----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:23:04]------------------------- 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 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.364768360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.250883300000000 Atomic positions (fractional): *1 O 0.82417842206536 0.04029425900915 0.79254163547879 15.999 2 O 0.67582157793464 0.95970574099085 0.29254163547879 15.999 3 O 0.17582157793464 0.54029425900915 0.20745836452121 15.999 4 O 0.32417842206536 0.45970574099085 0.70745836452121 15.999 5 O 0.17582157793464 0.95970574099085 0.20745836452121 15.999 6 O 0.32417842206536 0.04029425900915 0.70745836452121 15.999 7 O 0.82417842206536 0.45970574099085 0.79254163547879 15.999 8 O 0.67582157793464 0.54029425900915 0.29254163547879 15.999 *9 O 0.95389639278606 0.75000000000000 0.17065266817950 15.999 10 O 0.54610360721394 0.25000000000000 0.67065266817950 15.999 11 O 0.04610360721394 0.25000000000000 0.82934733182050 15.999 12 O 0.45389639278606 0.75000000000000 0.32934733182050 15.999 *13 O 0.61187585055714 0.75000000000000 0.77746993926017 15.999 14 O 0.88812414944286 0.25000000000000 0.27746993926017 15.999 15 O 0.38812414944286 0.25000000000000 0.22253006073983 15.999 16 O 0.11187585055714 0.75000000000000 0.72253006073983 15.999 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *21 Ge 0.09820520293036 0.75000000000000 0.05130519891144 72.640 22 Ge 0.40179479706964 0.25000000000000 0.55130519891144 72.640 23 Ge 0.90179479706964 0.25000000000000 0.94869480108856 72.640 24 Ge 0.59820520293036 0.75000000000000 0.44869480108856 72.640 *25 Er 0.77693943921543 0.75000000000000 0.00737337806076 167.259 26 Er 0.72306056078457 0.25000000000000 0.50737337806076 167.259 27 Er 0.22306056078456 0.25000000000000 0.99262662193924 167.259 28 Er 0.27693943921544 0.75000000000000 0.49262662193924 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.364768360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.250883300000000 Atomic positions (fractional): *1 O 0.82417842206536 0.04029425900915 0.79254163547879 15.999 > 1 2 O 0.67582157793464 0.95970574099085 0.29254163547879 15.999 > 2 3 O 0.17582157793464 0.54029425900915 0.20745836452121 15.999 > 3 4 O 0.32417842206536 0.45970574099085 0.70745836452121 15.999 > 4 5 O 0.17582157793464 0.95970574099085 0.20745836452121 15.999 > 5 6 O 0.32417842206536 0.04029425900915 0.70745836452121 15.999 > 6 7 O 0.82417842206536 0.45970574099085 0.79254163547879 15.999 > 7 8 O 0.67582157793464 0.54029425900915 0.29254163547879 15.999 > 8 *9 O 0.95389639278606 0.75000000000000 0.17065266817950 15.999 > 9 10 O 0.54610360721394 0.25000000000000 0.67065266817950 15.999 > 10 11 O 0.04610360721394 0.25000000000000 0.82934733182050 15.999 > 11 12 O 0.45389639278606 0.75000000000000 0.32934733182050 15.999 > 12 *13 O 0.61187585055714 0.75000000000000 0.77746993926017 15.999 > 13 14 O 0.88812414944286 0.25000000000000 0.27746993926017 15.999 > 14 15 O 0.38812414944286 0.25000000000000 0.22253006073983 15.999 > 15 16 O 0.11187585055714 0.75000000000000 0.72253006073983 15.999 > 16 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 19 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 20 *21 Ge 0.09820520293036 0.75000000000000 0.05130519891144 72.640 > 21 22 Ge 0.40179479706964 0.25000000000000 0.55130519891144 72.640 > 22 23 Ge 0.90179479706964 0.25000000000000 0.94869480108856 72.640 > 23 24 Ge 0.59820520293036 0.75000000000000 0.44869480108856 72.640 > 24 *25 Er 0.77693943921543 0.75000000000000 0.00737337806076 167.259 > 25 26 Er 0.72306056078457 0.25000000000000 0.50737337806076 167.259 > 26 27 Er 0.22306056078456 0.25000000000000 0.99262662193924 167.259 > 27 28 Er 0.27693943921544 0.75000000000000 0.49262662193924 167.259 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.729536720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.501766600000000 Atomic positions (fractional): *1 O 0.82417842206536 0.02014712950457 0.39627081773940 15.999 > 1 2 O 0.82417842206536 0.52014712950457 0.39627081773940 15.999 > 1 3 O 0.82417842206536 0.02014712950457 0.89627081773940 15.999 > 1 4 O 0.82417842206536 0.52014712950457 0.89627081773940 15.999 > 1 5 O 0.67582157793464 0.47985287049543 0.14627081773940 15.999 > 2 6 O 0.67582157793464 0.97985287049543 0.14627081773940 15.999 > 2 7 O 0.67582157793464 0.47985287049543 0.64627081773940 15.999 > 2 8 O 0.67582157793464 0.97985287049543 0.64627081773940 15.999 > 2 9 O 0.17582157793464 0.27014712950457 0.10372918226060 15.999 > 3 10 O 0.17582157793464 0.77014712950457 0.10372918226060 15.999 > 3 11 O 0.17582157793464 0.27014712950457 0.60372918226060 15.999 > 3 12 O 0.17582157793464 0.77014712950457 0.60372918226060 15.999 > 3 13 O 0.32417842206536 0.22985287049543 0.35372918226060 15.999 > 4 14 O 0.32417842206536 0.72985287049543 0.35372918226060 15.999 > 4 15 O 0.32417842206536 0.22985287049543 0.85372918226060 15.999 > 4 16 O 0.32417842206536 0.72985287049543 0.85372918226060 15.999 > 4 17 O 0.17582157793464 0.47985287049543 0.10372918226060 15.999 > 5 18 O 0.17582157793464 0.97985287049543 0.10372918226060 15.999 > 5 19 O 0.17582157793464 0.47985287049543 0.60372918226060 15.999 > 5 20 O 0.17582157793464 0.97985287049543 0.60372918226060 15.999 > 5 21 O 0.32417842206536 0.02014712950457 0.35372918226060 15.999 > 6 22 O 0.32417842206536 0.52014712950457 0.35372918226060 15.999 > 6 23 O 0.32417842206536 0.02014712950457 0.85372918226060 15.999 > 6 24 O 0.32417842206536 0.52014712950457 0.85372918226060 15.999 > 6 25 O 0.82417842206536 0.22985287049543 0.39627081773940 15.999 > 7 26 O 0.82417842206536 0.72985287049543 0.39627081773940 15.999 > 7 27 O 0.82417842206536 0.22985287049543 0.89627081773940 15.999 > 7 28 O 0.82417842206536 0.72985287049543 0.89627081773940 15.999 > 7 29 O 0.67582157793464 0.27014712950457 0.14627081773940 15.999 > 8 30 O 0.67582157793464 0.77014712950457 0.14627081773940 15.999 > 8 31 O 0.67582157793464 0.27014712950457 0.64627081773940 15.999 > 8 32 O 0.67582157793464 0.77014712950457 0.64627081773940 15.999 > 8 *33 O 0.95389639278606 0.37500000000000 0.08532633408975 15.999 > 9 34 O 0.95389639278606 0.87500000000000 0.08532633408975 15.999 > 9 35 O 0.95389639278606 0.37500000000000 0.58532633408975 15.999 > 9 36 O 0.95389639278606 0.87500000000000 0.58532633408975 15.999 > 9 37 O 0.54610360721394 0.12500000000000 0.33532633408975 15.999 > 10 38 O 0.54610360721394 0.62500000000000 0.33532633408975 15.999 > 10 39 O 0.54610360721394 0.12500000000000 0.83532633408975 15.999 > 10 40 O 0.54610360721394 0.62500000000000 0.83532633408975 15.999 > 10 41 O 0.04610360721394 0.12500000000000 0.41467366591025 15.999 > 11 42 O 0.04610360721394 0.62500000000000 0.41467366591025 15.999 > 11 43 O 0.04610360721394 0.12500000000000 0.91467366591025 15.999 > 11 44 O 0.04610360721394 0.62500000000000 0.91467366591025 15.999 > 11 45 O 0.45389639278606 0.37500000000000 0.16467366591025 15.999 > 12 46 O 0.45389639278606 0.87500000000000 0.16467366591025 15.999 > 12 47 O 0.45389639278606 0.37500000000000 0.66467366591025 15.999 > 12 48 O 0.45389639278606 0.87500000000000 0.66467366591025 15.999 > 12 *49 O 0.61187585055714 0.37500000000000 0.38873496963008 15.999 > 13 50 O 0.61187585055714 0.87500000000000 0.38873496963008 15.999 > 13 51 O 0.61187585055714 0.37500000000000 0.88873496963008 15.999 > 13 52 O 0.61187585055714 0.87500000000000 0.88873496963008 15.999 > 13 53 O 0.88812414944286 0.12500000000000 0.13873496963008 15.999 > 14 54 O 0.88812414944286 0.62500000000000 0.13873496963008 15.999 > 14 55 O 0.88812414944286 0.12500000000000 0.63873496963008 15.999 > 14 56 O 0.88812414944286 0.62500000000000 0.63873496963008 15.999 > 14 57 O 0.38812414944286 0.12500000000000 0.11126503036992 15.999 > 15 58 O 0.38812414944286 0.62500000000000 0.11126503036992 15.999 > 15 59 O 0.38812414944286 0.12500000000000 0.61126503036992 15.999 > 15 60 O 0.38812414944286 0.62500000000000 0.61126503036992 15.999 > 15 61 O 0.11187585055714 0.37500000000000 0.36126503036992 15.999 > 16 62 O 0.11187585055714 0.87500000000000 0.36126503036992 15.999 > 16 63 O 0.11187585055714 0.37500000000000 0.86126503036992 15.999 > 16 64 O 0.11187585055714 0.87500000000000 0.86126503036992 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 17 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 17 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 17 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 18 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 18 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 18 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 19 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 19 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 19 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 19 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 20 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 20 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 20 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 20 *81 Ge 0.09820520293036 0.37500000000000 0.02565259945572 72.640 > 21 82 Ge 0.09820520293036 0.87500000000000 0.02565259945572 72.640 > 21 83 Ge 0.09820520293036 0.37500000000000 0.52565259945572 72.640 > 21 84 Ge 0.09820520293036 0.87500000000000 0.52565259945572 72.640 > 21 85 Ge 0.40179479706964 0.12500000000000 0.27565259945572 72.640 > 22 86 Ge 0.40179479706964 0.62500000000000 0.27565259945572 72.640 > 22 87 Ge 0.40179479706964 0.12500000000000 0.77565259945572 72.640 > 22 88 Ge 0.40179479706964 0.62500000000000 0.77565259945572 72.640 > 22 89 Ge 0.90179479706964 0.12500000000000 0.47434740054428 72.640 > 23 90 Ge 0.90179479706964 0.62500000000000 0.47434740054428 72.640 > 23 91 Ge 0.90179479706964 0.12500000000000 0.97434740054428 72.640 > 23 92 Ge 0.90179479706964 0.62500000000000 0.97434740054428 72.640 > 23 93 Ge 0.59820520293036 0.37500000000000 0.22434740054428 72.640 > 24 94 Ge 0.59820520293036 0.87500000000000 0.22434740054428 72.640 > 24 95 Ge 0.59820520293036 0.37500000000000 0.72434740054428 72.640 > 24 96 Ge 0.59820520293036 0.87500000000000 0.72434740054428 72.640 > 24 *97 Er 0.77693943921543 0.37500000000000 0.00368668903038 167.259 > 25 98 Er 0.77693943921543 0.87500000000000 0.00368668903038 167.259 > 25 99 Er 0.77693943921543 0.37500000000000 0.50368668903038 167.259 > 25 100 Er 0.77693943921543 0.87500000000000 0.50368668903038 167.259 > 25 101 Er 0.72306056078457 0.12500000000000 0.25368668903038 167.259 > 26 102 Er 0.72306056078457 0.62500000000000 0.25368668903038 167.259 > 26 103 Er 0.72306056078457 0.12500000000000 0.75368668903038 167.259 > 26 104 Er 0.72306056078457 0.62500000000000 0.75368668903038 167.259 > 26 105 Er 0.22306056078456 0.12500000000000 0.49631331096962 167.259 > 27 106 Er 0.22306056078456 0.62500000000000 0.49631331096962 167.259 > 27 107 Er 0.22306056078456 0.12500000000000 0.99631331096962 167.259 > 27 108 Er 0.22306056078456 0.62500000000000 0.99631331096962 167.259 > 27 109 Er 0.27693943921544 0.37500000000000 0.24631331096962 167.259 > 28 110 Er 0.27693943921544 0.87500000000000 0.24631331096962 167.259 > 28 111 Er 0.27693943921544 0.37500000000000 0.74631331096962 167.259 > 28 112 Er 0.27693943921544 0.87500000000000 0.74631331096962 167.259 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3956626 0.0000000 0.0000000 0.0000000 3.2710593 0.0000000 0.0000000 0.0000000 3.2217402 -------------------------- Born effective charges -------------------------- 1 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 2 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 3 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 4 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 5 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 6 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 7 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 8 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 9 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 10 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 11 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 12 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 13 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 14 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 15 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 16 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 17 Na 1.0446269 -0.1562823 -0.0014944 -0.1036692 0.9788979 0.0653945 0.0124200 0.0288099 1.1952173 18 Na 1.0446269 -0.1562823 0.0014944 -0.1036692 0.9788979 -0.0653945 -0.0124200 -0.0288099 1.1952173 19 Na 1.0446269 0.1562823 -0.0014944 0.1036692 0.9788979 -0.0653945 0.0124200 -0.0288099 1.1952173 20 Na 1.0446269 0.1562823 0.0014944 0.1036692 0.9788979 0.0653945 -0.0124200 0.0288099 1.1952173 21 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 22 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 23 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 24 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 25 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 26 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 27 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 28 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 ---------------------------------------------------------------------------- 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: 3.054 Solver_block: 200 / 480 - Time: 3.069 Solver_block: 300 / 480 - Time: 3.070 Solver_block: 400 / 480 - Time: 3.070 Solver_block: 480 / 480 - Time: 2.482 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.797 --------------------------------- 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 2026-01-08 03:23:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:23:40]------------------------- 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 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.364768360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.250883300000000 Atomic positions (fractional): 1 O 0.82417842206536 0.04029425900915 0.79254163547879 15.999 2 O 0.67582157793464 0.95970574099085 0.29254163547879 15.999 3 O 0.17582157793464 0.54029425900915 0.20745836452121 15.999 4 O 0.32417842206536 0.45970574099085 0.70745836452121 15.999 5 O 0.17582157793464 0.95970574099085 0.20745836452121 15.999 6 O 0.32417842206536 0.04029425900915 0.70745836452121 15.999 7 O 0.82417842206536 0.45970574099085 0.79254163547879 15.999 8 O 0.67582157793464 0.54029425900915 0.29254163547879 15.999 9 O 0.95389639278606 0.75000000000000 0.17065266817950 15.999 10 O 0.54610360721394 0.25000000000000 0.67065266817950 15.999 11 O 0.04610360721394 0.25000000000000 0.82934733182050 15.999 12 O 0.45389639278606 0.75000000000000 0.32934733182050 15.999 13 O 0.61187585055714 0.75000000000000 0.77746993926017 15.999 14 O 0.88812414944286 0.25000000000000 0.27746993926017 15.999 15 O 0.38812414944286 0.25000000000000 0.22253006073983 15.999 16 O 0.11187585055714 0.75000000000000 0.72253006073983 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09820520293036 0.75000000000000 0.05130519891144 72.640 22 Ge 0.40179479706964 0.25000000000000 0.55130519891144 72.640 23 Ge 0.90179479706964 0.25000000000000 0.94869480108856 72.640 24 Ge 0.59820520293036 0.75000000000000 0.44869480108856 72.640 25 Er 0.77693943921543 0.75000000000000 0.00737337806076 167.259 26 Er 0.72306056078457 0.25000000000000 0.50737337806076 167.259 27 Er 0.22306056078456 0.25000000000000 0.99262662193924 167.259 28 Er 0.27693943921544 0.75000000000000 0.49262662193924 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.729536720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.501766600000000 Atomic positions (fractional): 1 O 0.82417842206536 0.02014712950457 0.39627081773940 15.999 > 1 2 O 0.82417842206536 0.52014712950457 0.39627081773940 15.999 > 1 3 O 0.82417842206536 0.02014712950457 0.89627081773940 15.999 > 1 4 O 0.82417842206536 0.52014712950457 0.89627081773940 15.999 > 1 5 O 0.67582157793464 0.47985287049543 0.14627081773940 15.999 > 5 6 O 0.67582157793464 0.97985287049543 0.14627081773940 15.999 > 5 7 O 0.67582157793464 0.47985287049543 0.64627081773940 15.999 > 5 8 O 0.67582157793464 0.97985287049543 0.64627081773940 15.999 > 5 9 O 0.17582157793464 0.27014712950457 0.10372918226060 15.999 > 9 10 O 0.17582157793464 0.77014712950457 0.10372918226060 15.999 > 9 11 O 0.17582157793464 0.27014712950457 0.60372918226060 15.999 > 9 12 O 0.17582157793464 0.77014712950457 0.60372918226060 15.999 > 9 13 O 0.32417842206536 0.22985287049543 0.35372918226060 15.999 > 13 14 O 0.32417842206536 0.72985287049543 0.35372918226060 15.999 > 13 15 O 0.32417842206536 0.22985287049543 0.85372918226060 15.999 > 13 16 O 0.32417842206536 0.72985287049543 0.85372918226060 15.999 > 13 17 O 0.17582157793464 0.47985287049543 0.10372918226060 15.999 > 17 18 O 0.17582157793464 0.97985287049543 0.10372918226060 15.999 > 17 19 O 0.17582157793464 0.47985287049543 0.60372918226060 15.999 > 17 20 O 0.17582157793464 0.97985287049543 0.60372918226060 15.999 > 17 21 O 0.32417842206536 0.02014712950457 0.35372918226060 15.999 > 21 22 O 0.32417842206536 0.52014712950457 0.35372918226060 15.999 > 21 23 O 0.32417842206536 0.02014712950457 0.85372918226060 15.999 > 21 24 O 0.32417842206536 0.52014712950457 0.85372918226060 15.999 > 21 25 O 0.82417842206536 0.22985287049543 0.39627081773940 15.999 > 25 26 O 0.82417842206536 0.72985287049543 0.39627081773940 15.999 > 25 27 O 0.82417842206536 0.22985287049543 0.89627081773940 15.999 > 25 28 O 0.82417842206536 0.72985287049543 0.89627081773940 15.999 > 25 29 O 0.67582157793464 0.27014712950457 0.14627081773940 15.999 > 29 30 O 0.67582157793464 0.77014712950457 0.14627081773940 15.999 > 29 31 O 0.67582157793464 0.27014712950457 0.64627081773940 15.999 > 29 32 O 0.67582157793464 0.77014712950457 0.64627081773940 15.999 > 29 33 O 0.95389639278606 0.37500000000000 0.08532633408975 15.999 > 33 34 O 0.95389639278606 0.87500000000000 0.08532633408975 15.999 > 33 35 O 0.95389639278606 0.37500000000000 0.58532633408975 15.999 > 33 36 O 0.95389639278606 0.87500000000000 0.58532633408975 15.999 > 33 37 O 0.54610360721394 0.12500000000000 0.33532633408975 15.999 > 37 38 O 0.54610360721394 0.62500000000000 0.33532633408975 15.999 > 37 39 O 0.54610360721394 0.12500000000000 0.83532633408975 15.999 > 37 40 O 0.54610360721394 0.62500000000000 0.83532633408975 15.999 > 37 41 O 0.04610360721394 0.12500000000000 0.41467366591025 15.999 > 41 42 O 0.04610360721394 0.62500000000000 0.41467366591025 15.999 > 41 43 O 0.04610360721394 0.12500000000000 0.91467366591025 15.999 > 41 44 O 0.04610360721394 0.62500000000000 0.91467366591025 15.999 > 41 45 O 0.45389639278606 0.37500000000000 0.16467366591025 15.999 > 45 46 O 0.45389639278606 0.87500000000000 0.16467366591025 15.999 > 45 47 O 0.45389639278606 0.37500000000000 0.66467366591025 15.999 > 45 48 O 0.45389639278606 0.87500000000000 0.66467366591025 15.999 > 45 49 O 0.61187585055714 0.37500000000000 0.38873496963008 15.999 > 49 50 O 0.61187585055714 0.87500000000000 0.38873496963008 15.999 > 49 51 O 0.61187585055714 0.37500000000000 0.88873496963008 15.999 > 49 52 O 0.61187585055714 0.87500000000000 0.88873496963008 15.999 > 49 53 O 0.88812414944286 0.12500000000000 0.13873496963008 15.999 > 53 54 O 0.88812414944286 0.62500000000000 0.13873496963008 15.999 > 53 55 O 0.88812414944286 0.12500000000000 0.63873496963008 15.999 > 53 56 O 0.88812414944286 0.62500000000000 0.63873496963008 15.999 > 53 57 O 0.38812414944286 0.12500000000000 0.11126503036992 15.999 > 57 58 O 0.38812414944286 0.62500000000000 0.11126503036992 15.999 > 57 59 O 0.38812414944286 0.12500000000000 0.61126503036992 15.999 > 57 60 O 0.38812414944286 0.62500000000000 0.61126503036992 15.999 > 57 61 O 0.11187585055714 0.37500000000000 0.36126503036992 15.999 > 61 62 O 0.11187585055714 0.87500000000000 0.36126503036992 15.999 > 61 63 O 0.11187585055714 0.37500000000000 0.86126503036992 15.999 > 61 64 O 0.11187585055714 0.87500000000000 0.86126503036992 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09820520293036 0.37500000000000 0.02565259945572 72.640 > 81 82 Ge 0.09820520293036 0.87500000000000 0.02565259945572 72.640 > 81 83 Ge 0.09820520293036 0.37500000000000 0.52565259945572 72.640 > 81 84 Ge 0.09820520293036 0.87500000000000 0.52565259945572 72.640 > 81 85 Ge 0.40179479706964 0.12500000000000 0.27565259945572 72.640 > 85 86 Ge 0.40179479706964 0.62500000000000 0.27565259945572 72.640 > 85 87 Ge 0.40179479706964 0.12500000000000 0.77565259945572 72.640 > 85 88 Ge 0.40179479706964 0.62500000000000 0.77565259945572 72.640 > 85 89 Ge 0.90179479706964 0.12500000000000 0.47434740054428 72.640 > 89 90 Ge 0.90179479706964 0.62500000000000 0.47434740054428 72.640 > 89 91 Ge 0.90179479706964 0.12500000000000 0.97434740054428 72.640 > 89 92 Ge 0.90179479706964 0.62500000000000 0.97434740054428 72.640 > 89 93 Ge 0.59820520293036 0.37500000000000 0.22434740054428 72.640 > 93 94 Ge 0.59820520293036 0.87500000000000 0.22434740054428 72.640 > 93 95 Ge 0.59820520293036 0.37500000000000 0.72434740054428 72.640 > 93 96 Ge 0.59820520293036 0.87500000000000 0.72434740054428 72.640 > 93 97 Er 0.77693943921543 0.37500000000000 0.00368668903038 167.259 > 97 98 Er 0.77693943921543 0.87500000000000 0.00368668903038 167.259 > 97 99 Er 0.77693943921543 0.37500000000000 0.50368668903038 167.259 > 97 100 Er 0.77693943921543 0.87500000000000 0.50368668903038 167.259 > 97 101 Er 0.72306056078457 0.12500000000000 0.25368668903038 167.259 > 101 102 Er 0.72306056078457 0.62500000000000 0.25368668903038 167.259 > 101 103 Er 0.72306056078457 0.12500000000000 0.75368668903038 167.259 > 101 104 Er 0.72306056078457 0.62500000000000 0.75368668903038 167.259 > 101 105 Er 0.22306056078456 0.12500000000000 0.49631331096962 167.259 > 105 106 Er 0.22306056078456 0.62500000000000 0.49631331096962 167.259 > 105 107 Er 0.22306056078456 0.12500000000000 0.99631331096962 167.259 > 105 108 Er 0.22306056078456 0.62500000000000 0.99631331096962 167.259 > 105 109 Er 0.27693943921544 0.37500000000000 0.24631331096962 167.259 > 109 110 Er 0.27693943921544 0.87500000000000 0.24631331096962 167.259 > 109 111 Er 0.27693943921544 0.37500000000000 0.74631331096962 167.259 > 109 112 Er 0.27693943921544 0.87500000000000 0.74631331096962 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3956626 0.0000000 0.0000000 0.0000000 3.2710593 0.0000000 0.0000000 0.0000000 3.2217402 -------------------------- Born effective charges -------------------------- 1 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 2 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 3 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 4 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 5 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 6 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 7 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 8 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 9 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 10 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 11 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 12 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 13 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 14 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 15 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 16 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 17 Na 1.0446269 -0.1562823 -0.0014944 -0.1036692 0.9788979 0.0653945 0.0124200 0.0288099 1.1952173 18 Na 1.0446269 -0.1562823 0.0014944 -0.1036692 0.9788979 -0.0653945 -0.0124200 -0.0288099 1.1952173 19 Na 1.0446269 0.1562823 -0.0014944 0.1036692 0.9788979 -0.0653945 0.0124200 -0.0288099 1.1952173 20 Na 1.0446269 0.1562823 0.0014944 0.1036692 0.9788979 0.0653945 -0.0124200 0.0288099 1.1952173 21 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 22 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 23 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 24 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 25 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 26 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 27 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 28 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:24:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:24:05]------------------------- 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 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.364768360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.250883300000000 Atomic positions (fractional): 1 O 0.82417842206536 0.04029425900915 0.79254163547879 15.999 2 O 0.67582157793464 0.95970574099085 0.29254163547879 15.999 3 O 0.17582157793464 0.54029425900915 0.20745836452121 15.999 4 O 0.32417842206536 0.45970574099085 0.70745836452121 15.999 5 O 0.17582157793464 0.95970574099085 0.20745836452121 15.999 6 O 0.32417842206536 0.04029425900915 0.70745836452121 15.999 7 O 0.82417842206536 0.45970574099085 0.79254163547879 15.999 8 O 0.67582157793464 0.54029425900915 0.29254163547879 15.999 9 O 0.95389639278606 0.75000000000000 0.17065266817950 15.999 10 O 0.54610360721394 0.25000000000000 0.67065266817950 15.999 11 O 0.04610360721394 0.25000000000000 0.82934733182050 15.999 12 O 0.45389639278606 0.75000000000000 0.32934733182050 15.999 13 O 0.61187585055714 0.75000000000000 0.77746993926017 15.999 14 O 0.88812414944286 0.25000000000000 0.27746993926017 15.999 15 O 0.38812414944286 0.25000000000000 0.22253006073983 15.999 16 O 0.11187585055714 0.75000000000000 0.72253006073983 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09820520293036 0.75000000000000 0.05130519891144 72.640 22 Ge 0.40179479706964 0.25000000000000 0.55130519891144 72.640 23 Ge 0.90179479706964 0.25000000000000 0.94869480108856 72.640 24 Ge 0.59820520293036 0.75000000000000 0.44869480108856 72.640 25 Er 0.77693943921543 0.75000000000000 0.00737337806076 167.259 26 Er 0.72306056078457 0.25000000000000 0.50737337806076 167.259 27 Er 0.22306056078456 0.25000000000000 0.99262662193924 167.259 28 Er 0.27693943921544 0.75000000000000 0.49262662193924 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.327516590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.729536720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.501766600000000 Atomic positions (fractional): 1 O 0.82417842206536 0.02014712950457 0.39627081773940 15.999 > 1 2 O 0.82417842206536 0.52014712950457 0.39627081773940 15.999 > 1 3 O 0.82417842206536 0.02014712950457 0.89627081773940 15.999 > 1 4 O 0.82417842206536 0.52014712950457 0.89627081773940 15.999 > 1 5 O 0.67582157793464 0.47985287049543 0.14627081773940 15.999 > 5 6 O 0.67582157793464 0.97985287049543 0.14627081773940 15.999 > 5 7 O 0.67582157793464 0.47985287049543 0.64627081773940 15.999 > 5 8 O 0.67582157793464 0.97985287049543 0.64627081773940 15.999 > 5 9 O 0.17582157793464 0.27014712950457 0.10372918226060 15.999 > 9 10 O 0.17582157793464 0.77014712950457 0.10372918226060 15.999 > 9 11 O 0.17582157793464 0.27014712950457 0.60372918226060 15.999 > 9 12 O 0.17582157793464 0.77014712950457 0.60372918226060 15.999 > 9 13 O 0.32417842206536 0.22985287049543 0.35372918226060 15.999 > 13 14 O 0.32417842206536 0.72985287049543 0.35372918226060 15.999 > 13 15 O 0.32417842206536 0.22985287049543 0.85372918226060 15.999 > 13 16 O 0.32417842206536 0.72985287049543 0.85372918226060 15.999 > 13 17 O 0.17582157793464 0.47985287049543 0.10372918226060 15.999 > 17 18 O 0.17582157793464 0.97985287049543 0.10372918226060 15.999 > 17 19 O 0.17582157793464 0.47985287049543 0.60372918226060 15.999 > 17 20 O 0.17582157793464 0.97985287049543 0.60372918226060 15.999 > 17 21 O 0.32417842206536 0.02014712950457 0.35372918226060 15.999 > 21 22 O 0.32417842206536 0.52014712950457 0.35372918226060 15.999 > 21 23 O 0.32417842206536 0.02014712950457 0.85372918226060 15.999 > 21 24 O 0.32417842206536 0.52014712950457 0.85372918226060 15.999 > 21 25 O 0.82417842206536 0.22985287049543 0.39627081773940 15.999 > 25 26 O 0.82417842206536 0.72985287049543 0.39627081773940 15.999 > 25 27 O 0.82417842206536 0.22985287049543 0.89627081773940 15.999 > 25 28 O 0.82417842206536 0.72985287049543 0.89627081773940 15.999 > 25 29 O 0.67582157793464 0.27014712950457 0.14627081773940 15.999 > 29 30 O 0.67582157793464 0.77014712950457 0.14627081773940 15.999 > 29 31 O 0.67582157793464 0.27014712950457 0.64627081773940 15.999 > 29 32 O 0.67582157793464 0.77014712950457 0.64627081773940 15.999 > 29 33 O 0.95389639278606 0.37500000000000 0.08532633408975 15.999 > 33 34 O 0.95389639278606 0.87500000000000 0.08532633408975 15.999 > 33 35 O 0.95389639278606 0.37500000000000 0.58532633408975 15.999 > 33 36 O 0.95389639278606 0.87500000000000 0.58532633408975 15.999 > 33 37 O 0.54610360721394 0.12500000000000 0.33532633408975 15.999 > 37 38 O 0.54610360721394 0.62500000000000 0.33532633408975 15.999 > 37 39 O 0.54610360721394 0.12500000000000 0.83532633408975 15.999 > 37 40 O 0.54610360721394 0.62500000000000 0.83532633408975 15.999 > 37 41 O 0.04610360721394 0.12500000000000 0.41467366591025 15.999 > 41 42 O 0.04610360721394 0.62500000000000 0.41467366591025 15.999 > 41 43 O 0.04610360721394 0.12500000000000 0.91467366591025 15.999 > 41 44 O 0.04610360721394 0.62500000000000 0.91467366591025 15.999 > 41 45 O 0.45389639278606 0.37500000000000 0.16467366591025 15.999 > 45 46 O 0.45389639278606 0.87500000000000 0.16467366591025 15.999 > 45 47 O 0.45389639278606 0.37500000000000 0.66467366591025 15.999 > 45 48 O 0.45389639278606 0.87500000000000 0.66467366591025 15.999 > 45 49 O 0.61187585055714 0.37500000000000 0.38873496963008 15.999 > 49 50 O 0.61187585055714 0.87500000000000 0.38873496963008 15.999 > 49 51 O 0.61187585055714 0.37500000000000 0.88873496963008 15.999 > 49 52 O 0.61187585055714 0.87500000000000 0.88873496963008 15.999 > 49 53 O 0.88812414944286 0.12500000000000 0.13873496963008 15.999 > 53 54 O 0.88812414944286 0.62500000000000 0.13873496963008 15.999 > 53 55 O 0.88812414944286 0.12500000000000 0.63873496963008 15.999 > 53 56 O 0.88812414944286 0.62500000000000 0.63873496963008 15.999 > 53 57 O 0.38812414944286 0.12500000000000 0.11126503036992 15.999 > 57 58 O 0.38812414944286 0.62500000000000 0.11126503036992 15.999 > 57 59 O 0.38812414944286 0.12500000000000 0.61126503036992 15.999 > 57 60 O 0.38812414944286 0.62500000000000 0.61126503036992 15.999 > 57 61 O 0.11187585055714 0.37500000000000 0.36126503036992 15.999 > 61 62 O 0.11187585055714 0.87500000000000 0.36126503036992 15.999 > 61 63 O 0.11187585055714 0.37500000000000 0.86126503036992 15.999 > 61 64 O 0.11187585055714 0.87500000000000 0.86126503036992 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09820520293036 0.37500000000000 0.02565259945572 72.640 > 81 82 Ge 0.09820520293036 0.87500000000000 0.02565259945572 72.640 > 81 83 Ge 0.09820520293036 0.37500000000000 0.52565259945572 72.640 > 81 84 Ge 0.09820520293036 0.87500000000000 0.52565259945572 72.640 > 81 85 Ge 0.40179479706964 0.12500000000000 0.27565259945572 72.640 > 85 86 Ge 0.40179479706964 0.62500000000000 0.27565259945572 72.640 > 85 87 Ge 0.40179479706964 0.12500000000000 0.77565259945572 72.640 > 85 88 Ge 0.40179479706964 0.62500000000000 