ( 3.160 -0.945 -5.031) 6.016 6.295 ( -2.309 2.728 2.474) 4.346 6.295 ( 2.309 2.728 2.474) 4.346 6.453 ( -7.293 -3.858 -3.984) 9.162 6.453 ( 7.293 -3.858 -3.984) 9.162 6.654 ( -1.409 -2.167 -0.551) 2.642 6.654 ( 1.409 -2.167 -0.551) 2.642 6.696 ( -1.753 -2.187 0.754) 2.903 6.696 ( 1.753 -2.187 0.754) 2.903 6.829 ( -0.444 -0.022 1.407) 1.476 6.829 ( 0.444 -0.022 1.407) 1.476 6.852 ( -2.573 0.259 0.362) 2.612 6.852 ( 2.573 0.259 0.362) 2.612 7.006 ( -4.233 -0.041 -1.093) 4.372 7.006 ( 4.233 -0.041 -1.093) 4.372 7.185 ( -3.058 6.399 2.683) 7.583 7.185 ( 3.058 6.399 2.683) 7.583 7.407 ( -2.076 0.618 1.259) 2.505 7.407 ( 2.076 0.618 1.259) 2.505 7.609 ( -2.489 5.343 -7.241) 9.337 7.609 ( 2.489 5.343 -7.241) 9.337 8.175 ( -7.234 -5.707 5.896) 10.939 8.175 ( 7.234 -5.707 5.896) 10.939 9.848 ( -0.724 0.118 1.294) 1.488 9.848 ( 0.724 0.118 1.294) 1.488 9.888 ( -2.197 1.947 1.314) 3.216 9.888 ( 2.197 1.947 1.314) 3.216 10.078 ( -0.867 5.205 -1.151) 5.401 10.078 ( 0.867 5.205 -1.151) 5.401 10.201 ( -2.209 1.122 0.124) 2.481 10.201 ( 2.209 1.122 0.124) 2.481 10.298 ( -1.236 2.558 0.843) 2.963 10.298 ( 1.236 2.558 0.843) 2.963 10.671 ( -6.075 0.489 -12.773) 14.152 10.671 ( 6.075 0.489 -12.773) 14.152 10.999 ( -2.002 -0.990 1.238) 2.554 10.999 ( 2.002 -0.990 1.238) 2.554 11.187 ( -5.140 -4.733 7.755) 10.438 11.187 ( 5.140 -4.733 7.755) 10.438 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 16.712 9.031) 18.996 1.108 ( 0.000 16.190 11.446) 19.827 1.523 ( 0.000 3.950 6.301) 7.437 1.526 ( 0.000 -1.807 -2.251) 2.887 1.593 ( 0.000 -0.397 2.068) 2.106 1.669 ( 0.000 -7.537 2.547) 7.956 1.732 ( 0.000 11.760 0.410) 11.767 1.863 ( 0.000 15.925 19.235) 24.972 1.875 ( 0.000 -4.424 -3.510) 5.647 2.102 ( 0.000 -3.485 5.597) 6.594 2.162 ( 0.000 13.376 -8.025) 15.598 2.247 ( 0.000 8.628 -8.366) 12.018 2.349 ( 0.000 -1.068 1.144) 1.565 2.372 ( 0.000 1.118 4.614) 4.748 2.440 ( 0.000 -13.738 4.854) 14.571 2.625 ( 0.000 -6.983 -8.268) 10.822 2.961 ( 0.000 7.687 -1.808) 7.897 2.980 ( 0.000 8.495 -1.460) 8.619 3.107 ( 0.000 1.536 -0.028) 1.537 3.234 ( 0.000 19.309 -2.690) 19.495 3.401 ( 0.000 -8.894 3.131) 9.429 3.416 ( 0.000 4.892 -9.184) 10.406 3.761 ( 0.000 15.010 8.275) 17.140 3.777 ( 0.000 -9.175 -10.853) 14.212 3.954 ( 0.000 3.526 -4.809) 5.963 4.034 ( 0.000 13.117 6.095) 14.464 4.197 ( 0.000 -0.699 -0.061) 0.702 4.358 ( 0.000 -10.055 -2.129) 10.278 4.388 ( 0.000 5.331 -16.771) 17.598 4.617 ( 0.000 4.868 -3.217) 5.835 4.623 ( 0.000 -9.081 -0.728) 9.111 4.804 ( 0.000 -11.805 -0.488) 11.816 4.810 ( 0.000 8.728 -0.024) 8.728 4.941 ( 0.000 -7.201 4.319) 8.396 4.989 ( 0.000 0.057 5.092) 5.092 5.044 ( 0.000 3.049 7.962) 8.525 5.196 ( 0.000 -4.660 -2.738) 5.404 5.309 ( 0.000 -5.318 2.823) 6.020 5.443 ( 0.000 -7.379 5.980) 9.499 5.521 ( 0.000 -10.759 3.957) 11.464 5.693 ( 0.000 -2.806 -0.735) 2.901 5.768 ( 0.000 2.139 -3.289) 3.924 5.942 ( 0.000 6.670 1.024) 6.748 5.947 ( 0.000 -1.935 -6.480) 6.762 6.121 ( 0.000 -2.331 1.647) 2.854 6.212 ( 0.000 -5.382 -0.445) 5.401 6.225 ( 0.000 -6.198 5.004) 7.966 6.299 ( 0.000 0.404 0.618) 0.738 6.357 ( 0.000 4.501 0.947) 4.600 6.437 ( 0.000 2.627 0.186) 2.634 6.499 ( 0.000 -1.180 4.565) 4.715 6.545 ( 0.000 -3.446 0.109) 3.447 6.663 ( 0.000 -5.618 -3.256) 6.494 6.702 ( 0.000 0.375 -1.978) 2.014 6.715 ( 0.000 -5.675 3.304) 6.567 6.833 ( 0.000 -2.668 -2.882) 3.927 6.883 ( 0.000 0.444 -2.475) 2.514 6.898 ( 0.000 2.119 -2.292) 3.122 7.058 ( 0.000 -0.084 4.813) 4.813 7.110 ( 0.000 0.721 -3.624) 3.695 7.241 ( 0.000 3.401 -0.465) 3.433 7.308 ( 0.000 1.014 -6.064) 6.148 7.423 ( 0.000 0.914 -0.915) 1.293 7.436 ( 0.000 1.166 4.356) 4.509 7.712 ( 0.000 8.330 -6.196) 10.381 7.739 ( 0.000 3.761 -2.399) 4.461 7.978 ( 0.000 -0.839 2.910) 3.028 8.168 ( 0.000 -7.942 2.640) 8.369 9.850 ( 0.000 1.420 1.002) 1.738 9.863 ( 0.000 0.236 1.985) 1.999 9.869 ( 0.000 0.581 1.917) 2.003 9.931 ( 0.000 -2.171 0.827) 2.323 10.157 ( 0.000 0.456 0.702) 0.838 10.160 ( 0.000 0.082 1.307) 1.309 10.203 ( 0.000 2.040 -0.595) 2.125 10.258 ( 0.000 -0.651 1.288) 1.443 10.385 ( 0.000 7.551 -1.978) 7.806 10.477 ( 0.000 6.470 -4.941) 8.141 10.544 ( 0.000 5.566 -15.578) 16.543 10.716 ( 0.000 -5.414 -7.460) 9.218 10.941 ( 0.000 1.530 1.326) 2.025 10.984 ( 0.000 -1.298 2.001) 2.385 11.071 ( 0.000 -2.575 3.595) 4.422 11.153 ( 0.000 -8.443 8.842) 12.226 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.661 15.544 10.302) 19.004 1.180 ( 7.394 14.694 8.872) 18.689 1.367 ( -12.218 6.832 8.313) 16.280 1.514 ( -7.048 5.793 3.647) 9.825 1.576 ( 0.603 -7.591 0.241) 7.618 1.657 ( -3.330 -6.644 2.854) 7.961 1.717 ( 2.389 2.111 -1.863) 3.692 1.879 ( -0.358 1.080 -0.024) 1.138 1.936 ( 4.403 6.234 4.813) 9.023 2.092 ( -0.315 1.240 2.750) 3.033 2.154 ( -1.184 12.472 -4.088) 13.178 2.245 ( 0.490 2.162 -1.648) 2.762 2.290 ( -2.258 2.279 1.035) 3.371 2.392 ( 0.775 1.318 4.484) 4.737 2.508 ( 4.055 -10.379 5.368) 12.369 2.603 ( -1.770 -7.192 -5.857) 9.442 2.945 ( 0.621 8.776 -2.930) 9.273 3.040 ( 1.333 11.959 -0.925) 12.069 3.102 ( 0.619 3.375 -2.107) 4.027 3.220 ( -3.830 12.079 -4.192) 13.347 3.320 ( 2.823 3.934 -1.228) 4.995 3.516 ( 2.089 1.955 -1.417) 3.193 3.680 ( -2.165 7.760 -4.489) 9.222 3.831 ( -2.876 1.083 -3.727) 4.831 3.951 ( -1.394 9.665 4.647) 10.814 4.006 ( 3.498 -1.431 -9.309) 10.047 4.228 ( 0.017 -0.403 4.877) 4.893 4.334 ( -1.484 5.823 -3.439) 6.923 4.462 ( 5.595 -9.610 -4.458) 11.981 4.550 ( -3.784 -2.510 -0.424) 4.561 4.638 ( 1.991 0.574 -3.758) 4.291 4.770 ( -1.235 -4.122 -4.703) 6.374 4.853 ( 0.862 1.705 1.004) 2.158 4.954 ( -1.067 -3.231 3.198) 4.670 5.010 ( 2.184 -1.872 4.456) 5.304 5.039 ( 0.948 -2.357 7.074) 7.517 5.163 ( -2.893 -5.559 -2.878) 6.896 5.273 ( -3.121 -7.021 0.236) 7.687 5.447 ( 0.602 -8.945 2.871) 9.413 5.515 ( -1.590 -9.910 6.341) 11.872 5.691 ( 1.993 3.846 2.148) 4.835 5.853 ( 3.629 -0.696 1.074) 3.848 5.900 ( -3.186 5.980 2.183) 7.119 5.933 ( 0.053 0.072 -6.331) 6.332 6.136 ( 3.232 -3.619 -1.550) 5.093 6.180 ( -0.495 -5.251 1.555) 5.499 6.230 ( -1.014 -5.274 0.232) 5.376 6.317 ( 0.292 -3.028 0.371) 3.064 6.374 ( 0.115 2.159 1.199) 2.472 6.452 ( -2.948 2.921 -0.554) 4.187 6.532 ( 8.183 1.391 1.558) 8.446 6.590 ( 3.484 -2.904 0.677) 4.586 6.655 ( -0.585 -4.370 -3.142) 5.414 6.707 ( -0.200 -0.033 -2.233) 2.242 6.732 ( 2.078 -5.481 3.973) 7.081 6.825 ( -1.183 -1.916 -0.837) 2.403 6.868 ( -1.024 2.231 -3.303) 4.115 6.905 ( 0.547 0.560 -1.229) 1.457 6.986 ( -5.186 -0.275 2.373) 5.710 7.063 ( -5.861 -2.671 -2.277) 6.831 7.256 ( 2.462 5.434 0.306) 5.973 7.329 ( 1.030 2.072 -2.710) 3.563 7.406 ( -1.171 0.954 -0.050) 1.511 7.432 ( -1.052 -0.173 1.754) 2.052 7.726 ( 1.508 7.678 -4.941) 9.254 7.758 ( 1.236 6.683 -4.084) 7.929 7.989 ( 1.770 -3.230 3.052) 4.783 8.132 ( -3.697 -7.363 2.412) 8.585 9.853 ( 0.270 1.252 1.110) 1.695 9.860 ( -0.133 0.511 1.741) 1.820 9.879 ( 0.949 0.272 1.921) 2.159 9.922 ( -0.966 -1.586 1.014) 2.116 10.154 ( -0.042 1.498 0.571) 1.604 10.171 ( 0.875 0.480 0.860) 1.318 10.191 ( -0.727 2.118 -0.248) 2.253 10.246 ( -1.453 -0.878 1.262) 2.115 10.391 ( 0.832 7.957 -2.490) 8.379 10.446 ( -2.015 7.814 -4.726) 9.352 10.596 ( 3.953 1.712 -13.274) 13.955 10.702 ( -1.505 -4.463 -8.583) 9.791 10.956 ( 1.493 0.916 1.846) 2.545 10.988 ( 0.277 -1.041 2.074) 2.337 11.069 ( 0.036 -3.054 3.820) 4.891 11.127 ( -2.470 -7.072 7.870) 10.865 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.939 10.977 10.664) 19.411 1.132 ( 11.939 10.977 10.664) 19.411 1.348 ( -10.138 11.871 5.184) 16.449 1.348 ( 10.138 11.871 5.184) 16.449 1.596 ( -2.206 -10.189 3.262) 10.923 1.596 ( 2.206 -10.189 3.262) 10.923 1.806 ( -6.017 -1.324 -4.806) 7.814 1.806 ( 6.017 -1.324 -4.806) 7.814 2.030 ( -5.862 3.638 -1.680) 7.101 2.030 ( 5.862 3.638 -1.680) 7.101 2.193 ( -4.090 6.597 2.157) 8.056 2.193 ( 4.090 6.597 2.157) 8.056 2.352 ( -4.968 2.690 5.665) 8.001 2.352 ( 4.968 2.690 5.665) 8.001 2.566 ( -2.629 -9.078 0.016) 9.451 2.566 ( 2.629 -9.078 0.016) 9.451 2.990 ( -4.049 13.201 -1.876) 13.935 2.990 ( 4.049 13.201 -1.876) 13.935 3.150 ( -3.508 6.276 -4.584) 8.527 3.150 ( 3.508 6.276 -4.584) 8.527 3.449 ( -8.041 7.312 0.872) 10.903 3.449 ( 8.041 7.312 0.872) 10.903 3.719 ( -6.296 4.881 -9.831) 12.654 3.719 ( 6.296 4.881 -9.831) 12.654 4.002 ( -4.988 3.014 1.423) 5.999 4.002 ( 4.988 3.014 1.423) 5.999 4.266 ( -4.436 0.234 1.777) 4.785 4.266 ( 4.436 0.234 1.777) 4.785 4.526 ( -1.673 -2.522 -1.791) 3.516 4.526 ( 1.673 -2.522 -1.791) 3.516 4.708 ( -5.368 -5.222 -3.909) 8.448 4.708 ( 5.368 -5.222 -3.909) 8.448 4.899 ( -4.150 0.804 1.126) 4.375 4.899 ( 4.150 0.804 1.126) 4.375 5.037 ( -1.190 -3.748 4.293) 5.822 5.037 ( 1.190 -3.748 4.293) 5.822 5.189 ( -5.154 -7.301 -2.209) 9.206 5.189 ( 5.154 -7.301 -2.209) 9.206 5.473 ( -2.251 -9.228 4.435) 10.483 5.473 ( 2.251 -9.228 4.435) 10.483 5.771 ( -6.108 6.757 6.698) 11.307 5.771 ( 6.108 6.757 6.698) 11.307 5.937 ( -1.169 -0.493 -4.870) 5.033 5.937 ( 1.169 -0.493 -4.870) 5.033 6.174 ( -1.226 -3.570 0.051) 3.775 6.174 ( 1.226 -3.570 0.051) 3.775 6.267 ( -4.831 -10.348 1.356) 11.500 6.267 ( 4.831 -10.348 1.356) 11.500 6.401 ( -2.505 6.341 -2.254) 7.181 6.401 ( 2.505 6.341 -2.254) 7.181 6.634 ( -1.208 -1.984 -3.645) 4.322 6.634 ( 1.208 -1.984 -3.645) 4.322 6.664 ( -4.041 0.253 0.452) 4.075 6.664 ( 4.041 0.253 0.452) 4.075 6.792 ( -2.876 -2.921 3.729) 5.542 6.792 ( 2.876 -2.921 3.729) 5.542 6.880 ( -3.155 1.490 -2.093) 4.068 6.880 ( 3.155 1.490 -2.093) 4.068 6.962 ( -3.706 -3.135 -0.450) 4.875 6.962 ( 3.706 -3.135 -0.450) 4.875 7.310 ( -2.887 4.879 1.140) 5.783 7.310 ( 2.887 4.879 1.140) 5.783 7.407 ( -1.236 -0.658 -0.896) 1.663 7.407 ( 1.236 -0.658 -0.896) 1.663 7.756 ( -1.371 8.180 -4.431) 9.404 7.756 ( 1.371 8.180 -4.431) 9.404 8.051 ( -4.634 -6.154 2.469) 8.090 8.051 ( 4.634 -6.154 2.469) 8.090 9.858 ( -0.192 0.864 1.412) 1.666 9.858 ( 0.192 0.864 1.412) 1.666 9.900 ( -1.306 -0.424 1.523) 2.050 9.900 ( 1.306 -0.424 1.523) 2.050 10.163 ( -0.946 2.521 0.000) 2.693 10.163 ( 0.946 2.521 0.000) 2.693 10.211 ( -2.074 -0.260 1.045) 2.337 10.211 ( 2.074 -0.260 1.045) 2.337 10.414 ( -1.559 7.955 -3.152) 8.698 10.414 ( 1.559 7.955 -3.152) 8.698 10.661 ( -2.986 -2.083 -10.915) 11.506 10.661 ( 2.986 -2.083 -10.915) 11.506 10.983 ( -1.059 -0.139 2.199) 2.445 10.983 ( 1.059 -0.139 2.199) 2.445 11.084 ( -1.796 -4.754 5.502) 7.490 11.084 ( 1.796 -4.754 5.502) 7.490 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 -10.824 2.076) 11.021 1.282 ( 0.000 10.824 2.076) 11.021 1.461 ( 0.000 -8.287 4.364) 9.366 1.461 ( 0.000 8.287 4.364) 9.366 1.583 ( 0.000 -1.504 1.693) 2.265 1.583 ( 0.000 1.504 1.692) 2.265 1.840 ( 0.000 -5.567 6.160) 8.303 1.840 ( 0.000 5.567 6.160) 8.303 2.083 ( 0.000 -16.315 3.777) 16.746 2.083 ( 0.000 16.315 3.777) 16.746 2.274 ( 0.000 -7.628 5.026) 9.135 2.274 ( 0.000 7.628 5.026) 9.135 2.360 ( 0.000 -2.869 -0.642) 2.940 2.360 ( 0.000 2.869 -0.642) 2.940 2.447 ( 0.000 -10.278 -5.000) 11.430 2.447 ( 0.000 10.278 -5.000) 11.430 3.076 ( 0.000 -0.273 -2.129) 2.147 3.076 ( 0.000 0.273 -2.129) 2.147 3.210 ( 0.000 -9.048 2.634) 9.424 3.210 ( 0.000 9.048 2.634) 9.424 3.517 ( 0.000 -12.361 -9.284) 15.459 3.517 ( 0.000 12.361 -9.284) 15.459 3.739 ( 0.000 -21.340 -11.634) 24.305 3.739 ( 0.000 21.340 -11.634) 24.305 4.109 ( 0.000 -12.720 5.807) 13.983 4.109 ( 0.000 12.720 5.807) 13.983 4.272 ( 0.000 -6.611 -4.204) 7.835 4.272 ( 0.000 6.611 -4.204) 7.835 4.439 ( 0.000 -3.730 -4.221) 5.633 4.439 ( 0.000 3.730 -4.221) 5.633 4.609 ( 0.000 -0.774 -1.554) 1.736 4.609 ( 0.000 0.774 -1.554) 1.736 4.897 ( 0.000 -1.901 1.992) 2.754 4.897 ( 0.000 1.901 1.992) 2.754 5.079 ( 0.000 -6.827 5.987) 9.080 5.079 ( 0.000 6.827 5.987) 9.080 5.246 ( 0.000 -2.015 1.354) 2.428 5.246 ( 0.000 2.015 1.354) 2.428 5.273 ( 0.000 -7.167 4.158) 8.286 5.273 ( 0.000 7.167 4.158) 8.286 5.759 ( 0.000 -3.747 0.571) 3.790 5.759 ( 0.000 3.747 0.571) 3.790 6.025 ( 0.000 -6.598 -1.245) 6.714 6.025 ( 0.000 6.598 -1.245) 6.714 6.084 ( 0.000 -6.675 1.911) 6.943 6.084 ( 0.000 6.675 1.911) 6.943 6.185 ( 0.000 -3.944 6.955) 7.995 6.185 ( 0.000 3.944 6.955) 7.995 6.479 ( 0.000 -3.053 -0.719) 3.136 6.479 ( 0.000 3.053 -0.719) 3.136 6.513 ( 0.000 -7.587 -0.309) 7.593 6.513 ( 0.000 7.587 -0.309) 7.593 6.604 ( 0.000 -6.426 -0.331) 6.435 6.604 ( 0.000 6.426 -0.331) 6.435 6.744 ( 0.000 -4.065 -2.361) 4.701 6.744 ( 0.000 4.065 -2.361) 4.701 6.907 ( 0.000 -0.896 -1.916) 2.115 6.907 ( 0.000 0.896 -1.916) 2.115 7.085 ( 0.000 -1.998 -1.133) 2.297 7.085 ( 0.000 1.998 -1.133) 2.297 7.301 ( 0.000 -1.670 -4.691) 4.979 7.301 ( 0.000 1.670 -4.691) 4.979 7.440 ( 0.000 -0.543 1.553) 1.645 7.440 ( 0.000 0.543 1.553) 1.645 7.793 ( 0.000 -0.730 0.054) 0.732 7.793 ( 0.000 0.730 0.054) 0.732 8.026 ( 0.000 -5.721 -0.833) 5.781 8.026 ( 0.000 5.721 -0.833) 5.781 9.870 ( 0.000 -0.218 2.158) 2.169 9.870 ( 0.000 0.218 2.158) 2.169 9.888 ( 0.000 -2.002 0.854) 2.177 9.888 ( 0.000 2.002 0.854) 2.177 10.159 ( 0.000 -0.033 1.549) 1.549 10.159 ( 0.000 0.033 1.549) 1.549 10.236 ( 0.000 -1.336 0.050) 1.337 10.236 ( 0.000 1.336 0.050) 1.337 10.549 ( 0.000 -6.166 -4.959) 7.913 10.549 ( 0.000 6.166 -4.959) 7.913 10.589 ( 0.000 -4.999 -8.877) 10.188 10.589 ( 0.000 4.999 -8.877) 10.188 10.970 ( 0.000 -0.699 1.868) 1.995 10.970 ( 0.000 0.699 1.868) 1.995 11.047 ( 0.000 -1.638 4.715) 4.991 11.047 ( 0.000 1.638 4.715) 4.991 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.667 -12.341 3.742) 13.003 1.292 ( 1.667 12.341 3.742) 13.003 1.473 ( -1.195 -2.339 5.639) 6.221 1.473 ( -1.195 2.339 5.639) 6.221 1.543 ( -1.598 -4.288 1.064) 4.698 1.543 ( -1.598 4.288 1.064) 4.698 1.745 ( -7.984 -8.562 2.559) 11.983 1.745 ( -7.984 8.562 2.559) 11.983 2.111 ( 2.602 -11.224 0.622) 11.538 2.111 ( 2.602 11.224 0.622) 11.538 2.271 ( -2.047 -5.757 5.325) 8.105 2.271 ( -2.047 5.757 5.325) 8.105 2.369 ( 1.391 -6.006 -2.359) 6.601 2.369 ( 1.391 6.006 -2.359) 6.601 2.451 ( 0.349 -4.881 2.011) 5.291 2.451 ( 0.349 4.881 2.011) 5.291 3.104 ( 3.400 -4.042 -3.132) 6.140 3.104 ( 3.400 4.042 -3.132) 6.140 3.223 ( 0.298 -5.165 2.493) 5.743 3.223 ( 0.298 5.165 2.493) 5.743 3.564 ( 4.785 -6.694 -10.378) 13.244 3.564 ( 4.785 6.694 -10.378) 13.244 3.738 ( -1.361 -13.807 -12.262) 18.516 3.738 ( -1.361 13.807 -12.262) 18.516 4.098 ( -0.100 -11.717 4.822) 12.671 4.098 ( -0.100 11.717 4.822) 12.671 4.209 ( -4.630 -10.914 -1.483) 11.948 4.209 ( -4.630 10.914 -1.483) 11.948 4.472 ( 2.790 -5.818 -1.530) 6.632 4.472 ( 2.790 5.818 -1.530) 6.632 4.615 ( -1.350 -2.662 -3.505) 4.604 4.615 ( -1.350 2.662 -3.505) 4.604 4.920 ( 2.991 -1.003 2.320) 3.916 4.920 ( 2.991 1.003 2.320) 3.916 5.064 ( -1.893 -3.794 5.527) 6.966 5.064 ( -1.893 3.794 5.527) 6.966 5.204 ( -2.046 -2.339 -0.691) 3.183 5.204 ( -2.046 2.339 -0.691) 3.183 5.265 ( -2.023 -8.876 5.001) 10.387 5.265 ( -2.023 8.876 5.001) 10.387 5.814 ( 5.552 -5.077 2.569) 7.950 5.814 ( 5.552 5.077 2.569) 7.950 6.017 ( -2.120 -2.718 1.607) 3.803 6.017 ( -2.120 2.718 1.607) 3.803 6.071 ( 0.067 -3.903 0.925) 4.011 6.071 ( 0.067 3.903 0.925) 4.011 6.163 ( -2.520 -3.090 2.527) 4.720 6.163 ( -2.520 3.090 2.527) 4.720 6.513 ( 1.928 -6.790 -1.058) 7.137 6.513 ( 1.928 6.790 -1.058) 7.137 6.547 ( 3.056 -3.440 -1.957) 5.000 6.547 ( 3.056 3.440 -1.957) 5.000 6.609 ( 2.326 -6.129 1.403) 6.704 6.609 ( 2.326 6.129 1.403) 6.704 6.750 ( 0.198 -3.834 -1.414) 4.091 6.750 ( 0.198 3.834 -1.414) 4.091 6.900 ( -0.536 -0.939 -1.856) 2.148 6.900 ( -0.536 0.939 -1.856) 2.148 7.012 ( -6.512 -2.285 -1.364) 7.035 7.012 ( -6.512 2.285 -1.364) 7.035 7.331 ( 2.525 -1.796 -2.881) 4.232 7.331 ( 2.525 1.796 -2.881) 4.232 7.423 ( -1.849 -0.662 1.028) 2.217 7.423 ( -1.849 0.662 1.028) 2.217 7.832 ( 3.933 -2.418 -0.424) 4.636 7.832 ( 3.933 2.418 -0.424) 4.636 7.995 ( -3.311 -5.390 -0.886) 6.388 7.995 ( -3.311 5.390 -0.886) 6.388 9.873 ( 0.366 -0.631 1.978) 2.108 9.873 ( 0.366 0.631 1.978) 2.108 9.886 ( -0.174 -1.766 1.060) 2.067 9.886 ( -0.174 1.766 1.060) 2.067 10.170 ( 1.115 -0.354 1.340) 1.779 10.170 ( 1.115 0.354 1.340) 1.779 