0.77565259945572 72.640 > 85 89 Ge 0.90179479706964 0.12500000000000 0.47434740054428 72.640 > 89 90 Ge 0.90179479706964 0.62500000000000 0.47434740054428 72.640 > 89 91 Ge 0.90179479706964 0.12500000000000 0.97434740054428 72.640 > 89 92 Ge 0.90179479706964 0.62500000000000 0.97434740054428 72.640 > 89 93 Ge 0.59820520293036 0.37500000000000 0.22434740054428 72.640 > 93 94 Ge 0.59820520293036 0.87500000000000 0.22434740054428 72.640 > 93 95 Ge 0.59820520293036 0.37500000000000 0.72434740054428 72.640 > 93 96 Ge 0.59820520293036 0.87500000000000 0.72434740054428 72.640 > 93 97 Er 0.77693943921543 0.37500000000000 0.00368668903038 167.259 > 97 98 Er 0.77693943921543 0.87500000000000 0.00368668903038 167.259 > 97 99 Er 0.77693943921543 0.37500000000000 0.50368668903038 167.259 > 97 100 Er 0.77693943921543 0.87500000000000 0.50368668903038 167.259 > 97 101 Er 0.72306056078457 0.12500000000000 0.25368668903038 167.259 > 101 102 Er 0.72306056078457 0.62500000000000 0.25368668903038 167.259 > 101 103 Er 0.72306056078457 0.12500000000000 0.75368668903038 167.259 > 101 104 Er 0.72306056078457 0.62500000000000 0.75368668903038 167.259 > 101 105 Er 0.22306056078456 0.12500000000000 0.49631331096962 167.259 > 105 106 Er 0.22306056078456 0.62500000000000 0.49631331096962 167.259 > 105 107 Er 0.22306056078456 0.12500000000000 0.99631331096962 167.259 > 105 108 Er 0.22306056078456 0.62500000000000 0.99631331096962 167.259 > 105 109 Er 0.27693943921544 0.37500000000000 0.24631331096962 167.259 > 109 110 Er 0.27693943921544 0.87500000000000 0.24631331096962 167.259 > 109 111 Er 0.27693943921544 0.37500000000000 0.74631331096962 167.259 > 109 112 Er 0.27693943921544 0.87500000000000 0.74631331096962 167.259 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3956626 0.0000000 0.0000000 0.0000000 3.2710593 0.0000000 0.0000000 0.0000000 3.2217402 -------------------------- Born effective charges -------------------------- 1 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 2 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 3 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 4 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 5 O -1.6697687 -0.2605861 -0.3239584 -0.3318340 -2.5704838 0.3915153 -0.3963552 0.3172807 -1.8437303 6 O -1.6697687 -0.2605861 0.3239584 -0.3318340 -2.5704838 -0.3915153 0.3963552 -0.3172807 -1.8437303 7 O -1.6697687 0.2605861 -0.3239584 0.3318340 -2.5704838 -0.3915153 -0.3963552 -0.3172807 -1.8437303 8 O -1.6697687 0.2605861 0.3239584 0.3318340 -2.5704838 0.3915153 0.3963552 0.3172807 -1.8437303 9 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 10 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 11 O -3.1254459 0.0000000 -0.0712546 0.0000000 -1.3862226 0.0000000 -0.1486269 0.0000000 -1.3552056 12 O -3.1254459 0.0000000 0.0712546 0.0000000 -1.3862226 0.0000000 0.1486269 0.0000000 -1.3552056 13 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 14 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 15 O -1.8909455 0.0000000 -0.5426870 0.0000000 -1.3192785 0.0000000 -0.6208765 0.0000000 -2.4223032 16 O -1.8909455 0.0000000 0.5426870 0.0000000 -1.3192785 0.0000000 0.6208765 0.0000000 -2.4223032 17 Na 1.0446269 -0.1562823 -0.0014944 -0.1036692 0.9788979 0.0653945 0.0124200 0.0288099 1.1952173 18 Na 1.0446269 -0.1562823 0.0014944 -0.1036692 0.9788979 -0.0653945 -0.0124200 -0.0288099 1.1952173 19 Na 1.0446269 0.1562823 -0.0014944 0.1036692 0.9788979 -0.0653945 0.0124200 -0.0288099 1.1952173 20 Na 1.0446269 0.1562823 0.0014944 0.1036692 0.9788979 0.0653945 -0.0124200 0.0288099 1.1952173 21 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 22 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 23 Ge 3.2964009 0.0000000 -0.1772996 0.0000000 2.9544836 0.0000000 0.1343155 0.0000000 2.9509266 24 Ge 3.2964009 0.0000000 0.1772996 0.0000000 2.9544836 0.0000000 -0.1343155 0.0000000 2.9509266 25 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 26 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 27 Er 4.0149011 0.0000000 0.1254607 0.0000000 3.9130872 0.0000000 0.1168976 0.0000000 3.3188254 28 Er 4.0149011 0.0000000 -0.1254607 0.0000000 3.9130872 0.0000000 -0.1168976 0.0000000 3.3188254 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) 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 8 10 ] 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: 0.57, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 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 1.795 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.651 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.285 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 13.564 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 15.208 ( 0.000 0.000 0.000) 0.000 16.045 ( 0.000 0.000 0.000) 0.000 18.609 ( 0.000 0.000 0.000) 0.000 18.639 ( 0.000 0.000 0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 20.445 ( 0.000 0.000 0.000) 0.000 20.568 ( 0.000 0.000 0.000) 0.000 21.148 ( 0.000 0.000 0.000) 0.000 21.214 ( 0.000 0.000 0.000) 0.000 22.034 ( 0.000 0.000 0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 22.577 ( 0.000 0.000 0.000) 0.000 22.699 ( 0.000 0.000 0.000) 0.000 22.960 ( 0.000 0.000 0.000) 0.000 23.045 ( 0.000 0.000 0.000) 0.000 23.300 ( 0.000 0.000 0.000) 0.000 24.527 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 28.192 0.000 0.000) 28.192 0.681 ( 30.022 0.000 0.000) 30.022 1.254 ( 53.670 0.000 0.000) 53.670 1.630 ( -13.953 0.000 0.000) 13.953 1.831 ( -15.324 0.000 0.000) 15.324 2.533 ( 5.785 0.000 0.000) 5.785 2.856 ( -7.931 0.000 0.000) 7.931 3.216 ( 7.677 0.000 0.000) 7.677 3.273 ( 0.210 0.000 0.000) 0.210 3.276 ( 2.597 0.000 0.000) 2.597 3.374 ( -29.712 0.000 0.000) 29.712 3.509 ( -4.055 0.000 0.000) 4.055 3.514 ( 8.859 0.000 0.000) 8.859 3.875 ( -5.977 0.000 0.000) 5.977 3.988 ( 2.114 0.000 0.000) 2.114 4.178 ( 6.120 0.000 0.000) 6.120 4.277 ( -8.273 0.000 0.000) 8.273 4.578 ( -7.561 0.000 0.000) 7.561 4.634 ( 8.113 0.000 0.000) 8.113 4.820 ( 6.566 0.000 0.000) 6.566 4.915 ( 1.919 0.000 0.000) 1.919 4.961 ( -0.592 0.000 0.000) 0.592 5.002 ( -4.324 0.000 0.000) 4.324 5.166 ( 1.630 0.000 0.000) 1.630 5.179 ( -6.602 0.000 0.000) 6.602 5.342 ( -8.047 0.000 0.000) 8.047 5.720 ( 4.366 0.000 0.000) 4.366 5.790 ( 3.276 0.000 0.000) 3.276 5.935 ( -0.961 0.000 0.000) 0.961 6.061 ( 10.953 0.000 0.000) 10.953 6.130 ( -6.432 0.000 0.000) 6.432 6.278 ( -2.098 0.000 0.000) 2.098 6.677 ( 3.766 0.000 0.000) 3.766 6.977 ( -4.940 0.000 0.000) 4.940 7.125 ( 8.545 0.000 0.000) 8.545 7.350 ( 1.135 0.000 0.000) 1.135 7.407 ( -0.316 0.000 0.000) 0.316 7.464 ( -4.544 0.000 0.000) 4.544 7.538 ( 9.341 0.000 0.000) 9.341 8.088 ( -11.721 0.000 0.000) 11.721 8.212 ( 1.637 0.000 0.000) 1.637 8.283 ( 0.243 0.000 0.000) 0.243 8.399 ( -1.764 0.000 0.000) 1.764 8.485 ( -2.336 0.000 0.000) 2.336 8.738 ( 7.787 0.000 0.000) 7.787 8.758 ( 11.607 0.000 0.000) 11.607 9.001 ( -3.108 0.000 0.000) 3.108 9.236 ( -0.134 0.000 0.000) 0.134 9.245 ( -0.507 0.000 0.000) 0.507 9.374 ( -11.505 0.000 0.000) 11.505 10.706 ( 2.415 0.000 0.000) 2.415 10.877 ( 3.090 0.000 0.000) 3.090 10.896 ( -5.159 0.000 0.000) 5.159 11.075 ( -4.434 0.000 0.000) 4.434 11.500 ( 7.671 0.000 0.000) 7.671 11.632 ( 4.541 0.000 0.000) 4.541 11.883 ( -6.544 0.000 0.000) 6.544 11.893 ( -8.462 0.000 0.000) 8.462 12.270 ( 7.209 0.000 0.000) 7.209 12.355 ( 1.340 0.000 0.000) 1.340 12.367 ( 7.009 0.000 0.000) 7.009 12.624 ( -3.434 0.000 0.000) 3.434 12.765 ( 0.329 0.000 0.000) 0.329 12.923 ( -4.293 0.000 0.000) 4.293 13.582 ( 1.591 0.000 0.000) 1.591 13.666 ( -1.411 0.000 0.000) 1.411 16.030 ( 0.192 0.000 0.000) 0.192 16.042 ( -0.241 0.000 0.000) 0.241 18.613 ( 0.376 0.000 0.000) 0.376 18.634 ( -0.383 0.000 0.000) 0.383 18.682 ( 0.202 0.000 0.000) 0.202 18.693 ( -0.186 0.000 0.000) 0.186 20.461 ( 1.423 0.000 0.000) 1.423 20.548 ( -1.713 0.000 0.000) 1.713 21.209 ( 5.403 0.000 0.000) 5.403 21.595 ( -10.122 0.000 0.000) 10.122 22.159 ( 7.996 0.000 0.000) 7.996 22.489 ( -6.223 0.000 0.000) 6.223 22.749 ( 2.921 0.000 0.000) 2.921 22.847 ( -1.806 0.000 0.000) 1.806 23.036 ( 5.441 0.000 0.000) 5.441 23.265 ( -3.209 0.000 0.000) 3.209 24.529 ( 0.109 0.000 0.000) 0.109 24.537 ( -0.202 0.000 0.000) 0.202 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -22.735 0.000 0.000) 22.735 1.218 ( 22.735 0.000 0.000) 22.735 1.304 ( -25.638 0.000 0.000) 25.638 1.304 ( 25.638 0.000 0.000) 25.638 2.458 ( -48.632 0.000 0.000) 48.632 2.458 ( 48.632 0.000 0.000) 48.632 2.684 ( -7.515 0.000 0.000) 7.515 2.684 ( 7.515 0.000 0.000) 7.515 3.299 ( -0.516 0.000 0.000) 0.516 3.299 ( 0.516 0.000 0.000) 0.516 3.381 ( -7.026 0.000 0.000) 7.026 3.381 ( 7.026 0.000 0.000) 7.026 3.727 ( -8.768 0.000 0.000) 8.768 3.727 ( 8.768 0.000 0.000) 8.768 4.096 ( -7.232 0.000 0.000) 7.232 4.096 ( 7.232 0.000 0.000) 7.232 4.367 ( -10.248 0.000 0.000) 10.248 4.367 ( 10.248 0.000 0.000) 10.248 4.823 ( -7.676 0.000 0.000) 7.676 4.823 ( 7.676 0.000 0.000) 7.676 4.945 ( -0.895 0.000 0.000) 0.895 4.945 ( 0.895 0.000 0.000) 0.895 5.018 ( -7.162 0.000 0.000) 7.162 5.018 ( 7.162 0.000 0.000) 7.162 5.218 ( -3.454 0.000 0.000) 3.454 5.218 ( 3.454 0.000 0.000) 3.454 5.808 ( -2.711 0.000 0.000) 2.711 5.808 ( 2.711 0.000 0.000) 2.711 5.980 ( -5.844 0.000 0.000) 5.844 5.980 ( 5.844 0.000 0.000) 5.844 6.215 ( -3.887 0.000 0.000) 3.887 6.215 ( 3.887 0.000 0.000) 3.887 6.825 ( -8.153 0.000 0.000) 8.153 6.825 ( 8.153 0.000 0.000) 8.153 7.321 ( -8.197 0.000 0.000) 8.197 7.321 ( 8.197 0.000 0.000) 8.197 7.381 ( -1.548 0.000 0.000) 1.548 7.381 ( 1.548 0.000 0.000) 1.548 7.803 ( -13.336 0.000 0.000) 13.336 7.803 ( 13.336 0.000 0.000) 13.336 8.257 ( -2.161 0.000 0.000) 2.161 8.257 ( 2.161 0.000 0.000) 2.161 8.421 ( -2.896 0.000 0.000) 2.896 8.421 ( 2.896 0.000 0.000) 2.896 8.898 ( -6.208 0.000 0.000) 6.208 8.898 ( 6.208 0.000 0.000) 6.208 9.063 ( -15.190 0.000 0.000) 15.190 9.063 ( 15.190 0.000 0.000) 15.190 9.236 ( -0.231 0.000 0.000) 0.231 9.236 ( 0.231 0.000 0.000) 0.231 10.784 ( -4.540 0.000 0.000) 4.540 10.784 ( 4.540 0.000 0.000) 4.540 10.967 ( -4.818 0.000 0.000) 4.818 10.967 ( 4.818 0.000 0.000) 4.818 11.693 ( -9.282 0.000 0.000) 9.282 11.693 ( 9.282 0.000 0.000) 9.282 11.748 ( -5.753 0.000 0.000) 5.753 11.748 ( 5.753 0.000 0.000) 5.753 12.368 ( -1.200 0.000 0.000) 1.200 12.368 ( 1.200 0.000 0.000) 1.200 12.517 ( -6.070 0.000 0.000) 6.070 12.517 ( 6.070 0.000 0.000) 6.070 12.815 ( -4.406 0.000 0.000) 4.406 12.815 ( 4.406 0.000 0.000) 4.406 13.625 ( -2.100 0.000 0.000) 2.100 13.625 ( 2.100 0.000 0.000) 2.100 16.036 ( -0.314 0.000 0.000) 0.314 16.036 ( 0.314 0.000 0.000) 0.314 18.624 ( -0.534 0.000 0.000) 0.534 18.624 ( 0.534 0.000 0.000) 0.534 18.688 ( -0.272 0.000 0.000) 0.272 18.688 ( 0.272 0.000 0.000) 0.272 20.502 ( -2.162 0.000 0.000) 2.162 20.502 ( 2.162 0.000 0.000) 2.162 21.374 ( -9.209 0.000 0.000) 9.209 21.374 ( 9.209 0.000 0.000) 9.209 22.334 ( -7.636 0.000 0.000) 7.636 22.334 ( 7.636 0.000 0.000) 7.636 22.805 ( -2.135 0.000 0.000) 2.135 22.805 ( 2.135 0.000 0.000) 2.135 23.164 ( -5.617 0.000 0.000) 5.617 23.164 ( 5.617 0.000 0.000) 5.617 24.532 ( -0.224 0.000 0.000) 0.224 24.532 ( 0.224 0.000 0.000) 0.224 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 26.969 0.000) 26.969 0.584 ( 0.000 29.409 0.000) 29.409 0.999 ( 0.000 49.197 0.000) 49.197 2.027 ( 0.000 21.124 0.000) 21.124 2.080 ( 0.000 4.812 0.000) 4.812 2.495 ( 0.000 3.409 0.000) 3.409 2.948 ( 0.000 -4.953 0.000) 4.953 3.118 ( 0.000 -4.317 0.000) 4.317 3.182 ( 0.000 -7.813 0.000) 7.813 3.270 ( 0.000 7.986 0.000) 7.986 3.482 ( 0.000 7.181 0.000) 7.181 3.586 ( 0.000 -8.118 0.000) 8.118 3.594 ( 0.000 1.835 0.000) 1.835 3.855 ( 0.000 -2.829 0.000) 2.829 4.096 ( 0.000 0.610 0.000) 0.610 4.181 ( 0.000 9.409 0.000) 9.409 4.435 ( 0.000 -3.198 0.000) 3.198 4.698 ( 0.000 -2.825 0.000) 2.825 4.760 ( 0.000 -8.853 0.000) 8.853 4.779 ( 0.000 0.435 0.000) 0.435 4.807 ( 0.000 -2.918 0.000) 2.918 4.866 ( 0.000 8.230 0.000) 8.230 5.079 ( 0.000 6.242 0.000) 6.242 5.084 ( 0.000 -4.748 0.000) 4.748 5.337 ( 0.000 -11.723 0.000) 11.723 5.342 ( 0.000 7.574 0.000) 7.574 5.761 ( 0.000 7.027 0.000) 7.027 5.796 ( 0.000 4.492 0.000) 4.492 5.845 ( 0.000 0.290 0.000) 0.290 6.068 ( 0.000 10.682 0.000) 10.682 6.315 ( 0.000 7.851 0.000) 7.851 6.322 ( 0.000 2.095 0.000) 2.095 6.628 ( 0.000 -1.292 0.000) 1.292 6.847 ( 0.000 -0.848 0.000) 0.848 6.962 ( 0.000 -3.930 0.000) 3.930 7.438 ( 0.000 -5.398 0.000) 5.398 7.453 ( 0.000 -0.248 0.000) 0.248 7.490 ( 0.000 9.715 0.000) 9.715 7.642 ( 0.000 0.541 0.000) 0.541 7.856 ( 0.000 -8.611 0.000) 8.611 8.226 ( 0.000 -5.223 0.000) 5.223 8.311 ( 0.000 4.516 0.000) 4.516 8.402 ( 0.000 -4.526 0.000) 4.526 8.425 ( 0.000 -7.931 0.000) 7.931 8.483 ( 0.000 -9.415 0.000) 9.415 8.815 ( 0.000 -2.706 0.000) 2.706 8.826 ( 0.000 1.467 0.000) 1.467 9.060 ( 0.000 -2.087 0.000) 2.087 9.275 ( 0.000 5.282 0.000) 5.282 9.836 ( 0.000 3.624 0.000) 3.624 10.756 ( 0.000 6.649 0.000) 6.649 10.795 ( 0.000 -8.715 0.000) 8.715 10.885 ( 0.000 4.259 0.000) 4.259 11.099 ( 0.000 6.414 0.000) 6.414 11.157 ( 0.000 2.435 0.000) 2.435 11.449 ( 0.000 -11.684 0.000) 11.684 11.981 ( 0.000 -1.980 0.000) 1.980 11.990 ( 0.000 -1.293 0.000) 1.293 12.221 ( 0.000 -5.707 0.000) 5.707 12.270 ( 0.000 0.980 0.000) 0.980 12.377 ( 0.000 2.717 0.000) 2.717 12.727 ( 0.000 5.743 0.000) 5.743 12.904 ( 0.000 -6.924 0.000) 6.924 13.519 ( 0.000 -6.150 0.000) 6.150 13.690 ( 0.000 12.098 0.000) 12.098 13.811 ( 0.000 8.533 0.000) 8.533 15.149 ( 0.000 -5.885 0.000) 5.885 15.896 ( 0.000 -13.852 0.000) 13.852 18.727 ( 0.000 8.739 0.000) 8.739 18.775 ( 0.000 15.257 0.000) 15.257 18.777 ( 0.000 8.035 0.000) 8.035 20.391 ( 0.000 -5.422 0.000) 5.422 20.549 ( 0.000 -1.870 0.000) 1.870 21.109 ( 0.000 -3.932 0.000) 3.932 21.224 ( 0.000 1.007 0.000) 1.007 21.480 ( 0.000 -1.548 0.000) 1.548 22.047 ( 0.000 1.237 0.000) 1.237 22.240 ( 0.000 -0.655 0.000) 0.655 22.580 ( 0.000 0.317 0.000) 0.317 22.688 ( 0.000 -1.051 0.000) 1.051 22.962 ( 0.000 0.213 0.000) 0.213 23.040 ( 0.000 -0.445 0.000) 0.445 23.322 ( 0.000 2.211 0.000) 2.211 24.438 ( 0.000 -8.700 0.000) 8.700 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 23.272 15.318 0.000) 27.861 0.876 ( 22.518 18.691 0.000) 29.264 1.572 ( 35.510 27.450 0.000) 44.883 1.832 ( -15.620 17.575 0.000) 23.513 1.888 ( -10.602 7.649 0.000) 13.073 2.586 ( 6.444 5.554 0.000) 8.507 2.887 ( -5.320 1.262 0.000) 5.468 3.176 ( 3.703 -6.274 0.000) 7.285 3.195 ( 1.071 -7.699 0.000) 7.773 3.323 ( 5.456 6.865 0.000) 8.769 3.329 ( -21.128 -2.747 0.000) 21.305 3.537 ( 4.651 2.936 0.000) 5.500 3.632 ( -6.061 9.553 0.000) 11.314 3.806 ( -1.456 -5.937 0.000) 6.113 4.013 ( -6.389 2.998 0.000) 7.058 4.128 ( 1.378 -1.484 0.000) 2.025 4.423 ( -7.987 7.567 0.000) 11.002 4.475 ( 0.949 -2.361 0.000) 2.545 4.745 ( 1.436 -4.583 0.000) 4.802 4.791 ( -1.450 -1.257 0.000) 1.919 4.872 ( 0.775 4.662 0.000) 4.726 4.913 ( 0.558 -7.392 0.000) 7.413 5.061 ( 1.077 -6.151 0.000) 6.244 5.163 ( 2.695 11.185 0.000) 11.505 5.221 ( -6.576 -9.011 0.000) 11.155 5.296 ( -3.649 9.190 0.000) 9.887 5.796 ( 3.298 6.622 0.000) 7.397 5.833 ( 2.778 4.164 0.000) 5.005 6.004 ( 7.350 -2.557 0.000) 7.782 6.046 ( -1.388 9.917 0.000) 10.013 6.274 ( -2.775 10.475 0.000) 10.836 6.289 ( -1.988 2.153 0.000) 2.931 6.638 ( 2.614 -3.274 0.000) 4.190 6.859 ( -1.724 -6.114 0.000) 6.352 7.070 ( 8.270 -4.629 0.000) 9.478 7.383 ( -3.572 -4.586 0.000) 5.813 7.441 ( -0.806 1.103 0.000) 1.366 7.485 ( -5.255 3.934 0.000) 6.564 7.601 ( 8.785 7.002 0.000) 11.234 7.995 ( -0.382 -8.665 0.000) 8.673 8.181 ( -4.413 -1.629 0.000) 4.705 8.226 ( -0.509 -6.014 0.000) 6.036 8.372 ( -0.112 -2.247 0.000) 2.250 8.457 ( -0.035 -0.967 0.000) 0.967 8.590 ( 7.110 -11.890 0.000) 13.854 8.758 ( 0.245 -0.101 0.000) 0.265 8.961 ( 2.780 -11.322 0.000) 11.658 9.038 ( -1.938 -2.384 0.000) 3.072 9.303 ( 2.760 7.623 0.000) 8.107 9.635 ( -11.596 11.170 0.000) 16.101 10.789 ( 2.897 7.027 0.000) 7.601 10.915 ( 2.752 3.843 0.000) 4.727 10.965 ( -0.707 0.030 0.000) 0.707 11.101 ( -4.288 2.484 0.000) 4.956 11.193 ( 12.023 -11.256 0.000) 16.469 11.465 ( 0.281 -13.608 0.000) 13.611 11.933 ( -2.705 2.200 0.000) 3.487 11.987 ( -2.519 1.657 0.000) 3.016 12.236 ( 3.813 -4.206 0.000) 5.677 12.316 ( 2.594 -0.474 0.000) 2.637 12.427 ( 4.340 2.358 0.000) 4.940 12.643 ( -6.095 4.376 0.000) 7.503 12.862 ( -3.117 -6.008 0.000) 6.769 13.047 ( -18.011 13.346 0.000) 22.417 13.700 ( 0.816 11.343 0.000) 11.372 13.740 ( -1.093 8.103 0.000) 8.176 15.605 ( 16.578 -25.473 0.000) 30.393 15.879 ( -1.658 -14.940 0.000) 15.032 18.725 ( -0.072 8.592 0.000) 8.593 18.742 ( -1.053 9.349 0.000) 9.408 18.843 ( 4.175 16.376 0.000) 16.900 19.463 ( -40.873 47.153 0.000) 62.402 20.453 ( 0.643 0.150 0.000) 0.661 20.529 ( -1.621 -1.743 0.000) 2.380 21.172 ( 5.534 -3.778 0.000) 6.700 21.561 ( -9.663 -3.418 0.000) 10.250 22.168 ( 7.894 0.926 0.000) 7.948 22.494 ( -6.090 0.478 0.000) 6.108 22.736 ( 2.704 -1.288 0.000) 2.995 22.802 ( 1.003 -4.876 0.000) 4.978 23.040 ( 5.736 0.392 0.000) 5.749 23.283 ( -3.456 1.909 0.000) 3.948 23.904 ( 35.898 -40.492 0.000) 54.113 24.414 ( -2.360 -10.925 0.000) 11.177 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -16.467 8.254 0.000) 18.420 1.370 ( 16.467 8.254 0.000) 18.420 1.403 ( -15.782 14.693 0.000) 21.563 1.403 ( 15.782 14.693 0.000) 21.563 2.579 ( -39.171 12.879 0.000) 41.234 2.579 ( 39.171 12.879 0.000) 41.234 2.751 ( -4.487 5.338 0.000) 6.973 2.751 ( 4.487 5.338 0.000) 6.973 3.216 ( -0.187 -7.763 0.000) 7.766 3.216 ( 0.187 -7.763 0.000) 7.766 3.474 ( -7.234 8.404 0.000) 11.089 3.474 ( 7.234 8.404 0.000) 11.089 3.680 ( -7.718 -3.605 0.000) 8.519 3.680 ( 7.718 -3.605 0.000) 8.519 4.064 ( -6.026 -2.409 0.000) 6.490 4.064 ( 6.026 -2.409 0.000) 6.490 4.420 ( -4.580 4.489 0.000) 6.413 4.420 ( 4.580 4.489 0.000) 6.413 4.772 ( -0.689 -7.316 0.000) 7.348 4.772 ( 0.689 -7.316 0.000) 7.348 4.894 ( -1.251 1.577 0.000) 2.013 4.894 ( 1.251 1.577 0.000) 2.013 5.110 ( -3.389 -8.420 0.000) 9.077 5.110 ( 3.389 -8.420 0.000) 9.077 5.219 ( -2.920 12.707 0.000) 13.038 5.219 ( 2.920 12.707 0.000) 13.038 5.861 ( -1.413 4.986 0.000) 5.182 5.861 ( 1.413 4.986 0.000) 5.182 6.044 ( -1.498 4.552 0.000) 4.792 6.044 ( 1.498 4.552 0.000) 4.792 6.253 ( -0.936 5.406 0.000) 5.486 6.253 ( 0.936 5.406 0.000) 5.486 6.757 ( -6.561 -5.346 0.000) 8.464 6.757 ( 6.561 -5.346 0.000) 8.464 7.262 ( -7.930 -5.599 0.000) 9.708 7.262 ( 7.930 -5.599 0.000) 9.708 7.428 ( -0.193 2.688 0.000) 2.695 7.428 ( 0.193 2.688 0.000) 2.695 7.826 ( -10.680 2.252 0.000) 10.915 7.826 ( 10.680 2.252 0.000) 10.915 8.191 ( -2.228 -6.444 0.000) 6.818 8.191 ( 2.228 -6.444 0.000) 6.818 8.414 ( -3.014 -0.355 0.000) 3.035 8.414 ( 3.014 -0.355 0.000) 3.035 8.733 ( -4.245 -11.365 0.000) 12.131 8.733 ( 4.245 -11.365 0.000) 12.131 8.992 ( -1.601 -5.369 0.000) 5.602 8.992 ( 1.601 -5.369 0.000) 5.602 9.414 ( -7.679 11.775 0.000) 14.058 9.414 ( 7.679 11.775 0.000) 14.058 10.877 ( -4.718 7.118 0.000) 8.539 10.877 ( 4.718 7.118 0.000) 8.539 10.999 ( -4.472 3.018 0.000) 5.395 10.999 ( 4.472 3.018 0.000) 5.395 11.408 ( -6.131 -15.981 0.000) 17.116 11.408 ( 6.131 -15.981 0.000) 17.116 11.919 ( -1.840 5.754 0.000) 6.041 11.919 ( 1.840 5.754 0.000) 6.041 12.333 ( -2.188 -2.302 0.000) 3.176 12.333 ( 2.188 -2.302 0.000) 3.176 12.529 ( -4.287 0.506 0.000) 4.317 12.529 ( 4.287 0.506 0.000) 4.317 12.837 ( -3.019 1.308 0.000) 3.290 12.837 ( 3.019 1.308 0.000) 3.290 13.720 ( -0.934 9.480 0.000) 9.526 13.720 ( 0.934 9.480 0.000) 9.526 15.812 ( -4.868 -18.817 0.000) 19.436 15.812 ( 4.868 -18.817 0.000) 19.436 18.727 ( -0.305 8.517 0.000) 8.523 18.727 ( 0.305 8.517 0.000) 8.523 18.989 ( -10.428 26.449 0.000) 28.431 18.989 ( 10.428 26.449 0.000) 28.431 20.487 ( -1.972 -1.311 0.000) 2.368 20.487 ( 1.972 -1.311 0.000) 2.368 21.341 ( -9.366 -3.431 0.000) 9.975 21.341 ( 9.366 -3.431 0.000) 9.975 22.341 ( -7.538 0.775 0.000) 7.577 22.341 ( 7.538 0.775 0.000) 7.577 22.785 ( -1.653 -2.078 0.000) 2.655 22.785 ( 1.653 -2.078 0.000) 2.655 23.176 ( -5.986 1.170 0.000) 6.099 23.176 ( 5.986 1.170 0.000) 6.099 24.310 ( -8.272 -19.637 0.000) 21.308 24.310 ( 8.272 -19.637 0.000) 21.308 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 28.333 0.000) 28.333 1.148 ( 0.000 27.924 0.000) 27.924 1.870 ( 0.000 35.508 0.000) 35.508 2.245 ( 0.000 14.446 0.000) 14.446 2.498 ( 0.000 23.973 0.000) 23.973 2.576 ( 0.000 3.863 0.000) 3.863 2.832 ( 0.000 -6.737 0.000) 6.737 2.961 ( 0.000 -9.717 0.000) 9.717 2.975 ( 0.000 -12.335 0.000) 12.335 3.395 ( 0.000 -10.294 0.000) 10.294 3.510 ( 0.000 14.512 0.000) 14.512 3.543 ( 0.000 -5.659 0.000) 5.659 3.626 ( 0.000 6.342 0.000) 6.342 3.928 ( 0.000 7.930 0.000) 7.930 4.139 ( 0.000 4.110 0.000) 4.110 4.368 ( 0.000 9.988 0.000) 9.988 4.430 ( 0.000 1.738 0.000) 1.738 4.535 ( 0.000 -12.610 0.000) 12.610 4.619 ( 0.000 -5.034 0.000) 5.034 4.635 ( 0.000 -13.430 0.000) 13.430 4.680 ( 0.000 -6.977 0.000) 6.977 4.979 ( 0.000 -6.382 0.000) 6.382 4.998 ( 0.000 2.723 0.000) 2.723 5.115 ( 0.000 -10.332 0.000) 10.332 5.372 ( 0.000 20.642 0.000) 20.642 5.530 ( 0.000 10.097 0.000) 10.097 5.902 ( 0.000 6.366 0.000) 6.366 5.905 ( 0.000 6.943 0.000) 6.943 5.914 ( 0.000 7.089 0.000) 7.089 6.319 ( 0.000 13.874 0.000) 13.874 6.381 ( 0.000 -2.231 0.000) 2.231 6.395 ( 0.000 5.857 0.000) 5.857 6.682 ( 0.000 7.275 0.000) 7.275 6.835 ( 0.000 -0.001 0.000) 0.001 6.892 ( 0.000 -2.724 0.000) 2.724 7.291 ( 0.000 -9.279 0.000) 9.279 7.439 ( 0.000 -1.188 0.000) 1.188 7.634 ( 0.000 -2.436 0.000) 2.436 7.644 ( 0.000 -12.646 0.000) 12.646 7.713 ( 0.000 11.818 0.000) 11.818 8.063 ( 0.000 -10.615 0.000) 10.615 8.245 ( 0.000 -8.934 0.000) 8.934 8.298 ( 0.000 -8.393 0.000) 8.393 8.316 ( 0.000 -3.623 0.000) 3.623 8.371 ( 0.000 0.461 0.000) 0.461 8.764 ( 0.000 -1.591 0.000) 1.591 8.846 ( 0.000 0.416 0.000) 0.416 8.914 ( 0.000 -11.159 0.000) 11.159 9.469 ( 0.000 13.031 0.000) 13.031 9.939 ( 0.000 6.699 0.000) 6.699 10.619 ( 0.000 -9.107 0.000) 9.107 10.828 ( 0.000 -4.547 0.000) 4.547 10.997 ( 0.000 6.793 0.000) 6.793 11.208 ( 0.000 4.489 0.000) 4.489 11.216 ( 0.000 3.213 0.000) 3.213 11.226 ( 0.000 -5.840 0.000) 5.840 11.955 ( 0.000 -2.132 0.000) 2.132 11.972 ( 0.000 1.410 0.000) 1.410 12.092 ( 0.000 -6.882 0.000) 6.882 12.297 ( 0.000 1.632 0.000) 1.632 12.415 ( 0.000 1.024 0.000) 1.024 12.719 ( 0.000 -11.245 0.000) 11.245 12.860 ( 0.000 7.336 0.000) 7.336 13.400 ( 0.000 -6.047 0.000) 6.047 13.998 ( 0.000 18.368 0.000) 18.368 13.999 ( 0.000 10.638 0.000) 10.638 14.986 ( 0.000 -10.428 0.000) 10.428 15.563 ( 0.000 -18.919 0.000) 18.919 18.966 ( 0.000 15.091 0.000) 15.091 18.989 ( 0.000 12.777 0.000) 12.777 19.120 ( 0.000 17.667 0.000) 17.667 20.233 ( 0.000 -10.627 0.000) 10.627 20.505 ( 0.000 -2.067 0.000) 2.067 20.994 ( 0.000 -7.689 0.000) 7.689 21.253 ( 0.000 1.805 0.000) 1.805 21.440 ( 0.000 -2.360 0.000) 2.360 22.079 ( 0.000 1.899 0.000) 1.899 22.221 ( 0.000 -1.219 0.000) 1.219 22.589 ( 0.000 0.568 0.000) 0.568 22.663 ( 0.000 -1.386 0.000) 1.386 22.968 ( 0.000 0.441 0.000) 0.441 23.028 ( 0.000 -0.763 0.000) 0.763 23.390 ( 0.000 4.755 0.000) 4.755 24.213 ( 0.000 -13.442 0.000) 13.442 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 14.253 23.232 0.000) 27.256 1.292 ( 13.897 22.757 0.000) 26.664 1.967 ( -9.441 12.130 0.000) 15.371 2.180 ( -19.328 15.507 0.000) 24.780 2.306 ( 20.847 29.957 0.000) 36.497 2.734 ( 5.893 6.555 0.000) 8.815 2.859 ( 1.383 -3.614 0.000) 3.870 2.995 ( 0.798 -10.967 0.000) 10.996 3.005 ( 2.747 -9.391 0.000) 9.785 3.273 ( -7.962 -2.824 0.000) 8.448 3.515 ( 1.527 11.461 0.000) 11.562 3.633 ( 0.866 6.251 0.000) 6.311 3.676 ( 5.725 -4.999 0.000) 7.600 3.833 ( -7.267 8.789 0.000) 11.404 4.141 ( -1.375 2.842 0.000) 3.157 4.142 ( -14.298 10.694 0.000) 17.855 4.461 ( -1.571 -3.715 0.000) 4.033 4.483 ( 2.911 2.053 0.000) 3.562 4.622 ( -0.827 -9.563 0.000) 9.599 4.656 ( -2.430 -7.931 0.000) 8.295 4.719 ( 5.403 -9.671 0.000) 11.078 4.964 ( -0.169 -4.934 0.000) 4.936 4.971 ( -3.407 -0.004 0.000) 3.407 5.040 ( -4.142 -7.355 0.000) 8.441 5.421 ( 2.946 15.743 0.000) 16.016 5.512 ( -1.579 11.185 0.000) 11.296 5.933 ( 2.086 4.188 0.000) 4.679 5.940 ( 1.839 5.972 0.000) 6.249 6.013 ( 7.085 6.279 0.000) 9.467 6.277 ( -4.166 12.957 0.000) 13.610 6.390 ( 0.725 8.318 0.000) 8.350 6.442 ( 4.732 3.025 0.000) 5.616 6.619 ( -3.844 4.873 0.000) 6.207 6.786 ( -4.173 -1.461 0.000) 4.421 6.973 ( 6.258 -4.704 0.000) 7.829 7.237 ( -4.096 -9.349 0.000) 10.207 7.427 ( -0.709 -1.978 0.000) 2.101 7.488 ( -4.583 -4.350 0.000) 6.319 7.772 ( 4.480 8.367 0.000) 9.491 7.817 ( 5.965 -9.380 0.000) 11.116 8.053 ( -1.006 -10.628 0.000) 10.676 8.119 ( -6.566 -3.914 0.000) 7.644 8.332 ( 3.322 -1.429 0.000) 3.616 8.379 ( 5.318 -8.825 0.000) 10.304 8.454 ( 2.329 -1.219 0.000) 2.628 8.694 ( -5.944 -4.193 0.000) 7.274 8.842 ( 0.142 -2.293 0.000) 2.297 8.902 ( -1.130 -9.881 0.000) 9.945 9.515 ( 4.116 13.007 0.000) 13.643 9.826 ( -8.049 9.509 0.000) 12.458 10.761 ( 8.534 -13.792 0.000) 16.219 10.852 ( 1.731 -6.281 0.000) 6.515 11.020 ( 2.046 6.246 0.000) 6.572 11.158 ( -3.389 3.235 0.000) 4.685 11.211 ( 0.388 4.813 0.000) 4.829 11.245 ( 0.037 -3.865 0.000) 3.865 11.968 ( -0.198 1.900 0.000) 1.910 11.975 ( 0.649 -1.863 0.000) 1.973 12.132 ( 4.664 -5.700 0.000) 7.365 12.341 ( 2.432 2.623 0.000) 3.577 12.438 ( 1.868 -1.568 0.000) 2.439 12.710 ( 0.840 -8.572 0.000) 8.613 12.754 ( -8.662 6.325 0.000) 10.726 13.153 ( -16.744 -0.237 0.000) 16.745 13.964 ( -0.571 13.549 0.000) 13.561 13.993 ( -0.533 17.587 0.000) 17.595 15.195 ( 12.727 -17.716 0.000) 21.814 15.529 ( -3.092 -19.355 0.000) 19.601 18.959 ( -0.487 14.695 0.000) 14.703 18.965 ( -1.191 13.240 0.000) 13.294 19.216 ( 8.006 18.415 0.000) 20.080 19.989 ( -24.915 5.454 0.000) 25.505 20.493 ( -0.957 -1.348 0.000) 1.653 20.573 ( -14.575 14.128 0.000) 20.299 21.061 ( 5.864 -7.475 0.000) 9.501 21.464 ( -9.137 -6.346 0.000) 11.124 22.196 ( 7.899 2.014 0.000) 8.152 22.510 ( -5.517 1.263 0.000) 5.660 22.653 ( 10.051 -9.659 0.000) 13.940 22.701 ( 1.851 -2.233 0.000) 2.901 23.052 ( 6.506 0.858 0.000) 6.563 23.341 ( -4.272 4.078 0.000) 5.906 23.360 ( 29.100 -15.647 0.000) 33.040 24.144 ( -6.479 -15.323 0.000) 16.637 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -16.755 15.646 0.000) 22.925 1.606 ( 16.755 15.646 0.000) 22.925 1.716 ( -20.150 15.917 0.000) 25.678 1.716 ( 20.150 15.917 0.000) 25.678 2.804 ( -5.397 -1.359 0.000) 5.565 2.804 ( 5.397 -1.359 0.000) 5.565 2.902 ( -11.614 6.698 0.000) 13.407 2.902 ( 11.614 6.698 0.000) 13.407 3.063 ( -4.660 3.227 0.000) 5.669 3.063 ( 4.660 3.227 0.000) 5.669 3.617 ( -7.705 2.508 0.000) 8.103 3.617 ( 7.705 2.508 0.000) 8.103 3.685 ( -4.299 7.537 0.000) 8.677 3.685 ( 4.299 7.537 0.000) 8.677 4.054 ( -4.648 2.692 0.000) 5.371 4.054 ( 4.648 2.692 0.000) 5.371 4.496 ( -2.416 2.300 0.000) 3.336 4.496 ( 2.416 2.300 0.000) 3.336 4.610 ( -0.380 -8.807 0.000) 8.816 4.610 ( 0.380 -8.807 0.000) 8.816 4.846 ( -6.322 -7.353 0.000) 9.697 4.846 ( 6.322 -7.353 0.000) 9.697 4.985 ( -1.655 -3.806 0.000) 4.151 4.985 ( 1.655 -3.806 0.000) 4.151 5.473 ( -1.875 12.716 0.000) 12.853 5.473 ( 1.875 12.716 0.000) 12.853 5.963 ( -0.216 3.444 0.000) 3.451 5.963 ( 0.216 3.444 0.000) 3.451 6.157 ( -6.079 9.257 0.000) 11.075 6.157 ( 6.079 9.257 0.000) 11.075 6.445 ( -3.739 12.912 0.000) 13.442 6.445 ( 3.739 12.912 0.000) 13.442 6.662 ( -6.491 -3.759 0.000) 7.501 6.662 ( 6.491 -3.759 0.000) 7.501 7.122 ( -6.401 -8.051 0.000) 10.285 7.122 ( 6.401 -8.051 0.000) 10.285 7.427 ( -1.097 -3.055 0.000) 3.246 7.427 ( 1.097 -3.055 0.000) 3.246 7.863 ( -2.335 -0.829 0.000) 2.477 7.863 ( 2.335 -0.829 0.000) 2.477 8.033 ( -0.410 -7.467 0.000) 7.478 8.033 ( 0.410 -7.467 0.000) 7.478 8.426 ( -4.078 1.354 0.000) 4.297 8.426 ( 4.078 1.354 0.000) 4.297 8.532 ( -7.915 -8.678 0.000) 11.745 8.532 ( 7.915 -8.678 0.000) 11.745 8.867 ( -1.811 -6.823 0.000) 7.060 8.867 ( 1.811 -6.823 0.000) 7.060 9.646 ( -7.532 12.229 0.000) 14.362 9.646 ( 7.532 12.229 0.000) 14.362 10.871 ( -1.128 -11.885 0.000) 11.939 10.871 ( 1.128 -11.885 0.000) 11.939 11.081 ( -3.335 5.371 0.000) 6.322 11.081 ( 3.335 5.371 0.000) 6.322 11.229 ( -1.151 0.629 0.000) 1.311 11.229 ( 1.151 0.629 0.000) 1.311 11.971 ( -0.459 0.718 0.000) 0.852 11.971 ( 0.459 0.718 0.000) 0.852 12.283 ( -7.087 -3.510 0.000) 7.909 12.283 ( 7.087 -3.510 0.000) 7.909 12.548 ( -8.298 2.240 0.000) 8.595 12.548 ( 8.298 2.240 0.000) 8.595 12.838 ( -10.749 -1.338 0.000) 10.832 12.838 ( 10.749 -1.338 0.000) 10.832 13.975 ( -0.948 15.673 0.000) 15.702 13.975 ( 0.948 15.673 0.000) 15.702 15.418 ( -7.281 -20.078 0.000) 21.357 15.418 ( 7.281 -20.078 0.000) 21.357 18.952 ( -0.006 13.882 0.000) 13.882 18.952 ( 0.006 13.882 0.000) 13.882 19.483 ( -17.147 19.674 0.000) 26.097 19.483 ( 17.147 19.674 0.000) 26.097 20.477 ( -0.080 1.595 0.000) 1.597 20.477 ( 0.080 1.595 0.000) 1.597 21.239 ( -9.838 -6.911 0.000) 12.022 21.239 ( 9.838 -6.911 0.000) 12.022 22.367 ( -7.270 2.034 0.000) 7.549 22.367 ( 7.270 2.034 0.000) 7.549 22.724 ( -0.075 -4.186 0.000) 4.186 22.724 ( 0.075 -4.186 0.000) 4.186 23.211 ( -7.153 2.441 0.000) 7.558 23.211 ( 7.153 2.441 0.000) 7.558 23.897 ( -17.015 -19.916 0.000) 26.194 23.897 ( 17.015 -19.916 0.000) 26.194 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 27.168 0.000) 27.168 1.672 ( 0.000 25.149 0.000) 25.149 2.245 ( 0.000 8.002 0.000) 8.002 2.509 ( 0.000 -14.656 0.000) 14.656 2.523 ( 0.000 -3.269 0.000) 3.269 2.687 ( 0.000 -7.983 0.000) 7.983 2.834 ( 0.000 1.827 0.000) 1.827 2.885 ( 0.000 13.342 0.000) 13.342 2.997 ( 0.000 24.540 0.000) 24.540 3.220 ( 0.000 -5.798 0.000) 5.798 3.417 ( 0.000 -6.979 0.000) 6.979 3.703 ( 0.000 0.741 0.000) 0.741 3.787 ( 0.000 12.555 0.000) 12.555 4.090 ( 0.000 8.087 0.000) 8.087 4.209 ( 0.000 -4.035 0.000) 4.035 4.314 ( 0.000 -8.637 0.000) 8.637 4.328 ( 0.000 -11.577 0.000) 11.577 4.407 ( 0.000 -6.172 0.000) 6.172 4.537 ( 0.000 -1.415 0.000) 1.415 4.577 ( 0.000 10.813 0.000) 10.813 4.626 ( 0.000 3.313 0.000) 3.313 4.824 ( 0.000 -9.298 0.000) 9.298 4.938 ( 0.000 -7.593 0.000) 7.593 4.977 ( 0.000 -4.421 0.000) 4.421 5.717 ( 0.000 9.400 0.000) 9.400 5.777 ( 0.000 18.257 0.000) 18.257 5.984 ( 0.000 -0.172 0.000) 0.172 6.034 ( 0.000 3.818 0.000) 3.818 6.072 ( 0.000 9.270 0.000) 9.270 6.307 ( 0.000 -3.943 0.000) 3.943 6.554 ( 0.000 11.297 0.000) 11.297 6.611 ( 0.000 14.638 0.000) 14.638 6.830 ( 0.000 6.206 0.000) 6.206 6.862 ( 0.000 2.484 0.000) 2.484 6.869 ( 0.000 0.460 0.000) 0.460 7.086 ( 0.000 -11.117 0.000) 11.117 7.377 ( 0.000 -13.357 0.000) 13.357 7.423 ( 0.000 0.651 0.000) 0.651 7.498 ( 0.000 -11.493 0.000) 11.493 7.753 ( 0.000 -11.679 0.000) 11.679 8.012 ( 0.000 9.285 0.000) 9.285 8.142 ( 0.000 -0.579 0.000) 0.579 8.177 ( 0.000 -3.731 0.000) 3.731 8.273 ( 0.000 0.102 0.000) 0.102 8.316 ( 0.000 -5.356 0.000) 5.356 8.661 ( 0.000 -13.964 0.000) 13.964 8.770 ( 0.000 1.821 0.000) 1.821 8.841 ( 0.000 -0.889 0.000) 0.889 9.767 ( 0.000 17.218 0.000) 17.218 10.090 ( 0.000 8.416 0.000) 8.416 10.440 ( 0.000 -9.117 0.000) 9.117 10.544 ( 0.000 -19.953 0.000) 19.953 11.135 ( 0.000 6.799 0.000) 6.799 11.249 ( 0.000 3.648 0.000) 3.648 11.267 ( 0.000 1.179 0.000) 1.179 11.272 ( 0.000 2.175 0.000) 2.175 11.915 ( 0.000 -1.687 0.000) 1.687 11.969 ( 0.000 -5.155 0.000) 5.155 12.045 ( 0.000 6.142 0.000) 6.142 12.320 ( 0.000 -0.291 0.000) 0.291 12.421 ( 0.000 -0.269 0.000) 0.269 12.494 ( 0.000 -10.244 0.000) 10.244 13.006 ( 0.000 7.430 0.000) 7.430 13.279 ( 0.000 -6.378 0.000) 6.378 14.228 ( 0.000 12.587 0.000) 12.587 14.382 ( 0.000 20.253 0.000) 20.253 14.752 ( 0.000 -13.025 0.000) 13.025 15.178 ( 0.000 -19.954 0.000) 19.954 19.244 ( 0.000 12.217 0.000) 12.217 19.297 ( 0.000 18.043 0.000) 18.043 19.393 ( 0.000 8.553 0.000) 8.553 19.979 ( 0.000 -15.024 0.000) 15.024 20.499 ( 0.000 2.340 0.000) 2.340 20.814 ( 0.000 -10.280 0.000) 10.280 21.293 ( 0.000 2.297 0.000) 2.297 21.391 ( 0.000 -2.572 0.000) 2.572 22.118 ( 0.000 2.048 0.000) 2.048 22.193 ( 0.000 -1.644 0.000) 1.644 22.602 ( 0.000 0.733 0.000) 0.733 22.638 ( 0.000 -1.161 0.000) 1.161 22.979 ( 0.000 0.667 0.000) 0.667 23.011 ( 0.000 -0.891 0.000) 0.891 23.512 ( 0.000 7.769 0.000) 7.769 23.941 ( 0.000 -13.586 0.000) 13.586 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 8.715 24.574 0.000) 26.074 1.745 ( 7.800 22.933 0.000) 24.223 2.206 ( -7.576 12.442 0.000) 14.567 2.421 ( -14.667 7.553 0.000) 16.498 2.513 ( 4.006 -10.320 0.000) 11.070 2.614 ( -1.488 -13.253 0.000) 13.336 2.715 ( 0.146 -11.768 0.000) 11.769 2.872 ( -8.331 -6.518 0.000) 10.578 3.169 ( 14.183 26.915 0.000) 30.423 3.301 ( 8.178 6.915 0.000) 10.710 3.584 ( 9.337 -4.985 0.000) 10.584 3.686 ( -1.484 4.138 0.000) 4.396 3.791 ( 0.640 9.674 0.000) 9.696 4.013 ( -6.316 9.959 0.000) 11.793 4.205 ( -1.506 1.191 0.000) 1.920 4.322 ( 2.500 -12.892 0.000) 13.132 4.390 ( -10.643 9.505 0.000) 14.269 4.392 ( 4.999 -7.716 0.000) 9.194 4.435 ( -1.867 -4.965 0.000) 5.305 4.585 ( 3.981 -2.670 0.000) 4.793 4.608 ( -2.321 3.928 0.000) 4.562 4.836 ( 1.239 -8.226 0.000) 8.319 4.862 ( -6.327 -6.530 0.000) 9.092 4.948 ( -2.452 -5.666 0.000) 6.174 5.706 ( -0.426 8.687 0.000) 8.697 5.748 ( -2.048 15.705 0.000) 15.838 5.950 ( -0.550 -1.765 0.000) 1.848 6.024 ( -1.269 1.613 0.000) 2.052 6.201 ( 8.539 9.945 0.000) 13.107 6.427 ( 8.958 -1.924 0.000) 9.162 6.546 ( -5.165 13.567 0.000) 14.516 6.588 ( 2.461 10.676 0.000) 10.956 6.789 ( -3.116 8.799 0.000) 9.335 6.812 ( -4.453 4.467 0.000) 6.307 6.903 ( 2.598 -1.925 0.000) 3.233 7.038 ( -3.091 -10.226 0.000) 10.683 7.339 ( -1.408 -8.781 0.000) 8.894 7.391 ( -2.534 -0.376 0.000) 2.561 7.587 ( 5.056 -14.552 0.000) 15.405 7.732 ( -1.707 -12.925 0.000) 13.037 7.995 ( -0.229 5.723 0.000) 5.728 8.094 ( -3.341 2.093 0.000) 3.942 8.231 ( 3.579 -6.254 0.000) 7.206 8.348 ( 1.190 -8.273 0.000) 8.358 8.353 ( 6.787 3.780 0.000) 7.769 8.688 ( 2.059 -11.229 0.000) 11.416 8.691 ( -6.494 2.891 0.000) 7.108 8.805 ( -2.875 -2.024 0.000) 3.516 9.806 ( 3.392 16.606 0.000) 16.949 10.026 ( -4.859 10.890 0.000) 11.925 10.498 ( 3.742 -12.943 0.000) 13.473 10.554 ( 0.654 -19.557 0.000) 19.568 11.147 ( 1.144 6.275 0.000) 6.379 11.237 ( -1.811 3.724 0.000) 4.141 11.267 ( 0.464 2.377 0.000) 2.422 11.275 ( 0.543 1.141 0.000) 1.264 11.941 ( 2.019 -0.927 0.000) 2.222 12.027 ( 5.367 -4.797 0.000) 7.198 12.034 ( -1.180 5.252 0.000) 5.383 12.345 ( -4.782 -7.420 0.000) 8.828 12.409 ( 6.040 3.567 0.000) 7.015 12.567 ( 6.765 -5.322 0.000) 8.608 12.881 ( -10.278 6.428 0.000) 12.123 13.102 ( -13.590 -4.237 0.000) 14.236 14.248 ( 2.113 15.075 0.000) 15.222 14.363 ( -1.750 19.624 0.000) 19.702 14.867 ( 8.113 -16.198 0.000) 18.116 15.143 ( -3.239 -19.826 0.000) 20.089 19.235 ( -0.205 13.398 0.000) 13.399 19.279 ( -1.441 17.224 0.000) 17.284 19.474 ( 6.690 6.264 0.000) 9.164 19.890 ( -7.975 -11.321 0.000) 13.848 20.514 ( 1.694 4.477 0.000) 4.787 20.879 ( -19.335 14.515 0.000) 24.177 20.883 ( 6.062 -10.412 0.000) 12.048 21.317 ( -10.399 -8.574 0.000) 13.478 22.249 ( 8.678 3.435 0.000) 9.333 22.469 ( 13.028 -8.286 0.000) 15.440 22.544 ( -4.206 2.219 0.000) 4.755 22.651 ( 0.129 -2.792 0.000) 2.795 23.074 ( 7.776 1.425 0.000) 7.906 23.179 ( 15.571 -5.140 0.000) 16.397 23.447 ( -5.724 6.788 0.000) 8.879 23.851 ( -8.233 -13.878 0.000) 16.137 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -11.514 18.946 0.000) 22.170 1.954 ( 11.514 18.946 0.000) 22.170 2.033 ( -15.922 16.568 0.000) 22.978 2.033 ( 15.922 16.568 0.000) 22.978 2.657 ( -2.543 -12.859 0.000) 13.108 2.657 ( 2.543 -12.859 0.000) 13.108 2.684 ( -2.710 -15.940 0.000) 16.168 2.684 ( 2.710 -15.940 0.000) 16.168 3.419 ( -1.482 17.480 0.000) 17.543 3.419 ( 1.482 17.480 0.000) 17.543 3.693 ( -1.669 3.049 0.000) 3.476 3.693 ( 1.669 3.049 0.000) 3.476 3.835 ( -5.973 9.741 0.000) 11.426 3.835 ( 5.973 9.741 0.000) 11.426 4.186 ( -2.758 9.693 0.000) 10.078 4.186 ( 2.758 9.693 0.000) 10.078 4.400 ( -3.138 -11.814 0.000) 12.223 4.400 ( 3.138 -11.814 0.000) 12.223 4.523 ( -5.569 -1.249 0.000) 5.707 4.523 ( 5.569 -1.249 0.000) 5.707 4.702 ( -6.827 -4.954 0.000) 8.435 4.702 ( 6.827 -4.954 0.000) 8.435 4.883 ( -2.959 -6.859 0.000) 7.470 4.883 ( 2.959 -6.859 0.000) 7.470 5.711 ( -1.020 11.187 0.000) 11.233 5.711 ( 1.020 11.187 0.000) 11.233 5.978 ( -2.406 -1.687 0.000) 2.939 5.978 ( 2.406 -1.687 0.000) 2.939 6.391 ( -8.234 12.312 0.000) 14.812 6.391 ( 8.234 12.312 0.000) 14.812 6.610 ( -4.733 -0.631 0.000) 4.775 6.610 ( 4.733 -0.631 0.000) 4.775 6.725 ( -0.496 13.130 0.000) 13.139 6.725 ( 0.496 13.130 0.000) 13.139 6.970 ( -3.160 -6.592 0.000) 7.310 6.970 ( 3.160 -6.592 0.000) 7.310 7.339 ( -1.480 -4.005 0.000) 4.270 7.339 ( 1.480 -4.005 0.000) 4.270 7.679 ( -3.245 -14.895 0.000) 15.245 7.679 ( 3.245 -14.895 0.000) 15.245 8.023 ( -2.632 4.242 0.000) 4.992 8.023 ( 2.632 4.242 0.000) 4.992 8.320 ( -3.637 -9.486 0.000) 10.160 8.320 ( 3.637 -9.486 0.000) 10.160 8.524 ( -8.027 4.835 0.000) 9.370 8.524 ( 8.027 4.835 0.000) 9.370 8.740 ( -2.666 -5.976 0.000) 6.544 8.740 ( 2.666 -5.976 0.000) 6.544 9.907 ( -5.431 14.479 0.000) 15.464 9.907 ( 5.431 14.479 0.000) 15.464 10.554 ( -1.052 -17.625 0.000) 17.656 10.554 ( 1.052 -17.625 0.000) 17.656 11.186 ( -2.325 4.994 0.000) 5.508 11.186 ( 2.325 4.994 0.000) 5.508 11.279 ( -0.264 1.611 0.000) 1.632 11.279 ( 0.264 1.611 0.000) 1.632 11.992 ( -2.365 2.267 0.000) 3.277 11.992 ( 2.365 2.267 0.000) 3.277 12.186 ( -8.191 -5.969 0.000) 10.135 12.186 ( 8.191 -5.969 0.000) 10.135 12.620 ( -11.833 4.569 0.000) 12.685 12.620 ( 11.833 4.569 0.000) 12.685 12.791 ( -13.011 -3.345 0.000) 13.434 12.791 ( 13.011 -3.345 0.000) 13.434 14.309 ( -2.946 17.865 0.000) 18.106 14.309 ( 2.946 17.865 0.000) 18.106 15.035 ( -6.464 -19.009 0.000) 20.078 15.035 ( 6.464 -19.009 0.000) 20.078 19.247 ( -1.190 15.380 0.000) 15.426 19.247 ( 1.190 15.380 0.000) 15.426 19.669 ( -10.486 -0.698 0.000) 10.509 19.669 ( 10.486 -0.698 0.000) 10.509 20.599 ( -6.976 10.713 0.000) 12.784 20.599 ( 6.976 10.713 0.000) 12.784 21.070 ( -10.516 -10.239 0.000) 14.677 21.070 ( 10.516 -10.239 0.000) 14.677 22.424 ( -6.750 3.769 0.000) 7.731 22.424 ( 6.750 3.769 0.000) 7.731 22.625 ( -2.970 -5.624 0.000) 6.360 22.625 ( 2.970 -5.624 0.000) 6.360 23.274 ( -9.317 4.153 0.000) 10.201 23.274 ( 9.317 4.153 0.000) 10.201 23.574 ( -16.673 -12.805 0.000) 21.022 23.574 ( 16.673 -12.805 0.000) 21.022 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -23.697 0.000) 23.697 2.111 ( 0.000 23.697 0.000) 23.697 2.118 ( 0.000 -19.143 0.000) 19.143 2.118 ( 0.000 19.143 0.000) 19.143 2.527 ( 0.000 -7.449 0.000) 7.449 2.527 ( 0.000 7.449 0.000) 7.449 2.932 ( 0.000 -5.307 0.000) 5.307 2.932 ( 0.000 5.307 0.000) 5.307 3.268 ( 0.000 -7.925 0.000) 7.925 3.268 ( 0.000 7.925 0.000) 7.925 3.533 ( 0.000 -21.680 0.000) 21.680 3.533 ( 0.000 21.680 0.000) 21.680 3.975 ( 0.000 -8.356 0.000) 8.356 3.975 ( 0.000 8.356 0.000) 8.356 4.250 ( 0.000 -2.197 0.000) 2.197 4.250 ( 0.000 2.197 0.000) 2.197 4.251 ( 0.000 -8.432 0.000) 8.432 4.251 ( 0.000 8.432 0.000) 8.432 4.632 ( 0.000 -9.275 0.000) 9.275 4.632 ( 0.000 9.275 0.000) 9.275 4.713 ( 0.000 -1.327 0.000) 1.327 4.713 ( 0.000 1.327 0.000) 1.327 4.865 ( 0.000 -3.737 0.000) 3.737 4.865 ( 0.000 3.737 0.000) 3.737 5.895 ( 0.000 -7.901 0.000) 7.901 5.895 ( 0.000 7.901 0.000) 7.901 6.021 ( 0.000 -6.016 0.000) 6.016 6.021 ( 0.000 6.016 0.000) 6.016 6.221 ( 0.000 -5.605 0.000) 5.605 6.221 ( 0.000 5.605 0.000) 5.605 6.793 ( 0.000 -11.367 0.000) 11.367 6.793 ( 0.000 11.367 0.000) 11.367 6.886 ( 0.000 -11.585 0.000) 11.585 6.886 ( 0.000 11.585 0.000) 11.585 6.888 ( 0.000 -0.222 0.000) 0.222 6.888 ( 0.000 0.222 0.000) 0.222 7.271 ( 0.000 -6.897 0.000) 6.897 7.271 ( 0.000 6.897 0.000) 6.897 7.519 ( 0.000 -9.596 0.000) 9.596 7.519 ( 0.000 9.596 0.000) 9.596 8.132 ( 0.000 -2.119 0.000) 2.119 8.132 ( 0.000 2.119 0.000) 2.119 8.201 ( 0.000 -5.424 0.000) 5.424 8.201 ( 0.000 5.424 0.000) 5.424 8.394 ( 0.000 -12.026 0.000) 12.026 8.394 ( 0.000 12.026 0.000) 12.026 8.812 ( 0.000 -2.007 0.000) 2.007 8.812 ( 0.000 2.007 0.000) 2.007 10.139 ( 0.000 -20.320 0.000) 20.320 10.139 ( 0.000 20.320 0.000) 20.320 10.262 ( 0.000 -8.975 0.000) 8.975 10.262 ( 0.000 8.975 0.000) 8.975 11.243 ( 0.000 -3.656 0.000) 3.656 11.243 ( 0.000 3.656 0.000) 3.656 11.291 ( 0.000 -0.426 0.000) 0.426 11.291 ( 0.000 0.426 0.000) 0.426 11.905 ( 0.000 -1.166 0.000) 1.166 11.905 ( 0.000 1.166 0.000) 1.166 12.206 ( 0.000 -9.436 0.000) 9.436 12.206 ( 0.000 9.436 0.000) 9.436 12.411 ( 0.000 -0.223 0.000) 0.223 12.411 ( 0.000 0.223 0.000) 0.223 13.148 ( 0.000 -6.961 0.000) 6.961 13.148 ( 0.000 6.961 0.000) 6.961 14.487 ( 0.000 -13.627 0.000) 13.627 14.487 ( 0.000 13.627 0.000) 13.627 14.782 ( 0.000 -20.338 0.000) 20.338 14.782 ( 0.000 20.338 0.000) 20.338 19.425 ( 0.000 -4.929 0.000) 4.929 19.425 ( 0.000 4.929 0.000) 4.929 19.654 ( 0.000 -17.782 0.000) 17.782 19.654 ( 0.000 17.782 0.000) 17.782 20.615 ( 0.000 -9.045 0.000) 9.045 20.615 ( 0.000 9.045 0.000) 9.045 21.341 ( 0.000 -2.525 0.000) 2.525 21.341 ( 0.000 2.525 0.000) 2.525 22.158 ( 0.000 -1.926 0.000) 1.926 22.158 ( 0.000 1.926 0.000) 1.926 22.618 ( 0.000 -0.892 0.000) 0.892 22.618 ( 0.000 0.892 0.000) 0.892 22.994 ( 0.000 -0.839 0.000) 0.839 22.994 ( 0.000 0.839 0.000) 0.839 23.696 ( 0.000 -11.036 0.000) 11.036 23.696 ( 0.000 11.036 0.000) 11.036 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 5.339 -19.816 0.000) 20.523 2.173 ( 5.339 19.816 0.000) 20.523 2.173 ( 5.319 -22.017 0.000) 22.651 2.173 ( 5.319 22.017 0.000) 22.651 2.472 ( -4.924 -12.460 0.000) 13.398 2.472 ( -4.924 12.460 0.000) 13.398 2.687 ( -15.327 -10.694 0.000) 18.689 2.687 ( -15.327 10.694 0.000) 18.689 3.461 ( 10.928 -7.702 0.000) 13.370 3.461 ( 10.928 7.702 0.000) 13.370 3.630 ( 6.195 -13.893 0.000) 15.212 3.630 ( 6.195 13.893 0.000) 15.212 3.982 ( 2.129 -12.826 0.000) 13.001 3.982 ( 2.129 12.826 0.000) 13.001 4.222 ( -2.685 -10.897 0.000) 11.222 4.222 ( -2.685 10.897 0.000) 11.222 4.280 ( 2.727 -5.073 0.000) 5.759 4.280 ( 2.727 5.073 0.000) 5.759 4.620 ( -8.533 -6.802 0.000) 10.912 4.620 ( -8.533 6.802 0.000) 10.912 4.661 ( 2.628 -8.458 0.000) 8.857 4.661 ( 2.628 8.458 0.000) 8.857 4.821 ( -3.309 -4.910 0.000) 5.921 4.821 ( -3.309 4.910 0.000) 5.921 5.860 ( -0.806 -6.815 0.000) 6.863 5.860 ( -0.806 6.815 0.000) 6.863 5.977 ( -3.525 -6.890 0.000) 7.739 5.977 ( -3.525 6.890 0.000) 7.739 6.360 ( 9.701 -5.726 0.000) 11.265 6.360 ( 9.701 5.726 0.000) 11.265 6.726 ( -5.372 -2.955 0.000) 6.131 6.726 ( -5.372 2.955 0.000) 6.131 6.888 ( -0.013 -1.198 0.000) 1.198 6.888 ( -0.013 1.198 0.000) 1.198 6.891 ( 0.085 -4.089 0.000) 4.090 6.891 ( 0.085 4.089 0.000) 4.090 7.309 ( 3.115 -9.634 0.000) 10.125 7.309 ( 3.115 9.634 0.000) 10.125 7.481 ( -3.262 -10.159 0.000) 10.670 7.481 ( -3.262 10.159 0.000) 10.670 8.113 ( -0.192 -5.942 0.000) 5.945 8.113 ( -0.192 5.942 0.000) 5.945 8.189 ( -1.231 -7.075 0.000) 7.181 8.189 ( -1.231 7.075 0.000) 7.181 8.484 ( 6.382 -9.040 0.000) 11.066 8.484 ( 6.382 9.040 0.000) 11.066 8.755 ( -4.726 -3.080 0.000) 5.641 8.755 ( -4.726 3.080 0.000) 5.641 10.163 ( 1.996 -19.488 0.000) 19.590 10.163 ( 1.996 19.488 0.000) 19.590 10.252 ( -1.005 -12.054 0.000) 12.096 10.252 ( -1.005 12.054 0.000) 12.096 11.249 ( 0.556 -3.641 0.000) 3.683 11.249 ( 0.556 3.641 0.000) 3.683 11.284 ( -0.632 -0.896 0.000) 1.097 11.284 ( -0.632 0.896 0.000) 1.097 11.954 ( 4.182 -2.328 0.000) 4.787 11.954 ( 4.182 2.328 0.000) 4.787 12.174 ( -3.245 -8.687 0.000) 9.273 12.174 ( -3.245 8.687 0.000) 9.273 12.483 ( 6.985 -3.823 0.000) 7.962 12.483 ( 6.985 3.823 0.000) 7.962 13.002 ( -11.725 -5.763 0.000) 13.065 13.002 ( -11.725 5.763 0.000) 13.065 14.552 ( 4.985 -15.846 0.000) 16.612 14.552 ( 4.985 15.846 0.000) 16.612 14.752 ( -2.689 -19.916 0.000) 20.097 14.752 ( -2.689 19.916 0.000) 20.097 19.452 ( 2.399 -7.439 0.000) 7.816 19.452 ( 2.399 7.439 0.000) 7.816 19.612 ( -3.404 -16.153 0.000) 16.508 19.612 ( -3.404 16.153 0.000) 16.508 20.670 ( 5.056 -10.485 0.000) 11.641 20.670 ( 5.056 10.485 0.000) 11.641 21.127 ( -14.274 -10.914 0.000) 17.968 21.127 ( -14.274 10.914 0.000) 17.968 22.335 ( 10.696 -5.457 0.000) 12.007 22.335 ( 10.696 5.457 0.000) 12.007 22.595 ( -2.146 -2.831 0.000) 3.552 22.595 ( -2.146 2.831 0.000) 3.552 23.110 ( 10.116 -2.393 0.000) 10.395 23.110 ( 10.116 2.393 0.000) 10.395 23.613 ( -7.448 -10.246 0.000) 12.667 23.613 ( -7.448 10.246 0.000) 12.667 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -4.790 -11.204 0.000) 12.185 2.315 ( 4.790 -11.204 0.000) 12.185 2.315 ( -4.790 11.204 0.000) 12.185 2.315 ( 4.790 11.204 0.000) 12.185 2.379 ( -9.451 -9.334 0.000) 13.284 2.379 ( 9.451 -9.334 0.000) 13.284 2.379 ( -9.451 9.334 0.000) 13.284 2.379 ( 9.451 9.334 0.000) 13.284 3.648 ( -5.052 -6.856 0.000) 8.517 3.648 ( 5.052 -6.856 0.000) 8.517 3.648 ( -5.052 6.856 0.000) 8.517 3.648 ( 5.052 6.856 0.000) 8.517 4.117 ( -7.358 -15.932 0.000) 17.549 4.117 ( 7.358 -15.932 0.000) 17.549 4.117 ( -7.358 15.932 0.000) 17.549 4.117 ( 7.358 15.932 0.000) 17.549 4.396 ( -8.861 -10.102 0.000) 13.438 4.396 ( 8.861 -10.102 0.000) 13.438 4.396 ( -8.861 10.102 0.000) 13.438 4.396 ( 8.861 10.102 0.000) 13.438 4.738 ( -3.974 -6.762 0.000) 7.843 4.738 ( 3.974 -6.762 0.000) 7.843 4.738 ( -3.974 6.762 0.000) 7.843 4.738 ( 3.974 6.762 0.000) 7.843 5.893 ( -3.364 -6.963 0.000) 7.733 5.893 ( 3.364 -6.963 0.000) 7.733 5.893 ( -3.364 6.963 0.000) 7.733 5.893 ( 3.364 6.963 0.000) 7.733 6.570 ( -8.613 -5.032 0.000) 9.975 6.570 ( 8.613 -5.032 0.000) 9.975 6.570 ( -8.613 5.032 0.000) 9.975 6.570 ( 8.613 5.032 0.000) 9.975 6.889 ( -0.132 -3.001 0.000) 3.004 6.889 ( 0.132 -3.001 0.000) 3.004 6.889 ( -0.132 3.001 0.000) 3.004 6.889 ( 0.132 3.001 0.000) 3.004 7.393 ( -4.232 -11.218 0.000) 11.990 7.393 ( 4.232 -11.218 0.000) 11.990 7.393 ( -4.232 11.218 0.000) 11.990 7.393 ( 4.232 11.218 0.000) 11.990 8.144 ( -2.448 -7.880 0.000) 8.251 8.144 ( 2.448 -7.880 0.000) 8.251 8.144 ( -2.448 7.880 0.000) 8.251 8.144 ( 2.448 7.880 0.000) 8.251 8.628 ( -6.362 -5.521 0.000) 8.423 8.628 ( 6.362 -5.521 0.000) 8.423 8.628 ( -6.362 5.521 0.000) 8.423 8.628 ( 6.362 5.521 0.000) 8.423 10.214 ( -2.314 -16.687 0.000) 16.846 10.214 ( 2.314 -16.687 0.000) 16.846 10.214 ( -2.314 16.687 0.000) 16.846 10.214 ( 2.314 16.687 0.000) 16.846 11.266 ( -0.910 -2.759 0.000) 2.905 11.266 ( 0.910 -2.759 0.000) 2.905 11.266 ( -0.910 2.759 0.000) 2.905 11.266 ( 0.910 2.759 0.000) 2.905 12.069 ( -5.656 -5.362 0.000) 7.793 12.069 ( 5.656 -5.362 0.000) 7.793 12.069 ( -5.656 5.362 0.000) 7.793 12.069 ( 5.656 5.362 0.000) 7.793 12.712 ( -12.932 -4.539 0.000) 13.705 12.712 ( -12.932 4.539 0.000) 13.705 12.712 ( 12.932 -4.539 0.000) 13.705 12.712 ( 12.932 4.539 0.000) 13.705 14.667 ( -4.860 -18.521 0.000) 19.148 14.667 ( 4.860 -18.521 0.000) 19.148 14.667 ( -4.860 18.521 0.000) 19.148 14.667 ( 4.860 18.521 0.000) 19.148 19.525 ( -4.009 -12.054 0.000) 12.703 19.525 ( 4.009 -12.054 0.000) 12.703 19.525 ( -4.009 12.054 0.000) 12.703 19.525 ( 4.009 12.054 0.000) 12.703 20.842 ( -10.574 -12.691 0.000) 16.519 20.842 ( 10.574 -12.691 0.000) 16.519 20.842 ( -10.574 12.691 0.000) 16.519 20.842 ( 10.574 12.691 0.000) 16.519 22.514 ( -5.493 -5.339 0.000) 7.660 22.514 ( 5.493 -5.339 0.000) 7.660 22.514 ( -5.493 5.339 0.000) 7.660 22.514 ( 5.493 5.339 0.000) 7.660 23.383 ( -12.726 -7.191 0.000) 14.617 23.383 ( 12.726 -7.191 0.000) 14.617 23.383 ( -12.726 7.191 0.000) 14.617 23.383 ( 12.726 7.191 0.000) 14.617 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 0.000 26.980) 26.980 0.563 ( 0.000 0.000 29.110) 29.110 0.997 ( 0.000 0.000 50.826) 50.826 1.835 ( 0.000 0.000 4.051) 4.051 2.092 ( 0.000 0.000 6.011) 6.011 2.431 ( 0.000 0.000 -2.834) 2.834 2.972 ( 0.000 0.000 -3.339) 3.339 3.034 ( 0.000 0.000 -3.788) 3.788 3.189 ( 0.000 0.000 -4.012) 4.012 3.199 ( 0.000 0.000 -4.313) 4.313 3.467 ( 0.000 0.000 3.837) 3.837 3.513 ( 0.000 0.000 -4.196) 4.196 3.659 ( 0.000 0.000 -1.654) 1.654 3.787 ( 0.000 0.000 -12.148) 12.148 3.966 ( 0.000 0.000 -1.136) 1.136 4.319 ( 0.000 0.000 13.623) 13.623 4.350 ( 0.000 0.000 -3.356) 3.356 4.575 ( 0.000 0.000 3.039) 3.039 4.698 ( 0.000 0.000 -2.604) 2.604 4.758 ( 0.000 0.000 -0.224) 0.224 4.770 ( 0.000 0.000 3.050) 3.050 4.915 ( 0.000 0.000 0.383) 0.383 4.972 ( 0.000 0.000 -7.183) 7.183 5.137 ( 0.000 0.000 -1.079) 1.079 5.163 ( 0.000 0.000 -8.833) 8.833 5.461 ( 0.000 0.000 -3.835) 3.835 5.739 ( 0.000 0.000 7.183) 7.183 5.757 ( 0.000 0.000 -0.028) 0.028 5.864 ( 0.000 0.000 1.801) 1.801 6.016 ( 0.000 0.000 6.561) 6.561 6.224 ( 0.000 0.000 1.219) 1.219 6.297 ( 0.000 0.000 -0.766) 0.766 6.565 ( 0.000 0.000 -7.520) 7.520 6.893 ( 0.000 0.000 2.073) 2.073 7.227 ( 0.000 0.000 -5.984) 5.984 7.391 ( 0.000 0.000 -6.121) 6.121 7.437 ( 0.000 0.000 -5.691) 5.691 7.523 ( 0.000 0.000 9.284) 9.284 7.524 ( 0.000 0.000 -2.403) 2.403 7.974 ( 0.000 0.000 2.231) 2.231 8.287 ( 0.000 0.000 -4.899) 4.899 8.298 ( 0.000 0.000 4.485) 4.485 8.509 ( 0.000 0.000 -1.394) 1.394 8.575 ( 0.000 0.000 -2.476) 2.476 8.651 ( 0.000 0.000 3.218) 3.218 8.841 ( 0.000 0.000 -0.346) 0.346 8.855 ( 0.000 0.000 0.233) 0.233 9.063 ( 0.000 0.000 2.801) 2.801 9.200 ( 0.000 0.000 -3.670) 3.670 9.203 ( 0.000 0.000 -5.012) 5.012 10.642 ( 0.000 0.000 -3.698) 3.698 10.846 ( 0.000 0.000 0.438) 0.438 10.910 ( 0.000 0.000 -2.971) 2.971 10.919 ( 0.000 0.000 -4.961) 4.961 11.197 ( 0.000 0.000 5.672) 5.672 11.440 ( 0.000 0.000 3.981) 3.981 11.887 ( 0.000 0.000 -8.892) 8.892 11.999 ( 0.000 0.000 -1.294) 1.294 12.040 ( 0.000 0.000 2.354) 2.354 12.127 ( 0.000 0.000 -14.143) 14.143 12.252 ( 0.000 0.000 -0.918) 0.918 12.471 ( 0.000 0.000 11.070) 11.070 12.655 ( 0.000 0.000 -0.796) 0.796 13.057 ( 0.000 0.000 6.782) 6.782 13.755 ( 0.000 0.000 7.335) 7.335 15.192 ( 0.000 0.000 -1.690) 1.690 15.711 ( 0.000 0.000 -0.202) 0.202 16.032 ( 0.000 0.000 -1.485) 1.485 18.610 ( 0.000 0.000 0.163) 0.163 18.640 ( 0.000 0.000 0.123) 0.123 18.678 ( 0.000 0.000 -0.176) 0.176 18.694 ( 0.000 0.000 -0.092) 0.092 20.449 ( 0.000 0.000 0.491) 0.491 20.569 ( 0.000 0.000 0.092) 0.092 21.188 ( 0.000 0.000 -2.701) 2.701 21.354 ( 0.000 0.000 -1.251) 1.251 22.038 ( 0.000 0.000 0.355) 0.355 22.228 ( 0.000 0.000 -1.615) 1.615 22.664 ( 0.000 0.000 -2.603) 2.603 22.929 ( 0.000 0.000 -3.117) 3.117 23.136 ( 0.000 0.000 8.026) 8.026 23.362 ( 0.000 0.000 6.214) 6.214 23.800 ( 0.000 0.000 0.921) 0.921 24.865 ( 0.000 0.000 -6.721) 6.721 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 21.473 0.000 16.027) 26.795 0.933 ( 22.514 0.000 20.680) 30.570 1.533 ( 37.223 0.000 26.116) 45.471 1.680 ( -12.997 0.000 5.100) 13.962 1.922 ( -10.510 0.000 9.821) 14.385 2.503 ( 5.612 0.000 -3.050) 6.388 2.821 ( -7.978 0.000 -3.603) 8.754 3.181 ( 7.602 0.000 -3.682) 8.447 3.227 ( 0.997 0.000 -6.610) 6.685 3.246 ( 2.423 0.000 -1.104) 2.663 3.308 ( -16.825 0.000 -3.665) 17.220 3.467 ( -4.142 0.000 -4.455) 6.083 3.599 ( 0.581 0.000 5.226) 5.259 3.859 ( -2.285 0.000 -2.046) 3.067 3.991 ( 2.948 0.000 0.297) 2.963 4.207 ( -1.338 0.000 4.673) 4.861 4.274 ( -6.828 0.000 -0.262) 6.833 4.608 ( 4.921 0.000 -3.001) 5.764 4.611 ( -8.628 0.000 1.938) 8.843 4.781 ( 3.600 0.000 -4.876) 6.061 4.861 ( 3.963 0.000 -4.723) 6.165 4.948 ( -0.874 0.000 -3.729) 3.830 4.973 ( 0.336 0.000 0.963) 1.020 5.119 ( -3.797 0.000 -5.768) 6.906 5.133 ( 1.537 0.000 -1.676) 2.274 5.334 ( -7.305 0.000 -0.862) 7.356 5.748 ( 1.806 0.000 2.537) 3.114 5.800 ( 2.111 0.000 1.136) 2.398 6.008 ( -0.272 0.000 6.916) 6.922 6.036 ( 9.033 0.000 -1.930) 9.237 6.154 ( -5.292 0.000 2.416) 5.817 6.233 ( -3.409 0.000 -2.571) 4.270 6.647 ( 7.432 0.000 -3.136) 8.067 6.943 ( 1.093 0.000 -1.153) 1.589 7.263 ( 2.593 0.000 -6.081) 6.611 7.289 ( -4.414 0.000 8.359) 9.453 7.366 ( -1.811 0.000 -5.437) 5.730 7.421 ( -3.833 0.000 -4.121) 5.628 7.628 ( 8.786 0.000 8.025) 11.899 8.142 ( -11.195 0.000 5.121) 12.311 8.154 ( 5.592 0.000 -3.730) 6.722 8.240 ( -2.041 0.000 -3.627) 4.162 8.372 ( -2.199 0.000 -2.502) 3.331 8.516 ( -3.339 0.000 1.163) 3.535 8.767 ( 7.623 0.000 2.894) 8.154 8.805 ( 8.736 0.000 3.877) 9.557 9.029 ( -3.140 0.000 2.728) 4.159 9.195 ( -0.235 0.000 -4.340) 4.347 9.200 ( -0.277 0.000 -4.127) 4.136 9.239 ( -0.892 0.000 -10.873) 10.910 10.669 ( 2.439 0.000 -3.689) 4.423 10.855 ( -4.788 0.000 -4.255) 6.405 10.880 ( 2.945 0.000 0.181) 2.951 11.043 ( -1.643 0.000 -3.632) 3.987 11.463 ( 17.421 0.000 -10.178) 20.176 11.530 ( 7.140 0.000 3.092) 7.781 11.862 ( -4.516 0.000 -4.021) 6.047 11.912 ( -8.503 0.000 1.900) 8.713 12.057 ( 6.195 0.000 -12.905) 14.315 12.192 ( 2.884 0.000 -19.337) 19.551 12.364 ( 7.083 0.000 -0.425) 7.096 12.530 ( 7.180 0.000 8.313) 10.984 12.617 ( -3.366 0.000 -0.709) 3.440 12.986 ( -6.567 0.000 4.346) 7.875 13.784 ( 2.889 0.000 10.996) 11.369 14.318 ( -31.761 0.000 34.791) 47.109 15.953 ( 4.639 0.000 -6.152) 7.705 16.029 ( -0.469 0.000 -1.719) 1.782 18.614 ( 0.364 0.000 0.148) 0.393 18.635 ( -0.386 0.000 0.114) 0.403 18.681 ( 0.221 0.000 -0.149) 0.266 18.692 ( -0.189 0.000 -0.095) 0.212 20.460 ( 1.661 0.000 0.102) 1.664 20.572 ( -1.835 0.000 2.045) 2.748 21.175 ( 4.821 0.000 -3.374) 5.885 21.509 ( -4.038 0.000 -7.264) 8.311 22.124 ( 8.747 0.000 -2.251) 9.033 22.444 ( 6.776 0.000 -5.282) 8.592 22.589 ( -2.688 0.000 -6.909) 7.414 22.834 ( -6.620 0.000 -3.840) 7.653 23.133 ( 3.693 0.000 8.030) 8.839 23.301 ( -2.288 0.000 5.084) 5.575 24.206 ( 18.120 0.000 -9.953) 20.674 24.718 ( -9.604 0.000 -0.059) 9.604 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -20.424 0.000 8.482) 22.115 1.303 ( 20.424 0.000 8.482) 22.115 1.435 ( -21.849 0.000 12.811) 25.328 1.435 ( 21.849 0.000 12.811) 25.328 2.568 ( -41.964 0.000 10.527) 43.264 2.568 ( 41.964 0.000 10.527) 43.264 2.649 ( -7.381 0.000 -3.454) 8.149 2.649 ( 7.381 0.000 -3.454) 8.149 3.288 ( -0.310 0.000 -1.347) 1.382 3.288 ( 0.310 0.000 -1.347) 1.382 3.342 ( -6.783 0.000 -4.136) 7.945 3.342 ( 6.783 0.000 -4.136) 7.945 3.700 ( -7.566 0.000 -1.809) 7.779 3.700 ( 7.566 0.000 -1.809) 7.779 4.107 ( -7.135 0.000 1.148) 7.227 4.107 ( 7.135 0.000 1.148) 7.227 4.379 ( -11.543 0.000 0.845) 11.573 4.379 ( 11.543 0.000 0.845) 11.573 4.743 ( -5.769 0.000 -7.721) 9.639 4.743 ( 5.769 0.000 -7.721) 9.639 4.935 ( -2.819 0.000 -1.610) 3.246 4.935 ( 2.819 0.000 -1.610) 3.246 5.011 ( -5.339 0.000 -0.973) 5.427 5.011 ( 5.339 0.000 -0.973) 5.427 5.203 ( -4.483 0.000 -0.925) 4.578 5.203 ( 4.483 0.000 -0.925) 4.578 5.802 ( -2.085 0.000 0.017) 2.085 5.802 ( 2.085 0.000 0.017) 2.085 6.042 ( -3.854 0.000 5.612) 6.808 6.042 ( 3.854 0.000 5.612) 6.808 6.163 ( -3.436 0.000 -3.822) 5.140 6.163 ( 3.436 0.000 -3.822) 5.140 6.847 ( -8.716 0.000 0.712) 8.745 6.847 ( 8.716 0.000 0.712) 8.745 7.319 ( -2.371 0.000 -5.664) 6.140 7.319 ( 2.371 0.000 -5.664) 6.140 7.320 ( -4.719 0.000 -0.180) 4.722 7.320 ( 4.719 0.000 -0.180) 4.722 7.872 ( -12.442 0.000 6.437) 14.009 7.872 ( 12.442 0.000 6.437) 14.009 8.208 ( -1.604 0.000 -3.989) 4.299 8.208 ( 1.604 0.000 -3.989) 4.299 8.424 ( -4.644 0.000 -0.315) 4.655 8.424 ( 4.644 0.000 -0.315) 4.655 8.925 ( -6.173 0.000 2.632) 6.711 8.925 ( 6.173 0.000 2.632) 6.711 9.051 ( -12.087 0.000 -1.378) 12.166 9.051 ( 12.087 0.000 -1.378) 12.166 9.194 ( -0.169 0.000 -4.098) 4.101 9.194 ( 0.169 0.000 -4.098) 4.101 10.747 ( -4.483 0.000 -3.761) 5.852 10.747 ( 4.483 0.000 -3.761) 5.852 10.963 ( -4.290 0.000 -0.406) 4.309 10.963 ( 4.290 0.000 -0.406) 4.309 11.715 ( -9.042 0.000 2.205) 9.307 11.715 ( 9.042 0.000 2.205) 9.307 11.722 ( -8.029 0.000 -3.276) 8.672 11.722 ( 8.029 0.000 -3.276) 8.672 12.174 ( -3.786 0.000 -17.307) 17.717 12.174 ( 3.786 0.000 -17.307) 17.717 12.512 ( -5.991 0.000 -0.510) 6.013 12.512 ( 5.991 0.000 -0.510) 6.013 12.773 ( -12.022 0.000 1.786) 12.154 12.773 ( 12.022 0.000 1.786) 12.154 13.909 ( -9.657 0.000 21.329) 23.414 13.909 ( 9.657 0.000 21.329) 23.414 16.008 ( -1.422 0.000 -2.847) 3.183 16.008 ( 1.422 0.000 -2.847) 3.183 18.625 ( -0.524 0.000 0.120) 0.538 18.625 ( 0.524 0.000 0.120) 0.538 18.687 ( -0.284 0.000 -0.111) 0.305 18.687 ( 0.284 0.000 -0.111) 0.305 20.513 ( -2.924 0.000 1.140) 3.138 20.513 ( 2.924 0.000 1.140) 3.138 21.337 ( -8.831 0.000 -3.773) 9.604 21.337 ( 8.831 0.000 -3.773) 9.604 22.330 ( -9.291 0.000 -0.578) 9.309 22.330 ( 9.291 0.000 -0.578) 9.309 22.697 ( -6.317 0.000 -8.866) 10.886 22.697 ( 6.317 0.000 -8.866) 10.886 23.233 ( -4.154 0.000 6.040) 7.330 23.233 ( 4.154 0.000 6.040) 7.330 24.501 ( -10.466 0.000 -3.053) 10.902 24.501 ( 10.466 0.000 -3.053) 10.902 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 18.746 20.594) 27.848 0.799 ( 0.000 20.331 19.296) 28.030 1.368 ( 0.000 33.042 33.108) 46.775 2.066 ( 0.000 19.942 3.328) 20.218 2.119 ( 0.000 5.009 5.478) 7.422 2.479 ( 0.000 4.587 -1.418) 4.801 2.950 ( 0.000 -2.579 -0.026) 2.579 3.074 ( 0.000 -3.086 -3.430) 4.614 3.167 ( 0.000 -4.528 -1.895) 4.908 3.208 ( 0.000 7.135 -5.718) 9.143 3.495 ( 0.000 3.849 1.048) 3.990 3.561 ( 0.000 2.516 -3.857) 4.605 3.592 ( 0.000 -5.722 -0.077) 5.722 3.775 ( 0.000 1.334 -8.527) 8.631 3.966 ( 0.000 -0.395 -4.578) 4.595 4.343 ( 0.000 3.021 8.969) 9.464 4.441 ( 0.000 -1.693 -2.907) 3.364 4.547 ( 0.000 2.390 -5.380) 5.887 4.716 ( 0.000 -4.278 1.377) 4.494 4.731 ( 0.000 -1.226 -4.177) 4.353 4.797 ( 0.000 -3.647 -1.680) 4.015 4.917 ( 0.000 3.121 -0.203) 3.128 5.026 ( 0.000 -4.894 -5.463) 7.335 5.033 ( 0.000 8.905 -3.523) 9.576 5.319 ( 0.000 8.837 -2.778) 9.263 5.355 ( 0.000 -8.709 0.650) 8.733 5.778 ( 0.000 1.760 -1.773) 2.498 5.816 ( 0.000 6.526 5.614) 8.608 5.878 ( 0.000 2.561 3.165) 4.071 6.123 ( 0.000 9.625 5.249) 10.963 6.313 ( 0.000 7.064 -0.161) 7.066 6.318 ( 0.000 2.439 -0.277) 2.455 6.542 ( 0.000 -1.640 -7.505) 7.682 6.875 ( 0.000 -1.416 1.270) 1.902 7.137 ( 0.000 -12.544 10.843) 16.580 7.353 ( 0.000 -3.921 -6.895) 7.932 7.361 ( 0.000 7.578 -8.537) 11.415 7.441 ( 0.000 0.190 -2.949) 2.955 7.727 ( 0.000 5.537 4.972) 7.442 7.874 ( 0.000 -9.033 1.969) 9.245 8.196 ( 0.000 -7.907 -3.423) 8.616 8.350 ( 0.000 3.866 3.708) 5.357 8.413 ( 0.000 -7.263 -0.334) 7.271 8.473 ( 0.000 -8.683 -1.198) 8.766 8.477 ( 0.000 -7.196 5.937) 9.329 8.795 ( 0.000 -3.509 -1.915) 3.997 8.831 ( 0.000 0.852 0.281) 0.897 9.074 ( 0.000 -3.742 0.833) 3.833 9.250 ( 0.000 7.603 -2.134) 7.896 9.612 ( 0.000 15.444 -16.392) 22.522 10.710 ( 0.000 5.427 -4.659) 7.152 10.763 ( 0.000 -8.780 -3.304) 9.381 10.884 ( 0.000 3.966 0.032) 3.966 11.006 ( 0.000 3.413 -5.688) 6.634 11.259 ( 0.000 5.434 6.644) 8.583 11.450 ( 0.000 -8.159 0.989) 8.219 11.838 ( 0.000 -0.982 -8.185) 8.244 12.006 ( 0.000 3.022 -2.919) 4.202 12.079 ( 0.000 -4.483 -12.890) 13.647 12.260 ( 0.000 0.809 -1.168) 1.420 12.436 ( 0.000 4.612 -1.046) 4.729 12.594 ( 0.000 28.576 -14.018) 31.829 12.678 ( 0.000 1.340 -3.063) 3.344 13.019 ( 0.000 -3.130 8.536) 9.092 13.795 ( 0.000 4.146 7.221) 8.326 14.920 ( 0.000 -36.220 40.061) 54.007 15.135 ( 0.000 -5.641 -1.424) 5.818 15.892 ( 0.000 -13.059 -0.570) 13.071 18.726 ( 0.000 8.554 -0.064) 8.554 18.769 ( 0.000 14.680 -0.560) 14.690 18.776 ( 0.000 8.130 -0.125) 8.131 19.829 ( 0.000 54.613 -57.581) 79.361 20.420 ( 0.000 -1.556 -0.822) 1.760 20.548 ( 0.000 -1.979 -0.009) 1.979 21.194 ( 0.000 0.622 -3.052) 3.115 21.322 ( 0.000 -3.033 -1.965) 3.614 22.040 ( 0.000 0.365 0.338) 0.497 22.222 ( 0.000 -0.606 -1.536) 1.651 22.660 ( 0.000 -0.399 -2.176) 2.212 22.914 ( 0.000 -1.800 -2.820) 3.346 23.130 ( 0.000 -0.548 8.144) 8.162 23.378 ( 0.000 1.714 5.663) 5.917 23.470 ( 0.000 -23.429 26.072) 35.052 24.539 ( 0.000 -18.261 4.753) 18.869 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 19.448 15.054 14.339) 28.468 1.065 ( 18.427 13.138 17.915) 28.864 1.748 ( 19.073 18.259 15.968) 30.857 1.880 ( -14.603 16.958 4.859) 22.900 1.994 ( 0.271 10.698 12.318) 16.317 2.568 ( 6.275 6.652 -1.698) 9.301 2.871 ( -5.924 3.218 -1.826) 6.985 3.154 ( 4.383 -6.431 -1.591) 7.944 3.188 ( 1.918 -5.890 -1.905) 6.481 3.228 ( -4.051 1.712 -6.204) 7.605 3.332 ( -8.316 4.705 -2.092) 9.781 3.534 ( 2.177 2.344 -1.466) 3.519 3.607 ( -5.790 5.309 -1.815) 8.063 3.806 ( 0.101 -4.056 -0.842) 4.143 3.999 ( 1.919 0.217 -1.157) 2.251 4.178 ( -5.944 0.423 5.487) 8.101 4.394 ( -7.029 6.156 -2.086) 9.573 4.486 ( 0.166 -3.428 0.748) 3.513 4.736 ( 0.477 -2.882 -1.653) 3.357 4.751 ( -0.723 0.993 -5.916) 6.042 4.783 ( 1.226 -5.662 -5.364) 7.896 4.901 ( -1.542 -1.515 -0.848) 2.322 5.020 ( 2.021 -3.644 -3.641) 5.533 5.117 ( 2.177 8.412 -4.467) 9.770 5.261 ( -5.053 -5.365 2.587) 7.810 5.282 ( -2.606 9.684 -1.540) 10.146 5.809 ( 1.959 4.684 -0.087) 5.078 5.846 ( 2.065 4.996 2.717) 6.051 5.998 ( 6.480 -1.042 0.189) 6.566 6.100 ( -1.654 8.180 5.019) 9.739 6.261 ( -2.762 5.885 -0.655) 6.534 6.279 ( -2.999 7.340 -0.457) 7.942 6.603 ( 5.976 -3.838 -3.420) 7.883 6.866 ( -1.433 -5.176 -0.159) 5.373 7.164 ( 2.775 -8.121 6.794) 10.946 7.322 ( -0.987 -2.372 -5.174) 5.777 7.387 ( -0.865 3.783 -7.068) 8.064 7.422 ( -1.478 1.688 -2.520) 3.374 7.704 ( 4.484 5.375 7.421) 10.201 7.995 ( 2.328 -9.318 -0.230) 9.608 8.162 ( -3.166 -5.657 -2.872) 7.091 8.213 ( -5.604 -1.350 0.753) 5.813 8.360 ( -0.243 -0.580 -0.841) 1.050 8.478 ( -0.946 -2.941 0.627) 3.153 8.617 ( 7.195 -11.035 3.193) 13.555 8.775 ( 0.633 -2.331 1.438) 2.812 8.935 ( 3.090 -9.283 -2.581) 10.119 9.047 ( -2.312 -3.648 0.558) 4.355 9.278 ( 2.731 9.157 -2.167) 9.798 9.537 ( -6.522 12.755 -8.874) 16.851 10.740 ( 2.710 5.696 -4.787) 7.918 10.882 ( 0.722 -1.315 -7.276) 7.429 10.917 ( 2.534 2.721 -0.530) 3.756 11.033 ( 2.004 -1.089 -5.052) 5.543 11.253 ( 4.551 -4.125 4.416) 7.565 11.489 ( 1.030 -11.392 2.451) 11.698 11.854 ( 0.766 -0.342 -7.377) 7.425 11.927 ( -3.903 3.281 -5.453) 7.465 12.132 ( 3.638 0.401 -8.624) 9.368 12.322 ( 2.798 1.576 -2.683) 4.185 12.497 ( -5.112 16.480 -5.975) 18.260 12.532 ( 7.890 2.718 -1.473) 8.474 12.641 ( -3.072 1.674 -4.629) 5.802 12.961 ( -5.816 -1.618 4.514) 7.538 13.831 ( 3.399 4.943 10.298) 11.918 14.290 ( -23.460 -1.315 31.010) 38.906 15.612 ( 14.715 -23.355 0.476) 27.608 15.874 ( -1.752 -14.073 -0.669) 14.198 18.725 ( -0.055 8.454 -0.040) 8.455 18.740 ( -0.982 9.412 -0.125) 9.464 18.833 ( 3.738 15.553 -0.897) 16.021 19.286 ( -23.927 42.168 -14.394) 50.575 20.442 ( 1.871 -1.381 -0.468) 2.372 20.555 ( -1.821 -1.507 1.928) 3.050 21.143 ( 4.381 -3.254 -2.910) 6.185 21.477 ( -4.156 -3.232 -7.210) 8.928 22.134 ( 8.651 1.009 -2.272) 9.001 22.436 ( 7.878 -0.867 -6.049) 9.971 22.582 ( -3.513 -0.621 -5.589) 6.631 22.814 ( -6.333 -1.994 -3.168) 7.356 23.136 ( 4.138 0.267 8.237) 9.222 23.310 ( -2.051 0.979 4.563) 5.098 23.962 ( 23.088 -21.598 3.326) 31.790 24.483 ( -4.954 -16.671 3.366) 17.714 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -17.153 13.037 8.755) 23.257 1.475 ( 17.153 13.037 8.755) 23.257 1.505 ( -15.918 8.857 11.530) 21.559 1.505 ( 15.918 8.857 11.530) 21.559 2.642 ( -25.964 9.326 4.384) 27.934 2.642 ( 25.964 9.326 4.384) 27.934 2.747 ( -7.541 7.148 0.947) 10.434 2.747 ( 7.541 7.148 0.947) 10.434 3.212 ( -0.415 -6.900 -0.530) 6.933 3.212 ( 0.415 -6.900 -0.530) 6.933 3.434 ( -7.803 7.537 -3.996) 11.561 3.434 ( 7.803 7.537 -3.996) 11.561 3.653 ( -8.022 -2.544 -1.995) 8.649 3.653 ( 8.022 -2.544 -1.995) 8.649 4.101 ( -6.004 -1.388 3.154) 6.923 4.101 ( 6.004 -1.388 3.154) 6.923 4.399 ( -6.692 2.478 -1.675) 7.330 4.399 ( 6.692 2.478 -1.675) 7.330 4.737 ( -0.964 -2.898 -5.231) 6.057 4.737 ( 0.964 -2.898 -5.231) 6.057 4.847 ( -3.161 -3.370 -2.628) 5.316 4.847 ( 3.161 -3.370 -2.628) 5.316 5.084 ( -3.494 -1.921 -3.046) 5.018 5.084 ( 3.494 -1.921 -3.046) 5.018 5.231 ( -1.578 8.031 0.837) 8.227 5.231 ( 1.578 8.031 0.837) 8.227 5.858 ( -1.449 4.857 -0.140) 5.071 5.858 ( 1.449 4.857 -0.140) 5.071 6.069 ( -1.168 2.699 2.441) 3.822 6.069 ( 1.168 2.699 2.441) 3.822 6.233 ( -0.540 7.294 -0.926) 7.373 6.233 ( 0.540 7.294 -0.926) 7.373 6.769 ( -7.240 -6.170 0.082) 9.513 6.769 ( 7.240 -6.170 0.082) 9.513 7.257 ( -4.790 -5.496 -0.885) 7.344 7.257 ( 4.790 -5.496 -0.885) 7.344 7.386 ( -1.381 4.031 -3.729) 5.662 7.386 ( 1.381 4.031 -3.729) 5.662 7.881 ( -9.325 0.630 4.988) 10.594 7.881 ( 9.325 0.630 4.988) 10.594 8.147 ( -1.860 -5.865 -3.604) 7.130 8.147 ( 1.860 -5.865 -3.604) 7.130 8.416 ( -3.881 -0.491 -0.170) 3.915 8.416 ( 3.881 -0.491 -0.170) 3.915 8.753 ( -4.012 -11.523 1.815) 12.336 8.753 ( 4.012 -11.523 1.815) 12.336 8.985 ( -2.703 -4.796 -0.779) 5.560 8.985 ( 2.703 -4.796 -0.779) 5.560 9.379 ( -6.449 11.807 -3.367) 13.868 9.379 ( 6.449 11.807 -3.367) 13.868 10.820 ( -4.113 5.275 -5.572) 8.705 10.820 ( 4.113 5.275 -5.572) 8.705 10.988 ( -3.700 2.158 -1.159) 4.438 10.988 ( 3.700 2.158 -1.159) 4.438 11.427 ( -6.783 -14.514 1.561) 16.097 11.427 ( 6.783 -14.514 1.561) 16.097 11.871 ( -1.388 3.238 -5.246) 6.319 11.871 ( 1.388 3.238 -5.246) 6.319 12.248 ( -6.469 5.843 -7.875) 11.747 12.248 ( 6.469 5.843 -7.875) 11.747 12.528 ( -5.124 1.142 -1.138) 5.372 12.528 ( 5.124 1.142 -1.138) 5.372 12.768 ( -10.683 -0.261 -0.315) 10.690 12.768 ( 10.683 -0.261 -0.315) 10.690 13.959 ( -8.868 5.265 18.786) 21.431 13.959 ( 8.868 5.265 18.786) 21.431 15.806 ( -4.891 -17.434 -0.871) 18.128 15.806 ( 4.891 -17.434 -0.871) 18.128 18.727 ( -0.293 8.480 -0.031) 8.485 18.727 ( 0.293 8.480 -0.031) 8.485 18.958 ( -8.458 24.424 -2.881) 26.007 18.958 ( 8.458 24.424 -2.881) 26.007 20.497 ( -2.911 -1.482 1.008) 3.418 20.497 ( 2.911 -1.482 1.008) 3.418 21.303 ( -8.904 -3.444 -3.784) 10.269 21.303 ( 8.904 -3.444 -3.784) 10.269 22.336 ( -9.093 0.690 -0.628) 9.141 22.336 ( 9.093 0.690 -0.628) 9.141 22.681 ( -6.267 -1.568 -8.543) 10.711 22.681 ( 6.267 -1.568 -8.543) 10.711 23.242 ( -4.335 0.950 5.950) 7.423 23.242 ( 4.335 0.950 5.950) 7.423 24.317 ( -10.585 -16.552 0.298) 19.650 24.317 ( 10.585 -16.552 0.298) 19.650 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 23.605 12.898) 26.899 1.251 ( 0.000 24.286 10.226) 26.351 2.020 ( 0.000 25.178 12.967) 28.321 2.307 ( 0.000 18.601 7.674) 20.122 2.526 ( 0.000 23.060 2.847) 23.235 2.586 ( 0.000 5.039 1.257) 5.193 2.858 ( 0.000 -6.771 2.478) 7.210 2.931 ( 0.000 -8.424 -2.308) 8.735 3.014 ( 0.000 -9.879 3.668) 10.538 3.361 ( 0.000 0.020 -3.295) 3.295 3.520 ( 0.000 -3.156 -2.655) 4.124 3.540 ( 0.000 7.122 2.199) 7.454 3.624 ( 0.000 5.098 -0.325) 5.108 3.898 ( 0.000 8.437 -3.215) 9.029 3.978 ( 0.000 4.053 -11.812) 12.489 4.415 ( 0.000 -1.177 -2.986) 3.209 4.433 ( 0.000 4.457 0.460) 4.481 4.454 ( 0.000 -9.213 -4.570) 10.285 4.579 ( 0.000 -7.604 -1.101) 7.684 4.640 ( 0.000 -7.510 1.090) 7.589 4.692 ( 0.000 -5.565 0.723) 5.612 4.926 ( 0.000 -5.161 -4.890) 7.110 4.998 ( 0.000 1.955 -0.616) 2.050 5.171 ( 0.000 -9.469 4.428) 10.453 5.331 ( 0.000 19.345 -3.905) 19.735 5.499 ( 0.000 9.617 -3.690) 10.301 5.838 ( 0.000 5.282 -3.595) 6.389 5.953 ( 0.000 6.161 4.393) 7.566 5.971 ( 0.000 6.042 2.533) 6.552 6.347 ( 0.000 11.899 2.414) 12.141 6.376 ( 0.000 -1.848 -0.467) 1.906 6.409 ( 0.000 7.546 1.970) 7.799 6.576 ( 0.000 5.788 -8.479) 10.266 6.863 ( 0.000 0.906 0.633) 1.105 6.958 ( 0.000 -5.890 5.540) 8.087 7.240 ( 0.000 -7.417 -4.953) 8.918 7.435 ( 0.000 -0.898 -0.819) 1.215 7.506 ( 0.000 4.465 -8.271) 9.399 7.652 ( 0.000 -13.053 1.044) 13.095 7.813 ( 0.000 2.221 4.892) 5.372 8.017 ( 0.000 -7.671 -2.313) 8.012 8.280 ( 0.000 -6.339 1.067) 6.428 8.295 ( 0.000 -8.197 -0.377) 8.205 8.344 ( 0.000 -5.766 3.897) 6.960 8.398 ( 0.000 -0.210 2.672) 2.680 8.738 ( 0.000 -1.442 -2.468) 2.858 8.846 ( 0.000 0.394 0.006) 0.394 8.923 ( 0.000 -10.405 0.536) 10.418 9.463 ( 0.000 13.034 -0.547) 13.046 9.828 ( 0.000 9.032 -10.438) 13.803 10.581 ( 0.000 -9.622 -3.947) 10.400 10.752 ( 0.000 -4.617 -6.650) 8.095 11.002 ( 0.000 7.637 -0.292) 7.643 11.065 ( 0.000 2.842 -6.696) 7.274 11.245 ( 0.000 -7.810 1.967) 8.054 11.369 ( 0.000 4.848 7.650) 9.057 11.860 ( 0.000 2.724 -5.586) 6.215 11.976 ( 0.000 -5.289 -10.242) 11.527 12.040 ( 0.000 0.815 2.371) 2.507 12.282 ( 0.000 1.420 -1.707) 2.220 12.436 ( 0.000 -1.221 2.060) 2.395 12.645 ( 0.000 -5.892 -4.609) 7.481 12.992 ( 0.000 1.662 9.616) 9.758 13.066 ( 0.000 15.067 -18.941) 24.203 13.930 ( 0.000 10.116 5.380) 11.458 14.547 ( 0.000 -5.450 29.023) 29.531 14.978 ( 0.000 -10.071 -0.748) 10.098 15.575 ( 0.000 -18.067 1.052) 18.097 18.960 ( 0.000 14.803 -0.542) 14.813 18.990 ( 0.000 12.850 0.060) 12.850 19.105 ( 0.000 17.477 -1.423) 17.535 20.177 ( 0.000 -7.166 -9.280) 11.724 20.501 ( 0.000 -2.398 -0.405) 2.432 20.610 ( 0.000 13.780 -29.567) 32.620 21.210 ( 0.000 0.894 -4.214) 4.307 21.252 ( 0.000 -3.259 -5.755) 6.614 22.056 ( 0.000 1.327 -0.170) 1.338 22.204 ( 0.000 -1.217 -1.382) 1.841 22.653 ( 0.000 -0.240 -1.016) 1.044 22.843 ( 0.000 -5.329 2.133) 5.740 23.115 ( 0.000 -0.969 8.304) 8.360 23.155 ( 0.000 -8.066 23.691) 25.026 23.434 ( 0.000 4.112 4.461) 6.067 24.227 ( 0.000 -14.737 1.062) 14.775 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 13.966 19.416 11.176) 26.400 1.410 ( 12.868 20.375 11.283) 26.609 2.022 ( -8.942 11.262 5.889) 15.539 2.222 ( -17.579 15.569 4.322) 23.877 2.423 ( 16.916 25.327 11.123) 32.424 2.737 ( 5.696 7.339 0.477) 9.302 2.876 ( 1.017 -2.245 1.358) 2.814 2.980 ( 2.487 -8.522 -0.383) 8.886 3.025 ( 0.870 -9.683 1.519) 9.840 3.245 ( -8.064 -0.084 -3.041) 8.619 3.474 ( 0.713 8.477 -2.737) 8.937 3.603 ( 0.375 6.748 -2.912) 7.359 3.717 ( 4.615 -0.900 1.913) 5.076 3.812 ( -5.979 8.980 -2.192) 11.008 4.003 ( 1.404 1.568 -6.781) 7.100 4.253 ( -11.796 6.425 4.235) 14.084 4.411 ( -1.824 -3.817 -3.628) 5.573 4.473 ( 2.213 1.410 -0.531) 2.677 4.600 ( 1.064 -9.945 -3.314) 10.536 4.650 ( 2.454 -7.845 -3.905) 9.101 4.684 ( -0.767 -5.140 1.083) 5.308 4.871 ( -3.915 -3.661 -5.366) 7.584 5.005 ( 0.335 0.412 0.532) 0.752 5.104 ( -4.734 -6.981 4.499) 9.559 5.379 ( 3.254 14.942 -4.078) 15.827 5.480 ( -1.551 10.278 -3.572) 10.991 5.890 ( 2.936 3.654 -3.452) 5.822 5.951 ( -0.005 3.228 0.109) 3.230 6.055 ( 6.024 7.728 4.031) 10.595 6.300 ( -4.036 11.052 2.177) 11.966 6.394 ( 0.054 8.993 1.059) 9.055 6.447 ( 4.031 5.068 0.299) 6.483 6.549 ( -0.608 1.827 -5.881) 6.188 6.799 ( -4.903 -0.851 -0.114) 4.978 7.014 ( 4.351 -6.590 3.662) 8.704 7.199 ( -2.998 -8.100 -3.676) 9.387 7.425 ( -0.771 -1.349 -0.948) 1.820 7.452 ( -2.738 -0.724 -3.094) 4.195 7.753 ( 6.287 -5.483 -1.506) 8.477 7.844 ( 1.863 -3.081 1.474) 3.891 8.010 ( -0.560 -6.794 -1.964) 7.094 8.152 ( -7.229 -3.597 2.069) 8.335 8.332 ( 3.460 -2.489 0.059) 4.262 8.388 ( 4.027 -6.395 1.232) 7.657 8.488 ( 2.880 -2.573 2.875) 4.814 8.682 ( -4.813 -4.429 -1.217) 6.653 8.844 ( 0.283 -1.930 0.188) 1.959 8.908 ( -1.274 -9.443 0.394) 9.537 9.501 ( 3.436 12.914 -1.312) 13.427 9.751 ( -5.908 10.204 -7.268) 13.851 10.700 ( 7.525 -12.834 -6.126) 16.089 10.775 ( 1.755 -5.918 -6.828) 9.205 11.014 ( 1.108 6.511 -1.026) 6.683 11.067 ( -0.057 3.259 -5.689) 6.557 11.231 ( -0.581 -3.641 1.835) 4.119 11.334 ( -2.932 0.964 5.361) 6.186 11.877 ( 1.292 2.433 -5.837) 6.454 11.938 ( -1.699 -0.709 -6.525) 6.779 12.138 ( 7.186 -0.385 1.319) 7.316 12.331 ( 3.302 1.083 -1.214) 3.681 12.503 ( 4.701 -2.224 5.281) 7.412 12.614 ( -1.134 -4.566 -6.209) 7.790 12.800 ( -13.003 8.189 -2.109) 15.511 12.990 ( -7.856 4.735 -4.736) 10.323 13.987 ( 4.746 11.105 7.359) 14.142 14.327 ( -11.661 5.777 20.824) 24.556 15.212 ( 12.728 -17.723 1.783) 21.892 15.542 ( -3.126 -18.547 1.012) 18.836 18.955 ( -0.389 14.442 -0.422) 14.453 18.965 ( -1.238 13.278 -0.025) 13.336 19.195 ( 7.327 18.192 -2.069) 19.721 19.868 ( -23.212 12.851 -12.460) 29.312 20.449 ( -0.612 2.487 -3.839) 4.615 20.549 ( -3.615 3.767 -0.859) 5.291 21.048 ( 2.863 -6.324 -1.594) 7.123 21.385 ( -5.004 -6.047 -7.056) 10.554 22.163 ( 8.514 1.998 -2.386) 9.065 22.406 ( 10.310 -2.248 -7.339) 12.853 22.571 ( -5.401 -0.251 -2.281) 5.869 22.757 ( -5.242 -3.670 -1.197) 6.510 23.144 ( 5.403 0.652 8.553) 10.138 23.335 ( 1.183 0.807 4.260) 4.494 23.580 ( 17.614 -13.424 13.639) 26.009 24.164 ( -5.865 -15.782 1.688) 16.921 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -14.348 14.096 9.699) 22.330 1.705 ( 14.348 14.096 9.699) 22.330 1.790 ( -17.961 15.283 7.511) 24.750 1.790 ( 17.961 15.283 7.511) 24.750 2.814 ( -3.805 -0.932 0.704) 3.980 2.814 ( 3.805 -0.932 0.704) 3.980 2.900 ( -8.725 5.192 -0.215) 10.155 2.900 ( 8.725 5.192 -0.215) 10.155 3.081 ( -4.339 2.281 1.734) 5.200 3.081 ( 4.339 2.281 1.734) 5.200 3.554 ( -5.935 5.299 -3.873) 8.849 3.554 ( 5.935 5.299 -3.873) 8.849 3.714 ( -2.642 7.987 0.526) 8.429 3.714 ( 2.642 7.987 0.526) 8.429 4.076 ( -5.604 0.341 2.036) 5.972 4.076 ( 5.604 0.341 2.036) 5.972 4.442 ( -3.724 0.419 -3.606) 5.201 4.442 ( 3.724 0.419 -3.606) 5.201 4.634 ( -2.053 -6.001 0.562) 6.367 4.634 ( 2.053 -6.001 0.562) 6.367 4.768 ( -5.373 -5.507 -6.110) 9.825 4.768 ( 5.373 -5.507 -6.110) 9.825 5.023 ( -1.953 -3.331 2.601) 4.655 5.023 ( 1.953 -3.331 2.601) 4.655 5.439 ( -2.162 11.638 -3.576) 12.365 5.439 ( 2.162 11.638 -3.576) 12.365 5.940 ( -1.340 2.480 -2.379) 3.688 5.940 ( 1.340 2.480 -2.379) 3.688 6.186 ( -5.705 9.496 2.947) 11.463 6.186 ( 5.705 9.496 2.947) 11.463 6.429 ( -2.749 11.736 -1.160) 12.109 6.429 ( 2.749 11.736 -1.160) 12.109 6.662 ( -7.372 -3.733 -0.587) 8.284 6.662 ( 7.372 -3.733 -0.587) 8.284 7.119 ( -4.443 -8.016 -0.546) 9.181 7.119 ( 4.443 -8.016 -0.546) 9.181 7.416 ( -0.440 -1.539 -1.150) 1.971 7.416 ( 0.440 -1.539 -1.150) 1.971 7.857 ( -1.824 -5.905 -1.490) 6.358 7.857 ( 1.824 -5.905 -1.490) 6.358 8.025 ( -3.268 -3.476 0.394) 4.787 8.025 ( 3.268 -3.476 0.394) 4.787 8.422 ( -3.077 0.922 -0.165) 3.216 8.422 ( 3.077 0.922 -0.165) 3.216 8.554 ( -5.560 -8.190 1.837) 10.068 8.554 ( 5.560 -8.190 1.837) 10.068 8.871 ( -1.873 -6.418 0.305) 6.693 8.871 ( 1.873 -6.418 0.305) 6.693 9.610 ( -6.181 12.091 -3.545) 14.034 9.610 ( 6.181 12.091 -3.545) 14.034 10.798 ( -0.865 -10.440 -7.064) 12.635 10.798 ( 0.865 -10.440 -7.064) 12.635 11.047 ( -1.668 4.406 -2.955) 5.561 11.047 ( 1.668 4.406 -2.955) 5.561 11.259 ( -3.119 -1.513 2.258) 4.138 11.259 ( 3.119 -1.513 2.258) 4.138 11.907 ( -1.295 1.819 -5.564) 5.995 11.907 ( 1.295 1.819 -5.564) 5.995 12.320 ( -6.976 0.018 2.357) 7.364 12.320 ( 6.976 0.018 2.357) 7.364 12.553 ( -5.579 2.115 -0.687) 6.006 12.553 ( 5.579 2.115 -0.687) 6.006 12.767 ( -10.702 -0.084 -3.237) 11.181 12.767 ( 10.702 -0.084 -3.237) 11.181 14.122 ( -7.384 11.213 12.755) 18.519 14.122 ( 7.384 11.213 12.755) 18.519 15.431 ( -7.156 -19.420 1.115) 20.726 15.431 ( 7.156 -19.420 1.115) 20.726 18.950 ( -0.116 13.769 -0.182) 13.771 18.950 ( 0.116 13.769 -0.182) 13.771 19.432 ( -14.838 19.839 -4.973) 25.268 19.432 ( 14.838 19.839 -4.973) 25.268 20.478 ( -2.613 0.751 0.208) 2.727 20.478 ( 2.613 0.751 0.208) 2.727 21.201 ( -9.160 -6.935 -3.815) 12.106 21.201 ( 9.160 -6.935 -3.815) 12.106 22.359 ( -8.613 1.719 -0.918) 8.831 22.359 ( 8.613 1.719 -0.918) 8.831 22.635 ( -6.243 -3.154 -7.459) 10.225 22.635 ( 6.243 -3.154 -7.459) 10.225 23.273 ( -5.127 2.301 5.828) 8.096 23.273 ( 5.127 2.301 5.828) 8.096 23.955 ( -13.477 -18.158 4.998) 23.158 23.955 ( 13.477 -18.158 4.998) 23.158 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 24.429 6.587) 25.302 1.721 ( 0.000 22.947 5.076) 23.502 2.295 ( 0.000 7.171 4.818) 8.639 2.517 ( 0.000 -14.312 1.317) 14.373 2.545 ( 0.000 -5.918 1.925) 6.223 2.757 ( 0.000 -6.224 7.022) 9.383 2.871 ( 0.000 0.656 3.297) 3.361 2.878 ( 0.000 13.584 -0.214) 13.586 3.059 ( 0.000 24.325 6.471) 25.171 3.278 ( 0.000 -2.738 4.846) 5.566 3.435 ( 0.000 -5.560 1.811) 5.847 3.676 ( 0.000 -0.043 -2.686) 2.686 3.786 ( 0.000 13.342 0.101) 13.342 4.028 ( 0.000 6.361 -6.750) 9.275 4.153 ( 0.000 8.232 -5.635) 9.976 4.242 ( 0.000 -9.205 -6.147) 11.068 4.300 ( 0.000 -12.296 -2.657) 12.580 4.384 ( 0.000 -4.761 -2.710) 5.479 4.468 ( 0.000 -7.105 -2.915) 7.680 4.614 ( 0.000 -2.952 -1.293) 3.222 4.647 ( 0.000 9.125 4.234) 10.060 4.816 ( 0.000 -4.015 -0.832) 4.100 4.974 ( 0.000 -4.389 -0.171) 4.392 4.996 ( 0.000 -8.212 4.938) 9.582 5.688 ( 0.000 9.504 -3.389) 10.090 5.710 ( 0.000 17.005 -6.179) 18.093 5.971 ( 0.000 5.754 -5.173) 7.738 6.002 ( 0.000 -1.699 0.598) 1.801 6.093 ( 0.000 6.819 0.781) 6.863 6.322 ( 0.000 -2.909 1.595) 3.318 6.555 ( 0.000 10.400 -0.819) 10.432 6.625 ( 0.000 12.404 2.163) 12.591 6.690 ( 0.000 4.838 -9.405) 10.577 6.899 ( 0.000 -0.084 2.858) 2.859 6.921 ( 0.000 4.288 1.348) 4.495 7.068 ( 0.000 -9.865 -1.987) 10.063 7.364 ( 0.000 -11.163 -1.350) 11.244 7.441 ( 0.000 -1.508 1.862) 2.396 7.453 ( 0.000 -9.894 -4.164) 10.734 7.702 ( 0.000 -9.880 -4.431) 10.828 8.052 ( 0.000 7.012 3.701) 7.929 8.176 ( 0.000 -3.601 -0.143) 3.603 8.194 ( 0.000 -1.923 4.536) 4.927 8.285 ( 0.000 1.290 1.148) 1.727 8.331 ( 0.000 -5.841 1.426) 6.013 8.677 ( 0.000 -11.881 1.427) 11.966 8.765 ( 0.000 1.386 -0.370) 1.435 8.842 ( 0.000 -0.864 0.143) 0.876 9.754 ( 0.000 16.587 -1.349) 16.641 10.004 ( 0.000 9.095 -8.319) 12.326 10.390 ( 0.000 -9.730 -4.990) 10.935 10.501 ( 0.000 -18.155 -4.086) 18.609 11.117 ( 0.000 2.329 -6.675) 7.070 11.132 ( 0.000 3.655 0.051) 3.655 11.223 ( 0.000 4.681 -2.814) 5.462 11.418 ( 0.000 -0.564 5.379) 5.408 11.900 ( 0.000 -1.811 -4.805) 5.135 11.915 ( 0.000 1.390 -0.846) 1.627 12.077 ( 0.000 4.567 3.367) 5.674 12.311 ( 0.000 1.096 -1.762) 2.075 12.405 ( 0.000 -1.769 -1.329) 2.213 12.472 ( 0.000 -10.207 -2.087) 10.418 13.068 ( 0.000 5.067 5.888) 7.768 13.205 ( 0.000 0.920 -5.761) 5.834 14.186 ( 0.000 14.979 1.070) 15.017 14.602 ( 0.000 9.324 15.595) 18.170 14.750 ( 0.000 -12.874 -0.009) 12.874 15.211 ( 0.000 -18.541 2.998) 18.782 19.245 ( 0.000 12.117 0.055) 12.117 19.285 ( 0.000 17.582 -1.228) 17.624 19.382 ( 0.000 9.094 -1.163) 9.168 19.952 ( 0.000 -14.345 -3.175) 14.692 20.483 ( 0.000 1.460 -1.535) 2.118 20.698 ( 0.000 -3.348 -12.272) 12.720 21.222 ( 0.000 0.075 -11.352) 11.352 21.225 ( 0.000 0.599 -6.442) 6.469 22.091 ( 0.000 2.131 -0.943) 2.330 22.175 ( 0.000 -1.795 -1.300) 2.217 22.655 ( 0.000 0.584 0.723) 0.930 22.741 ( 0.000 -4.320 5.144) 6.717 23.082 ( 0.000 -1.092 13.063) 13.109 23.095 ( 0.000 -0.983 8.550) 8.606 23.543 ( 0.000 7.127 3.164) 7.798 23.950 ( 0.000 -13.280 0.856) 13.308 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 8.604 21.627 5.951) 24.024 1.826 ( 8.763 21.336 6.882) 24.070 2.255 ( -6.485 12.141 5.004) 14.646 2.456 ( -12.580 5.757 3.470) 14.263 2.532 ( 2.395 -11.292 1.774) 11.679 2.638 ( -1.666 -10.402 2.685) 10.871 2.773 ( -0.891 -11.372 5.714) 12.758 2.881 ( -8.294 -5.261 0.659) 9.844 3.178 ( 10.537 22.001 1.835) 24.463 3.327 ( 5.783 10.625 1.303) 12.167 3.581 ( 7.004 -0.500 -0.004) 7.022 3.673 ( 0.113 0.296 -1.328) 1.365 3.802 ( 1.721 10.163 1.399) 10.402 3.983 ( -4.369 8.245 -3.025) 9.809 4.105 ( -1.538 7.034 -8.111) 10.846 4.259 ( 1.032 -5.301 -6.888) 8.753 4.347 ( 2.505 -12.120 0.074) 12.376 4.430 ( -1.855 -1.228 -1.217) 2.536 4.450 ( -0.897 -5.656 -0.813) 5.784 4.583 ( -0.325 4.657 0.493) 4.694 4.592 ( -0.518 -1.817 0.337) 1.919 4.793 ( -2.857 -2.537 -1.489) 4.101 4.953 ( -2.188 -6.950 3.961) 8.293 4.961 ( -2.151 -6.356 3.059) 7.375 5.672 ( -0.701 9.599 -3.781) 10.340 5.700 ( -1.210 15.228 -4.798) 16.012 5.933 ( -0.828 -0.886 -1.877) 2.235 5.984 ( -1.116 0.715 -3.902) 4.121 6.220 ( 7.847 7.778 1.239) 11.118 6.412 ( 6.387 -0.535 -1.046) 6.494 6.539 ( -2.253 7.844 -2.322) 8.484 6.600 ( -0.906 10.054 1.741) 10.244 6.689 ( 0.070 9.192 -5.659) 10.794 6.854 ( -5.048 5.502 0.239) 7.470 6.925 ( 1.620 -1.753 2.372) 3.365 7.028 ( -2.682 -8.659 -1.143) 9.137 7.333 ( -0.913 -7.901 -0.708) 7.985 7.405 ( -2.720 -0.998 1.350) 3.196 7.537 ( 4.868 -14.152 -4.539) 15.639 7.686 ( -1.477 -11.826 -4.144) 12.618 8.023 ( -0.697 4.706 2.615) 5.428 8.131 ( -4.052 1.991 3.157) 5.509 8.247 ( 4.051 -5.971 1.546) 7.380 8.333 ( 3.981 -1.831 0.236) 4.388 8.396 ( 4.002 -2.547 2.386) 5.310 8.682 ( -3.976 0.919 -0.251) 4.088 8.707 ( -0.415 -8.440 1.300) 8.550 8.808 ( -2.659 -2.061 0.406) 3.389 9.785 ( 2.767 16.082 -2.062) 16.448 9.960 ( -3.570 11.191 -6.517) 13.433 10.442 ( 3.611 -13.212 -5.535) 14.772 10.511 ( 0.520 -17.939 -4.285) 18.451 11.122 ( 0.554 3.408 -4.766) 5.885 11.145 ( 0.749 4.226 -2.263) 4.852 11.219 ( 0.191 2.226 -3.269) 3.960 11.359 ( -4.427 -0.625 2.231) 4.997 11.915 ( 2.236 1.694 -2.079) 3.491 11.977 ( 2.658 3.872 -2.812) 5.474 12.113 ( 3.734 -0.620 6.027) 7.117 12.369 ( 0.022 0.438 -2.055) 2.101 12.409 ( 2.899 -5.789 2.987) 7.130 12.514 ( 6.879 -3.919 -4.631) 9.172 12.920 ( -12.090 5.212 3.473) 13.615 13.048 ( -12.240 0.204 -3.515) 12.737 14.254 ( 5.333 15.321 3.281) 16.551 14.512 ( -5.376 12.562 11.077) 17.590 14.886 ( 8.488 -15.821 2.243) 18.094 15.173 ( -3.495 -18.660 2.742) 19.181 19.234 ( -0.344 13.271 -0.140) 13.276 19.269 ( -1.257 16.890 -0.961) 16.964 19.457 ( 6.216 6.833 -1.709) 9.394 19.854 ( -8.344 -9.527 -3.931) 13.261 20.495 ( 1.649 4.079 -2.009) 4.836 20.723 ( -2.173 6.184 -10.163) 12.094 20.928 ( -6.166 -2.183 0.006) 6.541 21.243 ( -7.585 -8.274 -6.808) 13.128 22.212 ( 8.755 2.905 -2.843) 9.653 22.348 ( 10.935 -3.532 -6.318) 13.113 22.580 ( -5.883 1.202 0.012) 6.004 22.682 ( -4.382 -3.709 0.301) 5.749 23.164 ( 7.307 1.445 8.776) 11.511 23.284 ( 12.819 -4.922 9.689) 16.806 23.507 ( -2.596 4.051 5.880) 7.598 23.873 ( -6.951 -13.451 2.148) 15.292 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -12.123 17.081 6.701) 21.992 2.019 ( 12.123 17.081 6.701) 21.992 2.094 ( -14.498 15.913 5.842) 22.306 2.094 ( 14.498 15.913 5.842) 22.306 2.661 ( -7.487 -13.144 1.043) 15.163 2.661 ( 7.487 -13.144 1.043) 15.163 2.720 ( -4.391 -13.913 2.960) 14.887 2.720 ( 4.391 -13.913 2.960) 14.887 3.375 ( -3.927 16.009 -3.835) 16.924 3.375 ( 3.927 16.009 -3.835) 16.924 3.675 ( -2.521 3.301 -1.148) 4.310 3.675 ( 2.521 3.301 -1.148) 4.310 3.866 ( -4.755 9.452 2.118) 10.791 3.866 ( 4.755 9.452 2.118) 10.791 4.157 ( -6.788 7.061 -3.423) 10.376 4.157 ( 6.788 7.061 -3.423) 10.376 4.374 ( -2.150 -7.187 -0.983) 7.566 4.374 ( 2.150 -7.187 -0.983) 7.566 4.526 ( -4.015 -5.850 -1.231) 7.201 4.526 ( 4.015 -5.850 -1.231) 7.201 4.688 ( -5.795 -0.351 -0.592) 5.836 4.688 ( 5.795 -0.351 -0.592) 5.836 4.925 ( -0.601 -6.849 3.931) 7.920 4.925 ( 0.601 -6.849 3.931) 7.920 5.673 ( -0.827 11.541 -4.029) 12.251 5.673 ( 0.827 11.541 -4.029) 12.251 5.950 ( -1.726 -1.624 -2.893) 3.740 5.950 ( 1.726 -1.624 -2.893) 3.740 6.388 ( -6.888 9.610 -0.847) 11.854 6.388 ( 6.888 9.610 -0.847) 11.854 6.577 ( -2.949 0.835 -2.392) 3.888 6.577 ( 2.949 0.835 -2.392) 3.888 6.728 ( -4.697 11.428 -0.235) 12.358 6.728 ( 4.697 11.428 -0.235) 12.358 6.972 ( -2.375 -5.839 0.220) 6.308 6.972 ( 2.375 -5.839 0.220) 6.308 7.345 ( -2.033 -4.088 0.523) 4.595 7.345 ( 2.033 -4.088 0.523) 4.595 7.631 ( -3.503 -14.494 -4.435) 15.557 7.631 ( 3.503 -14.494 -4.435) 15.557 8.049 ( -2.861 4.295 2.466) 5.720 8.049 ( 2.861 4.295 2.466) 5.720 8.337 ( -3.275 -8.690 1.468) 9.401 8.337 ( 3.275 -8.690 1.468) 9.401 8.531 ( -7.390 4.438 0.799) 8.657 8.531 ( 7.390 4.438 0.799) 8.657 8.748 ( -2.483 -5.967 0.779) 6.510 8.748 ( 2.483 -5.967 0.779) 6.510 9.867 ( -4.376 14.305 -3.918) 15.464 9.867 ( 4.376 14.305 -3.918) 15.464 10.504 ( -1.529 -16.990 -5.060) 17.793 10.504 ( 1.529 -16.990 -5.060) 17.793 11.141 ( -0.971 4.704 -3.973) 6.233 11.141 ( 0.971 4.704 -3.973) 6.233 11.262 ( -3.691 -0.396 -1.754) 4.106 11.262 ( 3.691 -0.396 -1.754) 4.106 11.974 ( -2.320 5.241 -1.423) 5.906 11.974 ( 2.320 5.241 -1.423) 5.906 12.247 ( -7.208 -6.416 4.339) 10.581 12.247 ( 7.208 -6.416 4.339) 10.581 12.621 ( -12.967 4.215 0.077) 13.635 12.621 ( 12.967 4.215 0.077) 13.635 12.752 ( -13.248 -1.712 -2.325) 13.559 12.752 ( 13.248 -1.712 -2.325) 13.559 14.386 ( -6.084 15.294 7.240) 17.981 14.386 ( 6.084 15.294 7.240) 17.981 15.059 ( -6.694 -18.396 2.294) 19.711 15.059 ( 6.694 -18.396 2.294) 19.711 19.242 ( -0.987 15.150 -0.518) 15.191 19.242 ( 0.987 15.150 -0.518) 15.191 19.638 ( -9.815 0.628 -3.156) 10.329 19.638 ( 9.815 0.628 -3.156) 10.329 20.576 ( -6.056 9.533 -2.083) 11.485 20.576 ( 6.056 9.533 -2.083) 11.485 21.032 ( -9.577 -10.228 -3.816) 14.523 21.032 ( 9.577 -10.228 -3.816) 14.523 22.406 ( -8.028 3.031 -1.765) 8.760 22.406 ( 8.028 3.031 -1.765) 8.760 22.561 ( -6.614 -4.223 -5.554) 9.614 22.561 ( 6.614 -4.223 -5.554) 9.614 23.337 ( -6.910 4.353 5.995) 10.131 23.337 ( 6.910 4.353 5.995) 10.131 23.649 ( -12.798 -12.733 6.770) 19.281 23.649 ( 12.798 -12.733 6.770) 19.281 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 -2.963 0.524) 3.009 2.078 ( 0.000 2.963 0.524) 3.009 2.202 ( 0.000 -0.707 5.240) 5.287 2.202 ( 0.000 0.707 5.240) 5.287 2.580 ( 0.000 -9.127 5.272) 10.541 2.580 ( 0.000 9.127 5.272) 10.541 2.958 ( 0.000 -3.824 2.146) 4.385 2.958 ( 0.000 3.824 2.146) 4.385 3.303 ( 0.000 -7.144 4.280) 8.328 3.303 ( 0.000 7.144 4.280) 8.328 3.547 ( 0.000 -16.561 0.412) 16.566 3.547 ( 0.000 16.561 0.412) 16.566 4.007 ( 0.000 -9.848 3.274) 10.378 4.007 ( 0.000 9.848 3.274) 10.378 4.132 ( 0.000 -2.728 -7.711) 8.179 4.132 ( 0.000 2.728 -7.711) 8.179 4.284 ( 0.000 -2.832 -0.722) 2.923 4.284 ( 0.000 2.832 -0.722) 2.923 4.487 ( 0.000 -8.518 -8.852) 12.284 4.487 ( 0.000 8.518 -8.852) 12.284 4.820 ( 0.000 -3.962 4.994) 6.375 4.820 ( 0.000 3.962 4.994) 6.375 4.866 ( 0.000 -0.993 0.828) 1.293 4.866 ( 0.000 0.993 0.828) 1.293 5.854 ( 0.000 -5.536 -4.470) 7.115 5.854 ( 0.000 5.536 -4.470) 7.115 5.986 ( 0.000 -3.392 -3.682) 5.007 5.986 ( 0.000 3.392 -3.682) 5.007 6.237 ( 0.000 -6.355 1.495) 6.529 6.237 ( 0.000 6.355 1.495) 6.529 6.722 ( 0.000 -3.739 -7.490) 8.372 6.722 ( 0.000 3.739 -7.490) 8.372 6.853 ( 0.000 -10.837 -0.164) 10.839 6.853 ( 0.000 10.837 -0.164) 10.839 6.950 ( 0.000 -3.905 3.255) 5.084 6.950 ( 0.000 3.905 3.255) 5.084 7.254 ( 0.000 -5.171 -1.595) 5.411 7.254 ( 0.000 5.171 -1.595) 5.411 7.514 ( 0.000 -7.939 -0.544) 7.957 7.514 ( 0.000 7.939 -0.544) 7.957 8.143 ( 0.000 -1.018 0.884) 1.348 8.143 ( 0.000 1.018 0.884) 1.348 8.210 ( 0.000 -5.076 1.253) 5.229 8.210 ( 0.000 5.076 1.253) 5.229 8.431 ( 0.000 -11.710 3.330) 12.175 8.431 ( 0.000 11.710 3.330) 12.175 8.811 ( 0.000 -2.216 0.026) 2.216 8.811 ( 0.000 2.216 0.026) 2.216 10.098 ( 0.000 -15.108 -4.490) 15.761 10.098 ( 0.000 15.108 -4.490) 15.761 10.212 ( 0.000 -5.303 -4.478) 6.941 10.212 ( 0.000 5.303 -4.478) 6.941 11.150 ( 0.000 -0.806 -4.802) 4.869 11.150 ( 0.000 0.806 -4.802) 4.869 11.346 ( 0.000 -6.016 0.390) 6.029 11.346 ( 0.000 6.016 0.390) 6.029 11.904 ( 0.000 -1.431 1.043) 1.771 11.904 ( 0.000 1.431 1.043) 1.771 12.230 ( 0.000 -9.480 1.578) 9.611 12.230 ( 0.000 9.480 1.578) 9.611 12.373 ( 0.000 -0.990 -3.542) 3.677 12.373 ( 0.000 0.990 -3.542) 3.677 13.164 ( 0.000 -4.148 1.768) 4.509 13.164 ( 0.000 4.148 1.768) 4.509 14.480 ( 0.000 -14.507 0.267) 14.509 14.480 ( 0.000 14.507 0.267) 14.509 14.864 ( 0.000 -16.315 7.046) 17.771 14.864 ( 0.000 16.315 7.046) 17.771 19.420 ( 0.000 -4.461 -0.466) 4.486 19.420 ( 0.000 4.461 -0.466) 4.486 19.637 ( 0.000 -17.327 -1.801) 17.421 19.637 ( 0.000 17.327 -1.801) 17.421 20.573 ( 0.000 -7.079 -4.268) 8.266 20.573 ( 0.000 7.079 -4.268) 8.266 21.230 ( 0.000 -0.213 -9.728) 9.730 21.230 ( 0.000 0.213 -9.728) 9.730 22.135 ( 0.000 -2.203 -1.266) 2.541 22.135 ( 0.000 2.203 -1.266) 2.541 22.680 ( 0.000 -2.052 3.033) 3.662 22.680 ( 0.000 2.052 3.033) 3.662 23.079 ( 0.000 -0.492 9.558) 9.570 23.079 ( 0.000 0.492 9.558) 9.570 23.716 ( 0.000 -10.433 1.898) 10.604 23.716 ( 0.000 10.433 1.898) 10.604 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 6.517 -11.648 1.407) 13.421 2.150 ( 6.517 11.648 1.407) 13.421 2.256 ( 4.853 -11.219 4.980) 13.200 2.256 ( 4.853 11.220 4.980) 13.200 2.526 ( -4.931 -12.613 5.314) 14.548 2.526 ( -4.931 12.613 5.314) 14.548 2.721 ( -15.235 -9.531 3.295) 18.270 2.721 ( -15.235 9.531 3.295) 18.270 3.458 ( 8.724 -8.268 0.623) 12.036 3.458 ( 8.724 8.268 0.623) 12.036 3.619 ( 3.949 -9.365 -1.934) 10.346 3.619 ( 3.949 9.365 -1.934) 10.346 4.020 ( 2.484 -12.638 3.257) 13.285 4.020 ( 2.484 12.638 3.257) 13.285 4.148 ( 0.564 -6.595 -5.426) 8.559 4.148 ( 0.564 6.595 -5.426) 8.559 4.276 ( 0.627 -7.021 -1.874) 7.294 4.276 ( 0.627 7.021 -1.874) 7.294 4.495 ( -1.156 -5.710 -6.863) 9.003 4.495 ( -1.156 5.710 -6.863) 9.003 4.775 ( -2.825 -9.963 5.694) 11.818 4.775 ( -2.825 9.963 5.694) 11.818 4.837 ( -2.438 -5.519 1.889) 6.323 4.837 ( -2.438 5.519 1.889) 6.323 5.833 ( -0.481 -6.351 -3.147) 7.105 5.833 ( -0.481 6.351 -3.147) 7.105 5.940 ( -3.385 -6.059 -3.725) 7.877 5.940 ( -3.385 6.059 -3.725) 7.877 6.353 ( 8.390 -5.443 -0.767) 10.030 6.353 ( 8.390 5.443 -0.767) 10.030 6.665 ( -4.301 -3.757 -5.734) 8.093 6.665 ( -4.301 3.757 -5.734) 8.093 6.878 ( 1.200 -7.112 -0.297) 7.219 6.878 ( 1.200 7.112 -0.297) 7.219 6.928 ( -1.600 -1.863 2.457) 3.474 6.928 ( -1.600 1.863 2.457) 3.474 7.285 ( 2.816 -7.337 -2.109) 8.137 7.285 ( 2.816 7.337 -2.109) 8.137 7.470 ( -3.679 -8.288 -0.996) 9.122 7.470 ( -3.679 8.288 -0.996) 9.122 8.128 ( 0.331 -5.849 1.499) 6.048 8.128 ( 0.331 5.849 1.499) 6.048 8.215 ( -0.839 -6.131 2.263) 6.589 8.215 ( -0.839 6.131 2.263) 6.589 8.501 ( 5.504 -9.057 1.734) 10.739 8.501 ( 5.504 9.057 1.734) 10.739 8.757 ( -4.530 -3.247 0.259) 5.579 8.757 ( -4.530 3.247 0.259) 5.579 10.121 ( 1.949 -15.068 -4.424) 15.824 10.121 ( 1.949 15.068 -4.424) 15.824 10.205 ( -0.799 -9.208 -4.377) 10.227 10.205 ( -0.799 9.208 -4.377) 10.227 11.168 ( 1.640 -1.220 -4.719) 5.143 11.168 ( 1.640 1.220 -4.719) 5.143 11.301 ( -3.434 -4.660 -1.456) 5.969 11.301 ( -3.434 4.660 -1.456) 5.969 11.970 ( 5.323 -3.307 1.896) 6.547 11.970 ( 5.323 3.307 1.896) 6.547 12.211 ( -2.897 -9.125 2.523) 9.901 12.211 ( -2.897 9.125 2.523) 9.901 12.447 ( 7.713 -3.303 -3.129) 8.955 12.447 ( 7.713 3.303 -3.129) 8.955 13.010 ( -12.397 -3.639 1.150) 12.971 13.010 ( -12.397 3.639 1.150) 12.971 14.561 ( 6.256 -15.250 1.502) 16.552 14.561 ( 6.256 15.250 1.502) 16.552 14.822 ( -3.692 -16.331 6.164) 17.842 14.822 ( -3.692 16.331 6.164) 17.842 19.445 ( 2.195 -6.926 -0.711) 7.300 19.445 ( 2.195 6.926 -0.711) 7.300 19.596 ( -3.318 -15.539 -1.716) 15.982 19.596 ( -3.318 15.539 -1.716) 15.982 20.633 ( 5.360 -8.954 -3.757) 11.091 20.633 ( 5.360 8.954 -3.757) 11.091 21.062 ( -11.971 -10.015 -5.995) 16.720 21.062 ( -11.971 10.015 -5.995) 16.720 22.276 ( 9.735 -3.582 -4.125) 11.163 22.276 ( 9.735 3.582 -4.125) 11.163 22.618 ( -4.922 -2.655 0.512) 5.615 22.618 ( -4.922 2.655 0.512) 5.615 23.205 ( 10.022 -2.899 9.369) 14.022 23.205 ( 10.022 2.899 9.369) 14.022 23.646 ( -6.206 -9.537 3.238) 11.830 23.646 ( -6.206 9.537 3.238) 11.830 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -8.073 -12.568 3.722) 15.394 2.346 ( 7.884 -12.538 3.722) 15.271 2.346 ( -7.884 12.538 3.722) 15.271 2.346 ( 8.073 12.568 3.722) 15.394 2.427 ( -7.153 -12.152 4.123) 14.691 2.427 ( 5.678 -11.956 4.123) 13.863 2.427 ( -5.678 11.956 4.123) 13.863 2.427 ( 7.153 12.152 4.123) 14.691 3.612 ( -3.819 -8.071 -2.985) 9.414 3.612 ( 2.664 -7.954 -2.985) 8.903 3.612 ( -2.664 7.954 -2.985) 8.903 3.612 ( 3.819 8.071 -2.985) 9.414 4.114 ( -3.755 -12.775 -0.776) 13.338 4.114 ( 3.659 -12.768 -0.776) 13.305 4.114 ( -3.659 12.768 -0.776) 13.305 4.114 ( 3.755 12.775 -0.776) 13.338 4.374 ( -7.791 -8.483 -2.113) 11.710 4.374 ( 7.593 -8.438 -2.113) 11.547 4.374 ( -7.593 8.438 -2.113) 11.547 4.374 ( 7.791 8.483 -2.113) 11.710 4.774 ( -2.514 -7.506 3.582) 8.688 4.774 ( 2.498 -7.505 3.582) 8.683 4.774 ( -2.498 7.505 3.582) 8.683 4.774 ( 2.514 7.506 3.582) 8.688 5.863 ( -2.892 -7.306 -3.213) 8.489 5.863 ( 2.779 -7.295 -3.213) 8.442 5.863 ( -2.779 7.295 -3.213) 8.442 5.863 ( 2.892 7.306 -3.213) 8.489 6.537 ( -7.183 -5.180 -3.381) 9.479 6.537 ( 3.345 -4.090 -3.381) 6.273 6.537 ( -3.345 4.090 -3.381) 6.273 6.537 ( 7.183 5.180 -3.381) 9.479 6.898 ( -0.753 -4.246 0.753) 4.378 6.898 ( 0.644 -4.242 0.753) 4.356 6.898 ( -0.644 4.242 0.753) 4.356 6.898 ( 0.753 4.246 0.753) 4.378 7.372 ( -4.646 -9.122 -1.867) 10.406 7.372 ( 4.544 -9.109 -1.867) 10.349 7.372 ( -4.544 9.109 -1.867) 10.349 7.372 ( 4.646 9.122 -1.867) 10.406 8.169 ( -2.749 -7.710 2.254) 8.490 8.169 ( 2.739 -7.709 2.254) 8.486 8.169 ( -2.739 7.709 2.254) 8.486 8.169 ( 2.749 7.710 2.254) 8.490 8.635 ( -6.094 -5.603 0.709) 8.309 8.635 ( 6.094 -5.603 0.709) 8.308 8.635 ( -6.094 5.603 0.709) 8.308 8.635 ( 6.094 5.603 0.709) 8.309 10.171 ( -1.848 -16.471 -4.313) 17.126 10.171 ( 1.751 -16.468 -4.313) 17.113 10.171 ( -1.751 16.468 -4.313) 17.113 10.171 ( 1.848 16.471 -4.313) 17.126 11.223 ( -2.897 -3.291 -3.831) 5.822 11.223 ( 1.301 -3.025 -3.831) 5.052 11.223 ( -1.301 3.025 -3.831) 5.052 11.223 ( 2.897 3.291 -3.831) 5.822 12.104 ( -5.526 -7.407 2.490) 9.571 12.104 ( 3.526 -7.094 2.490) 8.305 12.104 ( -3.526 7.094 2.490) 8.305 12.104 ( 5.526 7.407 2.490) 9.571 12.699 ( -14.068 -3.509 -0.579) 14.511 12.699 ( -14.054 3.495 -0.579) 14.493 12.699 ( 14.054 -3.495 -0.579) 14.493 12.699 ( 14.068 3.509 -0.579) 14.511 14.708 ( -6.039 -17.264 3.970) 18.716 14.708 ( 5.711 -17.236 3.970) 18.586 14.708 ( -5.711 17.236 3.970) 18.586 14.708 ( 6.039 17.264 3.970) 18.716 19.513 ( -3.735 -11.488 -1.276) 12.147 19.513 ( 3.714 -11.486 -1.276) 12.139 19.513 ( -3.714 11.486 -1.276) 12.139 19.513 ( 3.735 11.488 -1.276) 12.147 20.806 ( -9.763 -12.332 -3.539) 16.122 20.806 ( 8.190 -12.043 -3.539) 14.988 20.806 ( -8.190 12.043 -3.539) 14.988 20.806 ( 9.763 12.332 -3.539) 16.122 22.477 ( -7.727 -4.044 -3.391) 9.358 22.477 ( -0.497 -1.221 -3.391) 3.638 22.477 ( 0.497 1.221 -3.391) 3.638 22.477 ( 7.727 4.044 -3.391) 9.358 23.452 ( -10.511 -7.487 6.543) 14.469 23.452 ( 3.956 -5.687 6.543) 9.529 23.452 ( -3.956 5.687 6.543) 9.529 23.452 ( 10.511 7.487 6.543) 14.469 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 0.000 25.924) 25.924 1.103 ( 0.000 0.000 27.467) 27.467 1.887 ( 0.000 0.000 40.047) 40.047 1.940 ( 0.000 0.000 6.635) 6.635 2.260 ( 0.000 0.000 12.303) 12.303 2.364 ( 0.000 0.000 -3.755) 3.755 2.879 ( 0.000 0.000 -6.448) 6.448 2.936 ( 0.000 0.000 -6.218) 6.218 3.112 ( 0.000 0.000 -3.135) 3.135 3.136 ( 0.000 0.000 -2.085) 2.085 3.385 ( 0.000 0.000 -9.299) 9.299 3.430 ( 0.000 0.000 -8.341) 8.341 3.609 ( 0.000 0.000 -3.219) 3.219 3.664 ( 0.000 0.000 -0.276) 0.276 3.947 ( 0.000 0.000 -0.515) 0.515 4.283 ( 0.000 0.000 -3.786) 3.786 4.571 ( 0.000 0.000 10.898) 10.898 4.603 ( 0.000 0.000 -0.318) 0.318 4.614 ( 0.000 0.000 -6.255) 6.255 4.723 ( 0.000 0.000 -3.525) 3.525 4.839 ( 0.000 0.000 5.159) 5.159 4.840 ( 0.000 0.000 -5.804) 5.804 4.935 ( 0.000 0.000 1.748) 1.748 4.986 ( 0.000 0.000 -9.182) 9.182 5.103 ( 0.000 0.000 -2.644) 2.644 5.384 ( 0.000 0.000 -3.220) 3.220 5.755 ( 0.000 0.000 0.861) 0.861 5.896 ( 0.000 0.000 8.891) 8.891 5.925 ( 0.000 0.000 4.605) 4.605 6.163 ( 0.000 0.000 7.837) 7.837 6.251 ( 0.000 0.000 1.372) 1.372 6.270 ( 0.000 0.000 -1.931) 1.931 6.396 ( 0.000 0.000 -9.837) 9.837 6.893 ( 0.000 0.000 -2.632) 2.632 7.121 ( 0.000 0.000 -5.279) 5.279 7.245 ( 0.000 0.000 -8.737) 8.737 7.288 ( 0.000 0.000 -9.406) 9.406 7.444 ( 0.000 0.000 -6.291) 6.291 7.714 ( 0.000 0.000 10.722) 10.722 8.038 ( 0.000 0.000 4.411) 4.411 8.220 ( 0.000 0.000 -1.418) 1.418 8.398 ( 0.000 0.000 5.584) 5.584 8.451 ( 0.000 0.000 -4.221) 4.221 8.505 ( 0.000 0.000 -4.688) 4.688 8.728 ( 0.000 0.000 4.219) 4.219 8.833 ( 0.000 0.000 -0.563) 0.563 