10.224 ( -1.227 -1.233 0.292) 1.764 10.224 ( -1.227 1.233 0.292) 1.764 10.555 ( 0.705 -6.149 -5.504) 8.282 10.555 ( 0.705 6.149 -5.504) 8.282 10.585 ( -0.531 -5.371 -8.246) 9.856 10.585 ( -0.531 5.371 -8.246) 9.856 10.981 ( 1.118 -0.555 2.221) 2.547 10.981 ( 1.118 0.555 2.221) 2.547 11.035 ( -1.260 -1.202 4.244) 4.588 11.035 ( -1.260 1.202 4.244) 4.588 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -6.329 -11.493 6.842) 14.797 1.366 ( 5.718 -11.413 6.842) 14.483 1.366 ( -5.718 11.413 6.842) 14.483 1.366 ( 6.329 11.493 6.842) 14.797 1.610 ( -6.136 -12.776 -1.180) 14.222 1.610 ( 5.650 -12.720 -1.180) 13.968 1.610 ( -5.650 12.720 -1.180) 13.968 1.610 ( 6.136 12.776 -1.180) 14.222 2.185 ( -5.216 -7.250 0.585) 8.950 2.185 ( 4.337 -7.103 0.585) 8.343 2.185 ( -4.337 7.103 0.585) 8.343 2.185 ( 5.216 7.250 0.585) 8.950 2.425 ( -3.209 -4.782 3.353) 6.665 2.425 ( 3.199 -4.781 3.353) 6.658 2.425 ( -3.199 4.781 3.353) 6.658 2.425 ( 3.209 4.782 3.353) 6.665 3.185 ( -4.281 -4.213 -0.769) 6.055 3.185 ( 3.909 -4.121 -0.769) 5.732 3.185 ( -3.909 4.121 -0.769) 5.732 3.185 ( 4.281 4.213 -0.769) 6.055 3.667 ( -3.030 -10.404 -11.739) 15.976 3.667 ( 0.258 -10.294 -11.739) 15.615 3.667 ( -0.258 10.294 -11.739) 15.615 3.667 ( 3.030 10.404 -11.739) 15.976 4.134 ( -3.263 -8.825 2.227) 9.669 4.134 ( 2.906 -8.794 2.227) 9.526 4.134 ( -2.906 8.794 2.227) 9.526 4.134 ( 3.263 8.825 2.227) 9.669 4.544 ( -4.124 -6.107 -1.306) 7.483 4.544 ( 1.570 -5.802 -1.306) 6.151 4.544 ( -1.570 5.802 -1.306) 6.151 4.544 ( 4.124 6.107 -1.306) 7.483 4.999 ( -3.614 -2.816 1.852) 4.942 4.999 ( -2.009 -2.382 1.852) 3.625 4.999 ( 2.009 2.382 1.852) 3.625 4.999 ( 3.614 2.816 1.852) 4.942 5.214 ( -2.023 -12.502 2.687) 12.947 5.214 ( 1.720 -12.491 2.687) 12.892 5.214 ( -1.720 12.491 2.687) 12.892 5.214 ( 2.023 12.502 2.687) 12.947 5.931 ( -6.257 -5.647 5.608) 10.124 5.931 ( 4.279 -5.165 5.608) 8.743 5.931 ( -4.279 5.165 5.608) 8.743 5.931 ( 6.257 5.647 5.608) 10.124 6.107 ( -2.998 -1.432 -1.751) 3.755 6.107 ( -1.113 -0.338 -1.751) 2.102 6.107 ( 1.113 0.338 -1.751) 2.102 6.107 ( 2.998 1.432 -1.751) 3.755 6.545 ( -1.606 -6.238 -2.289) 6.836 6.545 ( 1.594 -6.237 -2.289) 6.832 6.545 ( -1.594 6.237 -2.289) 6.832 6.545 ( 1.606 6.238 -2.289) 6.836 6.712 ( -5.361 -3.881 0.851) 6.673 6.712 ( 4.667 -3.650 0.851) 5.986 6.712 ( -4.667 3.650 0.851) 5.986 6.712 ( 5.361 3.881 0.851) 6.673 6.912 ( -2.979 -1.784 -1.428) 3.755 6.912 ( 2.965 -1.778 -1.428) 3.741 6.912 ( -2.965 1.778 -1.428) 3.741 6.912 ( 2.979 1.784 -1.428) 3.755 7.379 ( -2.223 -2.014 -0.577) 3.055 7.379 ( -0.178 -1.682 -0.577) 1.787 7.379 ( 0.178 1.682 -0.577) 1.787 7.379 ( 2.223 2.014 -0.577) 3.055 7.917 ( -3.756 -7.017 -0.874) 8.007 7.917 ( 1.488 -6.802 -0.874) 7.018 7.917 ( -1.488 6.802 -0.874) 7.018 7.917 ( 3.756 7.017 -0.874) 8.007 9.881 ( -0.398 -1.248 1.531) 2.015 9.881 ( 0.392 -1.247 1.531) 2.014 9.881 ( -0.392 1.247 1.531) 2.014 9.881 ( 0.398 1.248 1.531) 2.015 10.196 ( -1.565 -1.042 0.831) 2.056 10.196 ( 0.098 -0.691 0.831) 1.085 10.196 ( -0.098 0.691 0.831) 1.085 10.196 ( 1.565 1.042 0.831) 2.056 10.571 ( -0.827 -6.566 -6.831) 9.511 10.571 ( 0.804 -6.565 -6.831) 9.508 10.571 ( -0.804 6.565 -6.831) 9.508 10.571 ( 0.827 6.566 -6.831) 9.511 11.007 ( -0.744 -2.446 3.174) 4.076 11.007 ( -0.263 -2.421 3.174) 4.001 11.007 ( 0.263 2.421 3.174) 4.001 11.007 ( 0.744 2.446 3.174) 4.076 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 0.000 20.453) 20.453 0.973 ( 0.000 0.000 23.637) 23.637 1.077 ( 0.000 0.000 -1.294) 1.294 1.500 ( 0.000 0.000 -5.521) 5.521 1.605 ( 0.000 0.000 -3.599) 3.599 1.626 ( 0.000 0.000 -2.182) 2.182 1.646 ( 0.000 0.000 -8.931) 8.931 1.657 ( 0.000 0.000 -3.610) 3.610 1.790 ( 0.000 0.000 0.992) 0.992 2.016 ( 0.000 0.000 37.551) 37.551 2.016 ( 0.000 0.000 5.386) 5.386 2.130 ( 0.000 0.000 -0.922) 0.922 2.390 ( 0.000 0.000 -9.181) 9.181 2.481 ( 0.000 0.000 6.262) 6.262 2.485 ( 0.000 0.000 -5.875) 5.875 2.538 ( 0.000 0.000 -0.913) 0.913 2.816 ( 0.000 0.000 -14.607) 14.607 2.917 ( 0.000 0.000 -4.682) 4.682 2.941 ( 0.000 0.000 7.152) 7.152 3.177 ( 0.000 0.000 4.538) 4.538 3.252 ( 0.000 0.000 3.612) 3.612 3.594 ( 0.000 0.000 -1.774) 1.774 3.771 ( 0.000 0.000 -7.485) 7.485 3.801 ( 0.000 0.000 8.826) 8.826 3.840 ( 0.000 0.000 6.309) 6.309 3.980 ( 0.000 0.000 9.647) 9.647 4.075 ( 0.000 0.000 1.293) 1.293 4.094 ( 0.000 0.000 2.331) 2.331 4.271 ( 0.000 0.000 6.135) 6.135 4.667 ( 0.000 0.000 7.594) 7.594 4.679 ( 0.000 0.000 -10.357) 10.357 4.807 ( 0.000 0.000 -8.789) 8.789 4.854 ( 0.000 0.000 -3.404) 3.404 4.981 ( 0.000 0.000 -2.848) 2.848 5.113 ( 0.000 0.000 1.606) 1.606 5.150 ( 0.000 0.000 0.787) 0.787 5.291 ( 0.000 0.000 -8.029) 8.029 5.399 ( 0.000 0.000 -3.276) 3.276 5.421 ( 0.000 0.000 -0.454) 0.454 5.555 ( 0.000 0.000 3.044) 3.044 5.729 ( 0.000 0.000 -1.312) 1.312 5.745 ( 0.000 0.000 -11.409) 11.409 5.960 ( 0.000 0.000 -16.277) 16.277 6.038 ( 0.000 0.000 -6.960) 6.960 6.108 ( 0.000 0.000 1.061) 1.061 6.202 ( 0.000 0.000 0.199) 0.199 6.263 ( 0.000 0.000 8.412) 8.412 6.379 ( 0.000 0.000 -0.742) 0.742 6.483 ( 0.000 0.000 -1.419) 1.419 6.488 ( 0.000 0.000 -0.097) 0.097 6.531 ( 0.000 0.000 -3.475) 3.475 6.589 ( 0.000 0.000 2.672) 2.672 6.689 ( 0.000 0.000 -11.754) 11.754 6.778 ( 0.000 0.000 -2.760) 2.760 6.844 ( 0.000 0.000 1.211) 1.211 6.848 ( 0.000 0.000 1.585) 1.585 6.864 ( 0.000 0.000 5.038) 5.038 6.877 ( 0.000 0.000 4.683) 4.683 7.092 ( 0.000 0.000 2.517) 2.517 7.112 ( 0.000 0.000 1.529) 1.529 7.122 ( 0.000 0.000 1.533) 1.533 7.123 ( 0.000 0.000 1.102) 1.102 7.248 ( 0.000 0.000 -5.474) 5.474 7.338 ( 0.000 0.000 -1.881) 1.881 7.617 ( 0.000 0.000 0.164) 0.164 7.702 ( 0.000 0.000 16.525) 16.525 8.040 ( 0.000 0.000 -4.829) 4.829 8.554 ( 0.000 0.000 -6.065) 6.065 9.840 ( 0.000 0.000 0.944) 0.944 9.876 ( 0.000 0.000 2.927) 2.927 9.886 ( 0.000 0.000 1.726) 1.726 9.940 ( 0.000 0.000 4.039) 4.039 9.959 ( 0.000 0.000 -1.706) 1.706 10.029 ( 0.000 0.000 -1.080) 1.080 10.158 ( 0.000 0.000 -0.366) 0.366 10.196 ( 0.000 0.000 0.826) 0.826 10.233 ( 0.000 0.000 -1.429) 1.429 10.299 ( 0.000 0.000 -0.879) 0.879 10.327 ( 0.000 0.000 0.171) 0.171 10.628 ( 0.000 0.000 -10.277) 10.277 10.943 ( 0.000 0.000 2.508) 2.508 11.046 ( 0.000 0.000 0.073) 0.073 11.249 ( 0.000 0.000 5.618) 5.618 11.582 ( 0.000 0.000 -3.644) 3.644 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 4.317 0.000 14.687) 15.308 1.057 ( 8.424 0.000 21.495) 23.086 1.105 ( 0.449 0.000 1.696) 1.755 1.443 ( -10.590 0.000 6.643) 12.501 1.475 ( 0.054 0.000 -2.770) 2.770 1.615 ( -2.821 0.000 -3.663) 4.624 1.725 ( 5.328 0.000 -9.207) 10.638 1.729 ( 4.508 0.000 -8.621) 9.729 1.809 ( 0.827 0.000 -4.289) 4.368 1.957 ( -6.005 0.000 0.425) 6.020 2.089 ( 7.630 0.000 34.911) 35.736 2.194 ( 7.388 0.000 1.485) 7.536 2.404 ( -4.872 0.000 7.171) 8.670 2.409 ( 3.763 0.000 -4.683) 6.007 2.558 ( 3.397 0.000 -4.906) 5.967 2.589 ( 1.796 0.000 -1.718) 2.486 2.778 ( -4.160 0.000 -12.139) 12.832 2.824 ( -10.381 0.000 -7.690) 12.919 2.907 ( -1.185 0.000 6.047) 6.162 3.147 ( -9.102 0.000 3.748) 9.843 3.168 ( 2.106 0.000 7.007) 7.316 3.538 ( -14.243 0.000 -2.039) 14.389 3.705 ( 9.515 0.000 -0.393) 9.523 3.778 ( -3.350 0.000 6.760) 7.544 3.828 ( -4.511 0.000 -1.263) 4.684 4.016 ( 10.030 0.000 8.872) 13.391 4.030 ( -6.454 0.000 2.795) 7.033 4.290 ( 7.752 0.000 8.504) 11.507 4.332 ( 6.121 0.000 5.209) 8.037 4.604 ( -6.214 0.000 6.719) 9.152 4.755 ( 7.427 0.000 -10.413) 12.790 4.793 ( 0.826 0.000 -3.321) 3.422 4.887 ( 3.475 0.000 -14.417) 14.830 4.989 ( -0.105 0.000 -4.752) 4.753 5.096 ( -1.536 0.000 2.032) 2.547 5.175 ( 4.449 0.000 -1.324) 4.642 5.195 ( -7.946 0.000 -4.391) 9.078 5.344 ( -1.762 0.000 3.167) 3.624 5.509 ( 1.194 0.000 -8.180) 8.267 5.600 ( 4.625 0.000 2.626) 5.319 5.765 ( 0.260 0.000 -0.768) 0.811 5.772 ( -15.264 0.000 -7.592) 17.048 5.880 ( 14.565 0.000 -10.171) 17.765 6.009 ( 2.088 0.000 -5.652) 6.026 6.190 ( 4.331 0.000 -3.881) 5.815 6.239 ( 3.335 0.000 0.142) 3.338 6.309 ( 1.612 0.000 1.804) 2.420 6.314 ( -4.969 0.000 0.165) 4.972 6.427 ( -4.076 0.000 -0.230) 4.083 6.451 ( -7.093 0.000 -0.192) 7.096 6.578 ( 1.669 0.000 -2.041) 2.637 6.602 ( 4.786 0.000 -2.891) 5.591 6.676 ( -1.668 0.000 -12.583) 12.693 6.749 ( -2.889 0.000 -2.246) 3.659 6.848 ( 1.534 0.000 2.370) 2.823 6.870 ( 0.601 0.000 4.534) 4.574 6.879 ( 2.371 0.000 2.669) 3.571 6.882 ( 0.266 0.000 4.314) 4.322 7.022 ( -3.856 0.000 3.104) 4.950 7.086 ( -3.693 0.000 0.889) 3.799 7.123 ( 0.069 0.000 1.487) 1.489 7.123 ( 0.051 0.000 1.207) 1.208 7.326 ( 4.133 0.000 -2.615) 4.890 7.374 ( 4.332 0.000 -1.709) 4.657 7.548 ( -2.944 0.000 3.977) 4.948 7.705 ( -2.772 0.000 11.598) 11.925 8.113 ( 7.644 0.000 -3.800) 8.537 8.466 ( -8.660 0.000 -3.804) 9.458 9.844 ( 0.459 0.000 0.966) 1.069 9.875 ( -1.029 0.000 1.347) 1.695 9.886 ( 1.092 0.000 3.141) 3.325 9.933 ( -0.838 0.000 4.025) 4.112 9.974 ( 1.382 0.000 -1.353) 1.934 10.021 ( -0.820 0.000 -1.082) 1.358 10.173 ( 0.873 0.000 0.471) 0.992 10.196 ( -0.298 0.000 0.322) 0.438 10.289 ( 4.635 0.000 -2.332) 5.189 10.303 ( 0.749 0.000 -0.260) 0.793 10.330 ( 1.539 0.000 -2.726) 3.131 10.574 ( -5.393 0.000 -9.923) 11.294 10.978 ( 3.117 0.000 1.886) 3.643 11.049 ( -0.016 0.000 0.440) 0.441 11.265 ( 2.274 0.000 5.059) 5.546 11.498 ( -8.007 0.000 -0.561) 8.026 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -6.412 0.000 6.892) 9.413 1.040 ( 6.412 0.000 6.892) 9.413 1.242 ( -11.213 0.000 15.425) 19.070 1.242 ( 11.213 0.000 15.425) 19.070 1.538 ( -5.260 0.000 -1.576) 5.491 1.538 ( 5.260 0.000 -1.576) 5.491 1.792 ( -2.511 0.000 -8.504) 8.867 1.792 ( 2.511 0.000 -8.504) 8.867 1.834 ( -6.713 0.000 -6.956) 9.667 1.834 ( 6.713 0.000 -6.956) 9.667 2.242 ( -7.236 0.000 21.799) 22.969 2.242 ( 7.236 0.000 21.799) 22.969 2.459 ( -14.182 0.000 -0.323) 14.186 2.459 ( 14.182 0.000 -0.323) 14.186 2.523 ( -7.332 0.000 -1.396) 7.464 2.523 ( 7.332 0.000 -1.396) 7.464 2.712 ( -2.878 0.000 -10.210) 10.608 2.712 ( 2.878 0.000 -10.210) 10.608 2.980 ( -8.228 0.000 4.267) 9.268 2.980 ( 8.228 0.000 4.267) 9.268 3.302 ( -11.490 0.000 0.580) 11.505 3.302 ( 11.490 0.000 0.580) 11.505 3.760 ( -1.765 0.000 2.723) 3.245 3.760 ( 1.765 0.000 2.723) 3.245 3.882 ( -9.419 0.000 1.563) 9.548 3.882 ( 9.419 0.000 1.563) 9.548 4.225 ( -10.872 0.000 10.153) 14.875 4.225 ( 10.872 0.000 10.153) 14.875 4.467 ( -8.161 0.000 5.763) 9.991 4.467 ( 8.161 0.000 5.763) 9.991 4.887 ( -4.864 0.000 -11.333) 12.333 4.887 ( 4.864 0.000 -11.333) 12.333 4.912 ( -8.476 0.000 -11.470) 14.262 4.912 ( 8.476 0.000 -11.470) 14.262 5.095 ( -2.396 0.000 3.277) 4.059 5.095 ( 2.396 0.000 3.277) 4.059 5.292 ( -6.030 0.000 0.251) 6.035 5.292 ( 6.030 0.000 0.251) 6.035 5.538 ( -6.636 0.000 -6.530) 9.310 5.538 ( 6.636 0.000 -6.530) 9.310 5.700 ( -5.715 0.000 0.923) 5.789 5.700 ( 5.715 0.000 0.923) 5.789 6.126 ( -8.299 0.000 -6.627) 10.620 6.126 ( 8.299 0.000 -6.627) 10.620 6.176 ( -14.427 0.000 -8.691) 16.843 6.176 ( 14.427 0.000 -8.691) 16.843 6.328 ( -3.049 0.000 4.699) 5.601 6.328 ( 3.049 0.000 4.699) 5.601 6.340 ( -5.219 0.000 1.385) 5.399 6.340 ( 5.219 0.000 1.385) 5.399 6.631 ( -3.127 0.000 -10.155) 10.625 6.631 ( 3.127 0.000 -10.155) 10.625 6.683 ( -4.164 0.000 -2.312) 4.763 6.683 ( 4.164 0.000 -2.312) 4.763 6.881 ( -0.413 0.000 4.156) 4.177 6.881 ( 0.413 0.000 4.156) 4.177 6.891 ( -2.052 0.000 3.020) 3.652 6.891 ( 2.052 0.000 3.020) 3.652 7.009 ( -3.203 0.000 3.121) 4.472 7.009 ( 3.203 0.000 3.121) 4.472 7.124 ( -0.015 0.000 1.376) 1.376 7.124 ( 0.015 0.000 1.376) 1.376 7.387 ( -2.760 0.000 -2.315) 3.602 7.387 ( 2.760 0.000 -2.315) 3.602 7.604 ( -7.032 0.000 7.730) 10.450 7.604 ( 7.032 0.000 7.730) 10.450 8.285 ( -10.450 0.000 -2.372) 10.716 8.285 ( 10.450 0.000 -2.372) 10.716 9.856 ( -0.890 0.000 1.061) 1.385 9.856 ( 0.890 0.000 1.061) 1.385 9.911 ( -1.486 0.000 3.655) 3.945 9.911 ( 1.486 0.000 3.655) 3.945 10.000 ( -1.395 0.000 -1.126) 1.793 10.000 ( 1.395 0.000 -1.126) 1.793 10.186 ( -0.672 0.000 0.522) 0.851 10.186 ( 0.672 0.000 0.522) 0.851 10.309 ( -0.452 0.000 0.466) 0.649 10.309 ( 0.452 0.000 0.466) 0.649 10.450 ( -7.979 0.000 -9.229) 12.200 10.450 ( 7.979 0.000 -9.229) 12.200 11.030 ( -2.196 0.000 1.199) 2.502 11.030 ( 2.196 0.000 1.199) 2.502 11.350 ( -7.077 0.000 3.178) 7.758 11.350 ( 7.077 0.000 3.178) 7.758 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 6.116 20.486) 21.380 1.120 ( 0.000 16.091 18.168) 24.270 1.318 ( 0.000 19.307 1.135) 19.340 1.510 ( 0.000 -1.102 0.460) 1.195 1.575 ( 0.000 -0.889 -1.799) 2.006 1.694 ( 0.000 8.292 -5.472) 9.935 1.727 ( 0.000 7.524 -5.946) 9.590 1.733 ( 0.000 4.240 -4.824) 6.422 1.861 ( 0.000 5.072 -6.705) 8.408 1.898 ( 0.000 -7.326 7.355) 10.381 2.122 ( 0.000 10.468 35.605) 37.112 2.219 ( 0.000 4.607 -5.784) 7.394 2.375 ( 0.000 -6.442 5.369) 8.386 2.465 ( 0.000 2.052 1.047) 2.303 2.499 ( 0.000 4.806 -2.407) 5.376 2.560 ( 0.000 0.179 -10.052) 10.054 2.768 ( 0.000 -2.009 -11.613) 11.786 2.909 ( 0.000 -2.423 5.482) 5.993 2.971 ( 0.000 3.814 -0.703) 3.878 3.176 ( 0.000 -4.279 -1.123) 4.424 3.198 ( 0.000 0.572 0.370) 0.682 3.562 ( 0.000 -3.798 -5.473) 6.661 3.754 ( 0.000 -8.711 -2.142) 8.971 3.818 ( 0.000 1.575 2.553) 3.000 3.854 ( 0.000 5.263 0.639) 5.301 3.946 ( 0.000 -1.022 7.799) 7.866 4.060 ( 0.000 9.770 6.534) 11.754 4.212 ( 0.000 2.733 0.503) 2.779 4.440 ( 0.000 11.640 5.644) 12.936 4.498 ( 0.000 -11.448 -7.388) 13.625 4.718 ( 0.000 4.676 6.574) 8.068 4.747 ( 0.000 -4.739 -1.934) 5.119 4.918 ( 0.000 0.879 0.212) 0.904 5.045 ( 0.000 4.326 -10.682) 11.524 5.082 ( 0.000 -2.410 -2.107) 3.201 5.151 ( 0.000 -1.314 4.908) 5.081 5.197 ( 0.000 -9.907 -8.862) 13.292 5.327 ( 0.000 -4.784 0.516) 4.812 5.434 ( 0.000 4.575 -2.401) 5.167 5.603 ( 0.000 3.357 3.323) 4.724 5.761 ( 0.000 1.196 -2.577) 2.841 5.828 ( 0.000 2.175 -9.551) 9.795 5.933 ( 0.000 -7.505 -3.044) 8.098 5.963 ( 0.000 -8.906 3.875) 9.713 5.984 ( 0.000 6.004 -13.505) 14.780 6.219 ( 0.000 0.789 0.938) 1.226 6.254 ( 0.000 -1.066 7.520) 7.595 6.365 ( 0.000 -1.606 -0.642) 1.729 6.429 ( 0.000 -4.673 1.329) 4.859 6.443 ( 0.000 -1.945 0.355) 1.977 6.550 ( 0.000 0.049 -4.896) 4.896 6.622 ( 0.000 0.748 0.294) 0.804 6.662 ( 0.000 -1.295 -6.097) 6.233 6.718 ( 0.000 -2.108 -4.064) 4.578 6.795 ( 0.000 -5.708 5.679) 8.051 6.847 ( 0.000 -0.569 2.115) 2.190 6.860 ( 0.000 0.985 1.184) 1.540 6.938 ( 0.000 -1.167 -0.611) 1.318 7.029 ( 0.000 0.618 3.584) 3.637 7.144 ( 0.000 3.471 1.459) 3.766 7.180 ( 0.000 -0.743 -3.051) 3.141 7.207 ( 0.000 3.352 1.007) 3.500 7.344 ( 0.000 11.417 -4.170) 12.155 7.352 ( 0.000 1.797 -2.173) 2.820 7.623 ( 0.000 1.324 -1.172) 1.769 7.654 ( 0.000 -4.117 14.651) 15.218 8.016 ( 0.000 -2.161 -4.764) 5.231 8.405 ( 0.000 -11.559 -2.781) 11.889 9.859 ( 0.000 0.636 1.940) 2.041 9.889 ( 0.000 1.566 2.302) 2.784 9.912 ( 0.000 -0.818 2.290) 2.432 9.992 ( 0.000 -0.466 1.940) 1.995 10.050 ( 0.000 12.818 -3.834) 13.379 10.062 ( 0.000 4.718 -2.253) 5.228 10.173 ( 0.000 1.023 -0.228) 1.048 10.197 ( 0.000 0.183 0.229) 0.293 10.254 ( 0.000 1.696 -2.491) 3.013 10.314 ( 0.000 -1.185 0.273) 1.216 10.319 ( 0.000 2.449 -1.463) 2.852 10.608 ( 0.000 -1.933 -10.246) 10.427 10.950 ( 0.000 0.748 2.390) 2.505 11.035 ( 0.000 -0.988 0.398) 1.065 11.219 ( 0.000 -2.793 5.226) 5.926 11.468 ( 0.000 -9.565 -0.083) 9.565 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 5.257 6.709 20.401) 22.110 1.172 ( 5.147 13.923 13.777) 20.252 1.320 ( -1.350 16.164 4.895) 16.943 1.430 ( -7.207 1.916 3.815) 8.376 1.595 ( 2.402 -2.820 -2.117) 4.266 1.640 ( -3.088 9.579 -1.998) 10.261 1.719 ( 1.671 6.415 -5.966) 8.919 1.806 ( 1.662 1.831 -9.592) 9.906 1.849 ( -1.233 4.264 -6.923) 8.223 1.871 ( -3.538 -6.263 4.552) 8.513 2.176 ( 4.081 5.087 19.539) 20.598 2.245 ( 6.472 5.573 8.888) 12.326 2.384 ( -4.546 -0.515 5.553) 7.195 2.436 ( 3.261 -4.490 1.725) 5.811 2.503 ( 1.460 5.216 -3.475) 6.436 2.634 ( 3.704 1.799 -9.342) 10.209 2.740 ( -2.886 -1.570 -9.449) 10.004 2.856 ( -7.306 1.136 1.566) 7.558 2.974 ( 0.532 5.621 -1.933) 5.968 3.114 ( -5.434 -3.256 3.741) 7.357 3.188 ( 2.432 2.288 0.506) 3.377 3.529 ( -7.075 -2.003 -3.101) 7.981 3.639 ( -4.768 -3.661 -1.088) 6.109 3.687 ( -7.758 -1.642 1.210) 8.022 3.920 ( 6.858 -0.294 0.253) 6.869 4.029 ( -0.327 6.334 3.057) 7.041 4.130 ( 8.561 2.199 8.005) 11.925 4.288 ( 3.399 5.649 4.322) 7.883 4.468 ( 3.936 6.691 3.939) 8.705 4.587 ( 6.928 -7.773 -6.243) 12.140 4.643 ( -7.189 1.691 6.038) 9.539 4.719 ( -1.808 -3.993 -2.048) 4.839 4.924 ( 2.036 -2.319 -3.911) 4.983 5.050 ( 0.426 3.451 -10.995) 11.532 5.058 ( -1.903 -3.247 -0.856) 3.860 5.138 ( -1.324 -4.109 -3.440) 5.520 5.178 ( -1.630 -0.425 -3.366) 3.764 5.303 ( -1.532 -5.050 6.212) 8.151 5.529 ( 6.886 2.243 -5.024) 8.813 5.616 ( 0.405 2.901 1.401) 3.247 5.777 ( -4.488 3.200 -0.381) 5.525 5.801 ( 2.417 -1.586 -3.904) 4.858 5.896 ( -3.461 -5.445 -5.358) 8.387 5.958 ( 0.625 -0.863 -5.025) 5.137 6.061 ( 8.237 -0.893 -3.793) 9.112 6.232 ( -1.645 -5.371 4.045) 6.922 6.253 ( 2.712 -1.036 1.023) 3.078 6.335 ( -1.089 -0.588 1.042) 1.618 6.369 ( -3.194 -0.810 -0.475) 3.329 6.502 ( -1.249 -0.257 -2.629) 2.922 6.558 ( 1.648 -2.263 -1.554) 3.202 6.609 ( -0.306 0.628 -4.779) 4.830 6.650 ( -1.365 -1.290 -5.598) 5.905 6.695 ( -2.760 -2.219 -4.515) 5.739 6.805 ( 0.896 -4.857 3.897) 6.291 6.826 ( -0.534 -1.438 1.299) 2.010 6.892 ( 2.306 1.742 3.354) 4.428 6.944 ( 0.266 -3.844 1.034) 3.990 7.008 ( -0.908 2.849 3.976) 4.975 7.094 ( -5.158 0.825 -1.766) 5.514 7.184 ( 2.739 3.961 2.331) 5.350 7.242 ( 1.004 6.119 1.251) 6.326 7.354 ( 1.349 2.093 -1.926) 3.148 7.405 ( 3.644 5.469 -3.855) 7.619 7.557 ( -2.569 1.389 4.317) 5.212 7.674 ( -1.603 -2.222 8.511) 8.942 8.066 ( 5.613 -3.980 -4.295) 8.111 8.341 ( -6.459 -10.017 -2.338) 12.146 9.865 ( 0.587 0.784 1.898) 2.136 9.891 ( -0.120 0.795 1.966) 2.124 9.910 ( 0.268 0.677 2.593) 2.693 9.965 ( -2.155 1.740 2.458) 3.703 10.042 ( 0.013 7.037 -1.755) 7.253 10.061 ( -0.468 4.740 -2.312) 5.294 10.187 ( 0.826 0.984 0.890) 1.563 10.213 ( 0.122 1.797 -0.704) 1.934 10.295 ( 3.152 0.084 -0.739) 3.239 10.316 ( -0.045 1.133 -0.670) 1.317 10.332 ( 3.522 1.324 -5.565) 6.718 10.562 ( -4.675 -1.200 -10.120) 11.212 10.979 ( 2.624 0.222 1.955) 3.280 11.038 ( 0.087 -0.912 0.717) 1.163 11.230 ( 1.636 -3.253 4.822) 6.043 11.407 ( -5.943 -7.817 1.465) 9.929 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -7.468 9.945 14.290) 18.944 1.204 ( 7.468 9.945 14.290) 18.944 1.304 ( -6.062 7.837 8.736) 13.209 1.304 ( 6.062 7.837 8.736) 13.209 1.626 ( -0.014 5.023 -3.403) 6.068 1.626 ( 0.014 5.023 -3.403) 6.068 1.766 ( -4.637 0.285 -2.651) 5.349 1.766 ( 4.637 0.285 -2.651) 5.349 1.831 ( -0.839 0.047 -7.548) 7.595 1.831 ( 0.839 0.047 -7.548) 7.595 2.270 ( -5.741 1.047 11.598) 12.983 2.270 ( 5.741 1.047 11.598) 12.983 2.411 ( -6.277 -1.417 3.943) 7.547 2.411 ( 6.277 -1.417 3.943) 7.547 2.626 ( -10.128 9.150 -1.416) 13.722 2.626 ( 10.128 9.150 -1.416) 13.722 2.695 ( -2.575 -1.614 -6.180) 6.886 2.695 ( 2.575 -1.614 -6.180) 6.886 3.021 ( -4.694 2.474 0.679) 5.350 3.021 ( 4.694 2.474 0.679) 5.350 3.336 ( -11.956 2.922 -2.148) 12.494 3.336 ( 11.956 2.922 -2.148) 12.494 3.606 ( -0.891 -5.832 2.504) 6.409 3.606 ( 0.891 -5.832 2.504) 6.409 4.019 ( -3.066 2.304 -2.392) 4.520 4.019 ( 3.066 2.304 -2.392) 4.520 4.263 ( -6.786 6.105 11.411) 14.612 4.263 ( 6.786 6.105 11.411) 14.612 4.521 ( -4.908 3.707 4.131) 7.409 4.521 ( 4.908 3.707 4.131) 7.409 4.699 ( -3.457 -8.448 -7.998) 12.136 4.699 ( 3.457 -8.448 -7.998) 12.136 4.995 ( -4.986 -3.695 -2.706) 6.771 4.995 ( 4.986 -3.695 -2.706) 6.771 5.070 ( -2.541 1.408 -8.482) 8.965 5.070 ( 2.541 1.408 -8.482) 8.965 5.245 ( -5.052 -4.204 4.638) 8.044 5.245 ( 5.052 -4.204 4.638) 8.044 5.594 ( -1.989 4.958 -4.443) 6.948 5.594 ( 1.989 4.958 -4.443) 6.948 5.771 ( -5.374 5.282 3.055) 8.131 5.771 ( 5.374 5.282 3.055) 8.131 5.925 ( -5.233 -12.331 -6.162) 14.745 5.925 ( 5.233 -12.331 -6.162) 14.745 6.195 ( -4.201 0.287 -0.177) 4.215 6.195 ( 4.201 0.287 -0.177) 4.215 6.308 ( -3.351 -1.272 -2.257) 4.236 6.308 ( 3.351 -1.272 -2.257) 4.236 6.389 ( -7.228 0.446 0.721) 7.278 6.389 ( 7.228 0.446 0.721) 7.278 6.602 ( -2.236 -2.893 -4.587) 5.867 6.602 ( 2.236 -2.893 -4.587) 5.867 6.643 ( -2.129 -0.589 -5.771) 6.180 6.643 ( 2.129 -0.589 -5.771) 6.180 6.821 ( -0.584 -2.848 2.320) 3.720 6.821 ( 0.584 -2.848 2.320) 3.720 6.933 ( -1.774 -1.463 3.167) 3.913 6.933 ( 1.774 -1.463 3.167) 3.913 7.020 ( -2.499 1.946 1.502) 3.505 7.020 ( 2.499 1.946 1.502) 3.505 7.230 ( -2.058 6.745 1.571) 7.225 7.230 ( 2.058 6.745 1.571) 7.225 7.401 ( -3.072 1.898 -1.065) 3.765 7.401 ( 3.072 1.898 -1.065) 3.765 7.598 ( -5.431 0.488 5.074) 7.449 7.598 ( 5.431 0.488 5.074) 7.449 8.200 ( -8.320 -7.142 -2.695) 11.292 8.200 ( 8.320 -7.142 -2.695) 11.292 9.879 ( -0.916 0.792 1.733) 2.114 9.879 ( 0.916 0.792 1.733) 2.114 9.930 ( -1.634 1.678 3.082) 3.870 9.930 ( 1.634 1.678 3.082) 3.870 10.049 ( -0.665 4.832 -1.799) 5.199 10.049 ( 0.665 4.832 -1.799) 5.199 10.203 ( -0.864 1.359 0.326) 1.643 10.203 ( 0.864 1.359 0.326) 1.643 10.313 ( -0.268 0.645 0.211) 0.729 10.313 ( 0.268 0.645 0.211) 0.729 10.452 ( -7.165 0.267 -9.837) 12.173 10.452 ( 7.165 0.267 -9.837) 12.173 11.024 ( -1.856 -0.503 1.377) 2.365 11.024 ( 1.856 -0.503 1.377) 2.365 11.294 ( -5.467 -4.974 3.572) 8.209 11.294 ( 5.467 -4.974 3.572) 8.209 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 10.058 14.574) 17.708 1.374 ( 0.000 7.130 15.118) 16.715 1.528 ( 0.000 2.802 3.094) 4.174 1.587 ( 0.000 2.333 0.796) 2.465 1.699 ( 0.000 8.349 5.020) 9.742 1.723 ( 0.000 -1.688 2.352) 2.895 1.770 ( 0.000 -3.225 6.204) 6.992 1.843 ( 0.000 11.975 1.761) 12.104 1.867 ( 0.000 -0.494 -11.432) 11.443 2.030 ( 0.000 10.013 -9.615) 13.882 2.266 ( 0.000 -0.687 -12.438) 12.457 2.307 ( 0.000 1.399 9.374) 9.478 2.380 ( 0.000 11.346 23.054) 25.695 2.439 ( 0.000 -2.821 6.573) 7.152 2.503 ( 0.000 -8.420 -1.437) 8.541 2.567 ( 0.000 0.718 -0.766) 1.050 2.872 ( 0.000 10.377 -9.811) 14.281 2.923 ( 0.000 6.265 1.321) 6.403 3.077 ( 0.000 3.270 -3.107) 4.511 3.139 ( 0.000 8.918 -7.374) 11.572 3.227 ( 0.000 1.340 -8.315) 8.423 3.421 ( 0.000 -10.747 -2.557) 11.047 3.491 ( 0.000 -13.157 -16.150) 20.831 3.917 ( 0.000 -8.456 1.097) 8.527 3.948 ( 0.000 8.937 -7.166) 11.455 3.991 ( 0.000 9.296 5.919) 11.021 4.171 ( 0.000 -5.654 -4.190) 7.037 4.314 ( 0.000 12.900 10.883) 16.877 4.317 ( 0.000 -3.187 0.960) 3.328 4.618 ( 0.000 3.635 3.643) 5.146 4.668 ( 0.000 -4.062 3.634) 5.450 4.813 ( 0.000 -14.543 0.452) 14.550 4.814 ( 0.000 3.583 1.754) 3.989 4.989 ( 0.000 -3.166 -0.727) 3.249 5.065 ( 0.000 3.290 0.802) 3.386 5.076 ( 0.000 1.090 -7.113) 7.196 5.150 ( 0.000 2.687 3.339) 4.286 5.292 ( 0.000 -2.363 -4.917) 5.456 5.466 ( 0.000 -8.434 -3.531) 9.143 5.540 ( 0.000 -10.300 1.475) 10.405 5.710 ( 0.000 3.742 2.410) 4.451 5.846 ( 0.000 3.908 3.327) 5.132 5.914 ( 0.000 2.845 6.200) 6.822 5.952 ( 0.000 6.597 0.394) 6.609 6.156 ( 0.000 2.768 -5.788) 6.416 6.194 ( 0.000 -5.649 3.226) 6.505 6.264 ( 0.000 8.539 -3.313) 9.159 6.337 ( 0.000 -1.209 -2.132) 2.451 6.339 ( 0.000 -2.915 6.737) 7.341 6.426 ( 0.000 0.742 -0.177) 0.763 6.523 ( 0.000 -2.349 -5.191) 5.698 6.595 ( 0.000 -3.736 2.562) 4.530 6.606 ( 0.000 -4.989 -0.004) 4.989 6.671 ( 0.000 -4.051 0.812) 4.131 6.680 ( 0.000 -2.336 -6.093) 6.525 6.784 ( 0.000 -6.691 -1.554) 6.869 6.890 ( 0.000 1.162 1.144) 1.631 6.897 ( 0.000 0.058 3.133) 3.133 7.036 ( 0.000 -0.618 -3.217) 3.276 7.125 ( 0.000 -3.430 -0.567) 3.476 7.215 ( 0.000 2.700 -0.471) 2.741 7.248 ( 0.000 0.969 1.688) 1.946 7.413 ( 0.000 3.666 -0.397) 3.687 7.548 ( 0.000 -1.333 3.533) 3.777 7.615 ( 0.000 8.754 -0.385) 8.762 7.687 ( 0.000 4.248 -3.634) 5.590 7.968 ( 0.000 -1.932 -3.970) 4.415 8.171 ( 0.000 -10.530 -2.164) 10.751 9.879 ( 0.000 1.381 1.915) 2.361 9.907 ( 0.000 0.177 2.035) 2.043 9.917 ( 0.000 0.967 2.981) 3.134 9.965 ( 0.000 -1.701 3.134) 3.566 10.164 ( 0.000 4.259 -1.128) 4.405 10.184 ( 0.000 0.069 -0.484) 0.489 10.188 ( 0.000 0.115 1.343) 1.348 10.280 ( 0.000 -1.616 -1.260) 2.049 10.300 ( 0.000 8.487 -7.294) 11.191 10.320 ( 0.000 5.172 -4.336) 6.749 10.386 ( 0.000 3.222 -3.906) 5.063 10.548 ( 0.000 -3.909 -9.403) 10.183 10.978 ( 0.000 1.962 2.298) 3.021 11.016 ( 0.000 -0.555 1.339) 1.449 11.150 ( 0.000 -3.362 4.274) 5.438 11.263 ( 0.000 -9.231 3.120) 9.744 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 3.955 8.851 14.144) 17.147 1.390 ( 1.701 5.407 12.069) 13.333 1.519 ( -3.456 6.402 6.356) 9.661 1.541 ( -2.142 2.091 -1.222) 3.234 1.641 ( -3.742 6.234 6.419) 9.699 1.705 ( -3.927 -2.713 2.060) 5.198 1.750 ( -1.255 -3.991 5.094) 6.592 1.816 ( -4.552 -2.042 -7.020) 8.612 1.879 ( 3.691 10.639 0.214) 11.263 2.023 ( -1.689 9.836 -7.863) 12.706 2.215 ( -0.687 0.944 -3.569) 3.755 2.339 ( -5.008 -4.736 6.385) 9.396 2.378 ( 2.921 2.710 7.303) 8.319 2.431 ( 3.514 4.472 6.851) 8.904 2.569 ( 5.018 -0.382 4.404) 6.688 2.625 ( 2.690 -3.195 0.919) 4.276 2.832 ( -0.554 11.303 -8.342) 14.059 2.973 ( 1.022 9.835 -1.751) 10.042 3.080 ( -0.785 2.651 -2.586) 3.786 3.096 ( -2.556 8.075 -8.245) 11.821 3.237 ( 3.690 1.770 -5.935) 7.209 3.458 ( 0.602 -6.243 -7.285) 9.612 3.484 ( 0.251 -9.586 -10.684) 14.356 3.712 ( -12.250 -1.440 -9.684) 15.682 3.972 ( 1.359 7.953 8.402) 11.648 4.099 ( -1.142 2.248 6.144) 6.641 4.169 ( 7.962 -3.240 -6.673) 10.882 4.350 ( 4.873 0.462 4.581) 6.704 4.441 ( 6.878 0.685 2.799) 7.457 4.609 ( -7.323 -3.349 5.844) 9.950 4.635 ( 1.253 2.271 4.369) 5.081 4.707 ( -3.114 -3.217 -1.759) 4.810 4.878 ( 1.820 0.505 0.998) 2.136 4.997 ( -0.210 -5.129 -0.542) 5.162 5.037 ( -1.736 2.360 -5.061) 5.848 5.061 ( -1.400 -0.170 -4.604) 4.815 5.174 ( 0.949 0.359 3.290) 3.442 5.204 ( -4.881 -3.264 0.380) 5.884 5.514 ( 1.917 -12.357 0.954) 12.541 5.573 ( 2.367 -8.213 -1.893) 8.754 5.737 ( 3.771 5.185 1.057) 6.498 5.859 ( 0.508 5.805 1.394) 5.991 5.883 ( -1.763 6.454 2.745) 7.232 5.992 ( 0.783 3.704 4.106) 5.585 6.161 ( -2.562 -1.661 4.187) 5.182 6.173 ( 1.821 -0.871 -3.153) 3.744 6.212 ( -0.748 0.335 -1.082) 1.357 6.315 ( 0.886 1.030 0.739) 1.547 6.348 ( -0.220 -0.354 -3.621) 3.645 6.454 ( -5.614 -2.785 -1.495) 6.443 6.530 ( 3.345 -0.024 -1.418) 3.633 6.581 ( -1.924 -4.889 -1.499) 5.463 6.622 ( 1.849 -2.472 -1.269) 3.338 6.636 ( -0.370 -1.023 -3.166) 3.348 6.734 ( 3.434 -2.587 -2.744) 5.101 6.798 ( 0.826 -3.611 -1.287) 3.921 6.867 ( -0.873 -0.545 1.848) 2.115 6.915 ( 0.509 0.219 2.132) 2.203 6.993 ( -2.831 -3.045 0.312) 4.169 7.063 ( -4.740 -3.490 0.043) 5.887 7.261 ( 4.002 3.113 0.698) 5.118 7.308 ( 4.508 1.077 1.969) 5.036 7.396 ( -1.396 2.743 -0.442) 3.110 7.512 ( -3.796 -0.952 3.970) 5.574 7.645 ( 2.612 9.063 -1.548) 9.558 7.700 ( 0.821 5.372 -2.586) 6.019 7.977 ( 1.542 -4.228 -4.363) 6.269 8.130 ( -4.244 -9.876 -2.562) 11.050 9.885 ( 0.529 1.326 2.113) 2.551 9.902 ( -0.355 0.685 2.326) 2.451 9.926 ( 0.843 0.362 2.755) 2.904 9.959 ( -0.652 -1.264 3.125) 3.433 10.160 ( -0.396 4.322 -1.133) 4.485 10.167 ( -1.161 2.690 -1.051) 3.112 10.198 ( 0.997 0.070 1.086) 1.476 10.255 ( -1.877 0.131 -1.100) 2.179 10.325 ( 1.866 4.449 -2.914) 5.637 10.356 ( 1.963 3.820 -5.429) 6.922 10.391 ( 1.491 2.911 -6.606) 7.371 10.522 ( -2.759 -2.862 -9.617) 10.407 10.995 ( 1.630 1.525 2.203) 3.136 11.023 ( 0.608 -0.163 1.598) 1.718 11.149 ( 0.223 -4.096 4.090) 5.793 11.232 ( -3.024 -8.140 3.336) 9.302 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -7.685 6.327 10.356) 14.364 1.349 ( 7.685 6.327 10.356) 14.364 1.494 ( -4.563 6.536 8.424) 11.597 1.494 ( 4.563 6.536 8.424) 11.597 1.623 ( -3.117 -2.305 -1.057) 4.018 1.623 ( 3.117 -2.305 -1.057) 4.018 1.754 ( -1.901 -2.739 1.727) 3.755 1.754 ( 1.901 -2.739 1.727) 3.755 1.960 ( -4.686 9.919 -3.506) 11.517 1.960 ( 4.686 9.919 -3.506) 11.517 2.249 ( -3.907 -2.704 2.089) 5.190 2.249 ( 3.907 -2.704 2.089) 5.190 2.445 ( -2.427 3.812 3.659) 5.814 2.445 ( 2.427 3.812 3.659) 5.814 2.628 ( -1.454 -4.247 3.366) 5.611 2.628 ( 1.454 -4.247 3.366) 5.611 2.904 ( -6.975 16.279 -4.828) 18.356 2.904 ( 6.975 16.279 -4.828) 18.356 3.070 ( -1.505 3.422 -4.560) 5.897 3.070 ( 1.505 3.422 -4.560) 5.897 3.378 ( -8.648 -0.134 -7.915) 11.724 3.378 ( 8.648 -0.134 -7.915) 11.724 3.533 ( -5.282 -4.031 -7.735) 10.197 3.533 ( 5.282 -4.031 -7.735) 10.197 4.036 ( -4.349 3.265 2.456) 5.967 4.036 ( 4.349 3.265 2.456) 5.967 4.338 ( -8.053 -2.711 5.122) 9.922 4.338 ( 8.053 -2.711 5.122) 9.922 4.513 ( -1.919 -1.044 1.748) 2.798 4.513 ( 1.919 -1.044 1.748) 2.798 4.666 ( -1.931 0.083 0.725) 2.065 4.666 ( 1.931 0.083 0.725) 2.065 4.936 ( -4.826 1.580 0.660) 5.121 4.936 ( 4.826 1.580 0.660) 5.121 5.036 ( -0.843 -3.666 -7.042) 7.983 5.036 ( 0.843 -3.666 -7.042) 7.983 5.173 ( -0.616 -1.478 4.871) 5.128 5.173 ( 0.616 -1.478 4.871) 5.128 5.557 ( -2.880 -11.781 1.188) 12.187 5.557 ( 2.880 -11.781 1.188) 12.187 5.827 ( -3.883 7.040 -3.858) 8.917 5.827 ( 3.883 7.040 -3.858) 8.917 5.916 ( -5.457 7.788 6.586) 11.568 5.916 ( 5.457 7.788 6.586) 11.568 6.174 ( -1.448 -4.925 0.427) 5.151 6.174 ( 1.448 -4.925 0.427) 5.151 6.295 ( -6.852 -3.358 0.565) 7.651 6.295 ( 6.852 -3.358 0.565) 7.651 6.348 ( -1.309 1.771 -3.087) 3.791 6.348 ( 1.309 1.771 -3.087) 3.791 6.553 ( -0.863 -2.615 -3.982) 4.842 6.553 ( 0.863 -2.615 -3.982) 4.842 6.644 ( -0.223 0.958 -2.395) 2.589 6.644 ( 0.223 0.958 -2.395) 2.589 6.788 ( -2.022 -0.913 -2.840) 3.604 6.788 ( 2.022 -0.913 -2.840) 3.604 6.887 ( -2.785 -1.987 1.770) 3.852 6.887 ( 2.785 -1.987 1.770) 3.852 6.993 ( -2.595 -4.387 2.764) 5.798 6.993 ( 2.595 -4.387 2.764) 5.798 7.329 ( -2.844 3.557 0.834) 4.630 7.329 ( 2.844 3.557 0.834) 4.630 7.426 ( -4.977 -0.725 3.284) 6.007 7.426 ( 4.977 -0.725 3.284) 6.007 7.690 ( -1.923 8.285 -2.265) 8.802 7.690 ( 1.923 8.285 -2.265) 8.802 8.039 ( -4.981 -8.050 -3.722) 10.172 8.039 ( 4.981 -8.050 -3.722) 10.172 9.895 ( -0.480 1.086 2.351) 2.634 9.895 ( 0.480 1.086 2.351) 2.634 9.944 ( -0.979 -0.393 2.934) 3.118 9.944 ( 0.979 -0.393 2.934) 3.118 10.156 ( -0.102 4.162 -1.193) 4.331 10.156 ( 0.102 4.162 -1.193) 4.331 10.222 ( -1.630 0.161 0.231) 1.654 10.222 ( 1.630 0.161 0.231) 1.654 10.353 ( -1.191 3.489 -2.663) 4.548 10.353 ( 1.191 3.489 -2.663) 4.548 10.456 ( -4.256 -0.185 -9.904) 10.782 10.456 ( 4.256 -0.185 -9.904) 10.782 11.022 ( -0.992 0.776 2.010) 2.372 11.022 ( 0.992 0.776 2.010) 2.372 11.174 ( -2.730 -6.054 3.696) 7.600 11.174 ( 2.730 -6.054 3.696) 7.600 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 -5.892 8.854) 10.635 1.386 ( 0.000 5.892 8.854) 10.635 1.595 ( 0.000 -2.315 9.424) 9.704 1.595 ( 0.000 2.315 9.424) 9.704 1.688 ( 0.000 -0.520 8.246) 8.262 1.688 ( 0.000 0.520 8.246) 8.262 1.801 ( 0.000 -3.820 -7.179) 8.132 1.801 ( 0.000 3.820 -7.179) 8.132 2.184 ( 0.000 -1.012 -9.752) 9.804 2.184 ( 0.000 1.012 -9.752) 9.804 2.207 ( 0.000 -12.344 3.528) 12.839 2.207 ( 0.000 12.344 3.528) 12.839 2.381 ( 0.000 -3.001 6.982) 7.599 2.381 ( 0.000 3.001 6.982) 7.599 2.548 ( 0.000 -3.793 6.942) 7.910 2.548 ( 0.000 3.793 6.942) 7.910 3.019 ( 0.000 -0.712 -3.768) 3.835 3.019 ( 0.000 0.712 -3.768) 3.835 3.183 ( 0.000 -8.314 -7.509) 11.203 3.183 ( 0.000 8.314 -7.509) 11.203 3.273 ( 0.000 -8.025 -12.709) 15.031 3.273 ( 0.000 8.025 -12.709) 15.031 3.551 ( 0.000 -23.375 -6.550) 24.275 3.551 ( 0.000 23.375 -6.550) 24.275 4.062 ( 0.000 -4.553 -11.289) 12.173 4.062 ( 0.000 4.553 -11.289) 12.173 4.266 ( 0.000 -10.773 9.111) 14.109 4.266 ( 0.000 10.773 9.111) 14.109 4.496 ( 0.000 -5.430 7.223) 9.036 4.496 ( 0.000 5.430 7.223) 9.036 4.628 ( 0.000 -3.271 2.260) 3.976 4.628 ( 0.000 3.271 2.260) 3.976 4.919 ( 0.000 -5.390 0.443) 5.408 4.919 ( 0.000 5.390 0.443) 5.408 5.170 ( 0.000 -3.473 3.819) 5.162 5.170 ( 0.000 3.473 3.819) 5.162 5.202 ( 0.000 -4.672 -5.500) 7.217 5.202 ( 0.000 4.672 -5.500) 7.217 5.323 ( 0.000 -7.360 0.491) 7.377 5.323 ( 0.000 7.360 0.491) 7.377 5.860 ( 0.000 -5.940 7.271) 9.389 5.860 ( 0.000 5.940 7.271) 9.389 6.021 ( 0.000 -7.149 1.280) 7.263 6.021 ( 0.000 7.149 1.280) 7.263 6.109 ( 0.000 -4.667 0.715) 4.721 6.109 ( 0.000 4.667 0.715) 4.721 6.312 ( 0.000 -0.391 5.539) 5.553 6.312 ( 0.000 0.391 5.539) 5.553 