8.850 ( 0.000 0.000 -1.038) 1.038 9.068 ( 0.000 0.000 -8.884) 8.884 9.120 ( 0.000 0.000 -3.837) 3.837 9.135 ( 0.000 0.000 4.504) 4.504 10.552 ( 0.000 0.000 -5.354) 5.354 10.791 ( 0.000 0.000 -8.139) 8.139 10.851 ( 0.000 0.000 -0.084) 0.084 10.860 ( 0.000 0.000 -2.119) 2.119 11.319 ( 0.000 0.000 6.837) 6.837 11.543 ( 0.000 0.000 6.565) 6.565 11.719 ( 0.000 0.000 -8.281) 8.281 11.833 ( 0.000 0.000 -15.230) 15.230 11.961 ( 0.000 0.000 -2.661) 2.661 12.100 ( 0.000 0.000 3.815) 3.815 12.223 ( 0.000 0.000 -2.183) 2.183 12.628 ( 0.000 0.000 -2.229) 2.229 12.704 ( 0.000 0.000 12.721) 12.721 13.180 ( 0.000 0.000 5.625) 5.625 13.947 ( 0.000 0.000 12.403) 12.403 15.145 ( 0.000 0.000 -3.228) 3.228 15.704 ( 0.000 0.000 -0.550) 0.550 15.984 ( 0.000 0.000 -3.672) 3.672 18.615 ( 0.000 0.000 0.323) 0.323 18.644 ( 0.000 0.000 0.272) 0.272 18.673 ( 0.000 0.000 -0.342) 0.342 18.691 ( 0.000 0.000 -0.201) 0.201 20.463 ( 0.000 0.000 0.916) 0.916 20.572 ( 0.000 0.000 0.248) 0.248 21.122 ( 0.000 0.000 -3.754) 3.754 21.318 ( 0.000 0.000 -2.545) 2.545 22.048 ( 0.000 0.000 0.695) 0.695 22.196 ( 0.000 0.000 -1.615) 1.615 22.623 ( 0.000 0.000 -1.679) 1.679 22.849 ( 0.000 0.000 -5.003) 5.003 23.313 ( 0.000 0.000 10.309) 10.309 23.515 ( 0.000 0.000 8.995) 8.995 23.823 ( 0.000 0.000 1.379) 1.379 24.694 ( 0.000 0.000 -10.758) 10.758 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 13.144 0.000 20.946) 24.728 1.353 ( 17.624 0.000 22.589) 28.651 1.813 ( -10.486 0.000 8.464) 13.476 2.008 ( -2.295 0.000 18.227) 18.371 2.263 ( 13.188 0.000 26.331) 29.449 2.429 ( 5.085 0.000 -4.234) 6.617 2.728 ( -7.793 0.000 -5.780) 9.703 3.067 ( -1.943 0.000 -8.948) 9.156 3.077 ( 7.061 0.000 -7.183) 10.072 3.207 ( -4.053 0.000 -4.597) 6.129 3.287 ( 0.043 0.000 3.232) 3.232 3.338 ( -4.025 0.000 -9.113) 9.962 3.655 ( 0.166 0.000 1.167) 1.179 3.791 ( 5.829 0.000 -4.856) 7.587 4.000 ( 4.686 0.000 0.706) 4.739 4.267 ( -3.087 0.000 -0.493) 3.126 4.412 ( -12.992 0.000 16.662) 21.129 4.517 ( -1.258 0.000 -6.132) 6.259 4.614 ( -8.040 0.000 -1.581) 8.194 4.641 ( -1.808 0.000 -8.380) 8.572 4.767 ( 2.662 0.000 -5.079) 5.734 4.889 ( 3.785 0.000 -3.367) 5.066 4.980 ( -2.148 0.000 -0.538) 2.214 4.989 ( -0.120 0.000 -7.550) 7.551 5.105 ( 2.056 0.000 -1.935) 2.824 5.314 ( -5.224 0.000 -1.058) 5.330 5.773 ( 1.786 0.000 1.596) 2.395 5.886 ( -1.310 0.000 6.966) 7.088 6.021 ( 5.501 0.000 0.773) 5.555 6.153 ( -0.536 0.000 7.431) 7.450 6.198 ( -4.146 0.000 -1.216) 4.321 6.210 ( -2.863 0.000 3.050) 4.183 6.556 ( 11.769 0.000 -6.361) 13.379 6.904 ( -0.278 0.000 -3.887) 3.897 7.147 ( 1.983 0.000 -6.046) 6.363 7.229 ( -1.284 0.000 -8.243) 8.343 7.287 ( -0.036 0.000 -7.155) 7.155 7.370 ( -4.905 0.000 -2.276) 5.408 7.804 ( 7.662 0.000 10.080) 12.662 8.111 ( 2.932 0.000 -0.524) 2.978 8.191 ( -1.765 0.000 -0.759) 1.921 8.260 ( -10.005 0.000 6.797) 12.096 8.320 ( -1.438 0.000 -2.432) 2.826 8.507 ( -2.990 0.000 -1.948) 3.569 8.830 ( 6.751 0.000 2.807) 7.311 8.860 ( 5.414 0.000 1.264) 5.560 9.044 ( 4.876 0.000 -9.106) 10.329 9.057 ( -1.926 0.000 -6.517) 6.795 9.100 ( -0.541 0.000 -0.711) 0.893 9.131 ( -0.646 0.000 -0.225) 0.684 10.578 ( 2.306 0.000 -5.530) 5.992 10.742 ( -3.829 0.000 -7.262) 8.209 10.879 ( 2.777 0.000 -0.286) 2.792 10.959 ( 4.037 0.000 -4.072) 5.734 11.377 ( 7.250 0.000 -0.438) 7.263 11.613 ( 5.843 0.000 5.471) 8.004 11.735 ( -1.707 0.000 -8.054) 8.233 11.825 ( 1.659 0.000 -13.444) 13.546 11.958 ( -0.803 0.000 -5.106) 5.169 11.959 ( -8.381 0.000 2.834) 8.847 12.350 ( 7.126 0.000 -1.064) 7.205 12.592 ( -3.134 0.000 -2.026) 3.732 12.735 ( 3.566 0.000 11.794) 12.321 13.086 ( -7.877 0.000 5.673) 9.707 14.030 ( 7.410 0.000 14.042) 15.877 14.735 ( -24.902 0.000 12.390) 27.814 15.838 ( 6.021 0.000 -5.637) 8.248 15.974 ( -1.052 0.000 -4.034) 4.169 18.619 ( 0.330 0.000 0.294) 0.442 18.639 ( -0.403 0.000 0.236) 0.467 18.677 ( 0.276 0.000 -0.279) 0.392 18.689 ( -0.194 0.000 -0.200) 0.279 20.470 ( 1.978 0.000 1.074) 2.250 20.613 ( -0.318 0.000 2.111) 2.135 21.094 ( 2.818 0.000 -4.671) 5.455 21.373 ( -1.506 0.000 -6.670) 6.838 22.100 ( 6.606 0.000 -0.337) 6.615 22.327 ( 9.305 0.000 -5.611) 10.866 22.527 ( -8.128 0.000 -1.374) 8.243 22.743 ( -8.303 0.000 -5.134) 9.762 23.304 ( 1.589 0.000 9.896) 10.023 23.442 ( -3.002 0.000 8.668) 9.173 24.107 ( 16.704 0.000 -2.418) 16.878 24.625 ( -6.172 0.000 -7.995) 10.100 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -15.340 0.000 13.483) 20.423 1.518 ( 15.340 0.000 13.483) 20.423 1.738 ( -16.356 0.000 17.733) 24.124 1.738 ( 16.356 0.000 17.733) 24.124 2.564 ( -6.914 0.000 -5.096) 8.589 2.564 ( 6.914 0.000 -5.096) 8.589 2.773 ( -22.944 0.000 7.502) 24.139 2.773 ( 22.944 0.000 7.502) 24.139 3.223 ( -6.074 0.000 -8.311) 10.294 3.223 ( 6.074 0.000 -8.311) 10.294 3.252 ( -5.869 0.000 -0.977) 5.950 3.252 ( 5.869 0.000 -0.977) 5.950 3.713 ( -6.565 0.000 3.652) 7.512 3.713 ( 6.565 0.000 3.652) 7.512 4.138 ( -7.147 0.000 2.009) 7.424 4.138 ( 7.147 0.000 2.009) 7.424 4.401 ( -9.381 0.000 2.516) 9.713 4.401 ( 9.381 0.000 2.516) 9.713 4.566 ( -4.041 0.000 -9.886) 10.680 4.566 ( 4.041 0.000 -9.886) 10.680 4.876 ( -5.844 0.000 -4.324) 7.270 4.876 ( 5.844 0.000 -4.324) 7.270 4.964 ( -2.400 0.000 -4.424) 5.033 4.964 ( 2.400 0.000 -4.424) 5.033 5.192 ( -5.211 0.000 -0.682) 5.256 5.192 ( 5.211 0.000 -0.682) 5.256 5.832 ( -3.153 0.000 3.500) 4.711 5.832 ( 3.153 0.000 3.500) 4.711 6.116 ( -3.509 0.000 -0.816) 3.603 6.116 ( 3.509 0.000 -0.816) 3.603 6.159 ( -1.349 0.000 6.014) 6.163 6.159 ( 1.349 0.000 6.014) 6.163 6.809 ( -8.982 0.000 -4.873) 10.219 6.809 ( 8.982 0.000 -4.873) 10.219 7.193 ( -1.953 0.000 -7.247) 7.505 7.193 ( 1.953 0.000 -7.247) 7.505 7.295 ( -1.357 0.000 -3.081) 3.366 7.295 ( 1.357 0.000 -3.081) 3.366 8.019 ( -11.053 0.000 8.551) 13.974 8.019 ( 11.053 0.000 8.551) 13.974 8.145 ( -1.999 0.000 -1.839) 2.716 8.145 ( 1.999 0.000 -1.839) 2.716 8.404 ( -5.751 0.000 -1.491) 5.941 8.404 ( 5.751 0.000 -1.491) 5.941 8.970 ( -5.479 0.000 0.037) 5.479 8.970 ( 5.479 0.000 0.037) 5.479 9.004 ( -6.191 0.000 -3.602) 7.163 9.004 ( 6.191 0.000 -3.602) 7.163 9.111 ( -0.985 0.000 -2.513) 2.699 9.111 ( 0.985 0.000 -2.513) 2.699 10.650 ( -4.045 0.000 -6.124) 7.339 10.650 ( 4.045 0.000 -6.124) 7.339 10.952 ( -3.096 0.000 -0.775) 3.192 10.952 ( 3.096 0.000 -0.775) 3.192 11.597 ( -9.626 0.000 -9.445) 13.486 11.597 ( 9.626 0.000 -9.445) 13.486 11.773 ( -8.189 0.000 3.829) 9.040 11.773 ( 8.189 0.000 3.829) 9.040 11.906 ( -3.823 0.000 -8.620) 9.430 11.906 ( 3.823 0.000 -8.620) 9.430 12.494 ( -5.676 0.000 -1.522) 5.876 12.494 ( 5.676 0.000 -1.522) 5.876 12.882 ( -9.190 0.000 8.019) 12.197 12.882 ( 9.190 0.000 8.019) 12.197 14.279 ( -15.623 0.000 16.695) 22.865 14.279 ( 15.623 0.000 16.695) 22.865 15.931 ( -2.897 0.000 -5.085) 5.852 15.931 ( 2.897 0.000 -5.085) 5.852 18.628 ( -0.498 0.000 0.241) 0.553 18.628 ( 0.498 0.000 0.241) 0.553 18.683 ( -0.314 0.000 -0.216) 0.382 18.683 ( 0.314 0.000 -0.216) 0.382 20.546 ( -4.241 0.000 2.259) 4.805 20.546 ( 4.241 0.000 2.259) 4.805 21.241 ( -8.290 0.000 -5.983) 10.223 21.241 ( 8.290 0.000 -5.983) 10.223 22.304 ( -10.581 0.000 -2.180) 10.803 22.304 ( 10.581 0.000 -2.180) 10.803 22.545 ( -9.432 0.000 -6.200) 11.288 22.545 ( 9.432 0.000 -6.200) 11.288 23.373 ( -3.524 0.000 8.466) 9.170 23.373 ( 3.524 0.000 8.466) 9.170 24.426 ( -11.811 0.000 -4.676) 12.703 24.426 ( 11.811 0.000 -4.676) 12.703 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 14.199 22.981) 27.014 1.218 ( 0.000 11.203 23.358) 25.906 2.016 ( 0.000 12.993 27.948) 30.820 2.156 ( 0.000 17.516 6.752) 18.772 2.307 ( 0.000 7.588 15.813) 17.539 2.453 ( 0.000 8.143 -1.072) 8.213 2.937 ( 0.000 4.305 -1.866) 4.692 3.014 ( 0.000 0.315 -2.652) 2.671 3.088 ( 0.000 4.629 -5.699) 7.342 3.111 ( 0.000 -2.441 -3.184) 4.012 3.427 ( 0.000 1.758 -10.049) 10.201 3.467 ( 0.000 5.130 -6.090) 7.963 3.569 ( 0.000 -2.924 -2.081) 3.589 3.645 ( 0.000 0.040 -2.099) 2.099 3.928 ( 0.000 -2.330 -0.269) 2.346 4.320 ( 0.000 1.344 -6.427) 6.566 4.445 ( 0.000 -6.598 -0.647) 6.630 4.579 ( 0.000 -2.740 3.182) 4.199 4.690 ( 0.000 1.315 1.864) 2.282 4.736 ( 0.000 -1.252 -3.991) 4.182 4.740 ( 0.000 -5.213 1.480) 5.419 4.884 ( 0.000 -0.759 -6.604) 6.647 4.924 ( 0.000 -2.520 -0.403) 2.552 4.970 ( 0.000 9.584 -2.723) 9.963 5.233 ( 0.000 7.399 -6.500) 9.849 5.348 ( 0.000 -3.495 -0.797) 3.585 5.745 ( 0.000 -0.336 -1.164) 1.212 5.952 ( 0.000 2.197 4.341) 4.865 5.956 ( 0.000 5.130 8.262) 9.725 6.241 ( 0.000 7.034 6.223) 9.392 6.308 ( 0.000 5.023 -0.840) 5.093 6.314 ( 0.000 5.048 0.267) 5.055 6.384 ( 0.000 -0.993 -8.114) 8.174 6.856 ( 0.000 -2.808 -3.539) 4.518 7.192 ( 0.000 -3.435 -9.754) 10.341 7.206 ( 0.000 6.999 -7.307) 10.118 7.262 ( 0.000 -12.226 1.515) 12.319 7.349 ( 0.000 3.578 -6.217) 7.173 7.826 ( 0.000 6.881 6.101) 9.197 7.932 ( 0.000 -9.818 4.028) 10.613 8.141 ( 0.000 -7.419 -1.192) 7.514 8.380 ( 0.000 -5.993 -2.795) 6.613 8.423 ( 0.000 -4.027 -0.768) 4.100 8.446 ( 0.000 0.136 2.646) 2.649 8.600 ( 0.000 -8.899 5.839) 10.643 8.752 ( 0.000 -5.454 -2.457) 5.982 8.828 ( 0.000 0.671 -0.643) 0.930 9.043 ( 0.000 -4.262 -4.985) 6.559 9.239 ( 0.000 9.635 1.952) 9.831 9.357 ( 0.000 14.812 -9.853) 17.790 10.599 ( 0.000 3.536 -6.494) 7.395 10.669 ( 0.000 -8.908 -6.444) 10.994 10.881 ( 0.000 3.116 -0.469) 3.151 10.913 ( 0.000 2.785 -3.716) 4.643 11.384 ( 0.000 5.542 6.210) 8.323 11.498 ( 0.000 -8.167 3.475) 8.875 11.701 ( 0.000 0.676 -5.996) 6.034 11.808 ( 0.000 -2.051 -13.809) 13.960 11.940 ( 0.000 3.864 -2.707) 4.718 12.226 ( 0.000 0.312 -2.395) 2.415 12.337 ( 0.000 15.012 -2.094) 15.158 12.621 ( 0.000 -1.054 -3.134) 3.306 12.713 ( 0.000 2.320 11.621) 11.850 13.168 ( 0.000 -0.904 6.654) 6.716 13.982 ( 0.000 3.583 11.966) 12.491 15.096 ( 0.000 -4.897 -2.711) 5.598 15.369 ( 0.000 -24.476 12.488) 27.477 15.865 ( 0.000 -11.220 -2.468) 11.488 18.725 ( 0.000 8.130 0.042) 8.130 18.757 ( 0.000 13.307 -0.651) 13.323 18.772 ( 0.000 8.358 -0.279) 8.362 19.168 ( 0.000 37.380 -18.995) 41.929 20.427 ( 0.000 -3.415 0.842) 3.517 20.549 ( 0.000 -2.254 0.088) 2.256 21.121 ( 0.000 -0.190 -4.183) 4.187 21.282 ( 0.000 -3.607 -2.561) 4.424 22.051 ( 0.000 0.374 0.748) 0.836 22.192 ( 0.000 -0.381 -1.469) 1.518 22.623 ( 0.000 0.084 -1.585) 1.587 22.836 ( 0.000 -1.337 -4.924) 5.103 23.312 ( 0.000 -0.081 10.551) 10.551 23.519 ( 0.000 0.577 8.441) 8.461 23.724 ( 0.000 -9.090 6.563) 11.212 24.525 ( 0.000 -14.355 -5.319) 15.309 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 13.080 12.935 19.433) 26.759 1.439 ( 15.519 8.600 20.217) 26.899 1.994 ( -10.590 15.235 7.939) 20.181 2.056 ( -6.950 5.613 14.128) 16.715 2.362 ( 12.664 11.016 21.404) 27.201 2.540 ( 6.292 10.197 0.015) 11.982 2.817 ( -6.648 7.018 -3.623) 10.323 3.044 ( -1.741 -1.095 -8.021) 8.280 3.138 ( -0.413 -1.794 -4.511) 4.873 3.171 ( 7.214 1.286 -1.186) 7.423 3.282 ( -4.776 2.023 -0.497) 5.211 3.432 ( -2.100 8.295 -8.624) 12.148 3.597 ( -2.601 -4.451 0.309) 5.164 3.747 ( 5.231 -2.642 -5.048) 7.735 3.996 ( 5.910 -1.099 1.090) 6.109 4.299 ( -5.999 1.016 2.999) 6.784 4.384 ( -3.011 -1.366 1.572) 3.661 4.511 ( -7.405 -0.494 4.698) 8.783 4.598 ( -0.144 -3.927 -7.245) 8.242 4.651 ( -6.309 1.073 -5.103) 8.185 4.742 ( 1.763 -2.089 -1.752) 3.247 4.877 ( -1.535 -3.938 -3.066) 5.222 4.942 ( 2.805 0.808 -3.689) 4.704 5.011 ( 0.632 5.427 -5.744) 7.927 5.224 ( -0.379 7.294 -4.783) 8.730 5.294 ( -3.652 -1.572 0.686) 4.035 5.788 ( 2.906 1.018 -0.969) 3.228 5.924 ( -1.902 2.235 3.847) 4.839 6.036 ( 4.693 3.103 4.339) 7.105 6.210 ( -2.876 5.747 5.500) 8.458 6.262 ( -2.261 6.017 0.169) 6.430 6.282 ( -1.958 6.822 1.757) 7.311 6.515 ( 9.938 -3.430 -5.504) 11.867 6.831 ( -2.204 -5.208 -3.833) 6.832 7.175 ( -0.157 -3.581 -6.822) 7.706 7.238 ( 0.268 2.634 -8.519) 8.921 7.269 ( 0.948 -4.370 -0.067) 4.472 7.348 ( -0.602 3.598 -5.044) 6.224 7.851 ( 4.133 2.910 7.968) 9.436 7.993 ( 2.565 -9.707 0.553) 10.055 8.116 ( -1.899 -6.408 -0.747) 6.725 8.236 ( -6.902 -2.804 0.549) 7.470 8.368 ( -2.267 2.410 2.176) 3.960 8.467 ( -0.790 -3.112 -1.300) 3.464 8.689 ( 5.057 -10.460 3.285) 12.074 8.789 ( 1.611 -7.211 -0.716) 7.423 8.877 ( 3.200 -3.482 -2.923) 5.559 9.024 ( -1.918 -4.364 -3.815) 6.105 9.254 ( 1.506 10.572 0.551) 10.693 9.361 ( -0.842 12.798 -8.214) 15.231 10.625 ( 2.211 3.441 -6.860) 7.987 10.715 ( 1.192 -4.358 -9.235) 10.281 10.906 ( 2.046 2.534 -0.856) 3.368 10.949 ( 3.034 -0.162 -3.427) 4.580 11.331 ( -0.174 -1.619 3.417) 3.785 11.544 ( -0.260 -10.100 2.392) 10.383 11.721 ( 1.331 -0.407 -5.534) 5.706 11.770 ( -2.153 0.816 -9.997) 10.259 11.987 ( 4.527 8.264 -4.558) 10.467 12.232 ( -1.293 11.218 -3.652) 11.868 12.381 ( 3.882 5.617 -2.142) 7.156 12.579 ( -3.295 -1.530 -2.937) 4.671 12.726 ( 2.475 -0.558 11.672) 11.944 13.072 ( -8.000 -1.080 6.314) 10.248 14.065 ( 7.231 3.585 13.395) 15.639 14.695 ( -21.661 -3.280 13.127) 25.540 15.613 ( 10.294 -18.175 -0.444) 20.892 15.844 ( -1.960 -12.027 -2.602) 12.460 18.725 ( -0.024 8.141 0.064) 8.142 18.738 ( -0.772 9.497 -0.127) 9.530 18.812 ( 2.737 13.668 -1.234) 13.994 19.043 ( -8.111 29.923 -10.076) 32.599 20.445 ( 2.414 -2.359 0.846) 3.480 20.591 ( -0.045 -2.088 1.778) 2.743 21.071 ( 1.889 -2.418 -4.331) 5.308 21.339 ( -1.633 -3.383 -6.791) 7.761 22.108 ( 6.685 0.841 -0.438) 6.752 22.320 ( 9.126 -0.788 -5.259) 10.562 22.529 ( -8.017 0.200 -1.406) 8.142 22.730 ( -8.183 -1.300 -4.972) 9.663 23.312 ( 1.922 0.738 10.043) 10.252 23.444 ( -2.704 0.324 8.448) 8.876 24.006 ( 16.105 -9.459 1.528) 18.739 24.474 ( -4.771 -13.318 -3.931) 14.683 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -16.154 13.767 12.617) 24.691 1.681 ( 16.154 13.767 12.617) 24.691 1.790 ( -15.072 5.545 16.706) 23.174 1.790 ( 15.072 5.545 16.706) 23.174 2.642 ( -6.774 8.205 -2.686) 10.974 2.642 ( 6.774 8.205 -2.686) 10.974 2.823 ( -15.623 3.800 2.684) 16.301 2.823 ( 15.623 3.800 2.684) 16.301 3.203 ( -5.048 -2.732 0.715) 5.785 3.203 ( 5.048 -2.732 0.715) 5.785 3.331 ( -6.604 7.826 -6.665) 12.218 3.331 ( 6.604 7.826 -6.665) 12.218 3.649 ( -8.308 -3.681 2.250) 9.362 3.649 ( 8.308 -3.681 2.250) 9.362 4.158 ( -7.525 0.029 2.464) 7.919 4.158 ( 7.525 0.029 2.464) 7.919 4.390 ( -6.134 0.335 1.816) 6.406 4.390 ( 6.134 0.335 1.816) 6.406 4.585 ( -1.109 0.681 -8.622) 8.720 4.585 ( 1.109 0.681 -8.622) 8.720 4.813 ( -4.085 -4.993 -2.136) 6.795 4.813 ( 4.085 -4.993 -2.136) 6.795 4.994 ( -1.930 2.295 -5.954) 6.667 4.994 ( 1.930 2.295 -5.954) 6.667 5.233 ( -1.477 4.034 -1.082) 4.430 5.233 ( 1.477 4.034 -1.082) 4.430 5.862 ( -3.493 1.876 0.726) 4.031 5.862 ( 3.493 1.876 0.726) 4.031 6.128 ( -3.877 3.558 3.349) 6.237 6.128 ( 3.877 3.558 3.349) 6.237 6.249 ( -0.737 7.284 2.737) 7.816 6.249 ( 0.737 7.284 2.737) 7.816 6.730 ( -7.682 -6.246 -4.289) 10.789 6.730 ( 7.682 -6.246 -4.289) 10.789 7.196 ( -2.106 -3.032 -5.887) 6.949 7.196 ( 2.106 -3.032 -5.887) 6.949 7.316 ( -2.097 3.727 -3.575) 5.574 7.316 ( 2.097 3.727 -3.575) 5.574 7.981 ( -5.063 -4.773 4.490) 8.281 7.981 ( 5.063 -4.773 4.490) 8.281 8.103 ( -2.997 -3.180 0.328) 4.382 8.103 ( 2.997 -3.180 0.328) 4.382 8.406 ( -3.819 0.384 -0.592) 3.883 8.406 ( 3.819 0.384 -0.592) 3.883 8.779 ( -2.682 -11.767 0.250) 12.071 8.779 ( 2.682 -11.767 0.250) 12.071 8.956 ( -3.903 -3.315 -2.400) 5.655 8.956 ( 3.903 -3.315 -2.400) 5.655 9.308 ( -3.119 11.512 -3.229) 12.356 9.308 ( 3.119 11.512 -3.229) 12.356 10.685 ( -2.823 2.008 -8.015) 8.731 10.685 ( 2.823 2.008 -8.015) 8.731 10.960 ( -2.101 0.627 -1.640) 2.738 10.960 ( 2.101 0.627 -1.640) 2.738 11.439 ( -7.588 -10.753 -1.206) 13.216 11.439 ( 7.588 -10.753 -1.206) 13.216 11.744 ( -0.818 0.633 -5.945) 6.034 11.744 ( 0.818 0.633 -5.945) 6.034 12.127 ( -7.063 14.113 -3.673) 16.204 12.127 ( 7.063 14.113 -3.673) 16.204 12.487 ( -4.962 -0.798 -2.637) 5.676 12.487 ( 4.962 -0.798 -2.637) 5.676 12.864 ( -9.349 -1.629 8.153) 12.511 12.864 ( 9.349 -1.629 8.153) 12.511 14.297 ( -14.061 2.099 15.740) 21.210 14.297 ( 14.061 2.099 15.740) 21.210 15.773 ( -4.789 -14.259 -2.717) 15.285 15.773 ( 4.789 -14.259 -2.717) 15.285 18.727 ( -0.247 8.392 0.054) 8.396 18.727 ( 0.247 8.392 0.054) 8.396 18.895 ( -5.016 19.924 -3.399) 20.825 18.895 ( 5.016 19.924 -3.399) 20.825 20.526 ( -4.322 -1.850 2.076) 5.139 20.526 ( 4.322 -1.850 2.076) 5.139 21.207 ( -8.163 -3.451 -5.971) 10.686 21.207 ( 8.163 -3.451 -5.971) 10.686 22.310 ( -10.405 0.637 -2.152) 10.644 22.310 ( 10.405 0.637 -2.152) 10.644 22.534 ( -9.375 -1.098 -6.063) 11.219 22.534 ( 9.375 -1.098 -6.063) 11.219 23.381 ( -3.341 0.911 8.449) 9.131 23.381 ( 3.341 0.911 8.449) 9.131 24.306 ( -10.593 -11.192 -1.690) 15.503 24.306 ( 10.593 -11.192 -1.690) 15.503 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 17.249 18.960) 25.633 1.507 ( 0.000 17.263 15.894) 23.466 2.249 ( 0.000 9.261 10.589) 14.068 2.517 ( 0.000 19.307 9.017) 21.309 2.627 ( 0.000 7.265 2.877) 7.814 2.627 ( 0.000 17.153 9.156) 19.444 2.921 ( 0.000 -1.371 3.078) 3.369 2.922 ( 0.000 -5.755 4.051) 7.038 3.080 ( 0.000 -2.243 2.181) 3.128 3.289 ( 0.000 8.559 -3.631) 9.298 3.426 ( 0.000 -0.704 -7.826) 7.857 3.563 ( 0.000 5.133 0.122) 5.135 3.590 ( 0.000 7.808 -3.826) 8.695 3.767 ( 0.000 9.876 -7.818) 12.596 3.855 ( 0.000 -3.057 -1.419) 3.370 4.285 ( 0.000 -5.276 -7.389) 9.079 4.329 ( 0.000 -5.898 -7.841) 9.811 4.464 ( 0.000 -7.333 3.056) 7.944 4.629 ( 0.000 -6.136 1.508) 6.318 4.684 ( 0.000 -0.521 5.671) 5.695 4.696 ( 0.000 -2.672 -0.423) 2.705 4.822 ( 0.000 -4.444 -5.115) 6.776 4.972 ( 0.000 3.444 -1.574) 3.787 5.196 ( 0.000 5.589 -4.671) 7.284 5.280 ( 0.000 3.976 1.223) 4.160 5.378 ( 0.000 8.575 -8.971) 12.410 5.767 ( 0.000 2.979 -3.999) 4.987 6.002 ( 0.000 3.164 0.996) 3.317 6.030 ( 0.000 0.592 2.129) 2.210 6.370 ( 0.000 0.123 0.091) 0.153 6.375 ( 0.000 6.639 0.384) 6.650 6.420 ( 0.000 5.454 -6.858) 8.763 6.491 ( 0.000 11.360 6.038) 12.865 6.831 ( 0.000 1.338 -3.535) 3.779 7.042 ( 0.000 -8.371 2.089) 8.627 7.114 ( 0.000 -4.647 -8.107) 9.344 7.357 ( 0.000 5.880 -6.989) 9.134 7.396 ( 0.000 0.748 -3.348) 3.430 7.692 ( 0.000 -13.563 3.154) 13.925 7.844 ( 0.000 -9.479 -0.588) 9.497 8.046 ( 0.000 2.827 4.816) 5.584 8.276 ( 0.000 -3.222 -0.946) 3.358 8.278 ( 0.000 -7.439 -1.552) 7.599 8.435 ( 0.000 -8.084 4.560) 9.282 8.460 ( 0.000 -2.260 3.447) 4.122 8.688 ( 0.000 0.128 -2.302) 2.305 8.847 ( 0.000 0.810 0.152) 0.824 8.915 ( 0.000 -8.389 -1.744) 8.568 9.457 ( 0.000 12.220 0.171) 12.221 9.608 ( 0.000 11.178 -10.963) 15.656 10.476 ( 0.000 -10.442 -6.624) 12.366 10.610 ( 0.000 -4.558 -7.881) 9.104 10.964 ( 0.000 2.641 -3.857) 4.675 10.978 ( 0.000 6.806 -1.884) 7.062 11.294 ( 0.000 -9.515 2.861) 9.936 11.473 ( 0.000 1.564 1.873) 2.440 11.756 ( 0.000 4.385 -5.078) 6.709 11.789 ( 0.000 1.425 -7.016) 7.159 12.046 ( 0.000 5.423 -1.335) 5.585 12.235 ( 0.000 0.534 -3.123) 3.168 12.476 ( 0.000 -1.077 1.707) 2.018 12.565 ( 0.000 -5.000 -3.806) 6.283 12.895 ( 0.000 14.495 0.367) 14.500 13.164 ( 0.000 0.832 7.872) 7.916 14.089 ( 0.000 7.421 10.469) 12.833 14.959 ( 0.000 -8.832 -1.297) 8.927 14.986 ( 0.000 -12.692 17.097) 21.293 15.587 ( 0.000 -16.022 -0.165) 16.023 18.948 ( 0.000 14.051 -0.641) 14.065 18.990 ( 0.000 13.013 -0.033) 13.013 19.071 ( 0.000 16.902 -1.961) 17.015 19.771 ( 0.000 18.824 -24.762) 31.105 20.364 ( 0.000 -0.792 -2.166) 2.306 20.492 ( 0.000 -3.209 -0.512) 3.249 21.112 ( 0.000 -0.827 -5.468) 5.530 21.183 ( 0.000 -6.036 -2.945) 6.716 22.064 ( 0.000 0.979 0.743) 1.229 22.180 ( 0.000 -0.901 -1.097) 1.420 22.628 ( 0.000 0.530 -1.398) 1.495 22.797 ( 0.000 -2.605 -4.303) 5.030 23.308 ( 0.000 -0.298 11.270) 11.274 23.527 ( 0.000 -9.463 13.768) 16.706 23.546 ( 0.000 2.476 6.913) 7.343 24.229 ( 0.000 -14.618 -1.348) 14.680 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 11.729 15.094 16.506) 25.256 1.672 ( 11.512 14.492 15.187) 23.941 2.179 ( -7.535 8.779 9.755) 15.133 2.334 ( -14.171 15.113 7.238) 21.945 2.640 ( 7.114 10.258 8.199) 14.935 2.757 ( 4.449 7.833 1.305) 9.102 2.904 ( 1.314 6.008 2.853) 6.780 2.980 ( -1.101 -8.184 -0.976) 8.315 3.072 ( 0.009 -1.078 2.350) 2.585 3.192 ( -4.653 1.641 0.479) 4.957 3.429 ( 1.770 8.612 -2.086) 9.036 3.534 ( 0.952 6.496 -3.990) 7.683 3.670 ( -4.506 9.558 -6.348) 12.327 3.748 ( 3.432 4.549 -5.173) 7.696 3.940 ( 7.050 -4.164 0.877) 8.235 4.270 ( -4.844 -4.570 -2.277) 7.038 4.353 ( 1.916 -2.138 -3.638) 4.634 4.492 ( -0.058 -6.318 -4.088) 7.525 4.520 ( -2.572 2.752 6.007) 7.090 4.610 ( -3.405 -5.064 -1.630) 6.316 4.698 ( -0.779 -3.316 0.241) 3.415 4.788 ( -3.184 -3.560 -2.662) 5.468 4.997 ( 1.304 2.676 -1.329) 3.259 5.137 ( -4.475 1.793 -2.546) 5.451 5.305 ( 2.105 7.536 -2.216) 8.132 5.373 ( -0.607 8.502 -7.602) 11.421 5.813 ( 3.188 1.903 -4.349) 5.718 5.937 ( -2.654 -0.483 -1.435) 3.056 6.137 ( 5.339 5.004 3.324) 8.037 6.327 ( -2.960 4.891 -0.216) 5.721 6.422 ( 0.136 9.142 -1.789) 9.316 6.442 ( 2.159 3.668 -0.632) 4.303 6.480 ( 2.522 6.226 3.405) 7.531 6.764 ( -5.015 -0.315 -3.249) 5.984 7.061 ( 1.031 -7.282 -0.277) 7.360 7.107 ( -0.542 -6.306 -5.755) 8.555 7.355 ( 0.411 2.371 -4.969) 5.521 7.405 ( -0.238 1.849 -3.058) 3.581 7.738 ( 3.674 -13.065 0.453) 13.579 7.835 ( -0.720 -9.980 -1.516) 10.120 8.033 ( -0.498 0.783 3.723) 3.837 8.186 ( -5.898 -1.522 1.473) 6.267 8.331 ( 4.044 -3.405 -0.199) 5.290 8.428 ( 1.476 -3.734 2.802) 4.896 8.541 ( 2.737 -4.918 2.219) 6.050 8.652 ( -3.077 -3.409 -1.653) 4.881 8.848 ( 0.371 -1.069 0.119) 1.138 8.902 ( -1.123 -7.765 -1.375) 7.965 9.476 ( 1.716 12.041 -1.003) 12.204 9.589 ( -1.937 10.932 -8.588) 14.036 10.551 ( 5.242 -11.180 -8.689) 15.099 10.627 ( 1.161 -5.567 -8.339) 10.094 10.975 ( 0.875 2.473 -3.519) 4.389 10.982 ( 0.288 5.369 -2.352) 5.868 11.270 ( -1.261 -6.094 2.021) 6.543 11.399 ( -5.327 -2.525 0.741) 5.941 11.773 ( 1.160 4.956 -4.509) 6.800 11.799 ( 0.519 3.093 -6.417) 7.142 12.154 ( 8.751 7.606 0.033) 11.595 12.294 ( 4.325 -0.544 -2.514) 5.032 12.496 ( -0.369 -3.393 -4.263) 5.461 12.563 ( 1.232 0.833 -1.842) 2.368 12.779 ( -7.741 8.574 5.743) 12.900 13.059 ( -8.830 0.060 6.719) 11.096 14.175 ( 7.106 7.727 11.318) 15.437 14.649 ( -13.882 -0.408 12.274) 18.534 15.259 ( 10.813 -16.891 2.882) 20.261 15.553 ( -3.100 -16.525 -0.128) 16.813 18.946 ( -0.155 13.824 -0.477) 13.833 18.964 ( -1.301 13.300 -0.052) 13.364 19.144 ( 5.662 17.476 -3.001) 18.614 19.579 ( -13.175 20.066 -15.657) 28.660 20.400 ( 3.139 -1.057 -0.912) 3.436 20.546 ( 1.051 -1.750 0.240) 2.056 20.999 ( -0.780 -4.827 -3.341) 5.922 21.243 ( -2.396 -6.287 -7.168) 9.830 22.133 ( 6.865 1.621 -0.753) 7.094 22.297 ( 8.620 -1.538 -4.347) 9.776 22.537 ( -7.698 0.711 -1.517) 7.878 22.694 ( -7.805 -2.293 -4.371) 9.234 23.332 ( 3.104 1.301 10.561) 11.084 23.460 ( -1.579 1.392 7.957) 8.231 23.791 ( 13.150 -10.835 8.082) 18.859 24.186 ( -4.027 -14.729 0.074) 15.270 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -11.061 11.577 12.782) 20.488 1.931 ( 11.061 11.577 12.782) 20.488 1.982 ( -13.887 12.812 11.916) 22.338 1.982 ( 13.887 12.812 11.916) 22.338 2.813 ( -3.875 -1.186 -1.295) 4.255 2.813 ( 3.875 -1.186 -1.295) 4.255 2.887 ( -1.052 7.796 -1.584) 8.024 2.887 ( 1.052 7.796 -1.584) 8.024 3.127 ( -3.930 -2.899 3.671) 6.109 3.127 ( 3.930 -2.899 3.671) 6.109 3.505 ( -4.519 10.017 -2.025) 11.174 3.505 ( 4.519 10.017 -2.025) 11.174 3.689 ( -7.432 7.794 -2.307) 11.014 3.689 ( 7.432 7.794 -2.307) 11.014 4.111 ( -7.753 -3.775 1.361) 8.730 4.111 ( 7.753 -3.775 1.361) 8.730 4.412 ( -4.375 0.400 0.523) 4.425 4.412 ( 4.375 0.400 0.523) 4.425 4.571 ( -0.958 -1.934 -5.189) 5.620 4.571 ( 0.958 -1.934 -5.189) 5.620 4.708 ( -2.825 -4.752 -0.282) 5.535 4.708 ( 2.825 -4.752 -0.282) 5.535 5.042 ( -3.349 1.371 -1.299) 3.845 5.042 ( 3.349 1.371 -1.299) 3.845 5.349 ( -1.549 8.337 -5.336) 10.019 5.349 ( 1.549 8.337 -5.336) 10.019 5.881 ( -2.718 0.283 -3.466) 4.414 5.881 ( 2.718 0.283 -3.466) 4.414 6.241 ( -4.390 6.136 1.552) 7.703 6.241 ( 4.390 6.136 1.552) 7.703 6.430 ( -0.713 10.477 1.976) 10.686 6.430 ( 0.713 10.477 1.976) 10.686 6.629 ( -7.235 -2.484 -2.611) 8.083 6.629 ( 7.235 -2.484 -2.611) 8.083 7.086 ( -1.277 -6.928 -3.328) 7.791 7.086 ( 1.277 -6.928 -3.328) 7.791 7.380 ( -1.592 1.203 -2.748) 3.396 7.380 ( 1.592 1.203 -2.748) 3.396 7.809 ( -2.061 -12.164 -2.390) 12.567 7.809 ( 2.061 -12.164 -2.390) 12.567 8.066 ( -3.998 -0.227 3.289) 5.182 8.066 ( 3.998 -0.227 3.289) 5.182 8.427 ( -3.105 1.353 0.785) 3.477 8.427 ( 3.105 1.353 0.785) 3.477 8.581 ( -2.451 -7.839 0.668) 8.240 8.581 ( 2.451 -7.839 0.668) 8.240 8.871 ( -1.532 -5.099 -0.540) 5.351 8.871 ( 1.532 -5.099 -0.540) 5.351 9.530 ( -2.957 11.475 -4.240) 12.586 9.530 ( 2.957 11.475 -4.240) 12.586 10.633 ( -1.402 -8.818 -9.471) 13.016 10.633 ( 1.402 -8.818 -9.471) 13.016 10.988 ( -0.056 2.834 -2.975) 4.109 10.988 ( 0.056 2.834 -2.975) 4.109 11.290 ( -3.523 -4.330 0.657) 5.620 11.290 ( 3.523 -4.330 0.657) 5.620 11.797 ( -0.774 4.886 -5.213) 7.187 11.797 ( 0.774 4.886 -5.213) 7.187 12.348 ( -3.741 4.793 0.921) 6.149 12.348 ( 3.741 4.793 0.921) 6.149 12.478 ( -3.992 2.632 -5.712) 7.449 12.478 ( 3.992 2.632 -5.712) 7.449 12.827 ( -10.385 -1.944 7.776) 13.118 12.827 ( 10.385 -1.944 7.776) 13.118 14.376 ( -10.805 6.218 12.801) 17.869 14.376 ( 10.805 6.218 12.801) 17.869 15.448 ( -6.518 -17.504 0.387) 18.682 15.448 ( 6.518 -17.504 0.387) 18.682 18.946 ( -0.333 13.459 -0.179) 13.464 18.946 ( 0.333 13.459 -0.179) 13.464 19.314 ( -9.917 19.381 -6.818) 22.814 19.314 ( 9.917 19.381 -6.818) 22.814 20.490 ( -4.471 -0.933 1.134) 4.705 20.490 ( 4.471 -0.933 1.134) 4.705 21.105 ( -7.880 -6.906 -5.897) 12.023 21.105 ( 7.880 -6.906 -5.897) 12.023 22.329 ( -9.977 1.351 -2.190) 10.304 22.329 ( 9.977 1.351 -2.190) 10.304 22.503 ( -9.243 -1.999 -5.548) 10.964 22.503 ( 9.243 -1.999 -5.548) 10.964 23.412 ( -3.169 2.335 8.396) 9.273 23.412 ( 3.169 2.335 8.396) 9.273 24.043 ( -9.057 -14.176 3.493) 17.181 24.043 ( 9.057 -14.176 3.493) 17.181 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 18.666 13.258) 22.895 1.863 ( 0.000 18.114 9.655) 20.526 2.409 ( 0.000 4.407 6.580) 7.919 2.573 ( 0.000 -12.443 4.618) 13.272 2.590 ( 0.000 -5.352 3.061) 6.165 2.885 ( 0.000 11.657 0.881) 11.690 2.916 ( 0.000 4.991 5.052) 7.101 2.937 ( 0.000 -10.835 6.243) 12.505 3.207 ( 0.000 20.732 6.908) 21.852 3.364 ( 0.000 2.142 4.080) 4.608 3.461 ( 0.000 2.690 -1.026) 2.879 3.632 ( 0.000 -4.925 0.105) 4.926 3.792 ( 0.000 14.692 -0.087) 14.693 3.865 ( 0.000 7.820 -8.518) 11.563 4.027 ( 0.000 11.632 -7.344) 13.757 4.132 ( 0.000 -8.308 -4.250) 9.332 4.203 ( 0.000 -5.353 -6.573) 8.477 4.330 ( 0.000 -6.718 -1.649) 6.917 4.463 ( 0.000 -10.533 0.986) 10.579 4.577 ( 0.000 -9.710 -2.373) 9.996 4.733 ( 0.000 5.334 5.294) 7.515 4.804 ( 0.000 3.390 0.167) 3.394 4.971 ( 0.000 -3.422 -0.122) 3.424 5.087 ( 0.000 -8.180 4.020) 9.115 5.565 ( 0.000 14.927 -8.657) 17.256 5.573 ( 0.000 10.209 -8.774) 13.461 5.847 ( 0.000 3.754 -7.669) 8.539 5.972 ( 0.000 -5.389 -4.020) 6.723 6.101 ( 0.000 7.544 0.042) 7.544 6.358 ( 0.000 -1.703 1.634) 2.360 6.499 ( 0.000 5.053 -4.564) 6.809 6.505 ( 0.000 2.438 -9.477) 9.785 6.692 ( 0.000 8.393 3.760) 9.196 6.922 ( 0.000 7.010 -0.292) 7.016 6.962 ( 0.000 0.752 3.499) 3.579 7.006 ( 0.000 -6.469 -4.623) 7.951 7.328 ( 0.000 -9.114 -2.356) 9.414 7.365 ( 0.000 -6.392 -4.660) 7.910 7.489 ( 0.000 -3.711 2.962) 4.748 7.623 ( 0.000 -8.981 -3.224) 9.542 8.127 ( 0.000 3.374 3.528) 4.882 8.169 ( 0.000 -3.096 -0.683) 3.171 8.282 ( 0.000 -4.307 4.098) 5.945 8.315 ( 0.000 4.898 2.047) 5.309 8.363 ( 0.000 -6.371 1.707) 6.595 8.703 ( 0.000 -6.922 1.029) 6.998 8.763 ( 0.000 0.134 0.238) 0.273 8.851 ( 0.000 -0.589 0.863) 1.045 9.721 ( 0.000 14.717 -1.873) 14.835 9.816 ( 0.000 10.263 -10.121) 14.414 10.267 ( 0.000 -10.622 -7.246) 12.858 10.403 ( 0.000 -15.104 -5.959) 16.237 11.021 ( 0.000 3.151 -3.467) 4.685 11.129 ( 0.000 6.931 -2.248) 7.287 11.166 ( 0.000 -3.166 -0.867) 3.282 11.424 ( 0.000 -5.494 -4.290) 6.971 11.862 ( 0.000 5.709 -4.353) 7.179 11.870 ( 0.000 5.305 1.546) 5.525 12.143 ( 0.000 4.801 1.861) 5.149 12.249 ( 0.000 1.062 -4.264) 4.394 12.400 ( 0.000 -5.231 1.954) 5.584 12.430 ( 0.000 -8.202 -1.745) 8.386 13.133 ( 0.000 8.228 -0.976) 8.285 13.196 ( 0.000 1.965 6.738) 7.019 14.275 ( 0.000 11.311 7.191) 13.403 14.757 ( 0.000 -11.483 0.740) 11.507 14.877 ( 0.000 1.072 12.460) 12.506 15.269 ( 0.000 -15.656 2.529) 15.859 19.245 ( 0.000 11.847 -0.074) 11.847 19.254 ( 0.000 16.384 -1.835) 16.487 19.352 ( 0.000 10.080 -1.901) 10.258 19.836 ( 0.000 -8.490 -9.437) 12.694 20.442 ( 0.000 5.158 -11.023) 12.170 20.446 ( 0.000 -0.792 -2.192) 2.330 21.073 ( 0.000 -4.098 -5.054) 6.507 21.085 ( 0.000 -1.836 -7.335) 7.562 22.090 ( 0.000 1.596 0.452) 1.659 22.157 ( 0.000 -1.476 -0.611) 1.597 22.647 ( 0.000 1.387 -1.359) 1.942 22.739 ( 0.000 -3.056 -2.940) 4.241 23.304 ( 0.000 0.068 12.302) 12.302 23.383 ( 0.000 -5.082 15.107) 15.938 23.623 ( 0.000 5.431 4.919) 7.327 23.966 ( 0.000 -11.979 0.646) 11.996 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 8.366 16.608 11.628) 21.932 1.984 ( 8.613 16.631 9.702) 21.093 2.378 ( -4.646 10.462 7.176) 13.511 2.546 ( -8.307 2.004 5.395) 10.106 2.567 ( 0.465 -8.814 1.992) 9.049 2.711 ( -2.690 -7.377 4.690) 9.146 2.886 ( -7.761 -2.542 0.131) 8.168 2.907 ( -3.691 -11.090 6.535) 13.391 3.238 ( 2.772 17.465 3.610) 18.048 3.328 ( 0.990 11.573 -0.364) 11.621 3.583 ( 5.543 5.035 0.110) 7.490 3.659 ( 1.954 -1.456 0.285) 2.453 3.827 ( 2.220 11.372 0.073) 11.587 3.912 ( 4.766 4.025 -4.574) 7.736 3.949 ( -4.314 11.579 -6.596) 14.007 4.140 ( 0.772 -6.319 -4.522) 7.809 4.302 ( 5.702 -4.945 -4.910) 9.005 4.371 ( 0.645 -3.737 -3.780) 5.354 4.434 ( -0.578 -10.537 0.467) 10.563 4.556 ( -2.354 -8.497 -1.831) 9.005 4.677 ( -2.174 8.490 6.057) 10.653 4.787 ( -2.162 3.118 1.289) 4.007 4.982 ( 0.582 -4.128 1.261) 4.356 5.057 ( -2.468 -7.209 4.167) 8.685 5.555 ( -0.262 12.226 -8.203) 14.725 5.577 ( -0.275 12.619 -8.051) 14.971 5.857 ( 0.599 1.497 -6.591) 6.785 5.902 ( -2.950 -3.419 -4.219) 6.180 6.212 ( 6.452 4.006 -2.377) 7.957 6.398 ( 1.114 2.455 -1.919) 3.309 6.444 ( 0.286 -0.117 -5.419) 5.428 6.575 ( 2.601 2.938 -3.917) 5.544 6.677 ( -1.042 10.604 2.984) 11.065 6.845 ( -5.362 7.502 -0.193) 9.224 6.971 ( 0.029 -0.496 2.296) 2.349 6.989 ( -1.038 -5.453 -3.193) 6.404 7.312 ( 0.221 -5.971 -1.450) 6.149 7.405 ( 0.249 -3.241 -3.550) 4.814 7.474 ( 0.623 -11.275 0.494) 11.303 7.606 ( -1.768 -10.807 -3.648) 11.542 8.076 ( -1.078 3.049 2.542) 4.114 8.183 ( -3.305 1.256 1.802) 3.969 8.286 ( 3.202 -4.837 2.490) 6.312 8.356 ( 3.468 -1.631 1.889) 4.272 8.431 ( 3.925 -2.101 1.291) 4.635 8.686 ( -4.168 3.584 0.828) 5.559 8.730 ( 0.162 -8.722 0.836) 8.763 8.822 ( -2.367 -1.899 0.972) 3.187 9.735 ( 1.294 14.430 -2.984) 14.792 9.809 ( -0.894 11.728 -8.271) 14.379 10.309 ( 3.261 -12.933 -7.718) 15.410 10.404 ( -0.197 -15.444 -6.520) 16.765 11.032 ( 0.966 3.246 -3.656) 4.983 11.105 ( -1.850 6.464 -3.268) 7.475 11.172 ( 0.897 -3.639 -0.764) 3.825 11.341 ( -5.896 -4.293 -3.425) 8.057 11.895 ( 2.086 6.477 -0.494) 6.823 11.906 ( 2.706 7.352 -4.467) 9.018 12.225 ( 3.679 -1.619 3.069) 5.057 12.317 ( 6.852 4.450 -0.920) 8.222 12.372 ( -1.141 -7.546 -5.800) 9.586 12.513 ( 8.209 -4.286 3.840) 10.025 12.962 ( -13.356 7.476 1.669) 15.396 13.069 ( -10.801 0.464 5.236) 12.012 14.368 ( 7.296 11.700 7.778) 15.831 14.696 ( -5.162 4.441 7.302) 9.984 14.959 ( 6.326 -12.931 5.262) 15.327 15.227 ( -3.780 -16.130 2.442) 16.746 19.229 ( -0.634 12.996 -0.377) 13.017 19.246 ( -0.825 15.795 -1.395) 15.878 19.413 ( 4.940 8.059 -2.814) 9.863 19.735 ( -7.739 -3.398 -8.366) 11.893 20.437 ( 2.728 4.105 -3.836) 6.246 20.560 ( 4.598 2.842 -5.728) 7.876 20.901 ( -6.114 -3.665 -2.465) 7.543 21.099 ( -4.766 -8.156 -7.491) 12.056 22.171 ( 7.087 2.178 -1.311) 7.529 22.260 ( 7.965 -2.113 -3.206) 