6.461 ( 0.000 -3.510 -3.311) 4.825 6.461 ( 0.000 3.510 -3.311) 4.825 6.495 ( 0.000 -6.135 -0.379) 6.147 6.495 ( 0.000 6.135 -0.379) 6.147 6.571 ( 0.000 -6.160 -2.014) 6.481 6.571 ( 0.000 6.160 -2.014) 6.481 6.666 ( 0.000 -2.863 -4.943) 5.713 6.666 ( 0.000 2.863 -4.943) 5.713 6.898 ( 0.000 -0.100 1.835) 1.837 6.898 ( 0.000 0.100 1.835) 1.837 7.059 ( 0.000 -2.653 -2.332) 3.532 7.059 ( 0.000 2.653 -2.332) 3.532 7.250 ( 0.000 -0.760 0.406) 0.861 7.250 ( 0.000 0.760 0.406) 0.861 7.485 ( 0.000 -3.263 2.859) 4.338 7.485 ( 0.000 3.263 2.859) 4.338 7.745 ( 0.000 -0.529 -5.087) 5.115 7.745 ( 0.000 0.529 -5.087) 5.115 7.992 ( 0.000 -5.866 -2.782) 6.492 7.992 ( 0.000 5.866 -2.782) 6.492 9.907 ( 0.000 -0.726 1.378) 1.558 9.907 ( 0.000 0.726 1.378) 1.558 9.932 ( 0.000 -1.096 3.885) 4.037 9.932 ( 0.000 1.096 3.885) 4.037 10.186 ( 0.000 -0.163 0.340) 0.377 10.186 ( 0.000 0.163 0.340) 0.377 10.233 ( 0.000 -2.702 -0.103) 2.704 10.233 ( 0.000 2.702 -0.103) 2.704 10.405 ( 0.000 -1.020 -7.704) 7.771 10.405 ( 0.000 1.020 -7.704) 7.771 10.449 ( 0.000 -5.408 -6.464) 8.428 10.449 ( 0.000 5.408 -6.464) 8.428 11.013 ( 0.000 -0.496 2.288) 2.341 11.013 ( 0.000 0.496 2.288) 2.341 11.128 ( 0.000 -2.905 3.536) 4.576 11.128 ( 0.000 2.905 3.536) 4.576 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.556 -5.021 6.437) 8.311 1.391 ( 1.556 5.021 6.437) 8.311 1.597 ( -1.739 -3.434 7.338) 8.286 1.597 ( -1.739 3.434 7.338) 8.286 1.657 ( -2.637 -4.687 7.355) 9.112 1.657 ( -2.637 4.687 7.355) 9.112 1.737 ( -4.948 -3.600 -0.622) 6.150 1.737 ( -4.948 3.600 -0.622) 6.150 2.147 ( -2.691 -11.703 3.331) 12.462 2.147 ( -2.691 11.703 3.331) 12.462 2.178 ( -1.325 -4.348 -8.364) 9.519 2.178 ( -1.325 4.348 -8.364) 9.519 2.451 ( 5.009 -2.857 6.340) 8.570 2.451 ( 5.009 2.857 6.340) 8.570 2.571 ( 0.779 -1.539 5.804) 6.054 2.571 ( 0.779 1.539 5.804) 6.054 3.029 ( 3.230 -4.250 -4.775) 7.162 3.029 ( 3.230 4.250 -4.775) 7.162 3.205 ( -0.174 -5.996 -6.281) 8.685 3.205 ( -0.174 5.996 -6.281) 8.685 3.305 ( 3.795 -2.987 -13.777) 14.599 3.305 ( 3.795 2.987 -13.777) 14.599 3.500 ( -5.290 -16.821 -10.393) 20.468 3.500 ( -5.290 16.821 -10.393) 20.468 4.099 ( 4.032 -1.764 -4.657) 6.407 4.099 ( 4.032 1.764 -4.657) 6.407 4.247 ( -2.098 -12.471 7.612) 14.760 4.247 ( -2.098 12.471 7.612) 14.760 4.520 ( 2.325 -7.093 6.186) 9.694 4.520 ( 2.325 7.093 6.186) 9.694 4.620 ( -1.290 -4.047 2.761) 5.066 4.620 ( -1.290 4.047 2.761) 5.066 4.931 ( 1.604 -3.412 -0.617) 3.820 4.931 ( 1.604 3.412 -0.617) 3.820 5.091 ( -6.573 -3.975 -3.382) 8.393 5.091 ( -6.573 3.975 -3.382) 8.393 5.221 ( 2.807 -9.127 3.160) 10.058 5.221 ( 2.807 9.127 3.160) 10.058 5.342 ( -0.633 -9.164 1.517) 9.311 5.342 ( -0.633 9.164 1.517) 9.311 5.904 ( 4.949 -5.798 5.355) 9.315 5.904 ( 4.949 5.798 5.355) 9.315 6.024 ( 0.296 -7.168 1.268) 7.285 6.024 ( 0.296 7.168 1.268) 7.285 6.098 ( -0.751 -4.369 0.847) 4.513 6.098 ( -0.751 4.369 0.847) 4.513 6.239 ( -6.249 -4.697 4.649) 9.095 6.239 ( -6.249 4.697 4.649) 9.095 6.464 ( -0.334 -5.395 -5.686) 7.845 6.464 ( -0.334 5.395 -5.686) 7.845 6.501 ( -1.372 -4.317 -1.417) 4.747 6.501 ( -1.372 4.317 -1.417) 4.747 6.614 ( 6.119 -3.891 -1.206) 7.351 6.614 ( 6.119 3.891 -1.206) 7.351 6.703 ( 2.619 -3.453 -3.058) 5.304 6.703 ( 2.619 3.453 -3.058) 5.304 6.891 ( -0.569 -1.720 1.842) 2.584 6.891 ( -0.569 1.720 1.842) 2.584 6.991 ( -5.649 -2.680 -1.209) 6.369 6.991 ( -5.649 2.680 -1.209) 6.369 7.304 ( 4.575 -1.174 0.875) 4.803 7.304 ( 4.575 1.174 0.875) 4.803 7.459 ( -2.808 -3.061 2.671) 4.939 7.459 ( -2.808 3.061 2.671) 4.939 7.782 ( 3.903 -1.830 -4.789) 6.443 7.782 ( 3.903 1.830 -4.789) 6.443 7.957 ( -3.689 -5.332 -3.119) 7.195 7.957 ( -3.689 5.332 -3.119) 7.195 9.912 ( 0.522 -0.664 1.783) 1.973 9.912 ( 0.522 0.664 1.783) 1.973 9.930 ( -0.268 -0.999 3.539) 3.687 9.930 ( -0.268 0.999 3.539) 3.687 10.192 ( 0.701 -0.545 0.295) 0.936 10.192 ( 0.701 0.545 0.295) 0.936 10.226 ( -0.720 -2.314 -0.009) 2.423 10.226 ( -0.720 2.314 -0.009) 2.423 10.412 ( 0.698 -1.370 -7.592) 7.747 10.412 ( 0.698 1.370 -7.592) 7.747 10.442 ( -0.663 -4.643 -6.761) 8.228 10.442 ( -0.663 4.643 -6.761) 8.228 11.029 ( 1.697 -0.723 2.499) 3.106 11.029 ( 1.697 0.723 2.499) 3.106 11.110 ( -1.850 -2.463 3.380) 4.573 11.110 ( -1.850 2.463 3.380) 4.573 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -6.820 -5.313 2.778) 9.081 1.475 ( 0.219 -4.076 2.778) 4.938 1.475 ( -0.219 4.076 2.778) 4.938 1.475 ( 6.820 5.313 2.778) 9.081 1.672 ( -2.638 -5.049 8.164) 9.955 1.672 ( 2.638 -5.049 8.164) 9.955 1.672 ( -2.638 5.049 8.164) 9.955 1.672 ( 2.638 5.049 8.164) 9.955 2.143 ( -1.514 -7.619 -2.197) 8.073 2.143 ( 1.418 -7.615 -2.197) 8.051 2.143 ( -1.418 7.615 -2.197) 8.051 2.143 ( 1.514 7.619 -2.197) 8.073 2.537 ( -1.986 -4.371 5.050) 6.968 2.537 ( -1.145 -4.295 5.050) 6.727 2.537 ( 1.145 4.295 5.050) 6.727 2.537 ( 1.986 4.371 5.050) 6.968 3.138 ( -6.505 -0.763 -4.933) 8.199 3.138 ( -6.335 0.189 -4.933) 8.031 3.138 ( 6.335 -0.189 -4.933) 8.031 3.138 ( 6.505 0.763 -4.933) 8.199 3.393 ( -5.385 -6.419 -14.242) 16.524 3.393 ( 4.511 -6.249 -14.242) 16.193 3.393 ( -4.511 6.249 -14.242) 16.193 3.393 ( 5.385 6.419 -14.242) 16.524 4.186 ( -4.623 -9.760 3.371) 11.313 4.186 ( 4.597 -9.757 3.371) 11.300 4.186 ( -4.597 9.757 3.371) 11.300 4.186 ( 4.623 9.760 3.371) 11.313 4.574 ( -3.132 -6.171 4.477) 8.243 4.574 ( 2.702 -6.120 4.477) 8.050 4.574 ( -2.702 6.120 4.477) 8.050 4.574 ( 3.132 6.171 4.477) 8.243 4.987 ( -3.954 -1.739 -2.726) 5.108 4.987 ( -2.637 -0.923 -2.726) 3.904 4.987 ( 2.637 0.923 -2.726) 3.904 4.987 ( 3.954 1.739 -2.726) 5.108 5.289 ( -3.546 -12.188 3.672) 13.214 5.289 ( 2.981 -12.150 3.672) 13.038 5.289 ( -2.981 12.150 3.672) 13.038 5.289 ( 3.546 12.188 3.672) 13.214 6.003 ( -2.863 -7.256 0.825) 7.844 6.003 ( 1.493 -7.152 0.825) 7.353 6.003 ( -1.493 7.152 0.825) 7.353 6.003 ( 2.863 7.256 0.825) 7.844 6.124 ( -3.887 -8.395 4.383) 10.237 6.124 ( 2.344 -8.251 4.383) 9.632 6.124 ( -2.344 8.251 4.383) 9.632 6.124 ( 3.887 8.395 4.383) 10.237 6.471 ( -1.259 -5.655 -5.036) 7.677 6.471 ( 1.245 -5.655 -5.036) 7.674 6.471 ( -1.245 5.655 -5.036) 7.674 6.471 ( 1.259 5.655 -5.036) 7.677 6.712 ( -2.297 -5.320 -1.773) 6.060 6.712 ( 1.606 -5.256 -1.773) 5.775 6.712 ( -1.606 5.256 -1.773) 5.775 6.712 ( 2.297 5.320 -1.773) 6.060 6.904 ( -2.857 -3.273 1.083) 4.478 6.904 ( 2.396 -3.179 1.083) 4.125 6.904 ( -2.396 3.179 1.083) 4.125 6.904 ( 2.857 3.273 1.083) 4.478 7.390 ( -4.376 -2.348 1.993) 5.351 7.390 ( -0.724 -0.924 1.993) 2.313 7.390 ( 0.724 0.924 1.993) 2.313 7.390 ( 4.376 2.348 1.993) 5.351 7.871 ( -3.455 -8.350 -3.967) 9.869 7.871 ( 0.827 -8.180 -3.967) 9.129 7.871 ( -0.827 8.180 -3.967) 9.129 7.871 ( 3.455 8.350 -3.967) 9.869 9.922 ( -0.349 -1.418 2.690) 3.061 9.922 ( 0.203 -1.411 2.690) 3.045 9.922 ( -0.203 1.411 2.690) 3.045 9.922 ( 0.349 1.418 2.690) 3.061 10.209 ( -1.030 -1.438 0.170) 1.777 10.209 ( 1.002 -1.433 0.170) 1.757 10.209 ( -1.002 1.433 0.170) 1.757 10.209 ( 1.030 1.438 0.170) 1.777 10.427 ( -0.915 -2.850 -7.271) 7.863 10.427 ( 0.914 -2.850 -7.271) 7.863 10.427 ( -0.914 2.850 -7.271) 7.863 10.427 ( 0.915 2.850 -7.271) 7.863 11.069 ( -1.527 -3.746 2.966) 5.017 11.069 ( 0.183 -3.669 2.966) 4.722 11.069 ( -0.183 3.669 2.966) 4.722 11.069 ( 1.527 3.746 2.966) 5.017 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 0.000 0.719) 0.719 1.169 ( 0.000 0.000 3.678) 3.678 1.408 ( 0.000 0.000 21.332) 21.332 1.433 ( 0.000 0.000 -0.684) 0.684 1.464 ( 0.000 0.000 -7.636) 7.636 1.585 ( 0.000 0.000 1.933) 1.933 1.605 ( 0.000 0.000 0.716) 0.716 1.618 ( 0.000 0.000 3.168) 3.168 1.762 ( 0.000 0.000 1.539) 1.539 2.091 ( 0.000 0.000 -8.268) 8.268 2.121 ( 0.000 0.000 1.880) 1.880 2.225 ( 0.000 0.000 -13.827) 13.827 2.273 ( 0.000 0.000 6.095) 6.095 2.474 ( 0.000 0.000 -18.915) 18.915 2.576 ( 0.000 0.000 0.831) 0.831 2.658 ( 0.000 0.000 -14.820) 14.820 2.667 ( 0.000 0.000 10.028) 10.028 2.704 ( 0.000 0.000 16.467) 16.467 3.021 ( 0.000 0.000 4.032) 4.032 3.395 ( 0.000 0.000 15.983) 15.983 3.443 ( 0.000 0.000 16.316) 16.316 3.459 ( 0.000 0.000 -11.521) 11.521 3.679 ( 0.000 0.000 5.083) 5.083 3.904 ( 0.000 0.000 -0.532) 0.532 4.045 ( 0.000 0.000 12.843) 12.843 4.048 ( 0.000 0.000 -4.859) 4.859 4.086 ( 0.000 0.000 -6.404) 6.404 4.305 ( 0.000 0.000 20.442) 20.442 4.376 ( 0.000 0.000 4.011) 4.011 4.488 ( 0.000 0.000 -7.810) 7.810 4.554 ( 0.000 0.000 -9.751) 9.751 4.812 ( 0.000 0.000 6.237) 6.237 4.866 ( 0.000 0.000 -5.348) 5.348 4.896 ( 0.000 0.000 -3.150) 3.150 5.018 ( 0.000 0.000 -10.454) 10.454 5.142 ( 0.000 0.000 1.751) 1.751 5.218 ( 0.000 0.000 -0.978) 0.978 5.229 ( 0.000 0.000 -18.794) 18.794 5.462 ( 0.000 0.000 6.208) 6.208 5.618 ( 0.000 0.000 -2.867) 2.867 5.619 ( 0.000 0.000 2.828) 2.828 5.693 ( 0.000 0.000 -2.002) 2.002 5.713 ( 0.000 0.000 -1.376) 1.376 5.945 ( 0.000 0.000 -2.553) 2.553 6.053 ( 0.000 0.000 -6.127) 6.127 6.269 ( 0.000 0.000 -13.356) 13.356 6.271 ( 0.000 0.000 5.638) 5.638 6.388 ( 0.000 0.000 2.569) 2.569 6.454 ( 0.000 0.000 0.736) 0.736 6.474 ( 0.000 0.000 -2.384) 2.384 6.492 ( 0.000 0.000 -5.760) 5.760 6.502 ( 0.000 0.000 2.652) 2.652 6.593 ( 0.000 0.000 -2.651) 2.651 6.698 ( 0.000 0.000 -5.285) 5.285 6.872 ( 0.000 0.000 1.843) 1.843 6.892 ( 0.000 0.000 1.768) 1.768 6.938 ( 0.000 0.000 2.578) 2.578 6.946 ( 0.000 0.000 2.282) 2.282 7.104 ( 0.000 0.000 -0.052) 0.052 7.148 ( 0.000 0.000 1.308) 1.308 7.151 ( 0.000 0.000 1.292) 1.292 7.175 ( 0.000 0.000 2.444) 2.444 7.291 ( 0.000 0.000 6.905) 6.905 7.350 ( 0.000 0.000 6.490) 6.490 7.566 ( 0.000 0.000 -5.147) 5.147 7.867 ( 0.000 0.000 -12.247) 12.247 8.009 ( 0.000 0.000 14.495) 14.495 8.426 ( 0.000 0.000 -7.508) 7.508 9.862 ( 0.000 0.000 1.346) 1.346 9.924 ( 0.000 0.000 2.091) 2.091 9.925 ( 0.000 0.000 -1.802) 1.802 9.939 ( 0.000 0.000 3.498) 3.498 10.001 ( 0.000 0.000 -1.711) 1.711 10.015 ( 0.000 0.000 2.471) 2.471 10.154 ( 0.000 0.000 1.174) 1.174 10.207 ( 0.000 0.000 0.611) 0.611 10.239 ( 0.000 0.000 1.912) 1.912 10.267 ( 0.000 0.000 -2.059) 2.059 10.317 ( 0.000 0.000 -1.607) 1.607 10.433 ( 0.000 0.000 -9.517) 9.517 10.994 ( 0.000 0.000 2.403) 2.403 11.043 ( 0.000 0.000 -0.382) 0.382 11.350 ( 0.000 0.000 4.760) 4.760 11.509 ( 0.000 0.000 -3.890) 3.890 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.659 0.000 1.587) 1.719 1.155 ( -2.119 0.000 0.265) 2.136 1.429 ( 0.934 0.000 -3.111) 3.248 1.466 ( 4.629 0.000 19.628) 20.166 1.482 ( -0.052 0.000 -7.609) 7.609 1.564 ( -3.347 0.000 -3.172) 4.611 1.598 ( -0.659 0.000 2.258) 2.352 1.651 ( 7.615 0.000 5.601) 9.453 1.740 ( -2.419 0.000 3.334) 4.119 2.021 ( -8.231 0.000 1.492) 8.365 2.186 ( 7.137 0.000 -0.828) 7.185 2.296 ( 5.939 0.000 -10.603) 12.154 2.299 ( 4.646 0.000 -3.144) 5.609 2.451 ( -2.566 0.000 -16.202) 16.404 2.533 ( -7.865 0.000 -5.187) 9.421 2.558 ( -3.975 0.000 -4.485) 5.993 2.705 ( 1.712 0.000 13.049) 13.161 2.757 ( 1.647 0.000 5.858) 6.085 3.036 ( 3.727 0.000 9.652) 10.347 3.339 ( -8.332 0.000 14.864) 17.040 3.348 ( -2.235 0.000 10.299) 10.539 3.533 ( -11.279 0.000 4.139) 12.014 3.588 ( 10.246 0.000 -10.476) 14.654 3.876 ( -2.581 0.000 5.202) 5.807 3.974 ( -7.695 0.000 11.960) 14.222 3.991 ( -9.265 0.000 -8.723) 12.725 4.157 ( 11.906 0.000 5.768) 13.230 4.422 ( 7.554 0.000 4.008) 8.552 4.434 ( 6.598 0.000 4.782) 8.148 4.586 ( 8.471 0.000 -6.128) 10.455 4.640 ( 6.188 0.000 -6.014) 8.629 4.735 ( -7.129 0.000 5.798) 9.189 4.803 ( -5.652 0.000 -1.954) 5.980 4.868 ( -4.191 0.000 -4.275) 5.987 4.999 ( 1.638 0.000 -13.157) 13.258 5.143 ( 0.421 0.000 2.782) 2.814 5.194 ( -1.958 0.000 1.086) 2.239 5.219 ( -3.304 0.000 -17.491) 17.801 5.471 ( 1.665 0.000 6.156) 6.377 5.625 ( -3.816 0.000 -6.212) 7.290 5.642 ( 2.696 0.000 1.896) 3.296 5.735 ( 1.903 0.000 -2.389) 3.054 5.795 ( 12.110 0.000 2.771) 12.423 5.921 ( 0.237 0.000 -2.198) 2.211 6.065 ( -0.827 0.000 -7.711) 7.756 6.214 ( -4.713 0.000 -5.481) 7.229 6.321 ( 2.840 0.000 -3.917) 4.838 6.356 ( -1.432 0.000 3.107) 3.421 6.420 ( -3.466 0.000 -1.898) 3.952 6.431 ( -3.036 0.000 -0.491) 3.076 6.474 ( -0.751 0.000 -3.799) 3.873 6.545 ( -4.851 0.000 -1.125) 4.979 6.571 ( 4.651 0.000 0.363) 4.665 6.688 ( -1.277 0.000 -3.777) 3.987 6.885 ( 1.370 0.000 1.137) 1.780 6.906 ( 1.954 0.000 0.243) 1.970 6.936 ( -0.065 0.000 2.342) 2.343 6.945 ( -0.190 0.000 2.023) 2.032 7.066 ( -2.867 0.000 2.042) 3.520 7.135 ( -3.473 0.000 1.674) 3.855 7.149 ( 0.114 0.000 1.270) 1.276 7.152 ( 0.002 0.000 1.265) 1.265 7.322 ( 3.061 0.000 2.894) 4.213 7.433 ( 2.072 0.000 6.573) 6.892 7.553 ( 4.426 0.000 -1.426) 4.650 7.871 ( -3.912 0.000 -2.664) 4.733 8.048 ( 6.810 0.000 4.513) 8.169 8.364 ( -6.428 0.000 -6.372) 9.051 9.866 ( 0.424 0.000 1.267) 1.336 9.898 ( -1.310 0.000 0.680) 1.476 9.953 ( 1.536 0.000 -0.489) 1.611 9.954 ( 1.617 0.000 3.796) 4.126 9.995 ( -0.668 0.000 -1.539) 1.677 10.016 ( -0.454 0.000 3.726) 3.754 10.170 ( 1.832 0.000 -0.688) 1.957 10.210 ( 0.115 0.000 0.938) 0.945 10.243 ( 0.917 0.000 0.212) 0.941 10.275 ( 0.831 0.000 -2.157) 2.311 10.311 ( -0.609 0.000 -1.654) 1.763 10.396 ( -3.823 0.000 -8.264) 9.106 11.017 ( 2.210 0.000 1.947) 2.946 11.053 ( 0.807 0.000 -0.027) 0.808 11.351 ( 0.474 0.000 3.810) 3.839 11.465 ( -4.244 0.000 -2.351) 4.851 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -3.047 0.000 0.218) 3.055 1.101 ( 3.047 0.000 0.218) 3.055 1.460 ( -1.918 0.000 -6.089) 6.384 1.460 ( 1.918 0.000 -6.089) 6.384 1.511 ( -1.849 0.000 3.506) 3.963 1.511 ( 1.849 0.000 3.506) 3.963 1.665 ( -5.734 0.000 5.658) 8.056 1.665 ( 5.734 0.000 5.658) 8.056 1.832 ( -11.275 0.000 6.607) 13.068 1.832 ( 11.275 0.000 6.607) 13.068 2.341 ( -7.766 0.000 -6.543) 10.155 2.341 ( 7.766 0.000 -6.543) 10.155 2.411 ( -4.516 0.000 -8.733) 9.832 2.411 ( 4.516 0.000 -8.733) 9.832 2.430 ( -8.601 0.000 -7.534) 11.434 2.430 ( 8.601 0.000 -7.534) 11.434 2.742 ( -2.205 0.000 10.568) 10.795 2.742 ( 2.205 0.000 10.568) 10.795 3.168 ( -9.562 0.000 14.485) 17.356 3.168 ( 9.562 0.000 14.485) 17.356 3.376 ( -5.325 0.000 5.034) 7.327 3.376 ( 5.325 0.000 5.034) 7.327 3.794 ( -11.746 0.000 -10.825) 15.974 3.794 ( 11.746 0.000 -10.825) 15.974 3.866 ( -2.706 0.000 10.214) 10.566 3.866 ( 2.706 0.000 10.214) 10.566 4.384 ( -10.755 0.000 5.286) 11.984 4.384 ( 10.755 0.000 5.286) 11.984 4.584 ( -9.016 0.000 5.668) 10.650 4.584 ( 9.016 0.000 5.668) 10.650 4.731 ( -4.118 0.000 -6.529) 7.719 4.731 ( 4.118 0.000 -6.529) 7.719 4.746 ( -8.515 0.000 -5.272) 10.015 4.746 ( 8.515 0.000 -5.272) 10.015 5.104 ( -8.197 0.000 -13.843) 16.087 5.104 ( 8.197 0.000 -13.843) 16.087 5.162 ( -1.544 0.000 2.952) 3.331 5.162 ( 1.544 0.000 2.952) 3.331 5.531 ( -4.947 0.000 2.669) 5.621 5.531 ( 4.947 0.000 2.669) 5.621 5.706 ( -3.775 0.000 0.046) 3.775 5.706 ( 3.775 0.000 0.046) 3.775 5.995 ( -5.904 0.000 -5.766) 8.252 5.995 ( 5.904 0.000 -5.766) 8.252 6.049 ( -13.339 0.000 -3.749) 13.855 6.049 ( 13.339 0.000 -3.749) 13.855 6.367 ( -2.311 0.000 -4.055) 4.667 6.367 ( 2.311 0.000 -4.055) 4.667 6.373 ( -2.823 0.000 1.085) 3.025 6.373 ( 2.823 0.000 1.085) 3.025 6.477 ( -1.666 0.000 -1.910) 2.534 6.477 ( 1.666 0.000 -1.910) 2.534 6.646 ( -3.367 0.000 -1.230) 3.585 6.646 ( 3.367 0.000 -1.230) 3.585 6.919 ( -1.649 0.000 0.391) 1.694 6.919 ( 1.649 0.000 0.391) 1.694 6.939 ( -0.343 0.000 1.916) 1.946 6.939 ( 0.343 0.000 1.916) 1.946 7.063 ( -3.279 0.000 1.592) 3.645 7.063 ( 3.279 0.000 1.592) 3.645 7.151 ( -0.090 0.000 1.236) 1.239 7.151 ( 0.090 0.000 1.236) 1.239 7.388 ( -3.829 0.000 2.206) 4.419 7.388 ( 3.829 0.000 2.206) 4.419 7.727 ( -10.535 0.000 4.040) 11.283 7.727 ( 10.535 0.000 4.040) 11.283 8.213 ( -9.634 0.000 -3.679) 10.313 8.213 ( 9.634 0.000 -3.679) 10.313 9.878 ( -0.883 0.000 1.039) 1.364 9.878 ( 0.883 0.000 1.039) 1.364 9.978 ( -1.214 0.000 -1.082) 1.626 9.978 ( 1.214 0.000 -1.082) 1.626 9.990 ( -2.078 0.000 4.351) 4.822 9.990 ( 2.078 0.000 4.351) 4.822 10.201 ( -1.168 0.000 0.597) 1.312 10.201 ( 1.168 0.000 0.597) 1.312 10.279 ( -1.660 0.000 -3.846) 4.189 10.279 ( 1.660 0.000 -3.846) 4.189 10.320 ( -3.210 0.000 -3.433) 4.700 10.320 ( 3.210 0.000 -3.433) 4.700 11.053 ( -1.165 0.000 0.995) 1.532 11.053 ( 1.165 0.000 0.995) 1.532 11.386 ( -3.629 0.000 0.946) 3.750 11.386 ( 3.629 0.000 0.946) 3.750 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 18.904 0.584) 18.913 1.396 ( 0.000 2.102 13.943) 14.101 1.401 ( 0.000 15.811 5.308) 16.679 1.536 ( 0.000 7.957 -3.472) 8.681 1.580 ( 0.000 3.045 4.897) 5.766 1.588 ( 0.000 8.645 3.666) 9.390 1.649 ( 0.000 5.391 -0.121) 5.393 1.685 ( 0.000 5.416 2.821) 6.107 1.793 ( 0.000 2.569 1.102) 2.795 2.055 ( 0.000 -2.892 2.548) 3.855 2.151 ( 0.000 -1.522 0.023) 1.522 2.255 ( 0.000 2.981 -15.483) 15.767 2.309 ( 0.000 7.077 -5.135) 8.744 2.470 ( 0.000 -0.421 -14.751) 14.757 2.483 ( 0.000 -4.418 1.982) 4.842 2.661 ( 0.000 -0.282 7.596) 7.602 2.688 ( 0.000 -1.330 11.535) 11.611 2.750 ( 0.000 4.859 -14.915) 15.687 3.004 ( 0.000 -0.713 4.902) 4.954 3.256 ( 0.000 -11.065 11.050) 15.637 3.363 ( 0.000 -7.784 -12.658) 14.860 3.400 ( 0.000 -4.095 16.203) 16.712 3.704 ( 0.000 -16.541 -5.637) 17.476 3.713 ( 0.000 2.819 5.068) 5.799 4.011 ( 0.000 -0.492 -5.865) 5.886 4.154 ( 0.000 0.248 16.434) 16.436 4.198 ( 0.000 1.200 -2.307) 2.601 4.252 ( 0.000 11.698 10.393) 15.648 4.379 ( 0.000 -3.921 -3.770) 5.439 4.572 ( 0.000 10.135 7.744) 12.756 4.621 ( 0.000 1.411 -8.021) 8.144 4.864 ( 0.000 4.030 7.385) 8.413 4.869 ( 0.000 2.273 -6.595) 6.976 4.931 ( 0.000 1.778 -3.740) 4.141 4.972 ( 0.000 -1.477 -8.172) 8.305 5.036 ( 0.000 -7.594 -5.794) 9.552 5.206 ( 0.000 0.676 1.801) 1.923 5.346 ( 0.000 -3.489 -1.105) 3.660 5.437 ( 0.000 0.798 1.695) 1.874 5.542 ( 0.000 1.597 -7.646) 7.811 5.716 ( 0.000 -0.486 -1.067) 1.173 5.725 ( 0.000 8.116 0.855) 8.161 5.824 ( 0.000 7.494 -1.987) 7.753 5.891 ( 0.000 -1.705 -1.248) 2.113 5.988 ( 0.000 -3.226 -2.024) 3.808 6.260 ( 0.000 -1.347 -9.667) 9.761 6.283 ( 0.000 -0.756 5.048) 5.104 6.329 ( 0.000 -3.015 -0.374) 3.038 6.415 ( 0.000 -2.736 -5.165) 5.845 6.438 ( 0.000 -0.948 -0.551) 1.097 6.470 ( 0.000 -2.142 1.878) 2.849 6.554 ( 0.000 1.956 -4.621) 5.018 6.631 ( 0.000 0.938 -0.024) 0.938 6.668 ( 0.000 -0.430 -1.795) 1.846 6.878 ( 0.000 -1.607 1.315) 2.076 6.895 ( 0.000 -4.399 1.565) 4.669 6.902 ( 0.000 -2.729 4.501) 5.264 6.941 ( 0.000 1.403 1.293) 1.908 7.079 ( 0.000 -0.160 -3.025) 3.030 7.086 ( 0.000 -3.198 0.949) 3.336 7.228 ( 0.000 3.855 3.256) 5.046 7.265 ( 0.000 5.736 2.629) 6.310 7.336 ( 0.000 5.604 2.861) 6.292 7.346 ( 0.000 -0.272 5.136) 5.143 7.562 ( 0.000 0.244 -5.022) 5.027 7.844 ( 0.000 -2.796 -11.389) 11.728 7.938 ( 0.000 -5.580 12.967) 14.116 8.315 ( 0.000 -9.465 -6.209) 11.320 9.903 ( 0.000 1.013 2.540) 2.735 9.926 ( 0.000 2.579 1.243) 2.863 9.936 ( 0.000 -0.018 0.370) 0.371 10.009 ( 0.000 3.122 -2.612) 4.071 10.019 ( 0.000 6.760 0.571) 6.784 10.061 ( 0.000 2.451 3.632) 4.382 10.150 ( 0.000 -0.330 -0.997) 1.051 10.208 ( 0.000 0.102 0.926) 0.931 10.245 ( 0.000 0.651 1.471) 1.608 10.280 ( 0.000 1.429 -2.368) 2.765 10.310 ( 0.000 -0.678 -1.288) 1.456 10.414 ( 0.000 -1.731 -9.451) 9.608 10.998 ( 0.000 0.481 2.219) 2.271 11.037 ( 0.000 -0.374 -0.074) 0.381 11.312 ( 0.000 -3.466 4.366) 5.574 11.440 ( 0.000 -6.157 -2.350) 6.590 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.761 19.030 2.223) 19.174 1.393 ( -1.186 15.327 1.250) 15.424 1.437 ( 3.738 1.541 11.425) 12.120 1.517 ( -1.176 6.368 2.559) 6.963 1.556 ( -2.253 4.128 -4.294) 6.368 1.560 ( -3.478 2.583 1.747) 4.671 1.647 ( 1.119 5.957 -0.126) 6.063 1.730 ( 2.794 4.875 1.848) 5.915 1.770 ( -0.045 4.628 6.436) 7.927 2.016 ( -7.147 -0.910 6.266) 9.548 2.184 ( 6.929 -0.943 -0.879) 7.048 2.272 ( 2.339 1.602 -9.845) 10.245 2.385 ( 5.918 5.529 -8.797) 11.958 2.424 ( -3.240 -1.031 -10.883) 11.402 2.500 ( -1.814 -1.598 -2.534) 3.502 2.583 ( -5.262 0.647 -3.716) 6.474 2.714 ( 2.871 0.629 12.062) 12.415 2.798 ( 1.970 3.579 -3.450) 5.347 3.005 ( 1.079 -1.854 5.940) 6.315 3.197 ( -5.498 -9.571 9.620) 14.642 3.344 ( -2.298 -4.750 8.496) 10.001 3.408 ( 1.293 -8.105 -8.791) 12.027 3.602 ( -5.548 0.942 4.599) 7.267 3.708 ( -2.158 -14.084 -3.048) 14.571 3.999 ( -2.081 5.167 3.567) 6.614 4.102 ( -5.754 3.840 6.447) 9.456 4.246 ( 7.948 2.702 2.283) 8.699 4.350 ( 8.640 1.503 2.575) 9.140 4.472 ( 7.838 0.629 1.775) 8.061 4.622 ( 2.211 2.967 3.298) 4.957 4.650 ( 1.221 2.160 -4.333) 4.993 4.775 ( -7.693 2.805 5.664) 9.957 4.855 ( -4.012 1.125 -2.318) 4.768 4.878 ( 0.885 1.876 -6.192) 6.530 4.978 ( -0.870 -1.880 -7.387) 7.672 4.999 ( -3.350 -3.814 -6.078) 7.919 5.224 ( 3.279 0.340 3.253) 4.632 5.409 ( -2.799 3.258 -0.417) 4.316 5.420 ( 4.204 -4.259 -1.661) 6.210 5.509 ( -3.008 3.286 -7.203) 8.469 5.735 ( 5.041 -1.506 -0.431) 5.278 5.785 ( 1.966 5.914 0.680) 6.269 5.858 ( -2.517 -1.384 0.107) 2.875 5.893 ( 7.305 6.946 -0.495) 10.092 5.990 ( -0.133 -2.955 -4.789) 5.629 6.219 ( -3.615 0.114 -7.018) 7.895 6.307 ( -0.875 -4.477 1.734) 4.880 6.342 ( 3.160 0.375 1.560) 3.544 6.387 ( -2.726 -1.896 1.917) 3.834 6.431 ( 1.002 -3.574 -4.270) 5.657 6.477 ( -0.215 1.247 -2.124) 2.473 6.535 ( -2.770 2.201 -4.893) 6.039 6.586 ( -3.200 -1.377 -0.055) 3.484 6.619 ( -4.263 -1.915 -2.980) 5.542 6.868 ( 0.365 -3.581 2.685) 4.491 6.893 ( -0.363 -4.528 3.751) 5.891 6.944 ( 1.452 0.917 1.854) 2.527 6.949 ( 2.469 -2.105 -0.197) 3.251 7.043 ( -2.690 1.156 -0.994) 3.092 7.071 ( -1.906 -2.110 -0.121) 2.846 7.227 ( 0.537 4.966 2.163) 5.443 7.266 ( -0.742 6.279 -0.004) 6.323 7.355 ( 2.884 4.322 2.783) 5.895 7.437 ( 4.123 0.353 6.821) 7.978 7.551 ( 2.778 0.407 -2.656) 3.865 7.856 ( -4.810 -1.382 -0.373) 5.018 7.957 ( 6.907 -8.006 1.641) 10.700 8.259 ( -5.960 -9.102 -5.698) 12.281 9.907 ( 0.374 1.672 2.449) 2.989 9.921 ( -0.358 1.699 1.247) 2.138 9.952 ( 1.631 1.119 1.056) 2.242 10.012 ( -0.293 3.672 -2.445) 4.421 10.015 ( 0.029 4.422 1.154) 4.570 10.049 ( -1.321 1.921 3.858) 4.508 10.181 ( 2.875 0.972 -2.706) 4.066 10.213 ( 0.498 0.161 0.829) 0.980 10.245 ( 0.344 0.414 0.478) 0.720 10.284 ( 0.361 1.008 -2.345) 2.578 10.306 ( -0.357 -0.411 -1.493) 1.589 10.380 ( -3.486 -1.366 -8.360) 9.160 11.018 ( 1.923 0.210 1.876) 2.694 11.047 ( 0.799 -0.381 0.232) 0.915 11.311 ( 0.241 -3.634 3.599) 5.120 11.404 ( -3.527 -5.538 -1.221) 6.678 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.550 18.561 1.913) 18.833 1.354 ( 2.550 18.561 1.913) 18.833 1.496 ( -2.268 -0.368 3.668) 4.329 1.496 ( 2.268 -0.368 3.668) 4.329 1.521 ( -2.049 4.154 -3.489) 5.799 1.521 ( 2.049 4.154 -3.489) 5.799 1.696 ( -3.858 4.212 2.726) 6.329 1.696 ( 3.858 4.212 2.726) 6.329 1.867 ( -7.858 3.373 8.441) 12.015 1.867 ( 7.858 3.373 8.441) 12.015 2.308 ( -2.948 -1.080 -7.106) 7.769 2.308 ( 2.948 -1.080 -7.106) 7.769 2.395 ( -4.386 0.445 -2.612) 5.124 2.395 ( 4.386 0.445 -2.612) 5.124 2.499 ( -4.551 2.941 -9.355) 10.811 2.499 ( 4.551 2.941 -9.355) 10.811 2.778 ( -3.371 3.252 6.769) 8.231 2.778 ( 3.371 3.252 6.769) 8.231 3.079 ( -6.551 -6.323 6.787) 11.356 3.079 ( 6.551 -6.323 6.787) 11.356 3.362 ( -3.607 -3.869 2.094) 5.689 3.362 ( 3.607 -3.869 2.094) 5.689 3.625 ( -5.288 -8.175 -1.021) 9.789 3.625 ( 5.288 -8.175 -1.021) 9.789 4.006 ( -3.564 5.721 3.304) 7.507 4.006 ( 3.564 5.721 3.304) 7.507 4.413 ( -6.552 2.792 4.080) 8.208 4.413 ( 6.552 2.792 4.080) 8.208 4.602 ( -4.728 -1.822 1.603) 5.314 4.602 ( 4.728 -1.822 1.603) 5.314 4.634 ( -4.322 2.208 1.450) 5.066 4.634 ( 4.322 2.208 1.450) 5.066 4.889 ( -2.650 1.760 -3.704) 4.883 4.889 ( 2.650 1.760 -3.704) 4.883 4.946 ( -0.825 -2.508 -7.816) 8.250 4.946 ( 0.825 -2.508 -7.816) 8.250 5.318 ( -6.202 0.825 2.034) 6.579 5.318 ( 6.202 0.825 2.034) 6.579 5.469 ( -1.618 2.140 -4.655) 5.373 5.469 ( 1.618 2.140 -4.655) 5.373 5.803 ( -1.950 2.138 0.324) 2.912 5.803 ( 1.950 2.138 0.324) 2.912 5.882 ( -6.378 -2.225 0.283) 6.761 5.882 ( 6.378 -2.225 0.283) 6.761 6.101 ( -9.060 2.851 -6.125) 11.302 6.101 ( 9.060 2.851 -6.125) 11.302 6.324 ( -2.600 -3.176 1.749) 4.461 6.324 ( 2.600 -3.176 1.749) 4.461 6.416 ( -2.880 0.100 -0.155) 2.886 6.416 ( 2.880 0.100 -0.155) 2.886 6.483 ( -1.663 1.241 -5.050) 5.460 6.483 ( 1.663 1.241 -5.050) 5.460 6.565 ( -1.204 -3.712 -2.091) 4.427 6.565 ( 1.204 -3.712 -2.091) 4.427 6.882 ( -0.843 -4.037 3.070) 5.141 6.882 ( 0.843 -4.037 3.070) 5.141 6.972 ( -1.541 -2.794 1.279) 3.438 6.972 ( 1.541 -2.794 1.279) 3.438 7.027 ( -2.171 1.872 -0.899) 3.004 7.027 ( 2.171 1.872 -0.899) 3.004 7.245 ( -1.296 6.047 0.351) 6.194 7.245 ( 1.296 6.047 0.351) 6.194 7.416 ( -3.309 3.272 2.367) 5.221 7.416 ( 3.309 3.272 2.367) 5.221 7.707 ( -10.289 -1.811 4.493) 11.372 7.707 ( 10.289 -1.811 4.493) 11.372 8.117 ( -9.107 -8.322 -4.544) 13.147 8.117 ( 9.107 -8.322 -4.544) 13.147 9.914 ( -0.421 2.031 1.951) 2.847 9.914 ( 0.421 2.031 1.951) 2.847 9.989 ( -2.012 2.003 0.745) 2.936 9.989 ( 2.012 2.003 0.745) 2.936 10.025 ( -0.920 2.832 1.470) 3.321 10.025 ( 0.920 2.832 1.470) 3.321 10.215 ( -0.622 1.156 0.415) 1.377 10.215 ( 0.622 1.156 0.415) 1.377 10.278 ( -2.121 0.016 -4.901) 5.340 10.278 ( 2.121 0.016 -4.901) 5.340 10.313 ( -2.386 -0.432 -2.980) 3.842 10.313 ( 2.386 -0.432 -2.980) 3.842 11.049 ( -0.973 -0.214 1.102) 1.486 11.049 ( 0.973 -0.214 1.102) 1.486 11.338 ( -2.952 -4.367 1.308) 5.431 11.338 ( 2.952 -4.367 1.308) 5.431 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 5.667 10.010) 11.503 1.579 ( 0.000 3.692 3.013) 4.766 1.595 ( 0.000 5.904 0.969) 5.983 1.644 ( 0.000 3.483 -1.363) 3.740 1.724 ( 0.000 6.639 12.413) 14.077 1.766 ( 0.000 7.072 6.157) 9.377 1.831 ( 0.000 3.465 3.475) 4.907 1.864 ( 0.000 5.209 -3.455) 6.250 1.904 ( 0.000 12.993 2.206) 13.179 1.991 ( 0.000 1.033 10.751) 10.800 2.066 ( 0.000 -4.562 -3.595) 5.808 2.352 ( 0.000 4.825 -11.990) 12.924 2.455 ( 0.000 1.221 4.400) 4.566 2.459 ( 0.000 1.586 -6.523) 6.713 2.513 ( 0.000 6.155 -6.797) 9.170 2.631 ( 0.000 -4.021 -0.959) 4.133 2.688 ( 0.000 5.343 -3.182) 6.219 2.842 ( 0.000 3.590 -15.174) 15.593 3.030 ( 0.000 0.560 7.567) 7.588 3.098 ( 0.000 1.903 -0.257) 1.921 3.195 ( 0.000 -8.053 -11.539) 14.072 3.260 ( 0.000 -7.276 11.531) 13.634 3.348 ( 0.000 -16.561 -6.646) 17.845 3.792 ( 0.000 5.305 2.748) 5.974 3.849 ( 0.000 -15.430 -11.128) 19.024 4.114 ( 0.000 -7.679 -0.619) 7.704 4.249 ( 0.000 9.422 12.541) 15.686 4.413 ( 0.000 6.163 6.842) 9.209 4.516 ( 0.000 10.516 7.991) 13.207 4.662 ( 0.000 2.184 -5.371) 5.798 4.749 ( 0.000 4.456 8.280) 9.403 4.807 ( 0.000 -10.992 0.303) 10.997 4.857 ( 0.000 -2.038 0.697) 2.154 4.897 ( 0.000 0.047 -6.114) 6.114 5.007 ( 0.000 0.566 -0.302) 0.642 5.042 ( 0.000 5.464 -0.915) 5.540 5.181 ( 0.000 1.487 0.244) 1.507 5.254 ( 0.000 -0.908 0.178) 0.925 5.369 ( 0.000 -10.023 -4.082) 10.823 5.516 ( 0.000 -6.987 -4.372) 8.242 5.771 ( 0.000 9.318 3.596) 9.988 5.893 ( 0.000 7.532 0.580) 7.554 5.964 ( 0.000 6.673 0.573) 6.697 6.006 ( 0.000 7.949 -3.843) 8.829 6.046 ( 0.000 7.625 1.747) 7.822 6.191 ( 0.000 -5.215 -2.937) 5.985 6.213 ( 0.000 -1.523 -0.905) 1.772 6.323 ( 0.000 0.290 1.785) 1.808 6.380 ( 0.000 -0.716 -8.054) 8.085 6.425 ( 0.000 -0.724 0.454) 0.854 6.442 ( 0.000 0.278 1.508) 1.534 6.562 ( 0.000 -0.788 -3.791) 3.872 6.612 ( 0.000 -2.050 1.031) 2.294 6.646 ( 0.000 -3.444 0.014) 3.444 6.737 ( 0.000 -8.636 4.286) 9.641 6.750 ( 0.000 -9.442 0.228) 9.444 6.908 ( 0.000 0.651 -0.037) 0.652 6.951 ( 0.000 1.593 0.192) 1.605 7.015 ( 0.000 -4.169 1.439) 4.410 7.068 ( 0.000 -1.535 -2.542) 2.969 7.282 ( 0.000 1.909 5.302) 5.635 7.323 ( 0.000 -0.593 6.594) 6.621 7.407 ( 0.000 6.500 -0.030) 6.500 7.495 ( 0.000 7.876 -3.526) 8.630 7.592 ( 0.000 2.223 -5.734) 6.150 7.714 ( 0.000 -8.373 0.173) 8.375 7.876 ( 0.000 -0.255 -0.646) 0.695 8.101 ( 0.000 -10.296 -4.896) 11.401 9.918 ( 0.000 0.901 1.835) 2.045 9.934 ( 0.000 0.043 0.857) 0.858 9.980 ( 0.000 2.107 3.490) 4.076 10.054 ( 0.000 -0.791 5.666) 5.721 10.116 ( 0.000 3.087 -2.977) 4.288 10.152 ( 0.000 3.397 -3.861) 5.143 10.165 ( 0.000 2.729 -2.305) 3.572 10.226 ( 0.000 2.722 1.179) 2.966 10.269 ( 0.000 1.628 -0.195) 1.640 10.290 ( 0.000 -1.119 -1.058) 1.540 10.318 ( 0.000 1.740 -3.326) 3.753 10.372 ( 0.000 -2.197 -8.324) 8.609 11.020 ( 0.000 1.751 1.810) 2.519 11.036 ( 0.000 0.495 0.766) 0.912 11.225 ( 0.000 -4.385 3.395) 5.545 11.292 ( 0.000 -7.407 0.167) 7.409 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.662 2.091 4.959) 5.422 1.520 ( -4.098 2.235 0.552) 4.701 1.565 ( -6.368 0.436 1.167) 6.489 1.607 ( -1.974 2.380 -2.412) 3.922 1.696 ( -0.546 10.191 10.796) 14.856 1.765 ( -1.323 6.810 5.044) 8.578 1.803 ( -0.013 3.489 4.647) 5.811 1.860 ( -0.782 11.298 3.251) 11.783 1.967 ( 2.512 8.845 4.806) 10.375 2.002 ( -0.109 4.285 10.140) 11.008 2.128 ( 8.194 -3.793 -0.993) 9.084 2.354 ( -0.756 2.568 -7.020) 7.513 2.442 ( -0.746 2.811 -3.808) 4.791 2.473 ( 0.272 1.019 1.811) 2.095 2.531 ( 1.571 5.497 -8.619) 10.342 2.580 ( -3.284 0.072 -8.794) 9.388 2.754 ( 5.480 3.928 1.567) 6.923 2.871 ( 2.499 2.927 -11.930) 12.536 3.008 ( -3.479 1.002 3.221) 4.845 3.043 ( -5.010 -0.849 -1.489) 5.295 3.179 ( 1.605 -7.458 -4.594) 8.906 3.251 ( -0.501 -8.699 -4.873) 9.983 3.396 ( 2.761 -13.605 -0.803) 13.906 3.596 ( -10.208 -5.226 -1.979) 11.637 4.029 ( 6.652 -1.506 -2.568) 7.288 4.145 ( 1.447 0.688 4.828) 5.087 4.257 ( 5.118 2.889 9.952) 11.558 4.457 ( 4.393 6.620 5.387) 9.599 4.551 ( 2.488 4.402 6.522) 8.252 4.660 ( -0.767 0.239 -4.064) 4.143 4.720 ( -5.841 -4.096 4.465) 8.417 4.765 ( -1.805 3.744 5.409) 6.821 4.861 ( -0.282 0.604 -1.986) 2.095 4.887 ( -0.364 -1.941 -5.770) 6.098 4.953 ( -2.684 0.449 -1.828) 3.278 5.004 ( -3.726 0.585 -2.249) 4.392 5.207 ( 2.961 1.838 2.581) 4.337 5.279 ( 0.615 -3.690 3.560) 5.164 5.423 ( 4.562 -6.374 -6.859) 10.415 5.508 ( -0.707 -6.266 -5.719) 8.513 5.776 ( 1.057 8.979 3.767) 9.795 5.895 ( -1.716 7.407 1.110) 7.684 5.948 ( 0.612 7.850 2.138) 8.159 6.043 ( -0.254 5.704 1.183) 5.831 6.084 ( 6.801 9.000 -4.621) 12.191 6.161 ( -0.680 -5.749 -3.137) 6.584 6.246 ( 0.766 -1.136 1.090) 1.750 6.304 ( -3.615 -3.159 1.991) 5.198 6.329 ( -2.226 -0.630 -1.176) 2.595 6.397 ( 0.171 -1.653 -2.060) 2.646 6.506 ( 2.195 1.432 -2.139) 3.383 6.537 ( -2.737 -2.215 -2.567) 4.357 6.548 ( -5.226 -2.383 -1.498) 5.936 6.615 ( -2.301 -0.073 -3.003) 3.784 6.741 ( 1.828 -7.085 2.699) 7.799 6.781 ( 0.949 -6.635 0.897) 6.762 6.896 ( -0.439 -0.636 0.905) 1.190 6.938 ( -1.449 -0.403 -0.335) 1.541 7.017 ( 0.176 -3.898 1.078) 4.048 7.040 ( -1.847 -2.321 -1.306) 3.241 7.311 ( 2.677 3.309 4.065) 5.886 7.391 ( -1.376 6.362 0.759) 6.554 7.410 ( 7.030 -1.516 7.633) 10.487 7.507 ( 0.554 6.412 -1.959) 6.728 7.598 ( 1.472 3.748 -5.145) 6.534 7.758 ( 2.353 -8.446 5.328) 10.260 7.843 ( -1.449 -0.853 -6.870) 7.073 8.052 ( -5.167 -9.933 -5.147) 12.322 9.929 ( 1.000 1.061 2.177) 2.620 9.943 ( 0.717 0.718 1.792) 2.059 9.982 ( 0.509 1.177 3.041) 3.300 10.043 ( -1.410 -1.182 5.207) 5.523 10.106 ( -0.201 4.311 -3.165) 5.352 10.139 ( -1.235 5.070 -1.859) 5.540 10.191 ( 2.172 -0.488 -3.179) 3.881 10.235 ( 0.473 1.928 0.229) 1.999 10.266 ( 0.200 1.545 -1.024) 1.864 10.298 ( 0.600 -0.055 -1.857) 1.953 10.314 ( -0.407 1.487 -3.204) 3.556 10.350 ( -2.183 -1.346 -7.360) 7.794 11.035 ( 1.435 1.587 1.730) 2.751 11.049 ( 1.069 0.793 0.936) 1.627 11.219 ( -0.449 -4.840 3.007) 5.716 11.268 ( -2.308 -6.937 0.612) 7.336 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -3.163 0.178 0.411) 3.195 1.464 ( 3.163 0.178 0.411) 3.195 1.525 ( -4.537 -1.210 -1.811) 5.032 1.525 ( 4.537 -1.210 -1.811) 5.032 1.730 ( -2.595 10.983 8.214) 13.958 1.730 ( 2.595 10.983 8.214) 13.958 1.823 ( -1.906 5.325 6.573) 8.672 1.823 ( 1.906 5.325 6.573) 8.672 1.996 ( -1.082 9.212 7.427) 11.883 1.996 ( 1.082 9.212 7.427) 11.883 2.287 ( -7.244 -2.926 0.932) 7.868 2.287 ( 7.244 -2.926 0.932) 7.868 2.449 ( -1.767 4.733 -3.679) 6.250 2.449 ( 1.767 4.733 -3.679) 6.250 2.548 ( -0.518 2.533 -9.024) 9.387 2.548 ( 0.518 2.533 -9.024) 9.387 2.861 ( -5.160 5.142 -2.493) 7.699 2.861 ( 5.160 5.142 -2.493) 7.699 2.974 ( -2.268 -2.863 -3.680) 5.186 2.974 ( 2.268 -2.863 -3.680) 5.186 3.228 ( -2.403 -6.922 -6.782) 9.985 3.228 ( 2.403 -6.922 -6.782) 9.985 3.456 ( -5.062 -9.853 -0.277) 11.081 3.456 ( 5.062 -9.853 -0.277) 11.081 4.106 ( -3.547 5.815 5.320) 8.643 4.106 ( 3.547 5.815 5.320) 8.643 4.444 ( -10.187 -2.489 5.614) 11.894 4.444 ( 10.187 -2.489 5.614) 11.894 4.591 ( -4.429 1.362 4.303) 6.323 4.591 ( 4.429 1.362 4.303) 6.323 4.702 ( -3.367 3.410 0.462) 4.814 4.702 ( 3.367 3.410 0.462) 4.814 4.875 ( -1.466 0.879 -3.559) 3.948 4.875 ( 1.466 0.879 -3.559) 3.948 4.948 ( -2.028 -1.890 -2.497) 3.731 4.948 ( 2.028 -1.890 -2.497) 3.731 5.261 ( -2.423 -1.177 3.815) 4.670 5.261 ( 2.423 -1.177 3.815) 4.670 5.487 ( -2.161 -5.571 -6.732) 9.001 5.487 ( 2.161 -5.571 -6.732) 9.001 5.825 ( -4.218 7.680 3.249) 9.345 5.825 ( 4.218 7.680 3.249) 9.345 6.002 ( -3.762 7.578 1.142) 8.537 6.002 ( 3.762 7.578 1.142) 8.537 6.181 ( -3.695 1.023 -1.907) 4.282 6.181 ( 3.695 1.023 -1.907) 4.282 6.239 ( -6.079 -0.044 -1.810) 6.343 6.239 ( 6.079 -0.044 -1.810) 6.343 6.352 ( -3.813 -5.477 2.201) 7.027 6.352 ( 3.813 -5.477 2.201) 7.027 6.486 ( -1.063 -2.675 -2.997) 4.155 6.486 ( 1.063 -2.675 -2.997) 4.155 6.570 ( -2.945 3.334 -4.522) 6.343 6.570 ( 2.945 3.334 -4.522) 6.343 6.775 ( -1.431 -5.688 1.158) 5.979 6.775 ( 1.431 -5.688 1.158) 5.979 6.907 ( -1.535 -1.701 0.543) 2.354 6.907 ( 1.535 -1.701 0.543) 2.354 7.021 ( -0.395 -3.328 0.142) 3.355 7.021 ( 0.395 -3.328 0.142) 3.355 7.358 ( -2.266 5.126 2.075) 5.977 7.358 ( 2.266 5.126 2.075) 5.977 7.497 ( -2.030 1.972 2.896) 4.050 7.497 ( 2.030 1.972 2.896) 4.050 7.681 ( -7.082 1.108 1.625) 7.350 7.681 ( 7.082 1.108 1.625) 7.350 7.931 ( -7.545 -8.727 -6.627) 13.304 7.931 ( 7.545 -8.727 -6.627) 13.304 9.945 ( -0.556 1.483 2.713) 3.141 9.945 ( 0.556 1.483 2.713) 3.141 10.008 ( -2.104 -0.527 3.248) 3.905 10.008 ( 2.104 -0.527 3.248) 3.905 10.116 ( -1.105 4.854 -1.999) 5.365 10.116 ( 1.105 4.854 -1.999) 5.365 10.225 ( -1.370 -0.676 -0.751) 1.702 10.225 ( 1.370 -0.676 -0.751) 1.702 10.292 ( -2.022 1.490 -5.578) 6.117 10.292 ( 2.022 1.490 -5.578) 6.117 10.314 ( -0.984 0.481 -2.326) 2.571 10.314 ( 0.984 0.481 -2.326) 2.571 11.057 ( -0.546 1.370 1.430) 2.054 11.057 ( 0.546 1.370 1.430) 2.054 11.227 ( -1.656 -5.993 1.787) 6.470 11.227 ( 1.656 -5.993 1.787) 6.470 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 -4.235 9.262) 10.185 1.585 ( 0.000 4.235 9.262) 10.185 1.658 ( 0.000 -0.883 -3.137) 3.259 1.658 ( 0.000 0.883 -3.137) 3.259 1.825 ( 0.000 -2.599 10.778) 11.087 1.825 ( 0.000 2.599 10.778) 11.087 1.875 ( 0.000 -2.122 8.018) 8.294 1.875 ( 0.000 2.122 8.018) 8.294 1.955 ( 0.000 -4.413 -6.434) 7.802 1.955 ( 0.000 4.413 -6.434) 7.802 2.286 ( 0.000 -11.721 0.330) 11.725 2.286 ( 0.000 11.721 0.330) 11.725 2.484 ( 0.000 -0.248 1.483) 1.503 2.484 ( 0.000 0.248 1.483) 1.503 2.560 ( 0.000 -2.089 -4.499) 4.960 2.560 ( 0.000 2.089 -4.499) 4.960 2.857 ( 0.000 -5.378 -12.978) 14.048 2.857 ( 0.000 5.378 -12.978) 14.048 3.044 ( 0.000 -5.063 -1.114) 5.184 3.044 ( 0.000 5.063 -1.114) 5.184 3.123 ( 0.000 -3.057 -3.632) 4.748 3.123 ( 0.000 3.057 -3.632) 4.748 3.454 ( 0.000 -20.817 -6.712) 21.873 3.454 ( 0.000 20.817 -6.712) 21.873 3.938 ( 0.000 -8.597 0.625) 8.620 3.938 ( 0.000 8.597 0.625) 8.620 4.474 ( 0.000 -9.235 10.912) 14.296 4.474 ( 0.000 9.235 10.912) 14.296 4.629 ( 0.000 -3.247 4.943) 5.914 4.629 ( 0.000 3.247 4.943) 5.914 4.676 ( 0.000 -1.529 2.669) 3.076 4.676 ( 0.000 1.529 2.669) 3.076 4.901 ( 0.000 -0.938 -2.670) 2.830 4.901 ( 0.000 0.938 -2.670) 2.830 5.064 ( 0.000 -4.790 -7.266) 8.702 5.064 ( 0.000 4.790 -7.266) 8.702 5.240 ( 0.000 -0.851 2.244) 2.400 5.240 ( 0.000 0.851 2.244) 2.400 5.320 ( 0.000 -10.137 0.936) 10.180 5.320 ( 0.000 10.137 0.936) 10.180 5.961 ( 0.000 -5.933 2.994) 6.645 5.961 ( 0.000 5.933 2.994) 6.645 6.060 ( 0.000 -3.815 1.976) 4.296 6.060 ( 0.000 3.815 1.976) 4.296 6.104 ( 0.000 -2.691 -1.589) 3.125 6.104 ( 0.000 2.691 -1.589) 3.125 6.321 ( 0.000 -7.329 -7.602) 10.560 6.321 ( 0.000 7.329 -7.602) 10.560 6.385 ( 0.000 -3.867 1.235) 4.059 6.385 ( 0.000 3.867 1.235) 4.059 6.514 ( 0.000 -7.211 -0.198) 7.214 6.514 ( 0.000 7.211 -0.198) 7.214 6.560 ( 0.000 -1.925 1.719) 2.580 6.560 ( 0.000 1.925 1.719) 2.580 6.621 ( 0.000 -0.020 1.325) 1.325 6.621 ( 0.000 0.020 1.325) 1.325 6.934 ( 0.000 -2.377 -0.959) 2.563 6.934 ( 0.000 2.377 -0.959) 2.563 7.016 ( 0.000 -3.228 -0.137) 3.231 7.016 ( 0.000 3.228 -0.137) 3.231 7.308 ( 0.000 -0.788 5.242) 5.301 7.308 ( 0.000 0.788 5.242) 5.301 7.540 ( 0.000 -6.065 2.466) 6.547 7.540 ( 0.000 6.065 2.466) 6.547 7.615 ( 0.000 -0.619 -7.777) 7.801 7.615 ( 0.000 0.619 -7.777) 7.801 7.929 ( 0.000 -5.842 -3.279) 6.699 7.929 ( 0.000 5.842 -3.279) 6.699 9.933 ( 0.000 -0.350 1.215) 1.265 9.933 ( 0.000 0.350 1.215) 1.265 10.018 ( 0.000 -1.932 4.793) 5.167 10.018 ( 0.000 1.932 4.793) 5.167 10.158 ( 0.000 -1.202 -2.208) 2.514 10.158 ( 0.000 1.202 -2.208) 2.514 10.235 ( 0.000 -2.815 -1.074) 3.013 10.235 ( 0.000 2.815 -1.074) 3.013 10.296 ( 0.000 -0.070 -3.312) 3.313 10.296 ( 0.000 0.070 -3.312) 3.313 10.337 ( 0.000 -0.682 -4.457) 4.508 10.337 ( 0.000 0.682 -4.457) 4.508 11.051 ( 0.000 -0.110 1.506) 1.510 11.051 ( 0.000 0.110 1.506) 1.510 11.182 ( 0.000 -1.847 1.960) 2.693 11.182 ( 0.000 1.847 1.960) 2.693 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -4.761 -2.850 3.222) 6.416 1.503 ( -4.761 2.850 3.222) 6.416 1.597 ( -7.051 -2.129 -2.773) 7.870 1.597 ( -7.051 2.129 -2.773) 7.870 1.838 ( 1.195 -1.066 11.031) 11.147 1.838 ( 1.195 1.066 11.031) 11.147 1.870 ( 0.102 -4.228 9.356) 10.267 1.870 ( 0.102 4.228 9.356) 10.267 2.044 ( 7.208 -3.826 -0.946) 8.215 2.044 ( 7.208 3.826 -0.946) 8.215 2.259 ( -2.959 -10.454 4.142) 11.627 2.259 ( -2.959 10.454 4.142) 11.627 2.503 ( 1.790 -0.939 -1.444) 2.484 2.503 ( 1.790 0.939 -1.444) 2.484 2.568 ( 0.004 -1.445 -5.419) 5.609 2.568 ( 0.004 1.445 -5.419) 5.609 2.880 ( 2.837 -4.439 -11.293) 12.462 2.880 ( 2.837 4.439 -11.293) 12.462 3.021 ( -2.145 -4.267 -6.957) 8.438 3.021 ( -2.145 4.267 -6.957) 8.438 3.148 ( 2.646 -2.556 -2.788) 4.616 3.148 ( 2.646 2.556 -2.788) 4.616 3.358 ( -7.960 -14.679 -6.236) 17.825 3.358 ( -7.960 14.679 -6.236) 17.825 4.073 ( 11.745 -5.019 2.993) 13.118 4.073 ( 11.745 5.019 2.993) 13.118 4.422 ( -5.466 -10.545 9.059) 14.938 4.422 ( -5.466 10.545 9.059) 14.938 4.643 ( 1.736 -9.253 5.423) 10.864 4.643 ( 1.736 9.253 5.423) 10.864 4.698 ( 1.214 -3.217 4.546) 5.700 4.698 ( 1.214 3.217 4.546) 5.700 4.889 ( -0.748 -1.528 -4.027) 4.371 4.889 ( -0.748 1.528 -4.027) 4.371 4.984 ( -6.117 -3.880 -6.350) 9.632 4.984 ( -6.117 3.880 -6.350) 9.632 5.286 ( 3.318 -4.832 2.347) 6.314 5.286 ( 3.318 4.832 2.347) 6.314 5.340 ( 1.154 -7.818 0.075) 7.903 5.340 ( 1.154 7.818 0.075) 7.903 5.978 ( 1.563 -8.577 2.240) 9.001 5.978 ( 1.563 8.577 2.240) 9.001 6.053 ( -1.466 -4.570 0.341) 4.812 6.053 ( -1.466 4.570 0.341) 4.812 6.119 ( 2.683 -5.369 1.622) 6.218 6.119 ( 2.683 5.369 1.622) 6.218 6.305 ( -2.432 -3.530 -1.908) 4.692 6.305 ( -2.432 3.530 -1.908) 4.692 6.337 ( -2.126 -2.232 -2.534) 3.991 6.337 ( -2.126 2.232 -2.534) 3.991 6.475 ( -5.425 -2.108 -1.356) 5.976 6.475 ( -5.425 2.108 -1.356) 5.976 6.593 ( 4.631 -4.685 0.352) 6.597 6.593 ( 4.631 4.685 0.352) 6.597 6.661 ( 2.018 -2.561 -1.429) 3.560 6.661 ( 2.018 2.561 -1.429) 3.560 6.926 ( -0.496 -2.696 -0.549) 2.796 6.926 ( -0.496 2.696 -0.549) 2.796 6.975 ( -3.103 -2.793 0.989) 4.290 6.975 ( -3.103 2.793 0.989) 4.290 7.368 ( 5.074 -2.375 5.459) 7.822 7.368 ( 5.074 2.375 5.459) 7.822 7.518 ( -2.426 -5.357 2.914) 6.563 7.518 ( -2.426 5.357 2.914) 6.563 7.662 ( 4.949 -1.907 -7.203) 8.945 7.662 ( 4.949 1.907 -7.203) 8.945 7.885 ( -4.616 -5.611 -3.776) 8.189 7.885 ( -4.616 5.611 -3.776) 8.189 9.948 ( 1.511 -0.499 1.765) 2.377 9.948 ( 1.511 0.499 1.765) 2.377 10.008 ( -1.124 -1.686 4.294) 4.748 10.008 ( -1.124 1.686 4.294) 4.748 10.167 ( 1.006 -1.844 -2.188) 3.033 10.167 ( 1.006 1.844 -2.188) 3.033 10.221 ( -1.369 -2.764 -1.514) 3.436 10.221 ( -1.369 2.764 -1.514) 3.436 10.304 ( 0.704 -0.501 -3.309) 3.420 10.304 ( 0.704 0.501 -3.309) 3.420 10.330 ( -0.623 -0.435 -4.188) 4.256 10.330 ( -0.623 0.435 -4.188) 4.256 11.070 ( 1.984 -0.503 1.600) 2.598 11.070 ( 1.984 0.503 1.600) 2.598 11.162 ( -2.037 -1.610 1.919) 3.228 11.162 ( -2.037 1.610 1.919) 3.228 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -3.209 -1.811 -1.049) 3.831 1.486 ( -0.415 -0.865 -1.049) 1.422 1.486 ( 0.415 0.865 -1.049) 1.422 1.486 ( 3.209 1.811 -1.049) 3.831 1.860 ( -1.014 -2.120 10.186) 10.454 1.860 ( 0.842 -2.101 10.186) 10.435 1.860 ( -0.842 2.101 10.186) 10.435 1.860 ( 1.014 2.120 10.186) 10.454 2.174 ( -6.408 -7.588 4.930) 11.088 2.174 ( 6.392 -7.585 4.930) 11.076 2.174 ( -6.392 7.585 4.930) 11.076 2.174 ( 6.408 7.588 4.930) 11.088 2.542 ( -1.634 -3.738 -4.318) 5.940 2.542 ( 0.552 -3.658 -4.318) 5.686 2.542 ( -0.552 3.658 -4.318) 5.686 2.542 ( 1.634 3.738 -4.318) 5.940 2.958 ( -4.057 -1.317 -11.816) 12.562 2.958 ( -3.520 -0.846 -11.816) 12.358 2.958 ( 3.520 0.846 -11.816) 12.358 2.958 ( 4.057 1.317 -11.816) 12.562 3.226 ( -5.069 -9.456 -3.474) 11.278 3.226 ( 3.268 -9.255 -3.474) 10.412 3.226 ( -3.268 9.255 -3.474) 10.412 3.226 ( 5.069 9.456 -3.474) 11.278 4.281 ( -8.850 -10.166 6.298) 14.877 4.281 ( 3.688 -9.337 6.298) 11.851 4.281 ( -3.688 9.337 6.298) 11.851 4.281 ( 8.850 10.166 6.298) 14.877 4.687 ( -2.219 -5.429 5.970) 8.369 4.687 ( 1.970 -5.405 5.970) 8.290 4.687 ( -1.970 5.405 5.970) 8.290 4.687 ( 2.219 5.429 5.970) 8.369 4.900 ( -2.208 -3.255 -5.838) 7.039 4.900 ( 1.218 -3.122 -5.838) 6.731 4.900 ( -1.218 3.122 -5.838) 6.731 4.900 ( 2.208 3.255 -5.838) 7.039 5.335 ( -1.509 -7.444 1.276) 7.702 5.335 ( 1.366 -7.437 1.276) 7.669 5.335 ( -1.366 7.437 1.276) 7.669 5.335 ( 1.509 7.444 1.276) 7.702 6.013 ( -2.128 -8.258 0.480) 8.541 6.013 ( 2.008 -8.251 0.480) 8.505 6.013 ( -2.008 8.251 0.480) 8.505 6.013 ( 2.128 8.258 0.480) 8.541 6.208 ( -5.789 -7.509 3.228) 10.015 6.208 ( 3.986 -7.209 3.228) 8.848 6.208 ( -3.986 7.209 3.228) 8.848 6.208 ( 5.789 7.509 3.228) 10.015 6.376 ( -3.790 -7.340 -4.037) 9.194 6.376 ( 2.155 -7.172 -4.037) 8.508 6.376 ( -2.155 7.172 -4.037) 8.508 6.376 ( 3.790 7.340 -4.037) 9.194 6.661 ( -1.453 -5.286 -2.569) 6.054 6.661 ( 0.808 -5.251 -2.569) 5.902 6.661 ( -0.808 5.251 -2.569) 5.902 6.661 ( 1.453 5.286 -2.569) 6.054 6.932 ( -1.038 -3.836 1.186) 4.147 6.932 ( 0.726 -3.818 1.186) 4.063 6.932 ( -0.726 3.818 1.186) 4.063 6.932 ( 1.038 3.836 1.186) 4.147 7.456 ( -4.264 -4.283 4.439) 7.499 7.456 ( 4.151 -4.255 4.439) 7.419 7.456 ( -4.151 4.255 4.439) 7.419 7.456 ( 4.264 4.283 4.439) 7.499 7.775 ( -5.971 -6.357 -5.371) 10.242 7.775 ( 1.745 -5.680 -5.371) 8.009 7.775 ( -1.745 5.680 -5.371) 8.009 7.775 ( 5.971 6.357 -5.371) 10.243 9.980 ( -1.456 -1.736 3.073) 3.818 9.980 ( 0.174 -1.579 3.073) 3.459 9.980 ( -0.174 1.579 3.073) 3.459 9.980 ( 1.456 1.736 3.073) 3.818 10.192 ( -1.662 -2.538 -2.057) 3.665 10.192 ( 1.661 -2.537 -2.057) 3.664 10.192 ( -1.661 2.537 -2.057) 3.664 10.192 ( 1.662 2.538 -2.057) 3.665 10.317 ( -0.731 -0.515 -3.635) 3.743 10.317 ( 0.316 -0.396 -3.635) 3.670 10.317 ( -0.316 0.396 -3.635) 3.670 10.317 ( 0.731 0.515 -3.635) 3.743 11.116 ( -1.424 -4.219 1.786) 4.798 11.116 ( -0.230 -4.160 1.786) 4.533 11.116 ( 0.230 4.160 1.786) 4.533 11.116 ( 1.424 4.219 1.786) 4.798 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 0.000 -4.423) 4.423 1.117 ( 0.000 0.000 4.423) 4.423 1.394 ( 0.000 0.000 -0.469) 0.469 1.394 ( 0.000 0.000 0.469) 0.469 1.626 ( 0.000 0.000 -1.661) 1.661 1.626 ( 0.000 0.000 1.661) 1.661 1.774 ( 0.000 0.000 -11.903) 11.903 1.774 ( 0.000 0.000 11.903) 11.903 1.818 ( 0.000 0.000 -16.180) 16.180 1.818 ( 0.000 0.000 16.180) 16.180 2.079 ( 0.000 0.000 -7.475) 7.475 2.079 ( 0.000 0.000 7.475) 7.475 2.340 ( 0.000 0.000 -11.353) 11.353 2.340 ( 0.000 0.000 11.353) 11.353 2.473 ( 0.000 0.000 -10.210) 10.210 2.473 ( 0.000 0.000 10.210) 10.210 2.813 ( 0.000 0.000 -4.003) 4.003 2.813 ( 0.000 0.000 4.003) 4.003 3.202 ( 0.000 0.000 -13.470) 13.470 3.202 ( 0.000 0.000 13.470) 13.470 3.720 ( 0.000 0.000 -16.137) 16.137 3.720 ( 0.000 0.000 16.137) 16.137 3.807 ( 0.000 0.000 -19.480) 19.480 3.807 ( 0.000 0.000 19.480) 19.480 3.903 ( 0.000 0.000 -11.094) 11.094 3.903 ( 0.000 0.000 11.094) 11.094 4.342 ( 0.000 0.000 -16.664) 16.664 4.342 ( 0.000 0.000 16.664) 16.664 4.421 ( 0.000 0.000 -1.251) 1.251 4.421 ( 0.000 0.000 1.251) 1.251 4.670 ( 0.000 0.000 -13.359) 13.359 4.670 ( 0.000 0.000 13.359) 13.359 4.874 ( 0.000 0.000 -0.686) 0.686 4.874 ( 0.000 0.000 0.686) 0.686 4.915 ( 0.000 0.000 -6.255) 6.255 4.915 ( 0.000 0.000 6.255) 6.255 5.188 ( 0.000 0.000 -2.514) 2.514 5.188 ( 0.000 0.000 2.514) 2.514 5.554 ( 0.000 0.000 -3.147) 3.147 5.554 ( 0.000 0.000 3.147) 3.147 5.661 ( 0.000 0.000 -1.641) 1.641 5.661 ( 0.000 0.000 1.641) 1.641 5.928 ( 0.000 0.000 -17.808) 17.808 5.928 ( 0.000 0.000 17.808) 17.808 5.948 ( 0.000 0.000 -3.234) 3.234 5.948 ( 0.000 0.000 3.234) 3.234 6.386 ( 0.000 0.000 -5.797) 5.797 6.386 ( 0.000 0.000 5.797) 5.797 6.435 ( 0.000 0.000 -1.913) 1.913 6.435 ( 0.000 0.000 1.913) 1.913 6.516 ( 0.000 0.000 -4.338) 4.338 6.516 ( 0.000 0.000 4.338) 4.338 6.587 ( 0.000 0.000 -5.756) 5.756 6.587 ( 0.000 0.000 5.756) 5.756 6.900 ( 0.000 0.000 -0.753) 0.753 6.900 ( 0.000 0.000 0.753) 0.753 6.965 ( 0.000 0.000 -0.213) 0.213 6.965 ( 0.000 0.000 0.213) 0.213 7.144 ( 0.000 0.000 -3.339) 3.339 7.144 ( 0.000 0.000 3.339) 3.339 7.164 ( 0.000 0.000 -0.147) 0.147 7.164 ( 0.000 0.000 0.147) 0.147 7.435 ( 0.000 0.000 -7.320) 7.320 7.435 ( 0.000 0.000 7.320) 7.320 7.594 ( 0.000 0.000 -14.971) 14.971 7.594 ( 0.000 0.000 14.971) 14.971 8.253 ( 0.000 0.000 -10.707) 10.707 8.253 ( 0.000 0.000 10.707) 10.707 9.891 ( 0.000 0.000 -1.644) 1.644 9.891 ( 0.000 0.000 1.644) 1.644 9.965 ( 0.000 0.000 -2.078) 2.078 9.965 ( 0.000 0.000 2.078) 2.078 10.002 ( 0.000 0.000 -2.771) 2.771 10.002 ( 0.000 0.000 2.771) 2.771 10.225 ( 0.000 0.000 -0.121) 0.121 10.225 ( 0.000 0.000 0.121) 0.121 10.245 ( 0.000 0.000 -4.924) 4.924 10.245 ( 0.000 0.000 4.924) 4.924 10.295 ( 0.000 0.000 -3.996) 3.996 10.295 ( 0.000 0.000 3.996) 3.996 11.029 ( 0.000 0.000 -1.192) 1.192 11.029 ( 0.000 0.000 1.192) 1.192 11.433 ( 0.000 0.000 -4.012) 4.012 11.433 ( 0.000 0.000 4.012) 4.012 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.953 0.000 -3.147) 3.288 1.107 ( -0.953 0.000 3.147) 3.288 1.390 ( -0.201 0.000 -1.122) 1.139 1.390 ( -0.201 0.000 1.122) 1.139 1.540 ( -6.822 0.000 -1.870) 7.074 1.540 ( -6.822 0.000 1.870) 7.074 1.826 ( 4.768 0.000 -9.492) 10.622 1.826 ( 4.768 0.000 9.492) 10.622 1.873 ( 5.168 0.000 -13.222) 14.196 1.873 ( 5.168 0.000 13.222) 14.196 2.114 ( 2.185 0.000 -9.029) 9.290 2.114 ( 2.185 0.000 9.029) 9.290 2.358 ( 1.209 0.000 -8.519) 8.605 2.358 ( 1.209 0.000 8.519) 8.605 2.402 ( -6.384 0.000 -9.890) 11.772 2.402 ( -6.384 0.000 9.890) 11.772 2.825 ( 1.346 0.000 -2.592) 2.920 2.825 ( 1.346 0.000 2.592) 2.920 3.292 ( 8.725 0.000 -15.052) 17.398 3.292 ( 8.725 0.000 15.052) 17.398 3.533 ( -11.318 0.000 -7.174) 13.400 3.533 ( -11.318 0.000 7.174) 13.400 3.709 ( -9.340 0.000 -18.100) 20.368 3.709 ( -9.340 0.000 18.100) 20.368 4.031 ( 4.255 0.000 -6.823) 8.041 4.031 ( 4.255 0.000 6.823) 8.041 4.364 ( 5.135 0.000 -13.249) 14.209 4.364 ( 5.135 0.000 13.249) 14.209 4.508 ( 8.159 0.000 -3.161) 8.750 4.508 ( 8.159 0.000 3.161) 8.750 4.642 ( -3.986 0.000 -8.814) 9.673 4.642 ( -3.986 0.000 8.814) 9.673 4.815 ( -6.053 0.000 -2.700) 6.628 4.815 ( -6.053 0.000 2.700) 6.628 4.945 ( 2.734 0.000 -9.235) 9.631 4.945 ( 2.734 0.000 9.235) 9.631 5.190 ( 0.161 0.000 -1.671) 1.678 5.190 ( 0.161 0.000 1.671) 1.678 5.556 ( 0.214 0.000 -2.649) 2.657 5.556 ( 0.214 0.000 2.649) 2.657 5.684 ( 2.023 0.000 -2.587) 3.284 5.684 ( 2.023 0.000 2.587) 3.284 5.942 ( -0.617 0.000 -4.229) 4.274 5.942 ( -0.617 0.000 4.229) 4.274 5.968 ( 4.008 0.000 -13.904) 14.470 5.968 ( 4.008 0.000 13.904) 14.470 6.342 ( -4.072 0.000 -4.248) 5.884 6.342 ( -4.072 0.000 4.248) 5.884 6.405 ( -2.296 0.000 -1.958) 3.017 6.405 ( -2.296 0.000 1.958) 3.017 6.507 ( -1.411 0.000 -3.027) 3.340 6.507 ( -1.411 0.000 3.027) 3.340 6.614 ( 2.066 0.000 -3.551) 4.108 