8.842 22.559 ( -7.308 1.485 -1.788) 7.669 22.644 ( -7.323 -2.621 -3.359) 8.473 23.364 ( 5.207 2.095 11.270) 12.590 23.480 ( 4.718 -0.963 9.737) 10.862 23.646 ( 3.177 -1.879 7.894) 8.714 23.920 ( -4.205 -12.041 2.372) 12.973 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -8.385 14.201 9.818) 19.193 2.188 ( 8.385 14.201 9.818) 19.193 2.230 ( -11.574 12.664 8.035) 18.944 2.230 ( 11.574 12.664 8.035) 18.944 2.677 ( -8.368 -9.900 -0.200) 12.964 2.677 ( 8.368 -9.900 -0.200) 12.964 2.794 ( -5.976 -13.263 4.701) 15.288 2.794 ( 5.976 -13.263 4.701) 15.288 3.312 ( -2.791 15.287 -1.573) 15.619 3.312 ( 2.791 15.287 -1.573) 15.619 3.673 ( -1.716 2.757 1.106) 3.431 3.673 ( 1.716 2.757 1.106) 3.431 3.871 ( -2.344 10.561 -2.383) 11.078 3.871 ( 2.344 10.561 -2.383) 11.078 4.069 ( -7.373 1.011 -4.454) 8.673 4.069 ( 7.373 1.011 -4.454) 8.673 4.377 ( -2.581 -3.637 -0.659) 4.508 4.377 ( 2.581 -3.637 -0.659) 4.508 4.467 ( -4.405 -8.352 -2.663) 9.810 4.467 ( 4.405 -8.352 -2.663) 9.810 4.713 ( -3.960 5.358 3.220) 7.400 4.713 ( 3.960 5.358 3.220) 7.400 5.003 ( -1.788 -5.268 3.530) 6.588 5.003 ( 1.788 -5.268 3.530) 6.588 5.562 ( -0.800 12.071 -7.456) 14.210 5.562 ( 0.800 12.071 -7.456) 14.210 5.868 ( -0.652 -2.222 -5.637) 6.095 5.868 ( 0.652 -2.222 -5.637) 6.095 6.336 ( -4.593 4.376 -4.567) 7.817 6.336 ( 4.593 4.376 -4.567) 7.817 6.540 ( -5.040 -0.786 -1.928) 5.452 6.540 ( 5.040 -0.786 -1.928) 5.452 6.724 ( -5.017 10.946 0.558) 12.054 6.724 ( 5.017 10.946 0.558) 12.054 6.973 ( -0.344 -3.347 -0.371) 3.385 6.973 ( 0.344 -3.347 -0.371) 3.385 7.352 ( -3.044 -3.295 -0.188) 4.490 7.352 ( 3.044 -3.295 -0.188) 4.490 7.542 ( -3.754 -13.787 -4.133) 14.874 7.542 ( 3.754 -13.787 -4.133) 14.874 8.102 ( -3.042 3.895 2.653) 5.610 8.102 ( 3.042 3.895 2.653) 5.610 8.364 ( -2.718 -7.486 1.135) 8.044 8.364 ( 2.718 -7.486 1.135) 8.044 8.553 ( -6.623 4.208 1.525) 7.994 8.553 ( 6.623 4.208 1.525) 7.994 8.766 ( -2.353 -5.504 0.926) 6.057 8.766 ( 2.353 -5.504 0.926) 6.057 9.774 ( -2.006 13.646 -5.297) 14.775 9.774 ( 2.006 13.646 -5.297) 14.775 10.378 ( -2.355 -15.478 -7.566) 17.388 10.378 ( 2.355 -15.478 -7.566) 17.388 11.063 ( -1.776 4.328 -3.800) 6.027 11.063 ( 1.776 4.328 -3.800) 6.027 11.224 ( -4.021 -3.351 -1.999) 5.603 11.224 ( 4.021 -3.351 -1.999) 5.603 11.934 ( -0.644 8.677 -2.936) 9.183 11.934 ( 0.644 8.677 -2.936) 9.183 12.286 ( -3.153 -7.255 -0.943) 7.966 12.286 ( 3.153 -7.255 -0.943) 7.966 12.611 ( -13.971 7.175 -0.310) 15.709 12.611 ( 13.971 7.175 -0.310) 15.709 12.787 ( -12.279 -2.380 6.007) 13.875 12.787 ( 12.279 -2.380 6.007) 13.875 14.546 ( -8.030 11.008 8.739) 16.187 14.546 ( 8.030 11.008 8.739) 16.187 15.110 ( -6.550 -16.713 2.612) 18.139 15.110 ( 6.550 -16.713 2.612) 18.139 19.228 ( -0.511 14.455 -0.816) 14.487 19.228 ( 0.511 14.455 -0.816) 14.487 19.555 ( -7.732 3.686 -5.350) 10.099 19.555 ( 7.732 3.686 -5.350) 10.099 20.536 ( -5.195 6.445 -1.802) 8.472 20.536 ( 5.195 6.445 -1.802) 8.472 20.938 ( -7.630 -10.002 -5.631) 13.783 20.938 ( 7.630 -10.002 -5.631) 13.783 22.363 ( -9.519 2.042 -2.561) 10.067 22.363 ( 9.519 2.042 -2.561) 10.067 22.458 ( -9.147 -2.502 -4.574) 10.529 22.458 ( 9.147 -2.502 -4.574) 10.529 23.478 ( -3.855 4.566 8.298) 10.226 23.478 ( 3.855 4.566 8.298) 10.226 23.786 ( -7.515 -11.520 6.755) 15.324 23.786 ( 7.515 -11.520 6.755) 15.324 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 -1.649 6.760) 6.958 2.148 ( 0.000 1.649 6.760) 6.958 2.315 ( 0.000 -3.899 6.671) 7.727 2.315 ( 0.000 3.899 6.671) 7.727 2.704 ( 0.000 -11.452 6.799) 13.318 2.704 ( 0.000 11.452 6.799) 13.318 2.990 ( 0.000 -0.486 1.140) 1.239 2.990 ( 0.000 0.486 1.140) 1.239 3.436 ( 0.000 -4.851 8.904) 10.140 3.436 ( 0.000 4.851 8.904) 10.140 3.518 ( 0.000 -8.772 -3.361) 9.394 3.518 ( 0.000 8.772 -3.361) 9.394 3.963 ( 0.000 -0.673 -8.091) 8.119 3.963 ( 0.000 0.673 -8.091) 8.119 4.083 ( 0.000 -2.717 1.308) 3.015 4.083 ( 0.000 2.717 1.308) 3.015 4.242 ( 0.000 -1.119 -1.984) 2.278 4.242 ( 0.000 1.119 -1.984) 2.278 4.357 ( 0.000 -10.058 -4.315) 10.944 4.357 ( 0.000 10.058 -4.315) 10.944 4.861 ( 0.000 -6.616 1.778) 6.850 4.861 ( 0.000 6.616 1.778) 6.850 4.925 ( 0.000 -7.648 3.641) 8.471 4.925 ( 0.000 7.648 3.641) 8.471 5.722 ( 0.000 -1.921 -9.262) 9.459 5.722 ( 0.000 1.921 -9.262) 9.459 5.882 ( 0.000 -1.538 -7.048) 7.214 5.882 ( 0.000 1.538 -7.048) 7.214 6.272 ( 0.000 -7.761 1.936) 7.999 6.272 ( 0.000 7.761 1.936) 7.999 6.535 ( 0.000 -0.938 -11.433) 11.472 6.535 ( 0.000 0.938 -11.433) 11.472 6.853 ( 0.000 -8.658 -0.448) 8.669 6.853 ( 0.000 8.658 -0.448) 8.669 7.016 ( 0.000 -0.853 3.903) 3.995 7.016 ( 0.000 0.853 3.903) 3.995 7.215 ( 0.000 -3.028 -2.488) 3.920 7.215 ( 0.000 3.028 -2.488) 3.920 7.504 ( 0.000 -3.869 -0.365) 3.886 7.504 ( 0.000 3.869 -0.365) 3.886 8.157 ( 0.000 -1.040 0.512) 1.159 8.157 ( 0.000 1.040 0.512) 1.159 8.249 ( 0.000 -4.026 2.480) 4.729 8.249 ( 0.000 4.026 2.480) 4.729 8.497 ( 0.000 -10.925 3.207) 11.386 8.497 ( 0.000 10.925 3.207) 11.386 8.820 ( 0.000 -2.612 1.003) 2.798 8.820 ( 0.000 2.612 1.003) 2.798 9.974 ( 0.000 -1.521 -7.603) 7.753 9.974 ( 0.000 1.521 -7.603) 7.753 10.121 ( 0.000 -5.026 -4.786) 6.940 10.121 ( 0.000 5.026 -4.786) 6.940 11.087 ( 0.000 -3.461 -1.972) 3.983 11.087 ( 0.000 3.461 -1.972) 3.983 11.291 ( 0.000 -7.601 -4.986) 9.090 11.291 ( 0.000 7.601 -4.986) 9.090 11.932 ( 0.000 -0.195 0.146) 0.244 11.932 ( 0.000 0.195 0.146) 0.244 12.250 ( 0.000 -5.156 -0.638) 5.195 12.250 ( 0.000 5.156 -0.638) 5.195 12.313 ( 0.000 -1.597 -0.195) 1.609 12.313 ( 0.000 1.597 -0.195) 1.609 13.215 ( 0.000 -0.806 3.429) 3.523 13.215 ( 0.000 0.806 3.429) 3.523 14.517 ( 0.000 -12.742 3.420) 13.193 14.517 ( 0.000 12.742 3.420) 13.193 15.002 ( 0.000 -10.802 6.645) 12.682 15.002 ( 0.000 10.802 6.645) 12.682 19.407 ( 0.000 -3.299 -0.876) 3.413 19.407 ( 0.000 3.299 -0.876) 3.413 19.584 ( 0.000 -15.381 -3.732) 15.828 19.584 ( 0.000 15.381 -3.732) 15.828 20.466 ( 0.000 -1.780 -6.309) 6.555 20.466 ( 0.000 1.780 -6.309) 6.555 21.049 ( 0.000 -1.226 -8.058) 8.151 21.049 ( 0.000 1.226 -8.058) 8.151 22.124 ( 0.000 -1.796 -0.066) 1.798 22.124 ( 0.000 1.796 -0.066) 1.798 22.684 ( 0.000 -2.413 -1.791) 3.006 22.684 ( 0.000 2.413 -1.791) 3.006 23.319 ( 0.000 -1.711 13.700) 13.806 23.319 ( 0.000 1.711 13.700) 13.806 23.762 ( 0.000 -8.754 2.782) 9.185 23.762 ( 0.000 8.754 2.782) 9.185 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 7.108 -6.866 5.970) 11.546 2.226 ( 7.108 6.865 5.970) 11.546 2.361 ( 4.267 -7.833 6.238) 10.884 2.361 ( 4.267 7.833 6.238) 10.884 2.645 ( -5.249 -11.908 6.120) 14.380 2.645 ( -5.249 11.908 6.120) 14.380 2.792 ( -14.375 -5.696 3.605) 15.877 2.792 ( -14.375 5.696 3.605) 15.877 3.509 ( 4.137 -8.080 4.727) 10.234 3.509 ( 4.137 8.080 4.727) 10.234 3.557 ( 2.480 -5.777 -3.601) 7.245 3.557 ( 2.480 5.777 -3.601) 7.245 3.999 ( 2.954 -0.548 -5.192) 5.998 3.999 ( 2.954 0.548 -5.192) 5.998 4.102 ( 0.351 -1.127 -1.910) 2.246 4.102 ( 0.351 1.127 -1.910) 2.246 4.229 ( 1.605 -5.285 -0.545) 5.550 4.229 ( 1.605 5.285 -0.545) 5.550 4.389 ( 0.648 -6.139 -4.294) 7.520 4.389 ( 0.648 6.139 -4.294) 7.520 4.855 ( -0.429 -7.825 3.599) 8.624 4.855 ( -0.429 7.825 3.599) 8.624 4.901 ( -1.939 -7.284 4.131) 8.595 4.901 ( -1.939 7.284 4.131) 8.595 5.727 ( 0.793 -3.499 -8.075) 8.836 5.727 ( 0.793 3.499 -8.075) 8.836 5.843 ( -3.148 -1.815 -6.407) 7.366 5.843 ( -3.148 1.815 -6.407) 7.366 6.327 ( 4.689 -7.017 -2.164) 8.713 6.327 ( 4.689 7.017 -2.164) 8.713 6.528 ( -1.304 -6.055 -7.976) 10.099 6.528 ( -1.304 6.055 -7.976) 10.099 6.866 ( 1.166 -7.561 -1.117) 7.731 6.866 ( 1.166 7.561 -1.117) 7.731 6.980 ( -2.845 -2.539 3.114) 4.923 6.980 ( -2.845 2.539 3.114) 4.923 7.244 ( 2.808 -3.784 -2.127) 5.170 7.244 ( 2.808 3.784 -2.127) 5.170 7.452 ( -4.313 -4.354 -0.731) 6.172 7.452 ( -4.313 4.354 -0.731) 6.172 8.160 ( 1.186 -5.301 1.540) 5.646 8.160 ( 1.186 5.301 1.540) 5.646 8.259 ( -0.506 -4.908 2.052) 5.343 8.259 ( -0.506 4.908 2.052) 5.343 8.542 ( 4.058 -8.902 2.351) 10.062 8.542 ( 4.058 8.902 2.351) 10.062 8.770 ( -4.196 -3.482 1.182) 5.579 8.770 ( -4.196 3.482 1.182) 5.579 10.003 ( 2.429 -5.179 -7.181) 9.181 10.003 ( 2.429 5.179 -7.181) 9.181 10.110 ( -1.181 -6.332 -5.284) 8.331 10.110 ( -1.181 6.332 -5.284) 8.331 11.099 ( 1.235 -3.464 -2.480) 4.435 11.099 ( 1.235 3.464 -2.480) 4.435 11.236 ( -4.110 -6.093 -4.484) 8.610 11.236 ( -4.110 6.093 -4.484) 8.610 11.993 ( 4.861 -1.285 -0.744) 5.083 11.993 ( 4.861 1.285 -0.744) 5.083 12.224 ( -3.430 -4.616 -1.959) 6.075 12.224 ( -3.430 4.616 -1.959) 6.075 12.422 ( 10.445 -4.942 2.224) 11.768 12.422 ( 10.445 4.942 2.224) 11.768 13.056 ( -12.925 -2.333 3.583) 13.613 13.056 ( -12.925 2.333 3.583) 13.613 14.615 ( 7.713 -12.532 3.956) 15.238 14.615 ( 7.713 12.532 3.956) 15.238 14.947 ( -4.825 -11.216 6.234) 13.709 14.947 ( -4.825 11.216 6.234) 13.709 19.426 ( 1.641 -5.605 -1.290) 5.980 19.426 ( 1.641 5.605 -1.290) 5.980 19.547 ( -2.897 -13.457 -3.337) 14.164 19.547 ( -2.897 13.457 -3.337) 14.164 20.540 ( 6.308 -5.306 -5.511) 9.915 20.540 ( 6.308 5.306 -5.511) 9.915 20.939 ( -8.730 -7.081 -6.053) 12.767 20.939 ( -8.730 7.081 -6.053) 12.767 22.216 ( 7.422 -2.353 -2.139) 8.074 22.216 ( 7.422 2.353 -2.139) 8.074 22.596 ( -7.116 -2.241 -2.388) 7.833 22.596 ( -7.116 2.241 -2.388) 7.833 23.419 ( 7.702 -3.522 11.768) 14.499 23.419 ( 7.702 3.522 11.768) 14.499 23.722 ( -3.705 -7.814 4.356) 9.682 23.722 ( -3.705 7.814 4.356) 9.682 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -9.397 -10.049 5.777) 14.921 2.450 ( 7.602 -9.662 5.777) 13.583 2.450 ( -7.602 9.662 5.777) 13.583 2.450 ( 9.397 10.049 5.777) 14.921 2.509 ( -4.165 -12.910 4.679) 14.350 2.509 ( 4.129 -12.907 4.679) 14.337 2.509 ( -4.129 12.907 4.679) 14.337 2.509 ( 4.166 12.910 4.679) 14.350 3.574 ( -0.857 -10.492 -0.200) 10.529 3.574 ( 0.755 -10.490 -0.200) 10.519 3.574 ( -0.755 10.490 -0.200) 10.519 3.574 ( 0.857 10.492 -0.200) 10.529 4.068 ( -2.043 -5.870 -4.095) 7.443 4.068 ( 1.243 -5.814 -4.095) 7.219 4.068 ( -1.243 5.814 -4.095) 7.219 4.068 ( 2.043 5.870 -4.095) 7.443 4.332 ( -5.452 -2.551 -1.884) 6.307 4.332 ( -2.630 0.897 -1.884) 3.357 4.332 ( 2.630 -0.897 -1.884) 3.357 4.332 ( 5.452 2.551 -1.884) 6.307 4.860 ( -1.099 -8.416 4.988) 9.845 4.860 ( 1.055 -8.415 4.988) 9.839 4.860 ( -1.055 8.415 4.988) 9.839 4.860 ( 1.099 8.416 4.988) 9.845 5.769 ( -1.997 -8.038 -6.715) 10.663 5.769 ( 1.223 -8.000 -6.715) 10.515 5.769 ( -1.223 8.000 -6.715) 10.515 5.769 ( 1.997 8.038 -6.715) 10.663 6.450 ( -5.477 -6.810 -5.443) 10.296 6.450 ( 5.451 -6.805 -5.443) 10.278 6.450 ( -5.451 6.805 -5.443) 10.278 6.450 ( 5.477 6.810 -5.443) 10.296 6.912 ( -2.640 -6.104 0.709) 6.688 6.912 ( 2.213 -6.062 0.709) 6.492 6.912 ( -2.213 6.062 0.709) 6.492 6.912 ( 2.640 6.104 0.709) 6.688 7.338 ( -5.338 -4.842 -1.438) 7.349 7.338 ( 5.329 -4.839 -1.438) 7.340 7.338 ( -5.329 4.839 -1.438) 7.340 7.338 ( 5.338 4.842 -1.438) 7.349 8.213 ( -2.901 -7.135 1.985) 7.954 8.213 ( 2.768 -7.122 1.985) 7.894 8.213 ( -2.768 7.122 1.985) 7.894 8.213 ( 2.901 7.135 1.985) 7.954 8.656 ( -5.624 -5.613 1.510) 8.088 8.656 ( 5.621 -5.612 1.510) 8.085 8.656 ( -5.621 5.612 1.510) 8.085 8.656 ( 5.624 5.613 1.510) 8.088 10.065 ( -1.448 -15.729 -6.266) 16.993 10.065 ( 1.071 -15.721 -6.266) 16.958 10.065 ( -1.071 15.721 -6.266) 16.958 10.065 ( 1.448 15.729 -6.266) 16.993 11.148 ( -3.271 -4.235 -3.533) 6.412 11.148 ( 3.130 -4.209 -3.533) 6.324 11.148 ( -3.130 4.209 -3.533) 6.324 11.148 ( 3.271 4.235 -3.533) 6.412 12.117 ( -3.133 -9.119 -1.672) 9.786 12.117 ( 0.010 -8.984 -1.672) 9.138 12.117 ( -0.010 8.984 -1.672) 9.138 12.117 ( 3.133 9.119 -1.672) 9.786 12.723 ( -15.428 -4.124 3.448) 16.337 12.723 ( -13.966 2.503 3.448) 14.601 12.723 ( 13.966 -2.503 3.448) 14.601 12.723 ( 15.428 4.124 3.448) 16.337 14.800 ( -7.184 -14.483 5.157) 16.969 14.800 ( 5.589 -14.306 5.157) 16.202 14.800 ( -5.589 14.306 5.157) 16.202 14.800 ( 7.184 14.483 5.157) 16.969 19.478 ( -2.937 -9.820 -2.310) 10.507 19.478 ( 2.887 -9.816 -2.310) 10.489 19.478 ( -2.887 9.816 -2.310) 10.489 19.478 ( 2.937 9.820 -2.310) 10.507 20.723 ( -8.383 -11.001 -4.663) 14.596 20.723 ( 3.766 -10.344 -4.663) 11.956 20.723 ( -3.766 10.344 -4.663) 11.956 20.723 ( 8.383 11.001 -4.663) 14.596 22.408 ( -9.231 -2.491 -3.422) 10.155 22.408 ( -9.216 2.477 -3.422) 10.138 22.408 ( 9.216 -2.477 -3.422) 10.138 22.408 ( 9.231 2.491 -3.422) 10.155 23.597 ( -6.530 -7.508 7.979) 12.754 23.597 ( 2.734 -6.898 7.979) 10.896 23.597 ( -2.734 6.898 7.979) 10.896 23.597 ( 6.530 7.508 7.979) 12.754 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 0.000 24.093) 24.093 1.605 ( 0.000 0.000 25.195) 25.195 2.073 ( 0.000 0.000 7.052) 7.052 2.302 ( 0.000 0.000 -2.460) 2.460 2.357 ( 0.000 0.000 12.456) 12.456 2.618 ( 0.000 0.000 19.203) 19.203 2.731 ( 0.000 0.000 -8.833) 8.833 2.810 ( 0.000 0.000 -6.557) 6.557 3.093 ( 0.000 0.000 0.492) 0.492 3.117 ( 0.000 0.000 -0.210) 0.210 3.165 ( 0.000 0.000 -13.362) 13.362 3.254 ( 0.000 0.000 -8.789) 8.789 3.580 ( 0.000 0.000 2.133) 2.133 3.680 ( 0.000 0.000 1.016) 1.016 3.961 ( 0.000 0.000 2.283) 2.283 4.202 ( 0.000 0.000 -4.457) 4.457 4.479 ( 0.000 0.000 -7.254) 7.254 4.583 ( 0.000 0.000 -1.090) 1.090 4.620 ( 0.000 0.000 -4.334) 4.334 4.656 ( 0.000 0.000 -2.233) 2.233 4.751 ( 0.000 0.000 -3.866) 3.866 4.803 ( 0.000 0.000 -10.474) 10.474 4.981 ( 0.000 0.000 3.014) 3.014 5.025 ( 0.000 0.000 10.980) 10.980 5.029 ( 0.000 0.000 -4.465) 4.465 5.390 ( 0.000 0.000 5.605) 5.605 5.817 ( 0.000 0.000 5.774) 5.774 6.036 ( 0.000 0.000 6.897) 6.897 6.068 ( 0.000 0.000 8.890) 8.890 6.194 ( 0.000 0.000 -11.353) 11.353 6.234 ( 0.000 0.000 -1.645) 1.645 6.266 ( 0.000 0.000 -0.008) 0.008 6.294 ( 0.000 0.000 5.639) 5.639 6.777 ( 0.000 0.000 -9.590) 9.590 7.020 ( 0.000 0.000 -5.355) 5.355 7.076 ( 0.000 0.000 -8.593) 8.593 7.108 ( 0.000 0.000 -8.718) 8.718 7.286 ( 0.000 0.000 -10.023) 10.023 7.928 ( 0.000 0.000 11.712) 11.712 8.136 ( 0.000 0.000 5.556) 5.556 8.230 ( 0.000 0.000 1.645) 1.645 8.373 ( 0.000 0.000 -3.306) 3.306 8.406 ( 0.000 0.000 -5.345) 5.345 8.498 ( 0.000 0.000 4.647) 4.647 8.773 ( 0.000 0.000 -0.342) 0.342 8.812 ( 0.000 0.000 -2.647) 2.647 8.817 ( 0.000 0.000 -1.205) 1.205 8.874 ( 0.000 0.000 -11.112) 11.112 9.097 ( 0.000 0.000 2.260) 2.260 9.223 ( 0.000 0.000 4.245) 4.245 10.453 ( 0.000 0.000 -4.662) 4.662 10.626 ( 0.000 0.000 -8.740) 8.740 10.831 ( 0.000 0.000 -1.009) 1.009 10.842 ( 0.000 0.000 -0.794) 0.794 11.445 ( 0.000 0.000 5.628) 5.628 11.580 ( 0.000 0.000 -6.207) 6.207 11.592 ( 0.000 0.000 -8.853) 8.853 11.680 ( 0.000 0.000 7.653) 7.653 11.898 ( 0.000 0.000 -3.950) 3.950 12.167 ( 0.000 0.000 -3.744) 3.744 12.180 ( 0.000 0.000 4.577) 4.577 12.568 ( 0.000 0.000 -3.980) 3.980 12.938 ( 0.000 0.000 11.483) 11.483 13.262 ( 0.000 0.000 2.919) 2.919 14.209 ( 0.000 0.000 14.714) 14.714 15.066 ( 0.000 0.000 -5.182) 5.182 15.692 ( 0.000 0.000 -0.584) 0.584 15.895 ( 0.000 0.000 -5.384) 5.384 18.622 ( 0.000 0.000 0.465) 0.465 18.650 ( 0.000 0.000 0.424) 0.424 18.665 ( 0.000 0.000 -0.482) 0.482 18.686 ( 0.000 0.000 -0.327) 0.327 20.484 ( 0.000 0.000 1.253) 1.253 20.575 ( 0.000 0.000 -0.108) 0.108 21.063 ( 0.000 0.000 -2.046) 2.046 21.257 ( 0.000 0.000 -3.744) 3.744 22.064 ( 0.000 0.000 0.996) 0.996 22.167 ( 0.000 0.000 -1.486) 1.486 22.600 ( 0.000 0.000 -0.745) 0.745 22.751 ( 0.000 0.000 -5.028) 5.028 23.525 ( 0.000 0.000 11.796) 11.796 23.677 ( 0.000 0.000 7.596) 7.596 23.848 ( 0.000 0.000 1.103) 1.103 24.473 ( 0.000 0.000 -12.083) 12.083 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 7.509 0.000 20.982) 22.285 1.776 ( 13.072 0.000 21.548) 25.203 1.987 ( -7.077 0.000 9.379) 11.750 2.290 ( -6.700 0.000 12.622) 14.290 2.355 ( 4.170 0.000 -3.258) 5.292 2.612 ( -6.721 0.000 -6.197) 9.142 2.657 ( 3.584 0.000 9.187) 9.861 2.913 ( -7.301 0.000 -7.494) 10.463 2.916 ( 5.629 0.000 -9.345) 10.909 3.127 ( -3.285 0.000 -12.642) 13.062 3.160 ( 1.281 0.000 2.761) 3.043 3.384 ( 6.725 0.000 4.817) 8.272 3.679 ( 1.808 0.000 0.945) 2.041 3.715 ( 7.437 0.000 -0.622) 7.463 4.023 ( 5.394 0.000 1.795) 5.685 4.245 ( 2.783 0.000 -1.910) 3.376 4.393 ( -5.653 0.000 -6.577) 8.673 4.519 ( -4.799 0.000 -3.207) 5.772 4.592 ( -4.703 0.000 1.473) 4.928 4.653 ( 2.656 0.000 -6.622) 7.135 4.792 ( -13.991 0.000 20.226) 24.594 4.798 ( 2.827 0.000 -6.683) 7.256 4.828 ( 1.480 0.000 -8.938) 9.060 4.944 ( -6.321 0.000 -3.173) 7.073 5.059 ( 3.282 0.000 -1.979) 3.833 5.304 ( -6.054 0.000 0.643) 6.088 5.848 ( 2.830 0.000 6.275) 6.884 6.037 ( -3.187 0.000 8.575) 9.148 6.046 ( 2.357 0.000 0.163) 2.363 6.187 ( -2.395 0.000 -0.020) 2.395 6.246 ( -0.743 0.000 1.467) 1.644 6.283 ( -1.044 0.000 4.847) 4.958 6.423 ( 13.482 0.000 -6.278) 14.872 6.776 ( -1.105 0.000 -9.429) 9.494 7.032 ( 0.897 0.000 -6.036) 6.102 7.069 ( -0.565 0.000 -8.206) 8.225 7.134 ( 2.172 0.000 -8.057) 8.345 7.259 ( -2.391 0.000 -8.626) 8.951 8.005 ( 6.530 0.000 10.935) 12.737 8.137 ( -0.677 0.000 2.854) 2.934 8.203 ( -2.304 0.000 1.446) 2.720 8.295 ( 0.850 0.000 -0.066) 0.852 8.389 ( -8.150 0.000 6.525) 10.440 8.451 ( -1.284 0.000 -3.673) 3.891 8.824 ( 3.027 0.000 -3.940) 4.969 8.851 ( 3.264 0.000 -2.056) 3.858 8.882 ( 0.381 0.000 -10.082) 10.089 8.896 ( 4.015 0.000 -6.325) 7.492 9.108 ( 1.173 0.000 3.446) 3.641 9.202 ( -1.770 0.000 4.429) 4.770 10.473 ( 1.785 0.000 -5.081) 5.386 10.594 ( -2.595 0.000 -7.874) 8.291 10.870 ( 3.050 0.000 -0.564) 3.102 10.903 ( 4.242 0.000 -2.001) 4.690 11.386 ( -1.950 0.000 0.402) 1.991 11.545 ( -4.038 0.000 -9.570) 10.387 11.680 ( 6.156 0.000 -2.905) 6.807 11.730 ( 4.272 0.000 6.592) 7.855 11.880 ( -1.883 0.000 -3.923) 4.352 12.010 ( -7.381 0.000 2.152) 7.688 12.327 ( 6.464 0.000 -1.088) 6.555 12.538 ( -2.667 0.000 -3.611) 4.489 12.954 ( 1.827 0.000 10.655) 10.811 13.185 ( -6.234 0.000 4.347) 7.600 14.301 ( 8.000 0.000 14.165) 16.268 14.875 ( -14.430 0.000 3.412) 14.827 15.742 ( 3.557 0.000 -4.304) 5.584 15.879 ( -1.637 0.000 -5.746) 5.974 18.626 ( 0.274 0.000 0.421) 0.502 18.644 ( -0.445 0.000 0.303) 0.538 18.671 ( 0.364 0.000 -0.333) 0.493 18.684 ( -0.187 0.000 -0.313) 0.364 20.501 ( 2.779 0.000 2.123) 3.497 20.648 ( 2.487 0.000 1.262) 2.789 21.014 ( -0.415 0.000 -3.278) 3.304 21.252 ( -2.815 0.000 -6.119) 6.735 22.103 ( 4.604 0.000 0.540) 4.636 22.240 ( 5.467 0.000 -3.683) 6.592 22.511 ( -7.136 0.000 -0.494) 7.153 22.648 ( -8.109 0.000 -4.613) 9.329 23.506 ( 0.263 0.000 11.046) 11.049 23.606 ( -2.882 0.000 8.235) 8.725 24.074 ( 13.330 0.000 -1.456) 13.409 24.450 ( -2.723 0.000 -9.944) 10.310 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -9.822 0.000 14.733) 17.706 1.792 ( 9.822 0.000 14.733) 17.706 2.073 ( -12.347 0.000 16.616) 20.701 2.073 ( 12.347 0.000 16.616) 20.701 2.469 ( -5.973 0.000 -4.536) 7.500 2.469 ( 5.973 0.000 -4.536) 7.500 2.762 ( -5.946 0.000 -7.049) 9.222 2.762 ( 5.946 0.000 -7.049) 9.222 3.033 ( -4.948 0.000 -11.236) 12.277 3.033 ( 4.948 0.000 -11.236) 12.277 3.320 ( -9.792 0.000 6.963) 12.015 3.320 ( 9.792 0.000 6.963) 12.015 3.782 ( -3.427 0.000 1.806) 3.874 3.782 ( 3.427 0.000 1.806) 3.874 4.176 ( -7.592 0.000 1.522) 7.743 4.176 ( 7.592 0.000 1.522) 7.743 4.402 ( -5.176 0.000 -6.284) 8.141 4.402 ( 5.176 0.000 -6.284) 8.141 4.542 ( -3.383 0.000 12.004) 12.471 4.542 ( 3.383 0.000 12.004) 12.471 4.785 ( -7.087 0.000 -3.775) 8.029 4.785 ( 7.087 0.000 -3.775) 8.029 4.840 ( -0.695 0.000 -8.307) 8.336 4.840 ( 0.695 0.000 -8.307) 8.336 5.165 ( -5.997 0.000 -1.943) 6.304 5.165 ( 5.997 0.000 -1.943) 6.304 5.938 ( -4.955 0.000 7.333) 8.851 5.938 ( 4.955 0.000 7.333) 8.851 6.119 ( -3.585 0.000 -0.039) 3.585 6.119 ( 3.585 0.000 -0.039) 3.585 6.254 ( -1.252 0.000 3.666) 3.874 6.254 ( 1.252 0.000 3.666) 3.874 6.678 ( -8.347 0.000 -7.911) 11.500 6.678 ( 8.347 0.000 -7.911) 11.500 7.053 ( -0.892 0.000 -7.244) 7.298 7.053 ( 0.892 0.000 -7.244) 7.298 7.194 ( -3.099 0.000 -7.167) 7.808 7.194 ( 3.099 0.000 -7.167) 7.808 8.147 ( -2.059 0.000 1.809) 2.741 8.147 ( 2.059 0.000 1.809) 2.741 8.188 ( -9.347 0.000 9.011) 12.983 8.188 ( 9.347 0.000 9.011) 12.983 8.376 ( -4.613 0.000 -1.394) 4.819 8.376 ( 4.613 0.000 -1.394) 4.819 8.874 ( -1.333 0.000 -8.027) 8.137 8.874 ( 1.333 0.000 -8.027) 8.137 8.918 ( -1.884 0.000 -5.130) 5.465 8.918 ( 1.884 0.000 -5.130) 5.465 9.152 ( -2.514 0.000 4.627) 5.266 9.152 ( 2.514 0.000 4.627) 5.266 10.528 ( -3.006 0.000 -6.274) 6.957 10.528 ( 3.006 0.000 -6.274) 6.957 10.936 ( -1.819 0.000 -0.742) 1.965 10.936 ( 1.819 0.000 -0.742) 1.965 11.430 ( -5.305 0.000 -6.976) 8.764 11.430 ( 5.305 0.000 -6.976) 8.764 11.806 ( -4.796 0.000 -3.283) 5.812 11.806 ( 4.796 0.000 -3.283) 5.812 11.854 ( -6.606 0.000 4.404) 7.940 11.854 ( 6.606 0.000 4.404) 7.940 12.454 ( -4.911 0.000 -2.593) 5.553 12.454 ( 4.911 0.000 -2.593) 5.553 13.038 ( -5.877 0.000 7.738) 9.716 13.038 ( 5.877 0.000 7.738) 9.716 14.546 ( -13.793 0.000 11.560) 17.996 14.546 ( 13.793 0.000 11.560) 17.996 15.822 ( -3.351 0.000 -6.115) 6.973 15.822 ( 3.351 0.000 -6.115) 6.973 18.634 ( -0.449 0.000 0.331) 0.558 18.634 ( 0.449 0.000 0.331) 0.558 18.679 ( -0.333 0.000 -0.292) 0.443 18.679 ( 0.333 0.000 -0.292) 0.443 20.599 ( -5.111 0.000 3.267) 6.066 20.599 ( 5.111 0.000 3.267) 6.066 21.120 ( -7.748 0.000 -6.469) 10.094 21.120 ( 7.748 0.000 -6.469) 10.094 22.257 ( -7.430 0.000 -2.394) 7.806 22.257 ( 7.430 0.000 -2.394) 7.806 22.461 ( -6.964 0.000 -2.960) 7.567 22.461 ( 6.964 0.000 -2.960) 7.567 23.547 ( -2.633 0.000 9.454) 9.814 23.547 ( 2.633 0.000 9.454) 9.814 24.326 ( -8.725 0.000 -5.675) 10.409 24.326 ( 8.725 0.000 -5.675) 10.409 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 11.019 22.184) 24.770 1.662 ( 0.000 5.901 22.803) 23.555 2.247 ( 0.000 15.239 6.018) 16.384 2.381 ( 0.000 3.324 11.518) 11.989 2.441 ( 0.000 12.243 -0.250) 12.245 2.672 ( 0.000 5.386 14.345) 15.323 2.847 ( 0.000 11.032 -7.664) 13.433 2.943 ( 0.000 11.466 -4.348) 12.263 3.058 ( 0.000 -1.996 1.839) 2.714 3.087 ( 0.000 -3.527 0.814) 3.620 3.213 ( 0.000 1.617 -11.905) 12.015 3.298 ( 0.000 7.635 -9.978) 12.564 3.553 ( 0.000 -1.738 2.226) 2.824 3.647 ( 0.000 -2.823 0.780) 2.928 3.949 ( 0.000 -1.544 2.560) 2.989 4.210 ( 0.000 -0.316 -5.192) 5.201 4.357 ( 0.000 -8.889 -6.078) 10.769 4.593 ( 0.000 -0.061 -1.393) 1.394 4.664 ( 0.000 1.141 -4.326) 4.473 4.693 ( 0.000 3.363 -3.058) 4.545 4.751 ( 0.000 -3.179 -2.977) 4.355 4.788 ( 0.000 3.279 -1.218) 3.498 4.958 ( 0.000 -1.855 2.880) 3.426 5.003 ( 0.000 -0.876 7.215) 7.268 5.079 ( 0.000 3.904 -8.811) 9.637 5.365 ( 0.000 -2.226 3.986) 4.565 5.750 ( 0.000 -4.581 2.037) 5.014 6.036 ( 0.000 -1.027 4.381) 4.500 6.075 ( 0.000 -1.935 0.299) 1.958 6.222 ( 0.000 5.448 -3.032) 6.235 6.300 ( 0.000 4.465 1.182) 4.619 6.324 ( 0.000 3.791 -0.310) 3.804 6.378 ( 0.000 9.329 4.889) 10.533 6.739 ( 0.000 -2.491 -8.603) 8.956 6.999 ( 0.000 -3.200 -9.469) 9.995 7.067 ( 0.000 2.992 -6.930) 7.549 7.220 ( 0.000 -4.276 -5.368) 6.863 7.220 ( 0.000 6.212 -6.938) 9.313 7.968 ( 0.000 1.999 8.515) 8.747 8.021 ( 0.000 -10.631 5.084) 11.784 8.158 ( 0.000 -5.713 2.475) 6.226 8.322 ( 0.000 -4.344 -2.969) 5.262 8.353 ( 0.000 -5.034 -4.420) 6.699 8.535 ( 0.000 2.628 4.648) 5.339 8.674 ( 0.000 -8.942 1.623) 9.088 8.699 ( 0.000 -6.720 -3.429) 7.544 8.808 ( 0.000 1.934 -1.519) 2.459 8.909 ( 0.000 -0.514 -8.022) 8.039 9.244 ( 0.000 10.658 -1.900) 10.826 9.299 ( 0.000 7.098 3.412) 7.876 10.478 ( 0.000 1.645 -5.874) 6.100 10.533 ( 0.000 -7.971 -7.345) 10.839 10.865 ( 0.000 2.453 -1.587) 2.921 10.866 ( 0.000 2.452 -0.982) 2.641 11.468 ( 0.000 0.409 0.519) 0.661 11.522 ( 0.000 -7.267 -2.554) 7.703 11.615 ( 0.000 3.736 -4.078) 5.531 11.654 ( 0.000 -0.810 2.257) 2.398 11.909 ( 0.000 3.712 -0.750) 3.787 12.169 ( 0.000 0.138 -3.656) 3.658 12.331 ( 0.000 11.195 0.873) 11.229 12.554 ( 0.000 -1.535 -3.846) 4.141 12.937 ( 0.000 0.381 11.316) 11.323 13.265 ( 0.000 0.329 3.406) 3.421 14.233 ( 0.000 2.457 14.006) 14.219 15.029 ( 0.000 -3.731 -4.488) 5.837 15.514 ( 0.000 -15.055 4.382) 15.680 15.797 ( 0.000 -9.375 -4.503) 10.400 18.729 ( 0.000 7.824 0.335) 7.831 18.748 ( 0.000 11.893 -0.208) 11.894 18.765 ( 0.000 8.594 -0.440) 8.605 18.936 ( 0.000 22.724 -7.605) 23.963 20.447 ( 0.000 -3.540 1.290) 3.767 20.549 ( 0.000 -2.598 -0.284) 2.614 21.054 ( 0.000 -0.967 -2.428) 2.613 21.223 ( 0.000 -3.481 -3.578) 4.992 22.068 ( 0.000 0.416 1.002) 1.085 22.166 ( 0.000 -0.133 -1.375) 1.381 22.600 ( 0.000 0.059 -0.821) 0.823 22.740 ( 0.000 -1.078 -4.881) 4.998 23.525 ( 0.000 0.018 11.590) 11.590 23.674 ( 0.000 -0.182 7.373) 7.375 23.807 ( 0.000 -3.915 2.821) 4.826 24.379 ( 0.000 -8.781 -9.234) 12.743 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 8.082 11.014 19.669) 23.948 1.819 ( 11.996 4.455 19.316) 23.170 2.148 ( -7.872 13.817 8.214) 17.898 2.312 ( -6.573 3.264 12.022) 14.085 2.488 ( 3.658 12.206 -0.306) 12.746 2.665 ( -0.864 4.946 1.560) 5.257 2.752 ( -4.818 7.886 -2.431) 9.555 2.908 ( -7.584 0.883 -7.079) 10.412 3.030 ( 5.918 9.240 -7.799) 13.462 3.148 ( 3.547 0.251 4.188) 5.494 3.229 ( -2.829 9.467 -11.956) 15.510 3.369 ( 5.895 -0.969 5.910) 8.403 3.606 ( 1.040 -6.218 -0.089) 6.305 3.667 ( 4.227 -3.299 -0.922) 5.441 4.030 ( 6.699 -0.159 2.212) 7.056 4.276 ( 4.117 1.083 -3.238) 5.348 4.325 ( -2.540 -5.777 -6.098) 8.775 4.513 ( -5.454 -0.415 -1.697) 5.727 4.611 ( -4.079 0.912 1.251) 4.363 4.676 ( -0.537 1.429 -4.521) 4.772 4.748 ( -4.173 -4.059 6.310) 8.585 4.785 ( -2.509 0.826 3.265) 4.200 4.868 ( -1.188 4.871 -3.635) 6.193 4.943 ( -4.155 -0.796 -1.703) 4.560 5.107 ( 2.448 4.203 -6.489) 8.110 5.295 ( -4.941 -0.687 0.162) 4.991 5.797 ( 3.659 -3.849 2.100) 5.711 5.972 ( -2.618 -3.424 1.059) 4.439 6.145 ( 1.449 4.412 5.765) 7.403 6.240 ( -1.219 2.781 -1.516) 3.393 6.296 ( 0.425 4.634 2.240) 5.165 6.332 ( -0.336 6.457 1.149) 6.567 6.433 ( 7.870 2.296 -0.773) 8.235 6.718 ( -2.130 -4.038 -7.789) 9.029 7.019 ( 1.564 -2.919 -8.556) 9.175 7.076 ( 0.205 1.738 -7.809) 8.003 7.215 ( 0.345 2.262 -5.191) 5.673 7.233 ( 0.059 2.295 -6.988) 7.356 8.002 ( 2.933 -2.477 7.539) 8.460 8.030 ( 0.313 -10.335 3.198) 10.823 8.140 ( -1.275 -4.417 2.832) 5.400 8.239 ( -2.356 -2.859 0.503) 3.738 8.390 ( -0.732 -3.320 -1.884) 3.887 8.474 ( -3.321 3.408 3.484) 5.897 8.713 ( 2.169 -8.947 -1.191) 9.282 8.739 ( 1.956 -8.912 -3.495) 9.771 8.831 ( 2.168 0.437 -2.884) 3.634 8.913 ( -0.110 -1.348 -6.895) 7.026 9.262 ( 1.217 10.331 -1.667) 10.535 9.294 ( -0.451 7.847 2.810) 8.347 10.496 ( 1.518 1.328 -6.270) 6.586 10.547 ( 0.542 -4.959 -8.082) 9.497 10.887 ( 2.069 1.595 -1.007) 2.799 10.903 ( 2.678 0.430 -1.597) 3.148 11.370 ( -3.666 -1.592 0.506) 4.028 11.497 ( -4.518 -6.070 -6.696) 10.104 11.657 ( 2.161 0.414 -1.071) 2.447 11.687 ( 1.679 -2.126 1.353) 3.028 11.949 ( 4.737 9.299 -0.016) 10.436 12.182 ( -0.465 9.057 -2.250) 9.344 12.352 ( 2.272 4.008 -0.993) 4.713 12.516 ( -3.155 -2.284 -3.619) 5.316 12.945 ( 1.341 -0.702 10.748) 10.854 13.181 ( -6.701 -0.297 4.693) 8.187 14.323 ( 7.711 2.298 13.477) 15.696 14.849 ( -13.117 -2.310 4.023) 13.913 15.595 ( 5.305 -13.051 -1.260) 14.144 15.774 ( -2.142 -9.892 -4.631) 11.130 18.729 ( -0.011 7.948 0.339) 7.956 18.737 ( -0.489 9.418 0.148) 9.432 18.789 ( 1.703 11.857 -1.150) 12.034 18.899 ( -2.795 20.097 -5.459) 21.011 20.473 ( 3.131 -2.752 1.996) 4.622 20.619 ( 2.723 -2.768 0.945) 3.996 20.995 ( -1.187 -1.988 -3.166) 3.922 21.218 ( -2.865 -3.452 -6.038) 7.522 22.110 ( 4.708 0.676 0.472) 4.780 22.238 ( 5.516 -0.210 -3.441) 6.505 22.511 ( -7.231 0.008 -0.610) 7.257 22.638 ( -8.038 -1.014 -4.471) 9.254 23.513 ( 0.528 0.687 10.823) 10.857 23.606 ( -2.529 0.029 8.119) 8.504 24.022 ( 12.382 -5.016 0.149) 13.360 24.360 ( -2.242 -8.404 -7.417) 11.431 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -10.637 12.221 13.636) 21.176 1.936 ( 10.637 12.221 13.636) 21.176 2.100 ( -12.014 3.090 15.161) 19.590 2.100 ( 12.014 3.090 15.161) 19.590 2.587 ( -5.005 11.356 -2.715) 12.704 2.587 ( 5.005 11.356 -2.715) 12.704 2.759 ( -4.797 -0.299 -7.734) 9.106 2.759 ( 4.797 -0.299 -7.734) 9.106 3.143 ( -4.133 10.245 -9.747) 14.733 3.143 ( 4.133 10.245 -9.747) 14.733 3.313 ( -8.403 -0.673 6.693) 10.764 3.313 ( 8.403 -0.673 6.693) 10.764 3.695 ( -3.535 -6.274 1.016) 7.273 3.695 ( 3.535 -6.274 1.016) 7.273 4.192 ( -6.827 -0.335 0.549) 6.858 4.192 ( 6.827 -0.335 0.549) 6.858 4.401 ( -4.754 -0.212 -3.773) 6.073 4.401 ( 4.754 -0.212 -3.773) 6.073 4.568 ( -2.704 2.154 9.787) 10.380 4.568 ( 2.704 2.154 9.787) 10.380 4.751 ( -3.752 -1.425 -2.634) 4.801 4.751 ( 3.752 -1.425 -2.634) 4.801 4.874 ( -0.812 2.412 -6.480) 6.962 4.874 ( 0.812 2.412 -6.480) 6.962 5.186 ( -4.523 2.124 -3.442) 6.067 5.186 ( 4.523 2.124 -3.442) 6.067 5.892 ( -4.540 -3.651 2.348) 6.281 5.892 ( 4.540 -3.651 2.348) 6.281 6.184 ( -2.601 4.560 2.316) 5.738 6.184 ( 2.601 4.560 2.316) 5.738 6.313 ( -0.963 6.286 2.758) 6.932 6.313 ( 0.963 6.286 2.758) 6.932 6.623 ( -6.956 -4.031 -6.003) 10.034 6.623 ( 6.956 -4.031 -6.003) 10.034 7.058 ( -1.681 -1.319 -7.646) 7.939 7.058 ( 1.681 -1.319 -7.646) 7.939 7.226 ( -0.507 3.835 -6.033) 7.167 7.226 ( 0.507 3.835 -6.033) 7.167 8.040 ( -0.900 -9.735 2.629) 10.124 8.040 ( 0.900 -9.735 2.629) 10.124 8.167 ( -4.286 -2.242 4.796) 6.811 8.167 ( 4.286 -2.242 4.796) 6.811 8.405 ( -2.806 2.421 0.801) 3.792 8.405 ( 2.806 2.421 0.801) 3.792 8.749 ( -0.887 -9.584 -3.212) 10.146 8.749 ( 0.887 -9.584 -3.212) 10.146 8.887 ( -2.260 -1.836 -4.912) 5.711 8.887 ( 2.260 -1.836 -4.912) 5.711 9.282 ( -0.612 9.274 0.625) 9.315 9.282 ( 0.612 9.274 0.625) 9.315 10.534 ( -1.554 -0.347 -7.395) 7.564 10.534 ( 1.554 -0.347 -7.395) 7.564 10.931 ( -0.995 -0.358 -1.193) 1.595 10.931 ( 0.995 -0.358 -1.193) 1.595 11.380 ( -4.437 -4.608 -3.984) 7.536 11.380 ( 4.437 -4.608 -3.984) 7.536 11.690 ( -0.928 -2.137 -0.363) 2.358 11.690 ( 0.928 -2.137 -0.363) 2.358 12.096 ( -6.788 14.695 -0.126) 16.187 12.096 ( 6.788 14.695 -0.126) 16.187 12.432 ( -4.236 -2.321 -3.143) 5.763 12.432 ( 4.236 -2.321 -3.143) 5.763 13.025 ( -6.076 -1.290 7.988) 10.118 13.025 ( 6.076 -1.290 7.988) 10.118 14.552 ( -12.593 0.830 11.149) 16.840 14.552 ( 12.593 0.830 11.149) 16.840 15.703 ( -4.193 -11.045 -4.361) 12.593 15.703 ( 4.193 -11.045 -4.361) 12.593 18.730 ( -0.178 8.344 0.327) 8.352 18.730 ( 0.178 8.344 0.327) 8.352 18.836 ( -2.581 15.555 -2.674) 15.993 18.836 ( 2.581 15.555 -2.674) 15.993 20.575 ( -5.141 -2.281 3.040) 6.393 20.575 ( 5.141 -2.281 3.040) 6.393 21.087 ( -7.486 -3.336 -6.358) 10.373 21.087 ( 7.486 -3.336 -6.358) 10.373 22.264 ( -7.341 0.706 -2.352) 7.741 22.264 ( 7.341 0.706 -2.352) 7.741 22.452 ( -6.886 -0.898 -2.879) 7.518 22.452 ( 6.886 -0.898 -2.879) 7.518 23.553 ( -2.413 0.728 9.266) 9.603 23.553 ( 2.413 0.728 9.266) 9.603 24.253 ( -7.816 -7.028 -3.749) 11.159 24.253 ( 7.816 -7.028 -3.749) 11.159 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 11.129 17.753) 20.953 1.871 ( 0.000 13.302 18.951) 23.153 2.432 ( 0.000 5.574 8.084) 9.819 2.631 ( 0.000 17.072 5.479) 17.930 2.686 ( 0.000 10.031 2.857) 10.430 2.754 ( 0.000 -0.571 3.300) 3.349 2.961 ( 0.000 -6.566 -2.266) 6.946 3.045 ( 0.000 7.411 5.792) 9.406 3.097 ( 0.000 7.626 0.280) 7.631 3.242 ( 0.000 13.064 -1.271) 13.126 3.246 ( 0.000 4.320 -8.466) 9.504 3.501 ( 0.000 9.487 -5.491) 10.961 3.569 ( 0.000 5.307 1.317) 5.467 3.640 ( 0.000 5.819 -5.346) 7.901 3.890 ( 0.000 -4.312 4.384) 6.149 4.164 ( 0.000 -4.181 -5.307) 6.757 4.191 ( 0.000 -7.499 -6.265) 9.772 4.524 ( 0.000 -6.990 1.365) 7.122 4.615 ( 0.000 -5.706 -1.838) 5.995 4.695 ( 0.000 -3.177 0.096) 3.178 4.758 ( 0.000 1.610 0.971) 1.880 4.838 ( 0.000 0.926 8.540) 8.590 4.963 ( 0.000 2.596 1.007) 2.784 5.070 ( 0.000 7.771 -6.966) 10.436 5.175 ( 0.000 7.091 -11.668) 13.654 5.318 ( 0.000 -1.836 2.311) 2.951 5.688 ( 0.000 -1.265 -3.682) 3.894 5.994 ( 0.000 -5.622 -5.539) 7.892 6.018 ( 0.000 0.171 0.783) 0.802 6.321 ( 0.000 0.368 -4.512) 4.527 6.381 ( 0.000 3.749 0.779) 3.829 6.384 ( 0.000 3.835 0.858) 3.930 6.591 ( 0.000 10.107 3.155) 10.588 6.757 ( 0.000 5.315 -4.114) 6.721 6.952 ( 0.000 -1.873 -7.407) 7.641 7.029 ( 0.000 -3.806 -2.278) 4.436 7.250 ( 0.000 4.758 -4.544) 6.579 7.313 ( 0.000 2.535 -5.081) 5.678 7.763 ( 0.000 -14.328 3.951) 14.863 7.843 ( 0.000 -13.407 0.814) 13.432 8.151 ( 0.000 2.812 5.060) 5.789 8.236 ( 0.000 -5.973 -2.650) 6.535 8.258 ( 0.000 0.248 -0.187) 0.311 8.500 ( 0.000 -8.542 2.245) 8.832 8.509 ( 0.000 -5.671 1.211) 5.798 8.666 ( 0.000 3.612 0.081) 3.612 8.849 ( 0.000 1.846 -0.268) 1.866 8.851 ( 0.000 -4.954 -4.799) 6.897 9.453 ( 0.000 10.468 -4.812) 11.521 9.470 ( 0.000 9.957 1.034) 10.010 10.349 ( 0.000 -10.286 -6.118) 11.968 10.462 ( 0.000 -4.644 -7.434) 8.765 10.914 ( 0.000 2.760 -1.569) 3.175 10.941 ( 0.000 5.168 -1.884) 5.500 11.341 ( 0.000 -9.275 1.687) 9.427 11.424 ( 0.000 -4.227 -4.968) 6.523 11.681 ( 0.000 3.313 -2.359) 4.067 11.747 ( 0.000 8.385 0.854) 8.428 12.019 ( 0.000 6.312 -0.978) 6.388 12.169 ( 0.000 -0.144 -3.652) 3.655 12.498 ( 0.000 3.738 0.647) 3.793 12.504 ( 0.000 -3.536 -2.401) 4.274 12.995 ( 0.000 6.545 8.100) 10.414 13.280 ( 0.000 1.200 4.118) 4.289 14.307 ( 0.000 5.034 11.953) 12.969 14.925 ( 0.000 -6.703 -2.496) 7.152 15.224 ( 0.000 -12.446 8.719) 15.196 15.562 ( 0.000 -13.669 -2.517) 13.899 18.940 ( 0.000 13.183 -0.072) 13.183 18.987 ( 0.000 13.145 -0.284) 13.148 19.038 ( 0.000 16.097 -1.332) 16.152 19.393 ( 0.000 20.187 -15.057) 25.183 20.361 ( 0.000 -4.489 0.874) 4.574 20.480 ( 0.000 -4.130 -0.875) 4.222 21.023 ( 0.000 -2.212 -3.450) 4.098 21.125 ( 0.000 -6.229 -3.215) 7.009 22.080 ( 0.000 0.853 0.923) 1.257 22.160 ( 0.000 -0.471 -1.056) 1.156 22.604 ( 0.000 0.356 -1.087) 1.144 22.711 ( 0.000 -1.792 -4.362) 4.716 23.526 ( 0.000 0.085 11.218) 11.219 23.678 ( 0.000 0.904 6.507) 6.570 23.711 ( 0.000 -5.319 6.452) 8.362 24.173 ( 0.000 -11.136 -4.373) 11.964 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 9.445 9.799 16.133) 21.107 1.965 ( 7.509 11.214 15.534) 20.577 2.351 ( -6.970 6.894 7.418) 12.294 2.493 ( -10.084 12.541 8.988) 18.432 2.689 ( -0.738 -1.732 -1.490) 2.401 2.771 ( 2.467 11.404 0.519) 11.679 2.902 ( -7.066 0.689 -5.588) 9.035 2.974 ( -6.018 9.048 -0.755) 10.893 3.090 ( 5.657 0.356 2.962) 6.396 3.283 ( 2.841 4.687 4.210) 6.911 3.416 ( 1.241 9.872 1.842) 10.119 3.439 ( 4.042 9.543 -7.169) 12.602 3.562 ( -3.215 7.043 -3.182) 8.371 3.646 ( 3.111 2.558 -3.911) 5.614 3.993 ( 7.258 -3.603 3.697) 8.907 4.194 ( -0.158 -6.582 -4.978) 8.254 4.257 ( 5.862 -3.066 -5.806) 8.802 4.467 ( -4.126 -5.003 0.178) 6.487 4.585 ( -1.773 -4.445 0.499) 4.812 4.665 ( -2.704 -2.636 0.649) 3.832 4.716 ( -2.345 0.689 6.953) 7.370 4.810 ( -2.448 0.935 7.136) 7.602 4.967 ( -0.249 4.788 -1.569) 5.044 5.025 ( -2.768 9.089 -7.420) 12.055 5.199 ( 1.744 5.730 -10.189) 11.819 5.286 ( -2.149 0.561 -0.837) 2.373 5.735 ( 3.540 -2.033 -3.413) 5.321 5.900 ( -3.763 -4.050 -2.658) 6.134 6.149 ( 5.549 -1.841 -1.739) 6.099 6.279 ( -2.014 0.073 -3.675) 4.191 6.403 ( 2.001 4.491 -0.258) 4.923 6.459 ( 5.154 5.064 1.586) 7.397 6.559 ( -2.824 8.826 2.282) 9.544 6.703 ( -4.188 4.263 -2.383) 6.434 6.963 ( 1.136 -2.769 -6.922) 7.542 7.027 ( -0.598 -3.841 -3.143) 4.999 7.266 ( 1.547 3.373 -4.604) 5.913 7.324 ( 0.327 3.239 -5.196) 6.131 7.770 ( 0.622 -14.934 2.528) 15.159 7.825 ( -1.386 -13.645 0.570) 13.727 8.104 ( -1.430 -0.604 2.919) 3.306 8.210 ( -3.756 -0.926 0.964) 3.987 8.331 ( 6.016 -0.245 0.714) 6.063 8.482 ( -0.168 -4.770 2.530) 5.402 8.555 ( 1.806 -7.385 -0.890) 7.654 8.639 ( -2.552 1.288 0.782) 2.964 8.831 ( -0.259 -1.939 -3.136) 3.695 8.857 ( -0.355 -2.569 -2.269) 3.446 9.458 ( 0.422 9.840 -2.969) 10.287 9.474 ( 0.112 10.248 -0.835) 10.282 10.395 ( 3.481 -9.925 -7.160) 12.724 10.471 ( 0.483 -5.504 -7.689) 9.468 10.925 ( 0.855 2.277 -1.687) 2.960 10.943 ( 0.144 3.871 -1.794) 4.269 11.299 ( -2.630 -6.159 0.778) 6.742 11.364 ( -4.372 -5.297 -3.403) 7.665 11.703 ( 1.461 4.040 -2.484) 4.963 11.737 ( -0.469 6.304 -0.595) 6.350 12.145 ( 9.784 9.328 -0.737) 13.538 12.240 ( 5.497 -1.171 -3.072) 6.405 12.444 ( -3.325 -3.561 -1.408) 5.071 12.516 ( -1.389 7.690 -2.036) 8.076 12.946 ( -2.553 1.737 9.727) 10.205 13.177 ( -8.223 -0.076 5.052) 9.651 14.395 ( 7.271 5.108 11.460) 14.502 14.804 ( -8.809 -1.715 4.559) 10.066 15.311 ( 5.927 -14.457 2.468) 15.818 15.529 ( -2.883 -14.073 -2.382) 14.562 18.941 ( 0.052 13.102 0.025) 13.102 18.964 ( -1.188 13.229 0.051) 13.282 19.089 ( 3.686 16.451 -2.636) 17.064 19.319 ( -5.634 19.394 -11.246) 23.116 20.406 ( 4.150 -3.369 1.260) 5.492 20.550 ( 3.575 -3.853 -0.115) 5.258 20.935 ( -3.330 -3.995 -2.825) 5.919 21.119 ( -3.203 -6.456 -5.841) 9.277 22.129 ( 4.978 1.250 0.232) 5.137 22.231 ( 5.622 -0.589 -2.776) 6.298 22.513 ( -7.421 0.299 -0.988) 7.493 22.611 ( -7.851 -1.635 -4.030) 8.975 23.534 ( 1.455 1.439 10.344) 10.544 23.613 ( -1.573 0.895 7.656) 7.867 23.898 ( 9.822 -6.942 3.576) 12.548 24.159 ( -1.653 -11.085 -2.824) 11.557 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -8.386 8.848 10.470) 16.069 2.158 ( 8.386 8.848 10.470) 16.069 2.217 ( -12.949 9.046 12.124) 19.912 2.217 ( 12.949 9.046 12.124) 19.912 2.733 ( -4.879 -2.799 -6.717) 8.761 2.733 ( 4.879 -2.799 -6.717) 8.761 2.861 ( -3.929 13.200 -0.672) 13.789 2.861 ( 3.929 13.200 -0.672) 13.789 3.234 ( -5.854 -3.161 6.241) 9.122 3.234 ( 5.854 -3.161 6.241) 9.122 3.434 ( -3.305 15.010 -4.367) 15.978 3.434 ( 3.305 15.010 -4.367) 15.978 3.648 ( -4.578 3.074 -2.380) 6.006 3.648 ( 4.578 3.074 -2.380) 6.006 4.132 ( -4.809 -5.274 0.422) 7.150 4.132 ( 4.809 -5.274 0.422) 7.150 4.377 ( -4.607 -2.436 -3.758) 6.425 4.377 ( 4.607 -2.436 -3.758) 6.425 4.587 ( -2.711 -1.811 4.549) 5.596 4.587 ( 2.711 -1.811 4.549) 5.596 4.734 ( -3.624 0.503 5.415) 6.535 4.734 ( 3.624 0.503 5.415) 6.535 4.974 ( -1.534 7.318 -5.100) 9.051 4.974 ( 1.534 7.318 -5.100) 9.051 5.242 ( -1.954 3.918 -6.096) 7.505 5.242 ( 1.954 3.918 -6.096) 7.505 5.819 ( -3.779 -3.591 -2.873) 5.953 5.819 ( 3.779 -3.591 -2.873) 5.953 6.232 ( -2.569 0.305 -1.901) 3.210 6.232 ( 2.569 0.305 -1.901) 3.210 6.473 ( -3.869 6.805 0.279) 7.833 6.473 ( 3.869 6.805 0.279) 7.833 6.592 ( -5.719 3.065 -0.181) 6.491 6.592 ( 5.719 3.065 -0.181) 6.491 6.998 ( -1.784 -3.595 -4.842) 6.289 6.998 ( 1.784 -3.595 -4.842) 6.289 7.308 ( -1.733 3.148 -4.756) 5.961 7.308 ( 1.733 3.148 -4.756) 5.961 7.792 ( -1.411 -14.845 0.544) 14.922 7.792 ( 1.411 -14.845 0.544) 14.922 8.125 ( -3.107 -1.263 2.515) 4.192 8.125 ( 3.107 -1.263 2.515) 4.192 8.452 ( -3.834 1.231 1.691) 4.367 8.452 ( 3.834 1.231 1.691) 4.367 8.582 ( -1.463 -5.899 -0.161) 6.079 8.582 ( 1.463 -5.899 -0.161) 6.079 8.841 ( -0.892 -2.864 -2.771) 4.083 8.841 ( 0.892 -2.864 -2.771) 4.083 9.469 ( -0.511 9.930 -1.825) 10.110 9.469 ( 0.511 9.930 -1.825) 10.110 10.461 ( -1.797 -7.893 -8.053) 11.418 10.461 ( 1.797 -7.893 -8.053) 11.418 10.942 ( -0.416 1.932 -1.769) 2.653 10.942 ( 0.416 1.932 -1.769) 2.653 11.283 ( -1.861 -4.774 -1.174) 5.257 11.283 ( 1.861 -4.774 -1.174) 5.257 11.728 ( -0.635 5.265 -1.939) 5.647 11.728 ( 0.635 5.265 -1.939) 5.647 12.349 ( -5.750 -1.809 -2.538) 6.541 12.349 ( 5.750 -1.809 -2.538) 6.541 12.393 ( -8.997 10.665 -1.263) 14.010 12.393 ( 8.997 10.665 -1.263) 14.010 12.989 ( -6.834 -2.450 8.171) 10.930 12.989 ( 6.834 -2.450 8.171) 10.930 14.591 ( -9.842 3.494 9.676) 14.237 14.591 ( 9.842 3.494 9.676) 14.237 15.439 ( -5.183 -14.840 -1.399) 15.781 15.439 ( 5.183 -14.840 -1.399) 15.781 18.946 ( -0.477 13.055 0.160) 13.064 18.946 ( 0.477 13.055 0.160) 13.064 19.190 ( -5.455 17.858 -5.886) 19.578 19.190 ( 5.455 17.858 -5.886) 19.578 20.522 ( -5.225 -2.481 2.161) 6.174 20.522 ( 5.225 -2.481 2.161) 6.174 20.989 ( -6.807 -6.602 -5.995) 11.219 20.989 ( 6.807 -6.602 -5.995) 11.219 22.284 ( -7.113 1.358 -2.257) 7.585 22.284 ( 7.113 1.358 -2.257) 7.585 22.427 ( -6.720 -1.562 -2.665) 7.396 22.427 ( 6.720 -1.562 -2.665) 7.396 23.578 ( -1.949 1.949 8.701) 9.127 23.578 ( 1.949 1.949 8.701) 9.127 24.079 ( -5.979 -9.926 0.270) 11.591 24.079 ( 5.979 -9.926 0.270) 11.591 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 13.213 12.515) 18.199 2.137 ( 0.000 13.632 14.659) 20.018 2.524 ( 0.000 -0.461 5.262) 5.282 2.664 ( 0.000 -0.574 4.135) 4.175 2.678 ( 0.000 -10.144 5.516) 11.546 2.913 ( 0.000 -0.261 -2.962) 2.974 2.913 ( 0.000 9.151 2.226) 9.418 3.067 ( 0.000 -5.100 3.322) 6.086 3.271 ( 0.000 12.155 0.813) 12.182 3.398 ( 0.000 7.038 -2.682) 7.531 3.437 ( 0.000 8.634 2.943) 9.122 3.659 ( 0.000 2.711 -1.534) 3.115 3.758 ( 0.000 9.440 -3.251) 9.984 3.786 ( 0.000 5.240 1.336) 5.408 3.892 ( 0.000 7.779 -4.780) 9.130 4.084 ( 0.000 -1.742 -2.172) 2.784 4.086 ( 0.000 -0.650 -4.899) 4.942 4.352 ( 0.000 -9.833 3.618) 10.478 4.468 ( 0.000 -8.742 -0.321) 8.747 4.538 ( 0.000 -11.318 -1.441) 11.409 4.845 ( 0.000 6.535 4.465) 7.915 4.854 ( 0.000 1.619 6.876) 7.064 4.976 ( 0.000 -1.715 0.912) 1.943 5.129 ( 0.000 -4.113 -0.176) 4.117 5.372 ( 0.000 11.170 -11.439) 15.989 5.399 ( 0.000 9.895 -8.038) 12.748 5.694 ( 0.000 1.243 -7.727) 7.827 5.865 ( 0.000 -7.219 -6.313) 9.590 6.077 ( 0.000 6.355 -3.037) 7.043 6.293 ( 0.000 -0.914 -9.679) 9.722 6.411 ( 0.000 -2.211 0.839) 2.365 6.424 ( 0.000 -0.208 -2.040) 2.051 6.725 ( 0.000 4.313 -0.994) 4.426 6.876 ( 0.000 1.337 -7.495) 7.613 6.954 ( 0.000 5.684 2.509) 6.213 7.036 ( 0.000 4.205 4.354) 6.053 7.278 ( 0.000 -6.740 -2.760) 7.283 7.280 ( 0.000 -3.757 -4.308) 5.717 7.541 ( 0.000 -6.070 2.207) 6.459 7.585 ( 0.000 -9.774 -0.937) 9.818 8.151 ( 0.000 -2.002 -1.063) 2.267 8.167 ( 0.000 0.590 0.486) 0.765 8.342 ( 0.000 -5.468 2.290) 5.928 8.371 ( 0.000 7.260 3.991) 8.285 8.388 ( 0.000 -6.027 0.871) 6.090 8.704 ( 0.000 -5.684 -1.325) 5.836 8.778 ( 0.000 2.893 1.525) 3.270 8.870 ( 0.000 0.138 0.861) 0.872 9.659 ( 0.000 10.636 -5.708) 12.071 9.688 ( 0.000 12.149 -1.525) 12.244 10.139 ( 0.000 -10.782 -5.647) 12.171 10.283 ( 0.000 -12.728 -6.371) 14.233 10.979 ( 0.000 3.873 -1.172) 4.046 11.061 ( 0.000 6.599 -3.464) 7.453 11.186 ( 0.000 -6.521 1.608) 6.716 11.322 ( 0.000 -5.912 -5.093) 7.803 11.775 ( 0.000 5.891 -4.073) 7.162 11.889 ( 0.000 4.492 -0.953) 4.592 12.130 ( 0.000 4.677 -2.119) 5.135 12.168 ( 0.000 0.497 -3.855) 3.887 12.429 ( 0.000 -3.469 1.981) 3.995 12.480 ( 0.000 -3.995 5.120) 6.494 13.162 ( 0.000 8.458 3.366) 9.103 13.302 ( 0.000 0.593 4.005) 4.049 14.431 ( 0.000 7.537 8.651) 11.474 14.772 ( 0.000 -8.596 0.583) 8.616 15.067 ( 0.000 -3.132 7.598) 8.218 15.296 ( 0.000 -12.543 0.174) 12.544 19.222 ( 0.000 14.688 -1.396) 14.754 19.241 ( 0.000 11.519 -0.369) 11.525 19.316 ( 0.000 10.595 -1.647) 10.723 19.621 ( 0.000 1.619 -11.636) 11.748 20.319 ( 0.000 0.995 -2.755) 2.929 20.403 ( 0.000 -3.166 -2.245) 3.882 20.970 ( 0.000 -2.921 -4.523) 5.384 20.998 ( 0.000 -5.839 -3.196) 6.657 22.101 ( 0.000 1.184 0.603) 1.328 22.147 ( 0.000 -0.930 -0.557) 1.084 22.616 ( 0.000 0.896 -1.621) 1.852 22.673 ( 0.000 -1.902 -3.464) 3.952 23.531 ( 0.000 0.591 10.953) 10.969 23.616 ( 0.000 -4.093 9.286) 10.148 23.718 ( 0.000 3.358 4.804) 5.861 23.968 ( 0.000 -9.336 -0.558) 9.353 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 6.082 10.839 9.775) 15.812 2.206 ( 5.998 12.719 12.668) 18.927 2.490 ( -3.602 4.828 3.756) 7.099 2.584 ( -3.433 -3.382 1.090) 4.941 2.673 ( -6.349 1.736 6.097) 8.972 2.791 ( -3.878 -6.166 2.308) 7.642 2.881 ( -7.014 -0.384 0.482) 7.041 2.962 ( -4.746 -8.295 -1.351) 9.652 3.297 ( 2.724 14.853 2.412) 15.292 3.380 ( -0.216 8.880 6.860) 11.223 3.584 ( 8.503 6.123 -1.292) 10.557 3.655 ( 1.219 4.950 -0.652) 5.139 3.782 ( 1.222 9.557 -4.185) 10.505 3.786 ( -1.676 12.374 -5.810) 13.772 3.940 ( 4.773 0.300 3.880) 6.158 4.085 ( 0.183 -2.609 -2.190) 3.411 4.193 ( 6.181 -2.664 -6.057) 9.055 4.340 ( -0.849 -6.781 0.925) 6.896 4.448 ( -0.775 -8.911 0.875) 8.988 4.523 ( -1.435 -10.083 -1.510) 10.296 4.803 ( -1.622 6.357 6.935) 9.547 4.857 ( -1.165 4.272 6.081) 7.522 5.001 ( 1.598 -1.913 0.683) 2.584 5.100 ( -2.389 -3.134 0.101) 3.942 5.375 ( 0.595 11.589 -10.459) 15.622 5.405 ( 0.189 10.654 -9.069) 13.993 5.714 ( 1.389 -0.679 -7.535) 7.692 5.805 ( -3.724 -5.741 -5.868) 9.014 6.147 ( 4.905 2.535 -3.973) 6.802 6.268 ( -1.001 0.182 -8.184) 8.247 6.427 ( 1.905 -2.090 0.488) 2.870 6.500 ( 3.438 -1.675 -3.648) 5.285 6.706 ( -1.144 6.236 -0.695) 6.378 6.859 ( -3.884 9.371 -0.706) 10.169 6.914 ( 0.198 -1.698 -1.875) 2.537 7.024 ( -1.551 3.381 3.597) 5.174 7.275 ( 1.169 -3.311 -2.615) 4.378 7.319 ( 2.162 -4.953 -4.403) 6.971 7.507 ( -2.479 -9.252 1.741) 9.736 7.557 ( -2.542 -11.179 -1.528) 11.566 8.112 ( -0.481 1.862 1.189) 2.261 8.195 ( -0.982 0.536 -0.370) 1.178 8.330 ( 0.797 -4.975 1.902) 5.385 8.391 ( 1.079 -4.401 1.220) 4.693 8.458 ( 4.986 2.638 2.190) 6.051 8.710 ( -1.786 1.547 0.773) 2.486 8.734 ( -1.285 -3.464 0.253) 3.703 8.840 ( -2.539 -1.058 0.643) 2.825 9.664 ( 0.648 11.318 -4.443) 12.176 9.695 ( 0.162 12.405 -2.908) 12.742 10.172 ( 2.759 -12.248 -6.074) 13.947 10.276 ( -0.819 -13.346 -6.541) 14.885 10.984 ( 0.541 3.744 -1.489) 4.066 11.041 ( -1.579 5.670 -3.010) 6.611 11.176 ( -0.455 -5.774 0.616) 5.825 11.266 ( -4.015 -5.211 -3.720) 7.558 11.817 ( 3.088 7.040 -3.957) 8.646 11.880 ( -0.082 7.086 -1.640) 7.273 12.185 ( 1.976 -3.775 -3.940) 5.804 12.240 ( 3.764 -2.142 -5.850) 7.279 12.416 ( 4.104 3.659 6.367) 8.413 12.585 ( 7.356 -0.830 3.312) 8.110 13.031 ( -10.312 5.936 5.159) 12.969 13.171 ( -10.550 -0.824 4.585) 11.532 14.525 ( 7.403 8.043 8.297) 13.723 14.790 ( -0.335 -0.550 2.937) 3.007 15.065 ( 1.141 -9.189 5.270) 10.655 15.254 ( -3.660 -13.201 0.326) 13.703 19.216 ( -0.368 13.828 -0.972) 13.867 19.226 ( -0.833 12.824 -0.501) 12.861 19.357 ( 3.239 9.096 -2.776) 10.046 19.559 ( -4.776 3.464 -9.301) 11.015 20.380 ( 5.253 1.508 -1.586) 5.690 20.489 ( 6.019 -1.971 -2.588) 6.842 20.851 ( -6.536 -3.745 -2.388) 7.903 20.975 ( -4.590 -7.786 -5.418) 10.538 22.157 ( 5.300 1.562 -0.241) 5.531 22.214 ( 5.665 -1.100 -1.869) 6.066 22.524 ( -7.531 0.844 -1.637) 7.753 22.577 ( -7.654 -1.722 -3.316) 8.517 23.569 ( 3.199 2.218 9.864) 10.604 23.642 ( 1.082 1.475 7.255) 7.482 23.779 ( 4.896 -4.028 5.711) 8.533 23.953 ( -1.616 -9.487 0.884) 9.664 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -8.096 9.003 4.979) 13.092 2.329 ( 8.096 9.003 4.979) 13.092 2.405 ( -10.048 9.861 8.991) 16.705 2.405 ( 10.048 9.861 8.991) 16.705 2.645 ( -6.288 -5.887 -2.479) 8.963 2.645 ( 6.288 -5.887 -2.479) 8.963 2.871 ( -3.668 -10.313 2.638) 11.259 2.871 ( 3.668 -10.313 2.638) 11.259 3.357 ( -2.025 14.076 6.367) 15.581 3.357 ( 2.025 14.076 6.367) 15.581 3.688 ( -2.446 6.014 -0.840) 6.546 3.688 ( 2.446 6.014 -0.840) 6.546 3.785 ( -3.542 10.449 -5.075) 12.144 3.785 ( 3.542 10.449 -5.075) 12.144 4.033 ( -4.008 -2.745 0.932) 4.946 4.033 ( 4.008 -2.745 0.932) 4.946 4.310 ( -3.400 -3.911 -4.173) 6.654 4.310 ( 3.400 -3.911 -4.173) 6.654 4.469 ( -2.925 -8.833 0.767) 9.337 4.469 ( 2.925 -8.833 0.767) 9.337 4.811 ( -2.183 6.377 6.958) 9.687 4.811 ( 2.183 6.377 6.958) 9.687 5.042 ( -2.369 -1.755 0.520) 2.994 5.042 ( 2.369 -1.755 0.520) 2.994 5.397 ( -0.989 11.617 -9.539) 15.064 5.397 ( 0.989 11.617 -9.539) 15.064 5.744 ( -1.686 -4.579 -6.928) 8.474 5.744 ( 1.686 -4.579 -6.928) 8.474 6.241 ( -2.695 2.167 -4.739) 5.867 6.241 ( 2.695 2.167 -4.739) 5.867 6.485 ( -3.593 -4.496 -3.803) 6.898 6.485 ( 3.593 -4.496 -3.803) 6.898 6.748 ( -4.798 9.848 1.213) 11.022 6.748 ( 4.798 9.848 1.213) 11.022 6.965 ( -3.260 0.448 0.260) 3.301 6.965 ( 3.260 0.448 0.260) 3.301 7.326 ( -2.280 -1.093 -2.492) 3.550 7.326 ( 2.280 -1.093 -2.492) 3.550 7.492 ( -2.190 -14.266 -1.154) 14.479 7.492 ( 2.190 -14.266 -1.154) 14.479 8.141 ( -2.713 3.090 1.402) 4.344 8.141 ( 2.713 3.090 1.402) 4.344 8.375 ( -2.186 -6.985 0.049) 7.320 8.375 ( 2.186 -6.985 0.049) 7.320 8.592 ( -6.467 4.514 2.592) 8.301 8.592 ( 6.467 4.514 2.592) 8.301 8.775 ( -2.880 -3.835 -0.090) 4.797 8.775 ( 2.880 -3.835 -0.090) 4.797 9.685 ( -0.980 12.308 -3.711) 12.893 9.685 ( 0.980 12.308 -3.711) 12.893 10.238 ( -2.661 -13.838 -6.617) 15.568 10.238 ( 2.661 -13.838 -6.617) 15.568 11.005 ( -1.383 4.175 -2.183) 4.910 11.005 ( 1.383 4.175 -2.183) 4.910 11.191 ( -2.177 -4.770 -1.451) 5.440 11.191 ( 2.177 -4.770 -1.451) 5.440 11.873 ( -1.303 8.879 -3.025) 9.471 11.873 ( 1.303 8.879 -3.025) 9.471 12.227 ( -2.079 -7.816 -4.304) 9.161 12.227 ( 2.079 -7.816 -4.304) 9.161 12.634 ( -9.599 10.958 2.351) 14.756 12.634 ( 9.599 10.958 2.351) 14.756 12.925 ( -8.050 -4.275 7.315) 11.687 12.925 ( 8.050 -4.275 7.315) 11.687 14.699 ( -7.199 7.640 7.097) 12.671 14.699 ( 7.199 7.640 7.097) 12.671 15.148 ( -5.337 -14.306 1.282) 15.323 15.148 ( 5.337 -14.306 1.282) 15.323 19.214 ( -0.254 13.362 -0.633) 13.379 19.214 ( 0.254 13.362 -0.633) 13.379 19.448 ( -4.811 6.542 -5.543) 9.832 19.448 ( 4.811 6.542 -5.543) 9.832 20.516 ( -5.245 2.892 -0.263) 5.996 20.516 ( 5.245 2.892 -0.263) 5.996 20.831 ( -6.062 -9.257 -5.255) 12.250 20.831 ( 6.062 -9.257 -5.255) 12.250 22.316 ( -6.840 1.822 -2.189) 7.409 22.316 ( 6.840 1.822 -2.189) 7.409 22.393 ( -6.603 -1.920 -2.409) 7.286 22.393 ( 6.603 -1.920 -2.409) 7.286 23.635 ( -1.906 3.902 7.734) 8.870 23.635 ( 1.906 3.902 7.734) 8.870 23.888 ( -4.239 -8.987 3.845) 10.654 23.888 ( 4.239 -8.987 3.845) 10.654 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 -6.807 9.666) 11.822 2.313 ( 0.000 6.807 9.666) 11.822 2.452 ( 0.000 -8.329 7.351) 11.109 2.452 ( 0.000 8.329 7.351) 11.109 2.793 ( 0.000 -9.201 1.691) 9.355 2.793 ( 0.000 9.201 1.691) 9.355 3.016 ( 0.000 -2.262 1.930) 2.973 3.016 ( 0.000 2.262 1.930) 2.973 3.447 ( 0.000 -4.120 -3.318) 5.290 3.447 ( 0.000 4.120 -3.318) 5.290 3.588 ( 0.000 -5.530 5.450) 7.764 3.588 ( 0.000 5.530 5.450) 7.764 3.834 ( 0.000 -1.773 -4.719) 5.041 3.834 ( 0.000 1.773 -4.719) 5.041 4.057 ( 0.000 -8.889 -2.277) 9.176 4.057 ( 0.000 8.889 -2.277) 9.176 4.224 ( 0.000 -4.542 -0.280) 4.551 4.224 ( 0.000 4.542 -0.280) 4.551 4.328 ( 0.000 -2.169 0.656) 2.266 4.328 ( 0.000 2.169 0.656) 2.266 4.908 ( 0.000 -3.195 1.930) 3.733 4.908 ( 0.000 3.195 1.930) 3.733 5.001 ( 0.000 -7.414 4.940) 8.909 5.001 ( 0.000 7.414 4.940) 8.909 5.518 ( 0.000 -0.905 -11.435) 11.471 5.518 ( 0.000 0.905 -11.435) 11.471 5.737 ( 0.000 -4.440 -7.206) 8.464 5.737 ( 0.000 4.440 -7.206) 8.464 6.242 ( 0.000 -7.947 -9.126) 12.102 6.242 ( 0.000 7.947 -9.126) 12.102 6.377 ( 0.000 -2.621 -0.418) 2.654 6.377 ( 0.000 2.621 -0.418) 2.654 6.819 ( 0.000 -5.130 -3.283) 6.091 6.819 ( 0.000 5.130 -3.283) 6.091 7.099 ( 0.000 -4.073 4.038) 5.735 7.099 ( 0.000 4.072 4.038) 5.735 7.159 ( 0.000 -0.342 -2.811) 2.832 7.159 ( 0.000 0.342 -2.811) 2.832 7.499 ( 0.000 -0.601 -0.303) 0.673 7.499 ( 0.000 0.601 -0.303) 0.673 8.161 ( 0.000 -1.970 -0.121) 1.974 8.161 ( 0.000 1.970 -0.121) 1.974 8.293 ( 0.000 -2.575 1.941) 3.225 8.293 ( 0.000 2.575 1.941) 3.225 8.546 ( 0.000 -8.996 1.859) 9.186 8.546 ( 0.000 8.996 1.859) 9.186 8.847 ( 0.000 -2.568 1.617) 3.035 8.847 ( 0.000 2.568 1.617) 3.035 9.848 ( 0.000 -4.886 -4.968) 6.968 9.848 ( 0.000 4.886 -4.968) 6.968 10.030 ( 0.000 -8.437 -4.758) 9.687 10.030 ( 0.000 8.437 -4.758) 9.687 11.067 ( 0.000 -5.018 -0.351) 5.030 11.067 ( 0.000 5.018 -0.351) 5.030 11.198 ( 0.000 -6.514 -4.119) 7.707 11.198 ( 0.000 6.514 -4.119) 7.707 11.885 ( 0.000 -4.205 -4.273) 5.995 11.885 ( 0.000 4.205 -4.273) 5.995 12.185 ( 0.000 -0.320 -4.083) 4.096 12.185 ( 0.000 0.320 -4.083) 4.096 12.405 ( 0.000 -1.955 7.101) 7.365 12.405 ( 0.000 1.955 7.101) 7.365 13.280 ( 0.000 -3.331 3.085) 4.540 13.280 ( 0.000 3.331 3.085) 4.540 14.596 ( 0.000 -9.039 4.505) 10.100 14.596 ( 0.000 9.039 4.505) 10.100 15.102 ( 0.000 -6.394 3.828) 7.452 15.102 ( 0.000 6.394 3.828) 7.452 19.389 ( 0.000 -2.052 -1.005) 2.285 19.389 ( 0.000 2.052 -1.005) 2.285 19.501 ( 0.000 -11.263 -4.597) 12.165 19.501 ( 0.000 11.263 -4.597) 12.165 20.360 ( 0.000 -1.902 -4.473) 4.860 20.360 ( 0.000 1.902 -4.473) 4.860 20.934 ( 0.000 -0.228 -4.253) 4.259 20.934 ( 0.000 0.228 -4.253) 4.259 22.125 ( 0.000 -1.226 0.050) 1.227 22.125 ( 0.000 1.226 0.050) 1.227 22.639 ( 0.000 -1.500 -2.453) 2.875 22.639 ( 0.000 1.500 -2.453) 2.875 23.555 ( 0.000 -2.052 10.539) 10.737 23.555 ( 0.000 2.052 10.539) 10.737 23.814 ( 0.000 -6.368 2.417) 6.811 23.814 ( 0.000 6.368 2.417) 6.811 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.509 -7.844 5.488) 10.196 2.342 ( 3.509 7.844 5.488) 10.196 2.493 ( 3.580 -10.494 6.927) 13.074 2.493 ( 3.580 10.494 6.927) 13.074 2.726 ( -5.802 -8.616 2.227) 10.623 2.726 ( -5.802 8.616 2.227) 10.623 2.848 ( -12.409 -2.028 2.249) 12.773 2.848 ( -12.409 2.028 2.249) 12.773 3.511 ( 5.346 -3.403 -0.678) 6.374 3.511 ( 5.346 3.403 -0.678) 6.374 3.617 ( 1.602 -3.281 5.129) 6.296 3.617 ( 1.602 3.281 5.129) 6.296 3.917 ( 4.899 -4.388 -2.869) 7.175 3.917 ( 4.899 4.388 -2.869) 7.175 4.024 ( -2.120 -9.186 -3.544) 10.072 4.024 ( -2.120 9.186 -3.544) 10.072 4.251 ( 2.022 -8.651 1.025) 8.943 4.251 ( 2.022 8.651 1.025) 8.943 4.330 ( -0.092 -6.721 -1.709) 6.936 4.330 ( -0.092 6.721 -1.709) 6.936 4.918 ( 0.882 -4.796 2.155) 5.332 4.918 ( 0.882 4.796 2.155) 5.332 4.986 ( -1.385 -6.812 4.928) 8.521 4.986 ( -1.385 6.812 4.928) 8.521 5.541 ( 2.164 -1.413 -10.676) 10.985 5.541 ( 2.164 1.413 -10.676) 10.985 5.704 ( -3.169 -1.866 -7.627) 8.467 5.704 ( -3.169 1.866 -7.627) 8.467 6.242 ( 2.213 -5.361 -7.242) 9.278 6.242 ( 2.213 5.361 -7.242) 9.278 6.417 ( 0.479 -4.347 -2.451) 5.014 6.417 ( 0.479 4.347 -2.451) 5.014 6.833 ( 2.073 -5.968 -2.321) 6.731 6.833 ( 2.073 5.968 -2.321) 6.731 7.045 ( -4.432 -5.601 3.309) 7.872 7.045 ( -4.432 5.601 3.309) 7.872 7.202 ( 3.759 -1.047 -2.169) 4.464 7.202 ( 3.759 1.047 -2.169) 4.464 7.442 ( -4.781 -1.309 -0.565) 4.989 7.442 ( -4.781 1.309 -0.565) 4.989 8.179 ( 1.867 -4.197 0.443) 4.614 8.179 ( 1.867 4.197 0.443) 4.614 8.289 ( -1.051 -3.697 1.089) 3.995 8.289 ( -1.051 3.697 1.089) 3.995 8.584 ( 3.566 -7.513 1.961) 8.544 8.584 ( 3.566 7.513 1.961) 8.544 8.799 ( -4.048 -3.175 1.696) 5.417 8.799 ( -4.048 3.175 1.696) 5.417 9.881 ( 2.751 -6.226 -5.076) 8.491 9.881 ( 2.751 6.226 -5.076) 8.491 10.010 ( -1.797 -8.468 -4.990) 9.992 10.010 ( -1.797 8.468 -4.990) 9.992 11.069 ( 0.393 -4.744 -0.863) 4.838 11.069 ( 0.393 4.744 -0.863) 4.838 11.158 ( -3.024 -5.686 -3.349) 7.259 11.158 ( -3.024 5.686 -3.349) 7.259 11.939 ( 4.453 -3.208 -4.144) 6.877 11.939 ( 4.453 3.208 -4.144) 6.877 12.156 ( -3.062 -3.016 -4.085) 5.929 12.156 ( -3.062 3.016 -4.085) 5.929 12.520 ( 10.195 -5.083 6.565) 13.148 12.520 ( 10.195 5.083 6.565) 13.148 13.131 ( -12.213 -3.614 3.815) 13.296 13.131 ( -12.213 3.614 3.815) 13.296 14.698 ( 7.970 -8.635 4.300) 12.513 14.698 ( 7.970 8.635 4.300) 12.513 15.045 ( -5.069 -6.853 3.917) 9.381 15.045 ( -5.069 6.853 3.917) 9.381 19.399 ( 0.912 -3.998 -1.443) 4.347 19.399 ( 0.912 3.998 -1.443) 4.347 19.476 ( -2.004 -9.822 -3.927) 10.766 19.476 ( -2.004 9.822 -3.927) 10.766 20.444 ( 7.173 -3.546 -4.135) 9.007 20.444 ( 7.173 3.546 -4.135) 9.007 20.846 ( -7.430 -4.074 -3.739) 9.262 20.846 ( -7.430 4.074 -3.739) 9.262 22.188 ( 5.554 -1.496 -0.964) 5.833 22.188 ( 5.554 1.496 -0.964) 5.833 22.546 ( -7.560 -1.394 -2.462) 8.072 22.546 ( -7.560 1.394 -2.462) 8.072 23.622 ( 5.126 -2.894 9.061) 10.805 23.622 ( 5.126 2.894 9.061) 10.805 23.800 ( -1.484 -5.586 3.596) 6.808 23.800 ( -1.484 5.586 3.596) 6.808 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -9.046 -7.082 -0.433) 11.497 2.494 ( 8.382 -6.875 -0.433) 10.849 2.494 ( -8.382 6.875 -0.433) 10.849 2.494 ( 9.046 7.082 -0.433) 11.497 2.636 ( -5.205 -11.488 7.418) 14.632 2.636 ( 5.097 -11.476 7.418) 14.585 2.636 ( -5.097 11.476 7.418) 14.585 2.636 ( 5.205 11.488 7.418) 14.632 3.613 ( -0.951 -10.325 3.477) 10.937 3.613 ( 0.309 -10.316 3.477) 10.890 3.613 ( -0.309 10.316 3.477) 10.890 3.613 ( 0.951 10.325 3.477) 10.937 3.985 ( -1.500 -6.765 -3.123) 7.601 3.985 ( 1.384 -6.759 -3.123) 7.573 3.985 ( -1.384 6.759 -3.123) 7.573 3.985 ( 1.500 6.765 -3.123) 7.601 4.304 ( -2.218 -5.665 -1.228) 6.207 4.304 ( 2.108 -5.655 -1.228) 6.159 4.304 ( -2.108 5.655 -1.228) 6.159 4.304 ( 2.218 5.665 -1.228) 6.207 4.947 ( -1.634 -6.746 3.707) 7.869 4.947 ( 1.540 -6.741 3.707) 7.845 4.947 ( -1.540 6.741 3.707) 7.845 4.947 ( 1.634 6.746 3.707) 7.869 5.614 ( -1.440 -8.902 -9.047) 12.773 5.614 ( -0.430 -8.875 -9.047) 12.680 5.614 ( 0.430 8.875 -9.047) 12.680 5.614 ( 1.440 8.902 -9.047) 12.773 6.346 ( -4.171 -7.589 -5.090) 10.045 6.346 ( 1.037 -7.315 -5.090) 8.972 6.346 ( -1.037 7.315 -5.090) 8.972 6.346 ( 4.171 7.589 -5.090) 10.045 6.927 ( -5.658 -6.646 0.871) 8.771 6.927 ( 5.657 -6.646 0.871) 8.770 6.927 ( -5.657 6.646 0.871) 8.770 6.927 ( 5.658 6.646 0.871) 8.771 7.315 ( -5.564 -2.148 -1.203) 6.084 7.315 ( -3.728 -0.591 -1.203) 3.962 7.315 ( 3.728 0.591 -1.203) 3.962 7.315 ( 5.564 2.148 -1.203) 6.084 8.239 ( -2.660 -6.376 0.699) 6.944 8.239 ( 2.100 -6.324 0.699) 6.700 8.239 ( -2.100 6.324 0.699) 6.700 8.239 ( 2.660 6.376 0.699) 6.944 8.689 ( -5.384 -4.869 1.835) 7.488 8.689 ( 5.384 -4.869 1.835) 7.488 8.689 ( -5.384 4.869 1.835) 7.488 8.689 ( 5.384 4.869 1.835) 7.488 9.952 ( -2.033 -14.550 -5.198) 15.584 9.952 ( 1.508 -14.534 -5.198) 15.510 9.952 ( -1.508 14.534 -5.198) 15.510 9.952 ( 2.033 14.550 -5.198) 15.584 11.095 ( -2.117 -4.842 -2.013) 5.655 11.095 ( 2.065 -4.836 -2.013) 5.631 11.095 ( -2.065 4.836 -2.013) 5.631 11.095 ( 2.117 4.842 -2.013) 5.655 12.056 ( -2.715 -9.037 -3.939) 10.225 12.056 ( -0.244 -8.935 -3.939) 9.768 12.056 ( 0.244 8.935 -3.939) 9.768 12.056 ( 2.715 9.037 -3.939) 10.225 12.813 ( -13.614 -6.494 5.175) 15.947 12.813 ( -7.212 -2.973 5.175) 9.362 12.813 ( 7.212 2.973 5.175) 9.362 12.813 ( 13.614 6.494 5.175) 15.947 14.890 ( -6.917 -11.386 4.083) 13.934 14.890 ( 3.225 -10.967 4.083) 12.139 14.890 ( -3.225 10.967 4.083) 12.139 14.890 ( 6.917 11.386 4.083) 13.934 19.430 ( -1.799 -7.363 -2.580) 8.007 19.430 ( 1.748 -7.360 -2.580) 7.993 19.430 ( -1.748 7.360 -2.580) 7.993 19.430 ( 1.799 7.363 -2.580) 8.007 20.643 ( -7.954 -8.630 -3.546) 12.260 20.643 ( 0.084 -7.659 -3.546) 8.440 20.643 ( -0.084 7.659 -3.546) 8.440 20.643 ( 7.954 8.630 -3.546) 12.260 22.354 ( -8.675 -1.754 -2.230) 9.127 22.354 ( -8.100 0.815 -2.230) 8.441 22.354 ( 8.100 -0.815 -2.230) 8.441 22.354 ( 8.675 1.754 -2.230) 9.127 23.736 ( -3.457 -6.314 6.230) 9.521 23.736 ( 1.560 -6.123 6.230) 8.874 23.736 ( -1.560 6.123 6.230) 8.874 23.736 ( 3.457 6.314 6.230) 9.521 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.000 0.000 20.680) 20.680 2.054 ( 0.000 0.000 21.557) 21.557 2.199 ( 0.000 0.000 6.038) 6.038 2.272 ( 0.000 0.000 -1.074) 1.074 2.510 ( 0.000 0.000 2.612) 2.612 2.551 ( 0.000 0.000 -10.002) 10.002 2.704 ( 0.000 0.000 -3.877) 3.877 2.841 ( 0.000 0.000 6.941) 6.941 2.899 ( 0.000 0.000 -13.726) 13.726 3.067 ( 0.000 0.000 -2.337) 2.337 3.085 ( 0.000 0.000 -5.728) 5.728 3.127 ( 0.000 0.000 -2.709) 2.709 3.683 ( 0.000 0.000 5.129) 5.129 3.700 ( 0.000 0.000 1.154) 1.154 4.032 ( 0.000 0.000 4.700) 4.700 4.132 ( 0.000 0.000 -2.517) 2.517 4.364 ( 0.000 0.000 -3.877) 3.877 4.521 ( 0.000 0.000 -3.903) 3.903 4.542 ( 0.000 0.000 -6.909) 6.909 4.621 ( 0.000 0.000 -4.084) 4.084 4.626 ( 0.000 0.000 -3.756) 3.756 4.685 ( 0.000 0.000 -3.086) 3.086 5.035 ( 0.000 0.000 5.762) 5.762 5.055 ( 0.000 0.000 8.051) 8.051 5.127 ( 0.000 0.000 0.618) 0.618 5.565 ( 0.000 0.000 5.463) 5.463 5.959 ( 0.000 0.000 8.430) 8.430 5.998 ( 0.000 0.000 -5.510) 5.510 6.176 ( 0.000 0.000 6.323) 6.323 6.194 ( 0.000 0.000 0.679) 0.679 6.204 ( 0.000 0.000 -0.980) 0.980 6.270 ( 0.000 0.000 3.541) 3.541 6.369 ( 0.000 0.000 2.048) 2.048 6.557 ( 0.000 0.000 -12.261) 12.261 6.923 ( 0.000 0.000 -4.446) 4.446 6.934 ( 0.000 0.000 -5.761) 5.761 6.976 ( 0.000 0.000 -4.736) 4.736 7.084 ( 0.000 0.000 -10.131) 10.131 8.157 ( 0.000 0.000 12.263) 12.263 8.239 ( 0.000 0.000 4.880) 4.880 8.246 ( 0.000 0.000 -0.050) 0.050 8.314 ( 0.000 0.000 -4.022) 4.022 8.342 ( 0.000 0.000 -0.404) 0.404 8.559 ( 0.000 0.000 -0.306) 0.306 8.668 ( 0.000 0.000 -8.185) 8.185 8.730 ( 0.000 0.000 -3.322) 3.322 8.767 ( 0.000 0.000 -1.651) 1.651 8.788 ( 0.000 0.000 -1.702) 1.702 9.184 ( 0.000 0.000 5.487) 5.487 9.281 ( 0.000 0.000 1.483) 1.483 10.387 ( 0.000 0.000 -1.971) 1.971 10.475 ( 0.000 0.000 -6.590) 6.590 10.818 ( 0.000 0.000 -0.380) 0.380 10.826 ( 0.000 0.000 -0.792) 0.792 11.439 ( 0.000 0.000 -2.885) 2.885 11.482 ( 0.000 0.000 -4.133) 4.133 11.596 ( 0.000 0.000 5.827) 5.827 11.812 ( 0.000 0.000 -5.013) 5.013 11.827 ( 0.000 0.000 7.605) 7.605 12.080 ( 0.000 0.000 -5.343) 5.343 12.273 ( 0.000 0.000 5.148) 5.148 12.479 ( 0.000 0.000 -5.230) 5.230 13.129 ( 0.000 0.000 8.246) 8.246 13.288 ( 0.000 0.000 -0.295) 0.295 14.491 ( 0.000 0.000 14.490) 14.490 14.940 ( 0.000 0.000 -8.275) 8.275 15.689 ( 0.000 0.000 0.440) 0.440 15.792 ( 0.000 0.000 -5.005) 5.005 18.632 ( 0.000 0.000 0.567) 0.567 18.655 ( 0.000 0.000 -0.577) 0.577 18.659 ( 0.000 0.000 0.523) 0.523 18.679 ( 0.000 0.000 -0.450) 0.450 20.510 ( 0.000 0.000 1.501) 1.501 20.565 ( 0.000 0.000 -1.000) 1.000 21.054 ( 0.000 0.000 1.156) 1.156 21.179 ( 0.000 0.000 -4.317) 4.317 22.085 ( 0.000 0.000 1.234) 1.234 22.138 ( 0.000 0.000 -1.504) 1.504 22.595 ( 0.000 0.000 0.328) 0.328 22.667 ( 0.000 0.000 -3.623) 3.623 23.746 ( 0.000 0.000 9.971) 9.971 23.805 ( 0.000 0.000 7.106) 7.106 23.859 ( 0.000 0.000 -0.011) 0.011 24.241 ( 0.000 0.000 -12.240) 12.240 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.018 0.000 17.727) 17.982 2.154 ( -3.716 0.000 7.675) 8.527 2.158 ( 8.134 0.000 18.022) 19.773 2.312 ( 3.351 0.000 -1.160) 3.546 2.474 ( -3.499 0.000 5.618) 6.618 2.498 ( -3.887 0.000 -5.847) 7.021 2.685 ( -8.022 0.000 -1.548) 8.170 2.746 ( 2.961 0.000 -7.431) 8.000 2.758 ( -11.433 0.000 -8.143) 14.036 2.876 ( -2.019 0.000 -12.893) 13.050 3.274 ( 8.554 0.000 5.944) 10.416 3.396 ( 9.939 0.000 -2.440) 10.234 3.709 ( 2.479 0.000 2.951) 3.854 3.757 ( 4.537 0.000 1.802) 4.882 4.064 ( 3.163 0.000 2.249) 3.881 4.197 ( 4.254 0.000 -3.814) 5.714 4.311 ( -3.189 0.000 0.166) 3.193 4.519 ( -5.059 0.000 2.320) 5.566 4.531 ( 1.208 0.000 -4.765) 4.916 4.608 ( 2.048 0.000 -11.179) 11.365 4.614 ( -0.610 0.000 -3.499) 3.552 4.697 ( -0.256 0.000 -5.965) 5.971 4.965 ( -4.696 0.000 8.218) 9.465 5.052 ( -1.871 0.000 1.332) 2.297 5.087 ( -1.500 0.000 9.682) 9.797 5.401 ( -12.130 0.000 9.603) 15.471 5.953 ( 1.561 0.000 -8.767) 8.905 5.995 ( 3.217 0.000 8.486) 9.075 6.152 ( -4.159 0.000 -5.973) 7.278 6.197 ( -2.410 0.000 7.207) 7.599 6.239 ( 0.094 0.000 -1.735) 1.738 6.346 ( -2.024 0.000 1.304) 2.408 6.392 ( 11.390 0.000 3.337) 11.869 6.588 ( 1.687 0.000 -8.241) 8.412 6.925 ( 0.176 0.000 -4.730) 4.733 6.933 ( -0.117 0.000 -5.599) 5.600 7.003 ( 2.105 0.000 -5.183) 5.594 7.081 ( -0.558 0.000 -9.005) 9.023 8.192 ( -1.596 0.000 2.542) 3.001 8.218 ( 5.096 0.000 11.285) 12.383 8.244 ( -1.476 0.000 2.844) 3.204 8.299 ( 1.184 0.000 -0.326) 1.228 8.379 ( 0.126 0.000 -3.357) 3.359 8.501 ( -5.196 0.000 4.756) 7.044 8.671 ( 1.170 0.000 -10.004) 10.072 8.737 ( -0.212 0.000 -5.743) 5.747 8.795 ( 2.080 0.000 -2.739) 3.439 8.812 ( 1.604 0.000 -2.820) 3.245 9.199 ( 1.312 0.000 4.961) 5.132 9.268 ( -1.134 0.000 2.046) 2.339 10.398 ( 0.932 0.000 -2.545) 2.710 10.460 ( -1.299 0.000 -5.786) 5.930 10.863 ( 3.480 0.000 -0.160) 3.484 10.876 ( 3.873 0.000 -0.966) 3.992 11.378 ( -4.176 0.000 -0.922) 4.277 11.418 ( -4.042 0.000 -3.957) 5.656 11.673 ( 4.623 0.000 1.733) 4.937 11.803 ( -0.966 0.000 -4.080) 4.193 11.856 ( 2.524 0.000 6.425) 6.903 12.024 ( -4.048 0.000 -1.119) 4.199 12.324 ( 3.585 0.000 1.212) 3.784 12.459 ( -1.800 0.000 -4.537) 4.881 13.127 ( 0.216 0.000 7.272) 7.275 13.240 ( -3.805 0.000 1.220) 3.996 