6.614 ( 2.066 0.000 3.551) 4.108 6.900 ( 0.865 0.000 -0.638) 1.075 6.900 ( 0.865 0.000 0.638) 1.075 6.961 ( -0.340 0.000 -0.256) 0.426 6.961 ( -0.340 0.000 0.256) 0.426 7.115 ( -2.959 0.000 -2.651) 3.973 7.115 ( -2.959 0.000 2.651) 3.973 7.164 ( 0.015 0.000 -0.112) 0.113 7.164 ( 0.015 0.000 0.112) 0.113 7.422 ( -0.307 0.000 -5.786) 5.794 7.422 ( -0.307 0.000 5.786) 5.794 7.680 ( 6.871 0.000 -12.030) 13.854 7.680 ( 6.871 0.000 12.030) 13.854 8.218 ( -3.292 0.000 -8.918) 9.507 8.218 ( -3.292 0.000 8.918) 9.507 9.890 ( -0.062 0.000 -1.139) 1.141 9.890 ( -0.062 0.000 1.139) 1.141 9.965 ( 0.051 0.000 -1.446) 1.447 9.965 ( 0.051 0.000 1.446) 1.447 10.023 ( 1.948 0.000 -2.775) 3.390 10.023 ( 1.948 0.000 2.775) 3.390 10.208 ( -1.880 0.000 -3.835) 4.271 10.208 ( -1.880 0.000 3.835) 4.271 10.248 ( 0.543 0.000 -1.809) 1.889 10.248 ( 0.543 0.000 1.809) 1.889 10.289 ( -0.625 0.000 -2.816) 2.885 10.289 ( -0.625 0.000 2.816) 2.885 11.045 ( 1.498 0.000 -0.886) 1.741 11.045 ( 1.498 0.000 0.886) 1.741 11.415 ( -1.692 0.000 -2.918) 3.373 11.415 ( -1.692 0.000 2.918) 3.373 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.439 ( -0.000 0.000 -0.000) 0.000 3.439 ( -0.000 0.000 0.000) 0.000 3.555 ( -0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.501 ( -0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.533 ( -0.000 0.000 -0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.657 ( 0.000 0.000 -0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.688 ( -0.000 0.000 -0.000) 0.000 4.688 ( -0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 -0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 -0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 17.511 -4.250) 18.019 1.366 ( 0.000 17.511 4.250) 18.019 1.459 ( 0.000 5.748 -0.320) 5.757 1.459 ( 0.000 5.748 0.320) 5.757 1.673 ( 0.000 6.449 -0.929) 6.515 1.673 ( 0.000 6.449 0.929) 6.515 1.818 ( 0.000 4.260 -6.674) 7.917 1.818 ( 0.000 4.260 6.674) 7.917 1.909 ( 0.000 7.766 -12.319) 14.562 1.909 ( 0.000 7.766 12.319) 14.562 2.040 ( 0.000 -3.034 -4.245) 5.217 2.040 ( 0.000 -3.034 4.245) 5.217 2.365 ( 0.000 2.353 -8.803) 9.112 2.365 ( 0.000 2.353 8.803) 9.112 2.470 ( 0.000 -0.342 -11.927) 11.932 2.470 ( 0.000 -0.342 11.927) 11.932 2.767 ( 0.000 -4.161 -2.176) 4.695 2.767 ( 0.000 -4.161 2.176) 4.695 3.135 ( 0.000 -4.654 -9.555) 10.628 3.135 ( 0.000 -4.654 9.555) 10.628 3.513 ( 0.000 -16.584 -13.307) 21.263 3.513 ( 0.000 -16.584 13.307) 21.263 3.744 ( 0.000 -3.875 -18.213) 18.620 3.744 ( 0.000 -3.875 18.213) 18.620 3.997 ( 0.000 3.088 -17.560) 17.830 3.997 ( 0.000 3.088 17.560) 17.830 4.344 ( 0.000 -1.155 -3.044) 3.256 4.344 ( 0.000 -1.155 3.044) 3.256 4.482 ( 0.000 7.103 -11.125) 13.199 4.482 ( 0.000 7.103 11.125) 13.199 4.726 ( 0.000 6.312 -7.823) 10.052 4.726 ( 0.000 6.312 7.823) 10.052 4.846 ( 0.000 -2.001 -1.314) 2.394 4.846 ( 0.000 -2.001 1.314) 2.394 4.965 ( 0.000 4.089 -3.242) 5.219 4.965 ( 0.000 4.089 3.242) 5.219 5.274 ( 0.000 2.096 -5.084) 5.500 5.274 ( 0.000 2.096 5.084) 5.500 5.459 ( 0.000 -2.837 -1.212) 3.085 5.459 ( 0.000 -2.837 1.212) 3.085 5.740 ( 0.000 1.655 -2.708) 3.174 5.740 ( 0.000 1.655 2.708) 3.174 5.860 ( 0.000 0.488 -3.309) 3.344 5.860 ( 0.000 0.488 3.309) 3.344 6.017 ( 0.000 4.296 -9.721) 10.628 6.017 ( 0.000 4.296 9.721) 10.628 6.356 ( 0.000 -4.565 -2.289) 5.107 6.356 ( 0.000 -4.565 2.289) 5.107 6.387 ( 0.000 -1.435 -4.875) 5.081 6.387 ( 0.000 -1.435 4.875) 5.081 6.497 ( 0.000 0.141 -1.228) 1.236 6.497 ( 0.000 0.141 1.228) 1.236 6.636 ( 0.000 1.523 -1.181) 1.928 6.636 ( 0.000 1.523 1.181) 1.928 6.898 ( 0.000 -2.446 -0.717) 2.549 6.898 ( 0.000 -2.446 0.717) 2.549 6.959 ( 0.000 -0.547 -0.602) 0.813 6.959 ( 0.000 -0.547 0.602) 0.813 7.067 ( 0.000 -3.018 -1.541) 3.389 7.067 ( 0.000 -3.018 1.541) 3.389 7.264 ( 0.000 6.061 -0.906) 6.129 7.264 ( 0.000 6.061 0.906) 6.129 7.435 ( 0.000 0.121 -5.932) 5.933 7.435 ( 0.000 0.121 5.932) 5.933 7.583 ( 0.000 -0.915 -13.964) 13.994 7.583 ( 0.000 -0.915 13.964) 13.994 8.163 ( 0.000 -7.939 -9.803) 12.615 8.163 ( 0.000 -7.939 9.803) 12.615 9.936 ( 0.000 1.148 -0.224) 1.170 9.936 ( 0.000 1.148 0.224) 1.170 9.956 ( 0.000 2.967 -2.801) 4.080 9.956 ( 0.000 2.967 2.801) 4.080 10.056 ( 0.000 3.634 -2.539) 4.433 10.056 ( 0.000 3.634 2.539) 4.433 10.224 ( 0.000 -0.889 -5.128) 5.204 10.224 ( 0.000 -0.889 5.128) 5.204 10.239 ( 0.000 0.244 -0.017) 0.245 10.239 ( 0.000 0.244 0.017) 0.245 10.290 ( 0.000 -0.269 -3.046) 3.058 10.290 ( 0.000 -0.269 3.046) 3.058 11.029 ( 0.000 0.119 -0.963) 0.970 11.029 ( 0.000 0.119 0.963) 0.970 11.386 ( 0.000 -4.381 -3.282) 5.474 11.386 ( 0.000 -4.381 3.282) 5.474 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.131 16.730 -2.534) 16.922 1.361 ( -0.131 16.730 2.534) 16.922 1.468 ( 0.752 6.959 -0.577) 7.024 1.468 ( 0.752 6.959 0.577) 7.024 1.564 ( -8.503 4.174 -1.824) 9.647 1.564 ( -8.503 4.174 1.824) 9.647 1.841 ( 2.973 4.281 -10.520) 11.741 1.841 ( 2.973 4.281 10.520) 11.741 1.940 ( 1.362 4.006 -12.188) 12.901 1.940 ( 1.362 4.006 12.188) 12.901 2.113 ( 5.644 0.879 -3.444) 6.670 2.113 ( 5.644 0.879 3.444) 6.670 2.367 ( -0.595 1.339 -2.444) 2.850 2.367 ( -0.595 1.339 2.444) 2.850 2.421 ( -3.370 1.121 -5.890) 6.878 2.421 ( -3.370 1.121 5.890) 6.878 2.803 ( 2.947 -2.105 -1.500) 3.920 2.803 ( 2.947 -2.105 1.500) 3.920 3.178 ( 3.992 -8.197 -11.636) 14.783 3.178 ( 3.992 -8.197 11.636) 14.783 3.404 ( -8.533 -12.402 -7.567) 16.849 3.404 ( -8.533 -12.402 7.567) 16.849 3.671 ( -5.615 -3.382 -2.437) 6.993 3.671 ( -5.615 -3.382 2.437) 6.993 4.085 ( 3.790 2.377 -8.735) 9.814 4.085 ( 3.790 2.377 8.735) 9.814 4.354 ( 4.624 1.219 -5.172) 7.044 4.354 ( 4.624 1.219 5.172) 7.044 4.542 ( 3.837 3.086 -4.550) 6.705 4.542 ( 3.837 3.086 4.550) 6.705 4.713 ( -2.010 5.485 -7.168) 9.246 4.713 ( -2.010 5.485 7.168) 9.246 4.830 ( -0.844 -0.989 -1.314) 1.849 4.830 ( -0.844 -0.989 1.314) 1.849 4.925 ( -3.658 2.884 -2.659) 5.363 4.925 ( -3.658 2.884 2.659) 5.363 5.304 ( 2.375 4.193 -5.148) 7.051 5.304 ( 2.375 4.193 5.148) 7.051 5.448 ( -0.917 -4.617 -0.859) 4.785 5.448 ( -0.917 -4.617 0.859) 4.785 5.767 ( 2.897 2.329 -2.716) 4.603 5.767 ( 2.897 2.329 2.716) 4.603 5.883 ( 0.942 0.437 -2.430) 2.643 5.883 ( 0.942 0.437 2.430) 2.643 6.017 ( 0.958 3.358 -10.264) 10.841 6.017 ( 0.958 3.358 10.264) 10.841 6.338 ( -1.084 -0.818 -2.268) 2.644 6.338 ( -1.084 -0.818 2.268) 2.644 6.408 ( 0.607 -2.554 -0.750) 2.730 6.408 ( 0.607 -2.554 0.750) 2.730 6.475 ( -2.192 0.386 -1.161) 2.511 6.475 ( -2.192 0.386 1.161) 2.511 6.585 ( -3.820 -1.696 -0.440) 4.202 6.585 ( -3.820 -1.696 0.440) 4.202 6.909 ( 0.856 -3.126 -1.400) 3.531 6.909 ( 0.856 -3.126 1.400) 3.531 6.960 ( 0.733 -0.078 -0.437) 0.857 6.960 ( 0.733 -0.078 0.437) 0.857 7.046 ( -2.106 -2.345 -1.692) 3.577 7.046 ( -2.106 -2.345 1.692) 3.577 7.256 ( -0.640 5.966 -0.866) 6.063 7.256 ( -0.640 5.966 0.866) 6.063 7.442 ( 0.670 2.153 -5.263) 5.726 7.442 ( 0.670 2.153 5.263) 5.726 7.661 ( 6.949 -1.797 -12.217) 14.170 7.661 ( 6.949 -1.797 12.217) 14.170 8.122 ( -3.954 -8.448 -8.601) 12.687 8.122 ( -3.954 -8.448 8.601) 12.687 9.943 ( 0.418 3.201 -0.790) 3.323 9.943 ( 0.418 3.201 0.790) 3.323 9.959 ( 0.466 1.277 -2.457) 2.808 9.959 ( 0.466 1.277 2.457) 2.808 10.065 ( 0.964 3.166 -2.891) 4.394 10.065 ( 0.964 3.166 2.891) 4.394 10.201 ( -2.063 -0.882 -5.169) 5.635 10.201 ( -2.063 -0.882 5.169) 5.635 10.250 ( 0.846 0.323 -1.990) 2.186 10.250 ( 0.846 0.323 1.990) 2.186 10.284 ( -0.623 -0.223 -2.537) 2.622 10.284 ( -0.623 -0.223 2.537) 2.622 11.044 ( 1.370 0.007 -0.725) 1.550 11.044 ( 1.370 0.007 0.725) 1.550 11.369 ( -1.524 -4.228 -2.396) 5.093 11.369 ( -1.524 -4.228 2.396) 5.093 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 18.975 -0.000) 18.975 1.367 ( 0.000 18.975 0.000) 18.975 1.464 ( 0.000 -0.193 0.000) 0.193 1.464 ( 0.000 -0.193 0.000) 0.193 1.478 ( -0.000 8.602 0.000) 8.602 1.478 ( 0.000 8.602 0.000) 8.602 1.897 ( 0.000 4.011 -0.000) 4.011 1.897 ( 0.000 4.011 0.000) 4.011 1.930 ( 0.000 -0.067 -0.000) 0.067 1.930 ( -0.000 -0.067 0.000) 0.067 2.178 ( 0.000 3.663 0.000) 3.663 2.178 ( 0.000 3.663 0.000) 3.663 2.350 ( -0.000 1.595 0.000) 1.595 2.350 ( 0.000 1.595 0.000) 1.595 2.391 ( 0.000 2.167 0.000) 2.167 2.391 ( 0.000 2.167 0.000) 2.167 2.837 ( 0.000 -0.775 0.000) 0.775 2.837 ( 0.000 -0.775 0.000) 0.775 3.227 ( 0.000 -13.095 0.000) 13.095 3.227 ( -0.000 -13.095 0.000) 13.095 3.314 ( 0.000 -9.803 -0.000) 9.803 3.314 ( 0.000 -9.803 0.000) 9.803 3.605 ( 0.000 -1.031 0.000) 1.031 3.605 ( 0.000 -1.031 0.000) 1.031 4.100 ( -0.000 3.636 0.000) 3.636 4.100 ( 0.000 3.636 0.000) 3.636 4.471 ( -0.000 1.496 0.000) 1.496 4.471 ( 0.000 1.496 0.000) 1.496 4.539 ( -0.000 1.009 0.000) 1.009 4.539 ( 0.000 1.009 0.000) 1.009 4.689 ( -0.000 1.238 0.000) 1.238 4.689 ( 0.000 1.238 0.000) 1.238 4.828 ( -0.000 8.388 -0.000) 8.388 4.828 ( 0.000 8.388 0.000) 8.388 4.876 ( 0.000 -3.503 0.000) 3.503 4.876 ( 0.000 -3.503 0.000) 3.503 5.329 ( 0.000 6.303 0.000) 6.303 5.329 ( 0.000 6.303 0.000) 6.303 5.438 ( -0.000 -6.498 0.000) 6.498 5.438 ( 0.000 -6.498 0.000) 6.498 5.815 ( -0.000 5.601 -0.000) 5.601 5.815 ( 0.000 5.601 0.000) 5.601 5.871 ( -0.000 -2.706 0.000) 2.706 5.871 ( 0.000 -2.706 0.000) 2.706 6.046 ( -0.000 3.092 0.000) 3.092 6.046 ( 0.000 3.092 0.000) 3.092 6.320 ( 0.000 0.459 0.000) 0.459 6.320 ( 0.000 0.459 0.000) 0.459 6.403 ( -0.000 1.335 -0.000) 1.335 6.403 ( 0.000 1.335 -0.000) 1.335 6.447 ( 0.000 -2.341 0.000) 2.341 6.447 ( 0.000 -2.341 0.000) 2.341 6.553 ( 0.000 -4.255 0.000) 4.255 6.553 ( -0.000 -4.255 0.000) 4.255 6.915 ( 0.000 -4.068 0.000) 4.068 6.915 ( 0.000 -4.068 0.000) 4.068 6.993 ( -0.000 -5.352 0.000) 5.352 6.993 ( 0.000 -5.352 0.000) 5.352 7.002 ( -0.000 4.053 -0.000) 4.053 7.002 ( 0.000 4.053 0.000) 4.053 7.249 ( 0.000 6.030 0.000) 6.030 7.249 ( 0.000 6.030 0.000) 6.030 7.450 ( 0.000 2.778 0.000) 2.778 7.450 ( 0.000 2.778 0.000) 2.778 7.747 ( 0.000 -1.025 0.000) 1.025 7.747 ( 0.000 -1.025 0.000) 1.025 8.068 ( 0.000 -9.627 0.000) 9.627 8.068 ( 0.000 -9.627 0.000) 9.627 9.946 ( 0.000 4.702 0.000) 4.702 9.946 ( 0.000 4.702 0.000) 4.702 9.966 ( 0.000 0.279 -0.000) 0.279 9.966 ( 0.000 0.279 -0.000) 0.279 10.080 ( 0.000 2.580 0.000) 2.580 10.080 ( 0.000 2.580 0.000) 2.580 10.174 ( 0.000 -0.865 0.000) 0.865 10.174 ( 0.000 -0.865 0.000) 0.865 10.263 ( 0.000 0.615 -0.000) 0.615 10.263 ( 0.000 0.615 -0.000) 0.615 10.272 ( 0.000 -0.426 0.000) 0.426 10.272 ( -0.000 -0.426 0.000) 0.426 11.060 ( 0.000 -0.107 0.000) 0.107 11.060 ( 0.000 -0.107 0.000) 0.107 11.350 ( 0.000 -4.071 0.000) 4.071 11.350 ( 0.000 -4.071 0.000) 4.071 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 5.148 -4.105) 6.584 1.572 ( 0.000 5.148 4.105) 6.584 1.599 ( 0.000 5.804 -1.172) 5.921 1.599 ( 0.000 5.804 1.172) 5.921 1.861 ( 0.000 3.922 -1.926) 4.370 1.861 ( 0.000 3.922 1.926) 4.370 1.918 ( 0.000 4.441 -0.489) 4.468 1.918 ( 0.000 4.441 0.489) 4.468 1.998 ( 0.000 2.745 -8.890) 9.304 1.998 ( 0.000 2.745 8.890) 9.304 2.142 ( 0.000 12.144 -5.105) 13.174 2.142 ( 0.000 12.144 5.105) 13.174 2.410 ( 0.000 1.343 -5.555) 5.715 2.410 ( 0.000 1.343 5.555) 5.715 2.471 ( 0.000 1.024 -8.809) 8.868 2.471 ( 0.000 1.024 8.809) 8.868 2.697 ( 0.000 -0.539 -0.900) 1.049 2.697 ( 0.000 -0.539 0.900) 1.049 3.070 ( 0.000 -1.206 -0.931) 1.524 3.070 ( 0.000 -1.206 0.931) 1.524 3.195 ( 0.000 -12.315 -8.612) 15.027 3.195 ( 0.000 -12.315 8.612) 15.027 3.557 ( 0.000 -13.350 -17.046) 21.652 3.557 ( 0.000 -13.350 17.046) 21.652 4.003 ( 0.000 -1.364 -12.461) 12.535 4.003 ( 0.000 -1.364 12.461) 12.535 4.428 ( 0.000 8.806 -5.809) 10.549 4.428 ( 0.000 8.806 5.809) 10.549 4.608 ( 0.000 4.903 -1.018) 5.007 4.608 ( 0.000 4.903 1.018) 5.007 4.825 ( 0.000 1.032 -0.977) 1.421 4.825 ( 0.000 1.032 0.977) 1.421 4.836 ( 0.000 -1.557 -0.221) 1.573 4.836 ( 0.000 -1.557 0.221) 1.573 5.017 ( 0.000 0.452 -1.505) 1.571 5.017 ( 0.000 0.452 1.505) 1.571 5.238 ( 0.000 -1.074 -3.289) 3.460 5.238 ( 0.000 -1.074 3.289) 3.460 5.383 ( 0.000 -4.646 -6.549) 8.030 5.383 ( 0.000 -4.646 6.549) 8.030 5.844 ( 0.000 9.412 -3.859) 10.173 5.844 ( 0.000 9.412 3.859) 10.173 5.968 ( 0.000 7.139 -0.132) 7.141 5.968 ( 0.000 7.139 0.132) 7.141 6.111 ( 0.000 2.966 -4.440) 5.340 6.111 ( 0.000 2.966 4.440) 5.340 6.251 ( 0.000 -3.437 -4.644) 5.777 6.251 ( 0.000 -3.437 4.644) 5.777 6.390 ( 0.000 0.454 -3.444) 3.474 6.390 ( 0.000 0.454 3.444) 3.474 6.482 ( 0.000 -1.230 -3.489) 3.699 6.482 ( 0.000 -1.230 3.489) 3.699 6.633 ( 0.000 -1.530 -0.859) 1.755 6.633 ( 0.000 -1.530 0.859) 1.755 6.785 ( 0.000 -7.945 -0.797) 7.985 6.785 ( 0.000 -7.945 0.797) 7.985 6.914 ( 0.000 -2.307 -2.181) 3.175 6.914 ( 0.000 -2.307 2.181) 3.175 7.042 ( 0.000 -0.714 -0.858) 1.116 7.042 ( 0.000 -0.714 0.858) 1.116 7.386 ( 0.000 4.753 -3.889) 6.141 7.386 ( 0.000 4.753 3.889) 6.141 7.444 ( 0.000 0.966 -2.301) 2.496 7.444 ( 0.000 0.966 2.301) 2.496 7.570 ( 0.000 -0.095 -8.050) 8.051 7.570 ( 0.000 -0.095 8.050) 8.051 7.984 ( 0.000 -8.013 -7.143) 10.735 7.984 ( 0.000 -8.013 7.143) 10.735 9.940 ( 0.000 0.373 -0.330) 0.498 9.940 ( 0.000 0.373 0.330) 0.498 10.048 ( 0.000 3.701 -3.501) 5.095 10.048 ( 0.000 3.701 3.501) 5.095 10.122 ( 0.000 2.338 -0.566) 2.406 10.122 ( 0.000 2.338 0.566) 2.406 10.191 ( 0.000 -1.479 -7.058) 7.212 10.191 ( 0.000 -1.479 7.058) 7.212 10.262 ( 0.000 1.565 -2.235) 2.728 10.262 ( 0.000 1.565 2.235) 2.728 10.289 ( 0.000 0.096 -1.636) 1.639 10.289 ( 0.000 0.096 1.636) 1.639 11.041 ( 0.000 1.251 -0.386) 1.309 11.041 ( 0.000 1.251 0.386) 1.309 11.276 ( 0.000 -5.636 -1.766) 5.907 11.276 ( 0.000 -5.636 1.766) 5.907 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -4.336 2.363 -1.967) 5.316 1.492 ( -4.336 2.363 1.967) 5.316 1.566 ( -5.595 0.848 -2.648) 6.247 1.566 ( -5.595 0.848 2.648) 6.247 1.812 ( -0.595 12.691 -1.556) 12.800 1.812 ( -0.595 12.691 1.556) 12.800 1.963 ( 0.392 3.762 -1.596) 4.105 1.963 ( 0.392 3.762 1.596) 4.105 2.055 ( 5.038 5.620 -3.380) 8.270 2.055 ( 5.038 5.620 3.380) 8.270 2.194 ( 4.687 7.965 -5.389) 10.698 2.194 ( 4.687 7.965 5.389) 10.698 2.400 ( -1.239 1.987 -5.838) 6.290 2.400 ( -1.239 1.987 5.838) 6.290 2.450 ( -1.131 2.193 -3.873) 4.592 2.450 ( -1.131 2.193 3.873) 4.592 2.755 ( 4.690 -1.629 -0.974) 5.059 2.755 ( 4.690 -1.629 0.974) 5.059 3.030 ( -4.480 -5.895 -3.028) 7.999 3.030 ( -4.480 -5.895 3.028) 7.999 3.156 ( -2.412 -8.354 -5.693) 10.393 3.156 ( -2.412 -8.354 5.693) 10.393 3.504 ( -3.756 -12.647 -8.367) 15.622 3.504 ( -3.756 -12.647 8.367) 15.622 4.112 ( 8.130 1.269 -7.695) 11.266 4.112 ( 8.130 1.269 7.695) 11.266 4.445 ( 2.747 6.147 -7.459) 10.049 4.445 ( 2.747 6.147 7.459) 10.049 4.623 ( 0.745 4.472 -2.371) 5.116 4.623 ( 0.745 4.472 2.371) 5.116 4.751 ( -5.538 0.430 -0.708) 5.599 4.751 ( -5.538 0.430 0.708) 5.599 4.861 ( 1.184 -0.393 -1.879) 2.255 4.861 ( 1.184 -0.393 1.879) 2.255 4.964 ( -4.303 -0.740 -2.272) 4.922 4.964 ( -4.303 -0.740 2.272) 4.922 5.299 ( 4.367 -0.947 -5.829) 7.345 5.299 ( 4.367 -0.947 5.829) 7.345 5.369 ( -0.897 -3.188 -6.331) 7.145 5.369 ( -0.897 -3.188 6.331) 7.145 5.865 ( 2.239 8.006 -4.678) 9.539 5.865 ( 2.239 8.006 4.678) 9.539 5.987 ( -0.188 7.975 -3.946) 8.900 5.987 ( -0.188 7.975 3.946) 8.900 6.096 ( 1.315 2.113 -3.512) 4.304 6.096 ( 1.315 2.113 3.512) 4.304 6.274 ( 0.639 -2.506 -3.035) 3.988 6.274 ( 0.639 -2.506 3.035) 3.988 6.368 ( -1.459 -2.504 -2.152) 3.610 6.368 ( -1.459 -2.504 2.152) 3.610 6.494 ( 0.849 0.051 -1.990) 2.164 6.494 ( 0.849 0.051 1.990) 2.164 6.556 ( -6.561 -0.332 -1.997) 6.866 6.556 ( -6.561 -0.332 1.997) 6.866 6.790 ( 0.223 -7.878 -1.302) 7.989 6.790 ( 0.223 -7.878 1.302) 7.989 6.914 ( -0.050 -1.765 -1.532) 2.338 6.914 ( -0.050 -1.765 1.532) 2.338 7.026 ( -0.982 -1.668 -0.331) 1.964 7.026 ( -0.982 -1.668 0.331) 1.964 7.383 ( 0.005 6.127 -2.088) 6.473 7.383 ( 0.005 6.127 2.088) 6.473 7.505 ( 3.011 3.213 -2.912) 5.279 7.505 ( 3.011 3.213 2.912) 5.279 7.609 ( 5.891 -3.216 -11.492) 13.308 7.609 ( 5.891 -3.216 11.492) 13.308 7.934 ( -5.275 -8.262 -7.145) 12.130 7.934 ( -5.275 -8.262 7.145) 12.130 9.958 ( 1.753 0.656 -0.550) 1.951 9.958 ( 1.753 0.656 0.550) 1.951 10.041 ( -0.712 3.110 -3.119) 4.462 10.041 ( -0.712 3.110 3.119) 4.462 10.125 ( 0.375 2.235 -2.372) 3.281 10.125 ( 0.375 2.235 2.372) 3.281 10.177 ( -1.465 -0.903 -6.290) 6.521 10.177 ( -1.465 -0.903 6.290) 6.521 10.266 ( 0.411 1.200 -1.844) 2.238 10.266 ( 0.411 1.200 1.844) 2.238 10.285 ( -0.334 0.292 -1.491) 1.556 10.285 ( -0.334 0.292 1.491) 1.556 11.055 ( 1.306 1.342 -0.342) 1.904 11.055 ( 1.306 1.342 0.342) 1.904 11.261 ( -1.368 -5.675 -1.327) 5.987 11.261 ( -1.368 -5.675 1.327) 5.987 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 -0.026 -0.000) 0.026 1.460 ( 0.000 -0.026 0.000) 0.026 1.487 ( 0.000 -0.417 0.000) 0.417 1.487 ( 0.000 -0.417 0.000) 0.417 1.815 ( 0.000 15.337 0.000) 15.337 1.815 ( 0.000 15.337 0.000) 15.337 1.958 ( 0.000 2.585 0.000) 2.585 1.958 ( 0.000 2.585 0.000) 2.585 2.113 ( 0.000 12.184 -0.000) 12.184 2.113 ( 0.000 12.184 0.000) 12.184 2.251 ( 0.000 2.561 0.000) 2.561 2.251 ( 0.000 2.561 0.000) 2.561 2.381 ( 0.000 3.403 0.000) 3.403 2.381 ( 0.000 3.403 0.000) 3.403 2.441 ( -0.000 2.365 0.000) 2.365 2.441 ( 0.000 2.365 0.000) 2.365 2.811 ( 0.000 -1.470 0.000) 1.470 2.811 ( 0.000 -1.470 0.000) 1.470 2.965 ( -0.000 -11.182 0.000) 11.182 2.965 ( 0.000 -11.182 0.000) 11.182 3.138 ( 0.000 -5.128 0.000) 5.128 3.138 ( 0.000 -5.128 0.000) 5.128 3.465 ( 0.000 -11.821 0.000) 11.821 3.465 ( 0.000 -11.821 0.000) 11.821 4.192 ( -0.000 6.434 0.000) 6.434 4.192 ( 0.000 6.434 0.000) 6.434 4.525 ( 0.000 -4.715 0.000) 4.715 4.525 ( 0.000 -4.715 0.000) 4.715 4.586 ( -0.000 8.325 0.000) 8.325 4.586 ( 0.000 8.325 -0.000) 8.325 4.695 ( 0.000 2.493 0.000) 2.493 4.695 ( 0.000 2.493 0.000) 2.493 4.888 ( 0.000 0.367 0.000) 0.367 4.888 ( -0.000 0.367 0.000) 0.367 4.901 ( 0.000 -2.030 -0.000) 2.030 4.901 ( 0.000 -2.030 0.000) 2.030 5.331 ( 0.000 -2.844 0.000) 2.844 5.331 ( 0.000 -2.844 0.000) 2.844 5.374 ( -0.000 -0.316 -0.000) 0.316 5.374 ( 0.000 -0.316 0.000) 0.316 5.906 ( -0.000 4.474 -0.000) 4.474 5.906 ( 0.000 4.474 0.000) 4.474 5.951 ( 0.000 9.025 -0.000) 9.025 5.951 ( 0.000 9.025 0.000) 9.025 6.165 ( 0.000 7.760 0.000) 7.760 6.165 ( 0.000 7.760 0.000) 7.760 6.228 ( -0.000 -6.200 0.000) 6.200 6.228 ( 0.000 -6.200 0.000) 6.200 6.388 ( -0.000 -3.813 0.000) 3.813 6.388 ( 0.000 -3.813 0.000) 3.813 6.447 ( 0.000 -2.663 -0.000) 2.663 6.447 ( 0.000 -2.663 -0.000) 2.663 6.519 ( 0.000 3.205 0.000) 3.205 6.519 ( 0.000 3.205 0.000) 3.205 6.791 ( 0.000 -7.641 0.000) 7.641 6.791 ( 0.000 -7.641 0.000) 7.641 6.913 ( 0.000 -1.413 0.000) 1.413 6.913 ( 0.000 -1.413 0.000) 1.413 7.018 ( 0.000 -2.378 -0.000) 2.378 7.018 ( 0.000 -2.378 0.000) 2.378 7.384 ( 0.000 6.905 0.000) 6.905 7.384 ( 0.000 6.905 0.000) 6.905 7.523 ( 0.000 3.357 -0.000) 3.357 7.523 ( 0.000 3.357 0.000) 3.357 7.722 ( 0.000 -1.356 0.000) 1.356 7.722 ( 0.000 -1.356 0.000) 1.356 7.840 ( -0.000 -10.913 -0.000) 10.913 7.840 ( 0.000 -10.913 0.000) 10.913 9.983 ( -0.000 1.389 0.000) 1.389 9.983 ( 0.000 1.389 0.000) 1.389 10.029 ( -0.000 1.976 0.000) 1.976 10.029 ( 0.000 1.976 0.000) 1.976 10.133 ( 0.000 2.182 -0.000) 2.182 10.133 ( -0.000 2.182 -0.000) 2.182 10.155 ( -0.000 -0.332 0.000) 0.332 10.155 ( 0.000 -0.332 0.000) 0.332 10.273 ( 0.000 0.585 -0.000) 0.585 10.273 ( 0.000 0.585 -0.000) 0.585 10.279 ( 0.000 0.784 0.000) 0.784 10.279 ( 0.000 0.784 0.000) 0.784 11.072 ( 0.000 1.555 0.000) 1.555 11.072 ( 0.000 1.555 0.000) 1.555 11.244 ( 0.000 -5.834 0.000) 5.834 11.244 ( 0.000 -5.834 0.000) 5.834 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 -0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 -0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 -0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 -0.000 -0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 -0.000 -0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 -0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 -0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 -0.000 -0.000) 0.000 4.714 ( 0.000 -0.000 0.000) 0.000 4.842 ( 0.000 -0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 -0.000 -0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 -0.000 0.000) 0.000 6.049 ( 0.000 -0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 -0.000 0.000) 0.000 6.589 ( 0.000 -0.000 0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 -0.000 -0.000) 0.000 7.419 ( 0.000 0.000 -0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 -0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 -0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 -0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 -0.000) 0.000 10.286 ( 0.000 0.000 -0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 -0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -7.706 -0.000 0.000) 7.706 1.531 ( -7.706 0.000 0.000) 7.706 1.553 ( -6.651 0.000 0.000) 6.651 1.553 ( -6.651 0.000 -0.000) 6.651 1.977 ( 0.851 0.000 0.000) 0.851 1.977 ( 0.851 0.000 0.000) 0.851 1.982 ( 4.775 -0.000 0.000) 4.775 1.982 ( 4.775 -0.000 0.000) 4.775 2.099 ( 5.806 0.000 0.000) 5.806 2.099 ( 5.806 0.000 0.000) 5.806 2.264 ( 1.844 0.000 -0.000) 1.844 2.264 ( 1.844 0.000 0.000) 1.844 2.456 ( 0.663 0.000 -0.000) 0.663 2.456 ( 0.663 0.000 0.000) 0.663 2.484 ( -0.720 0.000 0.000) 0.720 2.484 ( -0.720 0.000 0.000) 0.720 2.749 ( 2.629 0.000 0.000) 2.629 2.749 ( 2.629 0.000 0.000) 2.629 2.956 ( -8.025 0.000 0.000) 8.025 2.956 ( -8.025 0.000 0.000) 8.025 3.150 ( 1.739 0.000 0.000) 1.739 3.150 ( 1.739 0.000 0.000) 1.739 3.268 ( -4.642 0.000 0.000) 4.642 3.268 ( -4.642 0.000 0.000) 4.642 4.134 ( 13.021 -0.000 0.000) 13.021 4.134 ( 13.021 0.000 0.000) 13.021 4.521 ( -6.167 -0.000 0.000) 6.167 4.521 ( -6.167 0.000 0.000) 6.167 4.729 ( 1.411 0.000 -0.000) 1.411 4.729 ( 1.411 0.000 0.000) 1.411 4.741 ( 3.841 -0.000 -0.000) 3.841 4.741 ( 3.841 -0.000 0.000) 3.841 4.806 ( -3.023 -0.000 -0.000) 3.023 4.806 ( -3.023 -0.000 0.000) 3.023 4.915 ( -5.793 0.000 0.000) 5.793 4.915 ( -5.793 0.000 0.000) 5.793 5.296 ( 3.347 0.000 0.000) 3.347 5.296 ( 3.347 0.000 0.000) 3.347 5.359 ( 0.439 0.000 0.000) 0.439 5.359 ( 0.439 0.000 0.000) 0.439 6.007 ( 0.342 -0.000 0.000) 0.342 6.007 ( 0.342 0.000 0.000) 0.342 6.034 ( -1.159 -0.000 0.000) 1.159 6.034 ( -1.159 0.000 0.000) 1.159 6.149 ( 6.186 0.000 -0.000) 6.186 6.149 ( 6.186 -0.000 0.000) 6.186 6.229 ( -0.415 0.000 0.000) 0.415 6.229 ( -0.415 0.000 0.000) 0.415 6.350 ( -4.020 0.000 0.000) 4.020 6.350 ( -4.020 0.000 0.000) 4.020 6.464 ( -5.005 -0.000 0.000) 5.005 6.464 ( -5.005 0.000 0.000) 5.005 6.615 ( 1.876 0.000 0.000) 1.876 6.615 ( 1.876 0.000 0.000) 1.876 6.639 ( -1.097 -0.000 -0.000) 1.097 6.639 ( -1.097 -0.000 0.000) 1.097 6.906 ( 1.411 0.000 0.000) 1.411 6.906 ( 1.411 0.000 0.000) 1.411 6.994 ( -2.935 0.000 0.000) 2.935 6.994 ( -2.935 0.000 0.000) 2.935 7.488 ( 1.288 0.000 -0.000) 1.288 7.488 ( 1.288 0.000 -0.000) 1.288 7.505 ( 6.117 -0.000 0.000) 6.117 7.505 ( 6.117 0.000 0.000) 6.117 7.572 ( 1.711 -0.000 -0.000) 1.711 7.572 ( 1.711 0.000 0.000) 1.711 7.841 ( -5.406 0.000 0.000) 5.406 7.841 ( -5.406 0.000 0.000) 5.406 9.968 ( 2.274 0.000 0.000) 2.274 9.968 ( 2.274 0.000 0.000) 2.274 10.065 ( -1.883 0.000 -0.000) 1.883 10.065 ( -1.883 0.000 0.000) 1.883 10.148 ( 0.358 0.000 -0.000) 0.358 10.148 ( 0.358 0.000 0.000) 0.358 10.173 ( -0.676 0.000 0.000) 0.676 10.173 ( -0.676 0.000 0.000) 0.676 10.285 ( -0.030 0.000 -0.000) 0.030 10.285 ( -0.030 0.000 0.000) 0.030 10.287 ( -0.029 -0.000 -0.000) 0.029 10.287 ( -0.029 -0.000 0.000) 0.029 11.086 ( 2.071 0.000 0.000) 2.071 11.086 ( 2.071 0.000 0.000) 2.071 11.181 ( -2.077 0.000 0.000) 2.077 11.181 ( -2.077 0.000 0.000) 2.077 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.719 -0.653 0.000) 0.971 1.468 ( -0.719 -0.653 0.000) 0.971 1.468 ( 0.719 0.653 0.000) 0.971 1.468 ( 0.719 0.653 0.000) 0.971 1.994 ( -0.271 -1.296 0.000) 1.324 1.994 ( -0.271 -1.296 0.000) 1.324 1.994 ( 0.271 1.296 0.000) 1.324 1.994 ( 0.271 1.296 0.000) 1.324 2.237 ( -3.564 -2.773 0.000) 4.516 2.237 ( -3.564 -2.773 0.000) 4.516 2.237 ( 3.564 2.773 -0.000) 4.516 2.237 ( 3.564 2.773 0.000) 4.516 2.470 ( -0.341 -0.782 0.000) 0.853 2.470 ( -0.341 -0.782 0.000) 0.853 2.470 ( 0.341 0.782 0.000) 0.853 2.470 ( 0.341 0.782 0.000) 0.853 2.818 ( -3.854 -2.230 0.000) 4.453 2.818 ( -3.854 -2.230 0.000) 4.453 2.818 ( 3.854 2.230 0.000) 4.453 2.818 ( 3.854 2.230 0.000) 4.453 3.197 ( -0.476 -11.068 0.000) 11.079 3.197 ( -0.476 -11.068 0.000) 11.079 3.197 ( 0.476 11.068 0.000) 11.079 3.197 ( 0.476 11.068 0.000) 11.079 4.365 ( -5.697 -8.179 0.000) 9.968 4.365 ( -5.697 -8.179 0.000) 9.968 4.365 ( 5.697 8.179 0.000) 9.968 4.365 ( 5.697 8.179 0.000) 9.968 4.755 ( -0.273 -4.167 -0.000) 4.176 4.755 ( -0.273 -4.167 0.000) 4.176 4.755 ( 0.273 4.167 0.000) 4.176 4.755 ( 0.273 4.167 -0.000) 4.176 4.820 ( -3.746 -0.543 -0.000) 3.785 4.820 ( -3.746 -0.543 0.000) 3.785 4.820 ( 3.746 0.543 0.000) 3.785 4.820 ( 3.746 0.543 0.000) 3.785 5.347 ( -0.594 -2.690 0.000) 2.755 5.347 ( -0.594 -2.690 0.000) 2.755 5.347 ( 0.594 2.690 0.000) 2.755 5.347 ( 0.594 2.690 0.000) 2.755 6.015 ( -0.056 -4.957 0.000) 4.958 6.015 ( -0.056 -4.957 0.000) 4.958 6.015 ( 0.056 4.957 0.000) 4.958 6.015 ( 0.056 4.957 0.000) 4.958 6.241 ( -0.002 -7.927 0.000) 7.927 6.241 ( -0.002 -7.927 0.000) 7.927 6.241 ( 0.002 7.927 0.000) 7.927 6.241 ( 0.002 7.927 0.000) 7.927 6.335 ( -2.516 -6.398 0.000) 6.875 6.335 ( -2.516 -6.398 0.000) 6.875 6.335 ( 2.516 6.398 0.000) 6.875 6.335 ( 2.516 6.398 0.000) 6.875 6.634 ( -0.003 -7.083 0.000) 7.083 6.634 ( -0.003 -7.083 0.000) 7.083 6.634 ( 0.003 7.083 0.000) 7.083 6.634 ( 0.003 7.083 0.000) 7.083 6.943 ( -0.838 -3.462 0.000) 3.562 6.943 ( -0.838 -3.462 0.000) 3.562 6.943 ( 0.838 3.462 0.000) 3.562 6.943 ( 0.838 3.462 0.000) 3.562 7.517 ( -0.253 -4.974 -0.000) 4.981 7.517 ( -0.253 -4.974 0.000) 4.981 7.517 ( 0.253 4.974 0.000) 4.981 7.517 ( 0.253 4.974 0.000) 4.981 7.706 ( -8.753 -0.260 0.000) 8.757 7.706 ( -8.753 -0.260 0.000) 8.757 7.706 ( 8.753 0.260 0.000) 8.757 7.706 ( 8.753 0.260 0.000) 8.757 10.019 ( -1.884 -1.442 0.000) 2.372 10.019 ( -1.884 -1.442 0.000) 2.372 10.019 ( 1.884 1.442 0.000) 2.372 10.019 ( 1.884 1.442 0.000) 2.372 10.158 ( -0.681 -0.090 0.000) 0.687 10.158 ( -0.681 -0.090 0.000) 0.687 10.158 ( 0.681 0.090 0.000) 0.687 10.158 ( 0.681 0.090 0.000) 0.687 10.286 ( -0.020 -0.293 0.000) 0.294 10.286 ( -0.020 -0.293 0.000) 0.294 10.286 ( 0.020 0.293 0.000) 0.294 10.286 ( 0.020 0.293 0.000) 0.294 11.133 ( -0.904 -4.260 0.000) 4.355 11.133 ( -0.904 -4.260 0.000) 4.355 11.133 ( 0.904 4.260 0.000) 4.355 11.133 ( 0.904 4.260 0.000) 4.355 =================== 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 3/16128 10.0 390.082 353.235 320.985 0.000 0.000 0.000 3/16128 20.0 103.931 115.647 132.989 0.000 0.000 0.000 3/16128 30.0 52.063 65.925 74.963 0.000 0.000 -0.000 3/16128 40.0 31.976 42.383 48.255 0.000 0.000 -0.000 3/16128 50.0 21.622 29.228 33.399 0.000 0.000 -0.000 3/16128 60.0 15.687 21.451 24.556 0.000 0.000 -0.000 3/16128 70.0 12.044 16.608 19.014 0.000 0.000 -0.000 3/16128 80.0 9.671 13.423 15.354 0.000 0.000 -0.000 3/16128 90.0 8.039 11.218 12.815 0.000 0.000 -0.000 3/16128 100.0 6.865 9.622 10.976 0.000 0.000 -0.000 3/16128 110.0 5.987 8.422 9.594 0.000 0.000 -0.000 3/16128 120.0 5.309 7.491 8.522 0.000 0.000 -0.000 3/16128 130.0 4.771 6.750 7.670 0.000 0.000 -0.000 3/16128 140.0 4.334 6.145 6.976 0.000 0.000 -0.000 3/16128 150.0 3.972 5.644 6.401 0.000 0.000 -0.000 3/16128 160.0 3.668 5.221 5.917 0.000 0.000 -0.000 3/16128 170.0 3.409 4.859 5.503 0.000 0.000 -0.000 3/16128 180.0 3.186 4.546 5.145 0.000 0.000 -0.000 3/16128 190.0 2.991 4.272 4.833 0.000 0.000 -0.000 3/16128 200.0 2.819 4.031 4.558 0.000 0.000 -0.000 3/16128 210.0 2.667 3.817 4.314 0.000 0.000 -0.000 3/16128 220.0 2.530 3.625 4.096 0.000 0.000 -0.000 3/16128 230.0 2.408 3.452 3.899 0.000 0.000 -0.000 3/16128 240.0 2.297 3.295 3.721 0.000 0.000 -0.000 3/16128 250.0 2.197 3.153 3.560 0.000 0.000 -0.000 3/16128 260.0 2.105 3.022 3.412 0.000 0.000 -0.000 3/16128 270.0 2.020 2.902 3.276 0.000 0.000 -0.000 3/16128 280.0 1.943 2.792 3.151 0.000 0.000 -0.000 3/16128 290.0 1.871 2.690 3.036 0.000 0.000 -0.000 3/16128 300.0 1.804 2.596 2.928 0.000 0.000 -0.000 3/16128 310.0 1.743 2.508 2.829 0.000 0.000 -0.000 3/16128 320.0 1.685 2.425 2.736 0.000 0.000 -0.000 3/16128 330.0 1.631 2.349 2.649 0.000 0.000 -0.000 3/16128 340.0 1.581 2.277 2.568 0.000 0.000 -0.000 3/16128 350.0 1.534 2.209 2.491 0.000 0.000 -0.000 3/16128 360.0 1.489 2.146 2.419 0.000 0.000 -0.000 3/16128 370.0 1.447 2.086 2.352 0.000 0.000 -0.000 3/16128 380.0 1.408 2.029 2.288 0.000 0.000 -0.000 3/16128 390.0 1.370 1.975 2.227 0.000 0.000 -0.000 3/16128 400.0 1.335 1.924 2.170 0.000 0.000 -0.000 3/16128 410.0 1.301 1.876 2.115 0.000 0.000 -0.000 3/16128 420.0 1.269 1.830 2.064 0.000 0.000 -0.000 3/16128 430.0 1.239 1.787 2.014 0.000 0.000 -0.000 3/16128 440.0 1.210 1.745 1.967 0.000 0.000 -0.000 3/16128 450.0 1.182 1.706 1.923 0.000 0.000 -0.000 3/16128 460.0 1.156 1.668 1.880 0.000 0.000 -0.000 3/16128 470.0 1.130 1.632 1.839 0.000 0.000 -0.000 3/16128 480.0 1.106 1.597 1.800 0.000 0.000 -0.000 3/16128 490.0 1.083 1.564 1.763 0.000 0.000 -0.000 3/16128 500.0 1.061 1.532 1.727 0.000 0.000 -0.000 3/16128 510.0 1.040 1.502 1.692 0.000 0.000 -0.000 3/16128 520.0 1.020 1.472 1.659 0.000 0.000 -0.000 3/16128 530.0 1.000 1.444 1.628 0.000 0.000 -0.000 3/16128 540.0 0.981 1.417 1.597 0.000 0.000 -0.000 3/16128 550.0 0.963 1.391 1.568 0.000 0.000 -0.000 3/16128 560.0 0.945 1.366 1.539 0.000 0.000 -0.000 3/16128 570.0 0.929 1.341 1.512 0.000 0.000 -0.000 3/16128 580.0 0.912 1.318 1.486 0.000 0.000 -0.000 3/16128 590.0 0.897 1.295 1.460 0.000 0.000 -0.000 3/16128 600.0 0.881 1.274 1.435 0.000 0.000 -0.000 3/16128 610.0 0.867 1.253 1.412 0.000 0.000 -0.000 3/16128 620.0 0.853 1.232 1.389 0.000 0.000 -0.000 3/16128 630.0 0.839 1.212 1.366 0.000 0.000 -0.000 3/16128 640.0 0.826 1.193 1.345 0.000 0.000 -0.000 3/16128 650.0 0.813 1.175 1.324 0.000 0.000 -0.000 3/16128 660.0 0.800 1.157 1.304 0.000 0.000 -0.000 3/16128 670.0 0.788 1.139 1.284 0.000 0.000 -0.000 3/16128 680.0 0.777 1.123 1.265 0.000 0.000 -0.000 3/16128 690.0 0.765 1.106 1.247 0.000 0.000 -0.000 3/16128 700.0 0.754 1.090 1.229 0.000 0.000 -0.000 3/16128 710.0 0.743 1.075 1.211 0.000 0.000 -0.000 3/16128 720.0 0.733 1.060 1.194 0.000 0.000 -0.000 3/16128 730.0 0.723 1.045 1.178 0.000 0.000 -0.000 3/16128 740.0 0.713 1.031 1.162 0.000 0.000 -0.000 3/16128 750.0 0.703 1.017 1.146 0.000 0.000 -0.000 3/16128 760.0 0.694 1.004 1.131 0.000 0.000 -0.000 3/16128 770.0 0.685 0.991 1.116 0.000 0.000 -0.000 3/16128 780.0 0.676 0.978 1.102 0.000 0.000 -0.000 3/16128 790.0 0.668 0.965 1.088 0.000 0.000 -0.000 3/16128 800.0 0.659 0.953 1.074 0.000 0.000 -0.000 3/16128 810.0 0.651 0.941 1.061 0.000 0.000 -0.000 3/16128 820.0 0.643 0.930 1.048 0.000 0.000 -0.000 3/16128 830.0 0.635 0.919 1.035 0.000 0.000 -0.000 3/16128 840.0 0.628 0.908 1.023 0.000 0.000 -0.000 3/16128 850.0 0.620 0.897 1.011 0.000 0.000 -0.000 3/16128 860.0 0.613 0.886 0.999 0.000 0.000 -0.000 3/16128 870.0 0.606 0.876 0.988 0.000 0.000 -0.000 3/16128 880.0 0.599 0.866 0.976 0.000 0.000 -0.000 3/16128 890.0 0.592 0.857 0.965 0.000 0.000 -0.000 3/16128 900.0 0.586 0.847 0.955 0.000 0.000 -0.000 3/16128 910.0 0.579 0.838 0.944 0.000 0.000 -0.000 3/16128 920.0 0.573 0.828 0.934 0.000 0.000 -0.000 3/16128 930.0 0.567 0.820 0.924 0.000 0.000 -0.000 3/16128 940.0 0.561 0.811 0.914 0.000 0.000 -0.000 3/16128 950.0 0.555 0.802 0.904 0.000 0.000 -0.000 3/16128 960.0 0.549 0.794 0.895 0.000 0.000 -0.000 3/16128 970.0 0.543 0.786 0.885 0.000 0.000 -0.000 3/16128 980.0 0.538 0.778 0.876 0.000 0.000 -0.000 3/16128 990.0 0.532 0.770 0.868 0.000 0.000 -0.000 3/16128 1000.0 0.527 0.762 0.859 0.000 0.000 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:23:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|