14.559 ( 5.816 0.000 12.634) 13.909 14.880 ( -5.374 0.000 -2.855) 6.086 15.683 ( 0.161 0.000 -1.573) 1.581 15.769 ( -2.067 0.000 -5.355) 5.740 18.634 ( 0.182 0.000 0.493) 0.525 18.648 ( -0.385 0.000 0.021) 0.386 18.666 ( 0.349 0.000 -0.050) 0.352 18.677 ( -0.140 0.000 -0.402) 0.425 20.550 ( 4.108 0.000 2.913) 5.036 20.650 ( 5.370 0.000 -1.209) 5.505 20.988 ( -4.017 0.000 0.820) 4.100 21.139 ( -4.290 0.000 -5.731) 7.159 22.119 ( 3.478 0.000 1.055) 3.635 22.182 ( 3.584 0.000 -2.450) 4.341 22.509 ( -6.770 0.000 0.339) 6.779 22.573 ( -7.417 0.000 -3.229) 8.090 23.707 ( -1.137 0.000 9.245) 9.314 23.746 ( -1.442 0.000 6.135) 6.302 24.049 ( 9.739 0.000 -0.737) 9.767 24.258 ( 0.505 0.000 -9.917) 9.930 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -4.721 0.000 11.988) 12.884 2.055 ( 4.721 0.000 11.988) 12.884 2.345 ( -7.822 0.000 11.378) 13.807 2.345 ( 7.822 0.000 11.378) 13.807 2.403 ( -4.514 0.000 -2.192) 5.018 2.403 ( 4.514 0.000 -2.192) 5.018 2.609 ( -1.830 0.000 -7.347) 7.571 2.609 ( 1.830 0.000 -7.347) 7.571 2.816 ( -3.168 0.000 -10.737) 11.195 2.816 ( 3.168 0.000 -10.737) 11.195 3.432 ( -4.817 0.000 3.476) 5.940 3.432 ( 4.817 0.000 3.476) 5.940 3.798 ( -2.465 0.000 1.329) 2.800 3.798 ( 2.465 0.000 1.329) 2.800 4.163 ( -5.154 0.000 -2.533) 5.743 4.163 ( 5.154 0.000 -2.533) 5.743 4.376 ( -6.859 0.000 3.487) 7.695 4.376 ( 6.859 0.000 3.487) 7.695 4.579 ( -2.745 0.000 -6.121) 6.709 4.579 ( 2.745 0.000 -6.121) 6.709 4.665 ( -2.377 0.000 -9.457) 9.751 4.665 ( 2.377 0.000 -9.457) 9.751 4.938 ( -3.908 0.000 12.543) 13.138 4.938 ( 3.908 0.000 12.543) 13.138 5.170 ( -7.464 0.000 6.268) 9.747 5.170 ( 7.464 0.000 6.268) 9.747 6.041 ( -5.286 0.000 -9.390) 10.776 6.041 ( 5.286 0.000 -9.390) 10.776 6.092 ( -5.250 0.000 8.284) 9.807 6.092 ( 5.250 0.000 8.284) 9.807 6.288 ( -2.915 0.000 -0.390) 2.941 6.288 ( 2.915 0.000 -0.390) 2.941 6.571 ( -4.220 0.000 -1.944) 4.647 6.571 ( 4.220 0.000 -1.944) 4.647 6.929 ( -0.186 0.000 -5.212) 5.215 6.929 ( 0.186 0.000 -5.212) 5.215 7.052 ( -1.991 0.000 -6.768) 7.055 7.052 ( 1.991 0.000 -6.768) 7.055 8.200 ( -1.885 0.000 3.341) 3.836 8.200 ( 1.885 0.000 3.341) 3.836 8.346 ( -2.479 0.000 -2.013) 3.193 8.346 ( 2.479 0.000 -2.013) 3.193 8.358 ( -7.055 0.000 8.768) 11.254 8.358 ( 7.055 0.000 8.768) 11.254 8.711 ( -1.891 0.000 -8.670) 8.874 8.711 ( 1.891 0.000 -8.670) 8.874 8.829 ( -0.507 0.000 -3.685) 3.720 8.829 ( 0.507 0.000 -3.685) 3.720 9.235 ( -1.738 0.000 3.497) 3.905 9.235 ( 1.738 0.000 3.497) 3.905 10.426 ( -1.556 0.000 -4.052) 4.341 10.426 ( 1.556 0.000 -4.052) 4.341 10.927 ( -0.776 0.000 -0.273) 0.823 10.927 ( 0.776 0.000 -0.273) 0.823 11.338 ( -1.687 0.000 -2.872) 3.331 11.338 ( 1.687 0.000 -2.872) 3.331 11.761 ( -3.010 0.000 -1.565) 3.392 11.761 ( 3.010 0.000 -1.565) 3.392 11.931 ( -4.053 0.000 3.354) 5.261 11.931 ( 4.053 0.000 3.354) 5.261 12.402 ( -3.230 0.000 -2.461) 4.061 12.402 ( 3.230 0.000 -2.461) 4.061 13.158 ( -2.839 0.000 4.497) 5.318 13.158 ( 2.839 0.000 4.497) 5.318 14.722 ( -8.134 0.000 6.727) 10.555 14.722 ( 8.134 0.000 6.727) 10.555 15.714 ( -2.431 0.000 -4.719) 5.308 15.714 ( 2.431 0.000 -4.719) 5.308 18.640 ( -0.325 0.000 0.297) 0.440 18.640 ( 0.325 0.000 0.297) 0.440 18.673 ( -0.270 0.000 -0.267) 0.380 18.673 ( 0.270 0.000 -0.267) 0.380 20.665 ( -4.674 0.000 3.424) 5.794 20.665 ( 4.674 0.000 3.424) 5.794 21.005 ( -6.046 0.000 -5.202) 7.976 21.005 ( 6.046 0.000 -5.202) 7.976 22.221 ( -3.395 0.000 -1.243) 3.616 22.221 ( 3.395 0.000 -1.243) 3.616 22.421 ( -3.183 0.000 -1.343) 3.455 22.421 ( 3.183 0.000 -1.343) 3.455 23.716 ( -1.230 0.000 7.763) 7.859 23.716 ( 1.230 0.000 7.763) 7.859 24.217 ( -4.800 0.000 -5.427) 7.245 24.217 ( 4.800 0.000 -5.427) 7.245 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 8.282 19.216) 20.925 2.070 ( 0.000 2.527 19.384) 19.548 2.353 ( 0.000 13.175 5.267) 14.188 2.437 ( 0.000 13.896 -0.410) 13.902 2.537 ( 0.000 3.826 3.343) 5.080 2.673 ( 0.000 11.275 -10.059) 15.110 2.784 ( 0.000 4.185 0.146) 4.188 2.915 ( 0.000 9.598 2.260) 9.860 2.978 ( 0.000 5.121 -12.087) 13.126 3.057 ( 0.000 0.414 -1.108) 1.182 3.107 ( 0.000 -0.746 -0.279) 0.796 3.128 ( 0.000 6.279 -7.124) 9.496 3.644 ( 0.000 -3.295 4.449) 5.536 3.663 ( 0.000 -3.598 0.949) 3.721 4.020 ( 0.000 -1.248 4.283) 4.461 4.124 ( 0.000 -1.378 -3.679) 3.928 4.264 ( 0.000 -7.578 -2.536) 7.991 4.496 ( 0.000 -3.528 -10.225) 10.816 4.583 ( 0.000 3.810 -2.542) 4.580 4.620 ( 0.000 5.120 0.502) 5.145 4.730 ( 0.000 4.468 -3.558) 5.712 4.761 ( 0.000 6.667 -5.089) 8.388 5.016 ( 0.000 -3.157 4.234) 5.281 5.038 ( 0.000 0.054 10.175) 10.175 5.095 ( 0.000 -3.135 1.112) 3.326 5.503 ( 0.000 -5.615 6.276) 8.422 5.821 ( 0.000 -9.593 4.681) 10.674 5.934 ( 0.000 -4.476 -9.144) 10.180 6.124 ( 0.000 -4.343 5.169) 6.751 6.252 ( 0.000 3.555 1.360) 3.806 6.322 ( 0.000 2.622 0.028) 2.622 6.327 ( 0.000 7.106 1.252) 7.216 6.427 ( 0.000 6.061 -0.335) 6.070 6.547 ( 0.000 1.181 -10.319) 10.387 6.885 ( 0.000 -0.706 -1.523) 1.679 6.965 ( 0.000 3.256 -2.837) 4.319 7.088 ( 0.000 1.306 -7.748) 7.858 7.092 ( 0.000 7.051 -6.364) 9.498 8.113 ( 0.000 -11.590 4.219) 12.334 8.118 ( 0.000 -7.640 5.651) 9.503 8.221 ( 0.000 -0.592 3.584) 3.632 8.274 ( 0.000 -3.782 -3.523) 5.169 8.287 ( 0.000 -2.731 0.846) 2.859 8.590 ( 0.000 0.536 -5.612) 5.638 8.623 ( 0.000 -2.262 1.575) 2.756 8.680 ( 0.000 -7.023 -0.133) 7.024 8.766 ( 0.000 2.983 -2.695) 4.020 8.778 ( 0.000 -0.693 -4.874) 4.923 9.268 ( 0.000 7.040 3.410) 7.823 9.346 ( 0.000 5.786 1.077) 5.886 10.387 ( 0.000 -0.539 -3.447) 3.489 10.411 ( 0.000 -5.920 -4.940) 7.710 10.845 ( 0.000 2.307 -0.572) 2.377 10.849 ( 0.000 2.245 -0.754) 2.368 11.416 ( 0.000 -2.364 -2.578) 3.498 11.453 ( 0.000 -3.226 -3.498) 4.759 11.646 ( 0.000 4.726 3.768) 6.045 11.712 ( 0.000 -4.523 1.962) 4.930 11.918 ( 0.000 4.898 2.127) 5.339 12.087 ( 0.000 0.633 -4.831) 4.872 12.360 ( 0.000 7.414 2.093) 7.704 12.479 ( 0.000 -0.042 -3.924) 3.924 13.128 ( 0.000 0.174 8.426) 8.428 13.295 ( 0.000 0.711 -0.294) 0.770 14.500 ( 0.000 0.958 13.655) 13.689 14.917 ( 0.000 -2.280 -7.471) 7.811 15.574 ( 0.000 -10.401 2.491) 10.695 15.705 ( 0.000 -8.317 -4.777) 9.591 18.737 ( 0.000 8.334 0.431) 8.345 18.753 ( 0.000 10.788 0.822) 10.819 18.756 ( 0.000 8.748 -0.539) 8.765 18.834 ( 0.000 15.174 -3.760) 15.633 20.475 ( 0.000 -3.433 1.607) 3.790 20.535 ( 0.000 -2.927 -1.162) 3.149 21.038 ( 0.000 -1.675 0.780) 1.847 21.149 ( 0.000 -3.036 -4.015) 5.033 22.089 ( 0.000 0.350 1.178) 1.229 22.139 ( 0.000 0.048 -1.423) 1.424 22.594 ( 0.000 -0.148 0.201) 0.249 22.659 ( 0.000 -0.747 -3.444) 3.524 23.738 ( 0.000 -0.750 9.500) 9.530 23.799 ( 0.000 -0.549 6.775) 6.798 23.840 ( 0.000 -1.885 0.684) 2.005 24.189 ( 0.000 -4.923 -10.465) 11.565 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 4.172 8.996 17.026) 19.703 2.156 ( 6.819 1.071 15.219) 16.712 2.301 ( -4.021 11.393 7.787) 14.374 2.453 ( -0.114 11.122 1.057) 11.173 2.516 ( -1.273 6.530 4.001) 7.764 2.595 ( -4.449 7.493 -5.998) 10.579 2.709 ( -8.039 3.515 -2.289) 9.067 2.758 ( -11.038 1.191 -7.606) 13.458 2.880 ( 3.294 12.193 -6.362) 14.142 2.997 ( -1.579 11.386 -11.466) 16.236 3.275 ( 8.584 0.790 6.072) 10.544 3.391 ( 9.721 -0.032 -2.407) 10.014 3.642 ( 0.579 -5.622 3.883) 6.858 3.696 ( 2.585 -5.127 1.749) 6.002 4.066 ( 3.902 -0.403 1.232) 4.112 4.186 ( 2.844 -1.838 -5.634) 6.573 4.259 ( 1.632 -4.344 0.398) 4.658 4.476 ( -3.176 -4.180 -5.797) 7.821 4.572 ( -0.162 3.541 -2.481) 4.327 4.597 ( -1.035 4.964 -1.347) 5.247 4.735 ( 0.032 3.813 -5.163) 6.418 4.755 ( -0.356 6.812 -4.811) 8.347 4.969 ( -4.402 0.366 8.616) 9.683 5.041 ( 2.046 -1.471 1.398) 2.882 5.057 ( -3.331 -2.150 9.331) 10.138 5.361 ( -10.396 -3.482 7.576) 13.326 5.845 ( 2.411 -8.284 0.830) 8.668 5.924 ( 0.292 -4.825 -5.837) 7.579 6.199 ( 2.341 -3.944 0.069) 4.587 6.223 ( -2.104 3.014 0.630) 3.729 6.310 ( 0.447 3.118 -0.316) 3.166 6.340 ( -0.988 8.362 -0.247) 8.423 6.455 ( 3.947 2.836 0.876) 4.938 6.569 ( 0.938 0.315 -6.277) 6.355 6.904 ( 1.757 -0.929 -2.172) 2.944 6.969 ( 0.062 2.969 -2.571) 3.927 7.087 ( 0.130 2.767 -8.006) 8.472 7.100 ( 0.348 5.890 -6.319) 8.646 8.095 ( -1.142 -10.469 3.214) 11.010 8.113 ( -0.497 -10.151 3.408) 10.720 8.204 ( 0.111 -3.693 2.891) 4.691 8.278 ( -0.667 -2.606 3.037) 4.057 8.339 ( 3.989 -0.412 -0.968) 4.126 8.548 ( -3.746 2.437 2.284) 5.019 8.634 ( 1.686 -4.088 -4.768) 6.503 8.707 ( 0.202 -5.260 -0.436) 5.282 8.747 ( 0.570 -0.361 -5.120) 5.164 8.799 ( 0.402 -0.282 -4.788) 4.813 9.283 ( 1.225 6.926 2.853) 7.590 9.337 ( -0.772 6.025 1.312) 6.215 10.398 ( 0.932 -0.553 -3.692) 3.848 10.419 ( 0.451 -4.121 -5.010) 6.503 10.874 ( 2.344 1.108 -0.328) 2.614 10.881 ( 2.516 0.746 -0.776) 2.737 11.358 ( -3.950 -2.034 -1.083) 4.573 11.395 ( -4.181 -2.749 -3.513) 6.114 11.668 ( 1.400 0.572 1.677) 2.258 11.714 ( -0.357 -3.593 0.522) 3.648 11.979 ( 5.452 8.599 3.040) 10.626 12.129 ( 2.372 6.633 -3.473) 7.854 12.349 ( -0.636 3.475 0.835) 3.630 12.445 ( -2.819 -1.178 -3.662) 4.770 13.121 ( -0.130 -0.511 7.472) 7.490 13.239 ( -4.318 -0.024 1.249) 4.495 14.568 ( 5.685 0.933 11.919) 13.238 14.865 ( -4.730 -1.411 -2.337) 5.461 15.579 ( 0.847 -9.683 -0.076) 9.720 15.680 ( -2.209 -8.489 -4.869) 10.032 18.737 ( 0.050 8.391 0.531) 8.408 18.746 ( -0.299 8.892 0.755) 8.929 18.770 ( 0.899 10.973 -0.842) 11.042 18.820 ( -1.070 14.304 -3.080) 14.671 20.519 ( 4.303 -2.995 2.803) 5.945 20.617 ( 5.341 -3.204 -1.302) 6.362 20.968 ( -4.311 -2.021 0.653) 4.806 21.108 ( -4.350 -3.110 -5.467) 7.647 22.124 ( 3.601 0.538 0.982) 3.771 22.184 ( 3.714 0.146 -2.309) 4.376 22.506 ( -6.865 -0.216 0.227) 6.872 22.565 ( -7.399 -0.723 -3.075) 8.045 23.707 ( -0.829 0.045 8.832) 8.871 23.742 ( -1.184 -0.289 5.927) 6.051 24.018 ( 9.011 -3.024 -0.076) 9.505 24.207 ( 0.606 -4.918 -8.361) 9.719 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -5.402 10.167 11.920) 16.572 2.184 ( 5.402 10.167 11.920) 16.572 2.339 ( -8.124 0.941 9.086) 12.225 2.339 ( 8.124 0.941 9.086) 12.225 2.542 ( -1.884 12.327 -2.121) 12.649 2.542 ( 1.884 12.327 -2.121) 12.649 2.609 ( -1.249 0.726 -6.619) 6.775 2.609 ( 1.249 0.726 -6.619) 6.775 2.950 ( -2.674 12.714 -9.162) 15.898 2.950 ( 2.674 12.714 -9.162) 15.898 3.426 ( -4.604 -0.336 3.418) 5.744 3.426 ( 4.604 -0.336 3.418) 5.744 3.707 ( -2.734 -7.156 1.735) 7.855 3.707 ( 2.734 -7.156 1.735) 7.855 4.160 ( -3.612 -1.149 -2.750) 4.683 4.160 ( 3.612 -1.149 -2.750) 4.683 4.370 ( -5.582 -1.908 -0.531) 5.923 4.370 ( 5.582 -1.908 -0.531) 5.923 4.582 ( -0.582 3.290 -3.328) 4.716 4.582 ( 0.582 3.290 -3.328) 4.716 4.738 ( -1.206 4.464 -7.168) 8.530 4.738 ( 1.206 4.464 -7.168) 8.530 4.948 ( -3.767 1.094 13.374) 13.937 4.948 ( 3.767 1.094 13.374) 13.937 5.153 ( -7.385 -1.326 3.695) 8.363 5.153 ( 7.385 -1.326 3.695) 8.363 5.909 ( -2.336 -7.691 -2.793) 8.509 5.909 ( 2.336 -7.691 -2.793) 8.509 6.202 ( -0.631 3.010 -0.245) 3.085 6.202 ( 0.631 3.010 -0.245) 3.085 6.319 ( -0.544 4.496 -1.375) 4.732 6.319 ( 0.544 4.496 -1.375) 4.732 6.550 ( -3.016 -0.448 -1.363) 3.340 6.550 ( 3.016 -0.448 -1.363) 3.340 6.950 ( -1.876 0.571 -2.501) 3.178 6.950 ( 1.876 0.571 -2.501) 3.178 7.097 ( -0.591 4.902 -7.108) 8.654 7.097 ( 0.591 4.902 -7.108) 8.654 8.093 ( -0.938 -10.727 2.663) 11.093 8.093 ( 0.938 -10.727 2.663) 11.093 8.237 ( -2.428 -5.238 1.951) 6.094 8.237 ( 2.428 -5.238 1.951) 6.094 8.446 ( -5.154 3.606 3.517) 7.206 8.446 ( 5.154 3.606 3.517) 7.206 8.677 ( -1.961 -4.025 -3.870) 5.918 8.677 ( 1.961 -4.025 -3.870) 5.918 8.785 ( -1.611 -2.126 -5.041) 5.703 8.785 ( 1.611 -2.126 -5.041) 5.703 9.313 ( -1.333 6.527 1.939) 6.938 9.313 ( 1.333 6.527 1.939) 6.938 10.418 ( -0.617 -1.397 -4.459) 4.714 10.418 ( 0.617 -1.397 -4.459) 4.714 10.916 ( -0.406 -0.704 -0.398) 0.905 10.916 ( 0.406 -0.704 -0.398) 0.905 11.318 ( -1.368 -2.105 -2.267) 3.383 11.318 ( 1.368 -2.105 -2.267) 3.383 11.696 ( -1.078 -2.275 0.476) 2.562 11.696 ( 1.078 -2.275 0.476) 2.562 12.109 ( -4.718 13.546 1.174) 14.392 12.109 ( 4.718 13.546 1.174) 14.392 12.373 ( -3.046 -2.962 -2.731) 5.051 12.373 ( 3.046 -2.962 -2.731) 5.051 13.149 ( -2.988 -0.983 4.637) 5.603 13.149 ( 2.988 -0.983 4.637) 5.603 14.722 ( -7.515 0.185 6.507) 9.942 14.722 ( 7.515 0.185 6.507) 9.942 15.620 ( -2.723 -8.841 -3.816) 10.007 15.620 ( 2.723 -8.841 -3.816) 10.007 18.740 ( -0.212 8.469 0.727) 8.503 18.740 ( 0.212 8.469 0.727) 8.503 18.793 ( -1.228 12.582 -1.859) 12.778 18.793 ( 1.228 12.582 -1.859) 12.778 20.637 ( -4.565 -2.791 3.137) 6.202 20.637 ( 4.565 -2.791 3.137) 6.202 20.976 ( -5.750 -2.992 -4.962) 8.164 20.976 ( 5.750 -2.992 -4.962) 8.164 22.229 ( -3.345 0.768 -1.218) 3.642 22.229 ( 3.345 0.768 -1.218) 3.642 22.414 ( -3.119 -0.772 -1.291) 3.462 22.414 ( 3.119 -0.772 -1.291) 3.462 23.718 ( -1.105 0.203 7.434) 7.519 23.718 ( 1.105 0.203 7.434) 7.519 24.172 ( -4.324 -4.353 -4.334) 7.512 24.172 ( 4.324 -4.353 -4.334) 7.512 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 6.573 15.984) 17.282 2.206 ( 0.000 9.425 15.604) 18.229 2.540 ( 0.000 5.526 3.439) 6.509 2.704 ( 0.000 11.040 -2.227) 11.262 2.725 ( 0.000 10.165 2.289) 10.419 2.805 ( 0.000 0.963 3.216) 3.357 2.849 ( 0.000 0.773 -7.370) 7.410 3.001 ( 0.000 1.368 -7.845) 7.963 3.099 ( 0.000 8.783 2.022) 9.013 3.211 ( 0.000 12.138 0.876) 12.169 3.236 ( 0.000 15.469 1.124) 15.510 3.382 ( 0.000 16.816 -6.263) 17.945 3.581 ( 0.000 -3.248 -0.833) 3.354 3.599 ( 0.000 0.500 0.899) 1.029 3.987 ( 0.000 -2.051 3.937) 4.439 4.069 ( 0.000 -3.833 -4.641) 6.019 4.120 ( 0.000 -6.244 0.788) 6.293 4.453 ( 0.000 -1.367 -8.583) 8.692 4.593 ( 0.000 -3.326 0.538) 3.369 4.673 ( 0.000 -2.908 -0.213) 2.915 4.886 ( 0.000 11.150 -4.744) 12.117 4.917 ( 0.000 10.344 1.611) 10.469 4.953 ( 0.000 -2.050 -1.835) 2.751 5.015 ( 0.000 -4.478 1.805) 4.828 5.048 ( 0.000 0.907 9.062) 9.107 5.379 ( 0.000 -6.315 3.350) 7.149 5.657 ( 0.000 -6.209 0.638) 6.241 5.847 ( 0.000 -4.488 -9.320) 10.345 6.039 ( 0.000 -3.658 1.696) 4.032 6.213 ( 0.000 -5.920 -6.659) 8.910 6.398 ( 0.000 4.428 1.125) 4.569 6.413 ( 0.000 2.472 2.580) 3.573 6.570 ( 0.000 6.291 -5.150) 8.130 6.628 ( 0.000 5.154 -8.735) 10.142 6.924 ( 0.000 4.525 4.186) 6.165 7.025 ( 0.000 3.776 2.596) 4.582 7.159 ( 0.000 4.629 -5.485) 7.177 7.211 ( 0.000 4.325 -5.530) 7.020 7.831 ( 0.000 -15.800 2.932) 16.069 7.865 ( 0.000 -15.921 1.002) 15.952 8.179 ( 0.000 -2.606 -1.082) 2.822 8.187 ( 0.000 -4.259 -2.148) 4.770 8.327 ( 0.000 4.970 6.442) 8.136 8.504 ( 0.000 -5.540 -1.562) 5.756 8.532 ( 0.000 -7.491 1.595) 7.659 8.659 ( 0.000 2.003 -2.630) 3.306 8.770 ( 0.000 0.426 -1.667) 1.721 8.829 ( 0.000 3.023 -1.790) 3.513 9.423 ( 0.000 8.506 1.038) 8.569 9.482 ( 0.000 7.917 -0.132) 7.918 10.263 ( 0.000 -8.876 -2.528) 9.229 10.336 ( 0.000 -5.369 -5.583) 7.746 10.898 ( 0.000 3.059 -0.345) 3.078 10.912 ( 0.000 4.161 -1.120) 4.309 11.349 ( 0.000 -4.335 -2.328) 4.921 11.350 ( 0.000 -6.782 -0.624) 6.811 11.676 ( 0.000 0.845 1.596) 1.806 11.756 ( 0.000 5.639 -0.611) 5.672 12.016 ( 0.000 4.835 0.654) 4.879 12.099 ( 0.000 0.500 -3.501) 3.536 12.479 ( 0.000 0.178 -0.253) 0.309 12.500 ( 0.000 5.537 -0.394) 5.551 13.153 ( 0.000 2.892 7.728) 8.251 13.317 ( 0.000 1.480 -0.216) 1.496 14.531 ( 0.000 2.218 11.267) 11.484 14.855 ( 0.000 -3.938 -5.119) 6.458 15.347 ( 0.000 -11.217 4.778) 12.192 15.499 ( 0.000 -11.779 -3.811) 12.380 18.948 ( 0.000 12.715 0.806) 12.740 18.979 ( 0.000 13.143 -0.570) 13.156 19.027 ( 0.000 15.459 0.391) 15.464 19.176 ( 0.000 17.299 -8.295) 19.185 20.386 ( 0.000 -5.154 1.686) 5.423 20.456 ( 0.000 -4.821 -1.595) 5.078 20.988 ( 0.000 -3.329 -0.207) 3.336 21.063 ( 0.000 -5.570 -3.210) 6.429 22.098 ( 0.000 0.598 0.958) 1.130 22.139 ( 0.000 -0.101 -1.162) 1.167 22.591 ( 0.000 -0.075 -0.165) 0.181 22.640 ( 0.000 -1.125 -2.937) 3.145 23.720 ( 0.000 -0.931 8.347) 8.399 23.790 ( 0.000 -0.167 5.733) 5.735 23.793 ( 0.000 -2.710 2.364) 3.596 24.068 ( 0.000 -6.807 -6.502) 9.413 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.299 4.146 12.179) 13.565 2.252 ( 4.156 8.639 13.319) 16.411 2.460 ( -5.809 5.239 4.367) 8.959 2.607 ( -8.049 1.358 -0.813) 8.203 2.675 ( -4.497 5.665 2.858) 7.777 2.736 ( -3.402 6.469 -4.781) 8.734 2.803 ( -4.299 8.049 -2.805) 9.547 2.921 ( -4.291 9.575 -3.843) 11.174 3.122 ( 6.156 10.347 0.524) 12.051 3.265 ( 2.134 14.341 -7.002) 16.101 3.383 ( 5.624 11.435 3.659) 13.258 3.439 ( 3.144 6.248 -1.255) 7.107 3.558 ( 0.549 -0.174 3.628) 3.673 3.620 ( 1.147 -0.335 0.150) 1.204 4.040 ( 3.713 -2.045 0.048) 4.240 4.117 ( 1.081 -4.296 -3.513) 5.654 4.173 ( 6.612 -4.224 -0.239) 7.850 4.419 ( -3.394 -2.023 -6.313) 7.448 4.593 ( 0.378 -3.154 0.827) 3.283 4.636 ( -2.160 -2.984 -0.745) 3.758 4.863 ( -1.555 7.921 -4.917) 9.452 4.922 ( -0.545 10.969 -1.009) 11.029 4.975 ( -2.498 0.240 9.381) 9.711 5.005 ( 2.742 0.607 3.633) 4.592 5.033 ( 0.197 -0.827 1.493) 1.718 5.287 ( -6.906 -3.693 2.143) 8.119 5.694 ( 2.833 -6.447 -1.219) 7.146 5.817 ( -2.091 -5.956 -6.478) 9.045 6.110 ( 4.601 -3.707 -1.321) 6.054 6.200 ( -0.612 -4.315 -4.718) 6.423 6.392 ( 0.183 4.150 -0.594) 4.196 6.482 ( 3.727 0.993 0.741) 3.927 6.527 ( -2.314 7.945 -4.419) 9.381 6.645 ( 0.153 5.928 -4.633) 7.525 6.914 ( 0.174 2.130 2.890) 3.595 7.015 ( -1.556 2.954 2.104) 3.947 7.167 ( 1.249 4.537 -5.733) 7.417 7.219 ( 0.347 4.692 -5.602) 7.315 7.819 ( -0.845 -16.176 2.273) 16.357 7.844 ( -1.573 -16.147 0.929) 16.250 8.139 ( -0.688 -2.373 1.174) 2.736 8.203 ( -1.337 -3.469 -1.699) 4.088 8.381 ( 4.608 3.022 4.272) 6.973 8.513 ( -0.891 -5.713 -1.138) 5.893 8.535 ( 1.876 -5.210 1.343) 5.698 8.666 ( -0.549 1.827 0.517) 1.977 8.744 ( -1.076 -0.248 -3.764) 3.923 8.815 ( -1.445 1.512 -2.723) 3.434 9.434 ( 0.913 8.287 0.704) 8.367 9.476 ( -0.600 7.940 -0.100) 7.963 10.293 ( 2.327 -8.492 -3.238) 9.382 10.344 ( 0.489 -5.872 -5.344) 7.955 10.906 ( 0.703 2.336 -0.398) 2.472 10.917 ( 0.378 3.026 -0.938) 3.190 11.297 ( -3.321 -4.410 -0.808) 5.579 11.309 ( -3.218 -5.234 -1.815) 6.406 11.690 ( 1.113 2.275 0.796) 2.654 11.734 ( -1.143 4.564 -0.328) 4.716 12.132 ( 8.500 5.153 -0.454) 9.950 12.180 ( 6.213 -1.150 -2.975) 6.984 12.438 ( -3.024 1.700 0.675) 3.534 12.486 ( -2.113 8.920 -1.329) 9.263 13.114 ( -2.404 0.079 7.438) 7.817 13.239 ( -6.113 -0.142 1.200) 6.231 14.601 ( 5.650 2.553 9.881) 11.665 14.834 ( -2.314 -1.386 -1.272) 2.982 15.354 ( 1.061 -11.965 2.223) 12.216 15.470 ( -2.488 -12.012 -3.598) 12.784 18.949 ( 0.104 12.675 0.794) 12.701 18.967 ( -0.745 12.986 0.208) 13.009 19.051 ( 1.763 15.684 -1.145) 15.824 19.150 ( -2.105 16.950 -6.708) 18.351 20.442 ( 4.949 -4.405 2.375) 7.037 20.534 ( 5.480 -4.896 -1.642) 7.530 20.908 ( -5.223 -3.991 0.236) 6.577 21.019 ( -4.609 -5.841 -4.727) 8.815 22.139 ( 3.945 0.909 0.728) 4.113 22.187 ( 4.079 0.066 -1.892) 4.497 22.502 ( -7.110 -0.176 -0.113) 7.113 22.547 ( -7.381 -1.088 -2.648) 7.917 23.712 ( 0.130 0.485 7.766) 7.783 23.739 ( -0.496 0.137 5.278) 5.303 23.941 ( 7.071 -4.427 1.490) 8.475 24.084 ( 0.647 -7.042 -4.864) 8.583 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -5.364 3.791 6.743) 9.413 2.322 ( 5.364 3.791 6.743) 9.413 2.412 ( -9.060 5.353 6.742) 12.498 2.412 ( 9.060 5.353 6.742) 12.498 2.622 ( -1.620 1.546 -2.832) 3.610 2.622 ( 1.620 1.546 -2.832) 3.610 2.835 ( -3.073 12.248 -2.776) 12.930 2.835 ( 3.073 12.248 -2.776) 12.930 3.249 ( -3.604 14.990 -3.062) 15.719 3.249 ( 3.604 14.990 -3.062) 15.719 3.446 ( -1.586 4.319 2.706) 5.338 3.446 ( 1.586 4.319 2.706) 5.338 3.618 ( -2.253 0.748 1.270) 2.693 3.618 ( 2.254 0.748 1.270) 2.693 4.111 ( -1.948 -3.369 -1.731) 4.259 4.111 ( 1.948 -3.369 -1.731) 4.259 4.318 ( -5.443 -2.664 -3.281) 6.891 4.318 ( 5.443 -2.664 -3.281) 6.891 4.608 ( -0.679 -3.467 -0.409) 3.557 4.608 ( 0.679 -3.467 -0.409) 3.557 4.859 ( -2.184 7.623 -2.623) 8.352 4.859 ( 2.184 7.623 -2.623) 8.352 4.984 ( -2.137 3.515 11.824) 12.519 4.984 ( 2.137 3.515 11.824) 12.519 5.134 ( -6.275 -0.352 -2.839) 6.896 5.134 ( 6.275 -0.352 -2.839) 6.896 5.761 ( -2.950 -7.202 -3.841) 8.679 5.761 ( 2.950 -7.202 -3.841) 8.679 6.183 ( -1.629 -2.494 -2.830) 4.109 6.183 ( 1.629 -2.494 -2.830) 4.109 6.427 ( -3.394 3.372 -3.660) 6.024 6.427 ( 3.394 3.372 -3.660) 6.024 6.601 ( -3.968 5.845 0.102) 7.065 6.601 ( 3.968 5.845 0.102) 7.065 6.956 ( -3.123 1.018 1.035) 3.444 6.956 ( 3.123 1.018 1.035) 3.444 7.207 ( -1.612 5.020 -5.494) 7.615 7.207 ( 1.612 5.020 -5.494) 7.615 7.814 ( -0.711 -16.683 1.259) 16.746 7.814 ( 0.711 -16.683 1.259) 16.746 8.157 ( -2.031 -2.468 0.896) 3.319 8.157 ( 2.031 -2.468 0.896) 3.319 8.474 ( -2.897 -2.273 0.327) 3.697 8.474 ( 2.897 -2.273 0.327) 3.697 8.601 ( -3.959 -0.886 2.642) 4.841 8.601 ( 3.959 -0.886 2.642) 4.841 8.769 ( -2.370 -0.186 -4.526) 5.112 8.769 ( 2.370 -0.186 -4.526) 5.112 9.457 ( -1.048 8.014 0.179) 8.084 9.457 ( 1.048 8.014 0.179) 8.084 10.339 ( -1.273 -7.229 -4.543) 8.632 10.339 ( 1.273 -7.229 -4.543) 8.632 10.920 ( -0.283 1.523 -0.597) 1.660 10.920 ( 0.283 1.523 -0.597) 1.660 11.257 ( -0.462 -3.941 -1.241) 4.158 11.257 ( 0.462 -3.941 -1.241) 4.158 11.714 ( -0.901 3.868 0.054) 3.972 11.714 ( 0.901 3.868 0.054) 3.972 12.282 ( -1.931 -5.304 -3.010) 6.397 12.282 ( 1.931 -5.304 -3.010) 6.397 12.401 ( -3.354 14.564 0.765) 14.965 12.401 ( 3.354 14.564 0.765) 14.965 13.116 ( -3.433 -2.568 4.767) 6.411 13.116 ( 3.433 -2.568 4.767) 6.411 14.740 ( -5.999 1.917 5.693) 8.489 14.740 ( 5.999 1.917 5.693) 8.489 15.403 ( -3.094 -12.435 -1.989) 12.968 15.403 ( 3.094 -12.435 -1.989) 12.968 18.954 ( -0.401 12.714 0.675) 12.738 18.954 ( 0.401 12.714 0.675) 12.738 19.097 ( -2.392 16.284 -3.731) 16.876 19.097 ( 2.392 16.284 -3.731) 16.876 20.567 ( -4.345 -3.742 2.309) 6.182 20.567 ( 4.345 -3.742 2.309) 6.182 20.888 ( -5.019 -5.942 -4.332) 8.903 20.888 ( 5.019 -5.942 -4.332) 8.903 22.251 ( -3.210 1.446 -1.159) 3.707 22.251 ( 3.210 1.446 -1.159) 3.707 22.392 ( -2.981 -1.387 -1.174) 3.491 22.392 ( 2.981 -1.387 -1.174) 3.491 23.728 ( -0.788 0.954 6.517) 6.633 23.728 ( 0.788 0.954 6.517) 6.633 24.061 ( -3.239 -6.510 -1.786) 7.487 24.061 ( 3.239 -6.510 -1.786) 7.487 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 8.741 11.670) 14.580 2.383 ( 0.000 8.746 10.321) 13.529 2.610 ( 0.000 -0.959 3.869) 3.986 2.717 ( 0.000 0.042 1.032) 1.032 2.739 ( 0.000 -8.088 -0.023) 8.088 2.822 ( 0.000 0.591 -5.893) 5.922 2.966 ( 0.000 7.027 2.975) 7.631 3.065 ( 0.000 2.528 -1.821) 3.116 3.284 ( 0.000 8.246 1.364) 8.358 3.380 ( 0.000 2.478 -0.763) 2.593 3.491 ( 0.000 10.735 3.406) 11.262 3.619 ( 0.000 5.881 -1.569) 6.087 3.700 ( 0.000 6.940 -2.115) 7.255 3.712 ( 0.000 15.442 -5.590) 16.423 3.923 ( 0.000 -4.936 0.866) 5.012 4.008 ( 0.000 -0.835 -5.352) 5.417 4.093 ( 0.000 5.778 7.962) 9.837 4.404 ( 0.000 -4.658 -0.697) 4.710 4.475 ( 0.000 -7.745 1.761) 7.943 4.528 ( 0.000 -10.155 0.514) 10.168 4.909 ( 0.000 -1.439 -0.798) 1.645 4.935 ( 0.000 -3.141 -0.919) 3.273 5.046 ( 0.000 1.225 7.746) 7.842 5.097 ( 0.000 6.576 -0.550) 6.599 5.183 ( 0.000 11.736 -6.933) 13.631 5.287 ( 0.000 -1.186 -4.101) 4.269 5.596 ( 0.000 -0.056 -1.422) 1.423 5.751 ( 0.000 -5.372 -5.824) 7.924 6.006 ( 0.000 0.747 -3.082) 3.171 6.107 ( 0.000 -3.904 -8.560) 9.408 6.433 ( 0.000 -0.362 2.357) 2.384 6.444 ( 0.000 0.028 2.338) 2.339 6.661 ( 0.000 3.950 -4.789) 6.208 6.712 ( 0.000 3.276 -8.754) 9.347 7.028 ( 0.000 4.352 4.449) 6.224 7.118 ( 0.000 4.057 3.631) 5.444 7.201 ( 0.000 -1.401 -3.777) 4.029 7.230 ( 0.000 -2.405 -2.177) 3.244 7.569 ( 0.000 -8.780 0.718) 8.810 7.576 ( 0.000 -10.889 -0.213) 10.891 8.135 ( 0.000 -0.581 -0.510) 0.773 8.156 ( 0.000 0.335 -1.172) 1.219 8.373 ( 0.000 -4.697 1.150) 4.836 8.396 ( 0.000 -5.292 -0.010) 5.292 8.462 ( 0.000 4.758 5.232) 7.072 8.652 ( 0.000 -2.678 -3.965) 4.784 8.816 ( 0.000 3.529 2.092) 4.102 8.874 ( 0.000 1.307 -0.550) 1.418 9.604 ( 0.000 10.039 -0.350) 10.045 9.660 ( 0.000 10.210 -1.615) 10.337 10.069 ( 0.000 -10.572 -1.409) 10.665 10.169 ( 0.000 -11.185 -5.455) 12.444 10.970 ( 0.000 4.406 0.144) 4.408 11.009 ( 0.000 5.463 -2.021) 5.825 11.213 ( 0.000 -6.761 1.055) 6.842 11.251 ( 0.000 -5.483 -2.274) 5.935 11.727 ( 0.000 3.808 -0.708) 3.873 11.831 ( 0.000 1.268 -4.379) 4.559 12.094 ( 0.000 2.851 -1.337) 3.149 12.110 ( 0.000 0.714 -2.210) 2.323 12.492 ( 0.000 1.282 3.923) 4.127 12.553 ( 0.000 0.057 2.014) 2.014 13.240 ( 0.000 5.265 4.435) 6.884 13.342 ( 0.000 0.648 0.231) 0.688 14.589 ( 0.000 3.663 7.611) 8.447 14.768 ( 0.000 -4.787 -1.426) 4.995 15.176 ( 0.000 -5.443 4.151) 6.845 15.279 ( 0.000 -9.677 -1.708) 9.826 19.207 ( 0.000 12.835 -0.049) 12.835 19.231 ( 0.000 11.339 -0.652) 11.357 19.297 ( 0.000 10.385 -0.118) 10.386 19.430 ( 0.000 6.853 -7.983) 10.521 20.303 ( 0.000 -2.472 0.488) 2.519 20.362 ( 0.000 -4.331 -2.108) 4.816 20.915 ( 0.000 -3.583 -1.282) 3.806 20.946 ( 0.000 -5.597 -2.271) 6.040 22.111 ( 0.000 0.688 0.509) 0.856 22.134 ( 0.000 -0.389 -0.706) 0.806 22.592 ( 0.000 0.237 -0.728) 0.765 22.618 ( 0.000 -1.037 -2.213) 2.443 23.707 ( 0.000 -0.325 7.057) 7.064 23.742 ( 0.000 -2.191 4.219) 4.754 23.800 ( 0.000 1.366 3.826) 4.063 23.941 ( 0.000 -5.811 -2.387) 6.282 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.914 6.017 8.062) 10.102 2.410 ( 2.199 7.343 7.257) 10.556 2.531 ( -5.197 -0.337 1.480) 5.414 2.593 ( -6.150 1.473 -0.527) 6.346 2.726 ( -4.386 -1.304 -0.868) 4.658 2.800 ( -5.885 1.918 -0.214) 6.193 2.906 ( -3.169 0.359 0.329) 3.206 2.934 ( -5.261 -4.877 0.787) 7.216 3.346 ( 6.493 11.133 2.436) 13.117 3.473 ( 5.616 3.404 -2.102) 6.896 3.562 ( 2.719 12.861 3.155) 13.519 3.663 ( 2.698 8.600 2.003) 9.233 3.702 ( -1.500 7.967 -4.129) 9.098 3.735 ( 3.574 12.850 0.743) 13.358 4.003 ( 3.408 -0.650 -1.116) 3.645 4.081 ( 7.641 -3.752 -4.467) 9.613 4.100 ( 0.330 3.451 6.532) 7.395 4.364 ( -3.479 -4.238 -0.566) 5.512 4.467 ( -0.459 -8.602 1.340) 8.718 4.502 ( -1.773 -9.407 -0.530) 9.588 4.904 ( 0.169 -0.435 0.898) 1.012 4.959 ( 1.395 -1.815 0.439) 2.331 5.020 ( -1.969 0.306 3.759) 4.255 5.101 ( -0.555 3.267 2.518) 4.162 5.197 ( 1.354 12.581 -6.312) 14.141 5.259 ( -1.690 4.342 -5.823) 7.458 5.603 ( 0.381 -2.986 -3.418) 4.554 5.694 ( -3.905 -6.404 -5.532) 9.320 6.076 ( 5.257 0.458 -2.942) 6.042 6.127 ( 2.258 -2.036 -6.068) 6.787 6.426 ( -1.728 -0.767 -0.613) 1.988 6.460 ( -0.164 -3.211 -0.822) 3.318 6.664 ( 1.914 6.659 -2.324) 7.308 6.761 ( 3.379 5.109 -6.052) 8.611 6.983 ( -3.049 4.211 5.679) 7.699 7.101 ( -3.021 4.752 3.762) 6.772 7.208 ( 2.030 -1.601 -4.149) 4.888 7.248 ( 1.754 -2.278 -3.143) 4.260 7.528 ( -3.120 -11.155 0.562) 11.597 7.539 ( -3.048 -12.406 -0.528) 12.786 8.128 ( 0.427 1.444 0.737) 1.676 8.175 ( 0.367 0.747 -1.527) 1.739 8.359 ( -0.447 -5.300 1.243) 5.462 8.395 ( -0.521 -5.886 -0.500) 5.930 8.523 ( 4.885 4.219 4.231) 7.718 8.679 ( 2.323 -1.754 -3.133) 4.277 8.769 ( -3.855 3.139 2.426) 5.532 8.839 ( -2.965 0.541 -0.776) 3.112 9.615 ( 0.862 10.267 -0.667) 10.325 9.655 ( -0.479 10.535 -1.715) 10.685 10.093 ( 1.930 -11.542 -2.074) 11.884 10.164 ( -0.525 -11.878 -5.004) 12.900 10.970 ( 0.059 4.109 -0.139) 4.112 10.997 ( -0.911 4.849 -1.640) 5.199 11.186 ( -1.755 -5.954 0.391) 6.219 11.212 ( -2.745 -5.078 -1.848) 6.061 11.770 ( 3.232 5.290 -0.838) 6.256 11.835 ( 0.445 4.753 -2.835) 5.552 12.122 ( 1.546 -3.725 -2.253) 4.620 12.149 ( 1.904 -2.470 -3.547) 4.723 12.530 ( 4.884 6.318 5.203) 9.531 12.625 ( 5.448 3.999 0.603) 6.785 13.135 ( -8.063 2.165 5.229) 9.851 13.228 ( -9.126 -1.164 1.142) 9.270 14.671 ( 6.413 4.567 6.801) 10.404 14.815 ( 2.918 -0.869 -0.337) 3.063 15.149 ( -1.714 -7.896 3.484) 8.799 15.241 ( -3.254 -10.423 -1.504) 11.023 19.205 ( -0.093 12.557 0.002) 12.557 19.220 ( -0.731 11.741 -0.258) 11.766 19.316 ( 1.475 9.583 -1.344) 9.789 19.405 ( -2.012 7.271 -6.505) 9.962 20.375 ( 6.127 -1.579 0.818) 6.380 20.444 ( 6.531 -3.763 -2.289) 7.878 20.823 ( -6.720 -3.996 -0.313) 7.825 20.891 ( -5.508 -6.637 -3.549) 9.326 22.158 ( 4.379 0.977 0.237) 4.493 22.185 ( 4.494 -0.286 -1.236) 4.669 22.501 ( -7.362 0.161 -0.664) 7.393 22.526 ( -7.417 -1.008 -2.039) 7.758 23.727 ( 1.783 1.144 6.386) 6.728 23.753 ( 0.867 1.206 4.284) 4.534 23.860 ( 4.015 -3.297 2.990) 5.994 23.950 ( 0.307 -6.252 -1.241) 6.381 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -6.186 4.013 2.407) 7.757 2.396 ( 6.186 4.013 2.407) 7.757 2.484 ( -3.814 1.603 -1.300) 4.336 2.484 ( 3.814 1.603 -1.300) 4.336 2.660 ( -1.953 2.675 4.901) 5.915 2.660 ( 1.953 2.675 4.901) 5.915 2.888 ( -0.513 -5.219 -0.631) 5.282 2.888 ( 0.513 -5.219 -0.631) 5.282 3.485 ( -4.242 10.010 4.554) 11.787 3.485 ( 4.242 10.010 4.554) 11.787 3.633 ( -3.702 10.058 -3.850) 11.388 3.633 ( 3.702 10.058 -3.850) 11.388 3.750 ( -2.905 10.228 2.325) 10.883 3.750 ( 2.905 10.228 2.325) 10.883 4.072 ( -2.868 0.880 2.214) 3.728 4.072 ( 2.868 0.880 2.214) 3.728 4.256 ( -6.553 -3.977 -1.816) 7.877 4.256 ( 6.553 -3.977 -1.816) 7.877 4.470 ( -0.925 -9.317 -0.401) 9.371 4.470 ( 0.925 -9.317 -0.401) 9.371 4.934 ( -2.492 1.701 3.913) 4.942 4.934 ( 2.492 1.701 3.913) 4.942 5.045 ( -3.560 -1.687 0.310) 3.952 5.045 ( 3.560 -1.687 0.310) 3.952 5.232 ( -1.299 11.861 -5.684) 13.217 5.232 ( 1.299 11.861 -5.684) 13.217 5.623 ( -2.009 -7.191 -5.454) 9.246 5.623 ( 2.009 -7.191 -5.454) 9.246 6.168 ( -1.006 1.936 -2.778) 3.532 6.168 ( 1.006 1.936 -2.778) 3.532 6.406 ( -1.843 -5.145 -4.032) 6.792 6.406 ( 1.843 -5.145 -4.032) 6.792 6.757 ( -4.436 9.385 -0.058) 10.381 6.757 ( 4.436 9.385 -0.058) 10.381 6.997 ( -4.776 1.880 2.588) 5.748 6.997 ( 4.776 1.880 2.588) 5.748 7.268 ( -1.457 1.220 -3.160) 3.688 7.268 ( 1.457 1.220 -3.160) 3.688 7.482 ( -0.533 -15.485 -0.204) 15.495 7.482 ( 0.533 -15.485 -0.204) 15.495 8.156 ( -1.689 2.494 0.319) 3.029 8.156 ( 1.689 2.494 0.319) 3.029 8.371 ( -1.283 -6.584 -0.310) 6.715 8.371 ( 1.283 -6.584 -0.310) 6.715 8.648 ( -5.775 3.904 3.026) 7.599 8.648 ( 5.775 3.904 3.026) 7.599 8.760 ( -3.718 -1.044 -1.489) 4.139 8.760 ( 3.718 -1.044 -1.489) 4.139 9.638 ( -1.070 10.658 -1.373) 10.799 9.638 ( 1.070 10.658 -1.373) 10.799 10.139 ( -1.838 -12.548 -3.666) 13.202 10.139 ( 1.838 -12.548 -3.666) 13.202 10.977 ( -0.671 4.063 -0.823) 4.199 10.977 ( 0.671 4.063 -0.823) 4.199 11.168 ( -0.653 -4.939 -0.852) 5.054 11.168 ( 0.653 -4.939 -0.852) 5.054 11.830 ( -1.537 7.482 -1.362) 7.759 11.830 ( 1.537 7.482 -1.362) 7.759 12.151 ( -1.044 -7.665 -3.188) 8.367 12.151 ( 1.044 -7.665 -3.188) 8.367 12.678 ( -4.567 12.923 1.852) 13.830 12.678 ( 4.567 12.923 1.852) 13.830 13.040 ( -4.024 -5.392 4.361) 8.019 13.040 ( 4.024 -5.393 4.361) 8.019 14.808 ( -4.391 5.285 4.157) 8.031 14.808 ( 4.391 5.285 4.157) 8.031 15.159 ( -3.139 -11.897 0.016) 12.304 15.159 ( 3.139 -11.897 0.016) 12.304 19.207 ( -0.332 12.141 -0.005) 12.146 19.207 ( 0.332 12.141 -0.005) 12.146 19.356 ( -2.145 8.315 -3.743) 9.367 19.356 ( 2.145 8.315 -3.743) 9.367 20.522 ( -4.136 0.116 0.679) 4.193 20.522 ( 4.136 0.116 0.679) 4.193 20.747 ( -4.286 -8.093 -3.380) 9.762 20.747 ( 4.286 -8.093 -3.380) 9.762 22.284 ( -3.036 1.885 -1.091) 3.737 22.284 ( 3.036 1.885 -1.091) 3.737 22.360 ( -2.882 -1.800 -1.075) 3.564 22.360 ( 2.882 -1.800 -1.075) 3.564 23.760 ( -0.625 2.449 5.126) 5.715 23.760 ( 0.625 2.449 5.126) 5.715 23.933 ( -2.098 -6.174 0.967) 6.592 23.933 ( 2.098 -6.174 0.967) 6.592 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 -7.006 7.523) 10.280 2.484 ( 0.000 7.006 7.523) 10.280 2.569 ( 0.000 -7.827 4.158) 8.863 2.569 ( 0.000 7.827 4.158) 8.863 2.782 ( 0.000 -3.820 -1.782) 4.215 2.782 ( 0.000 3.820 -1.782) 4.215 3.053 ( 0.000 -2.797 1.580) 3.212 3.053 ( 0.000 2.797 1.580) 3.212 3.398 ( 0.000 -2.185 -1.976) 2.946 3.398 ( 0.000 2.185 -1.976) 2.946 3.630 ( 0.000 -2.711 -0.014) 2.711 3.630 ( 0.000 2.711 -0.014) 2.711 3.805 ( 0.000 -6.006 1.510) 6.193 3.805 ( 0.000 6.006 1.510) 6.193 3.984 ( 0.000 -7.743 -5.385) 9.431 3.984 ( 0.000 7.743 -5.385) 9.431 4.285 ( 0.000 -9.393 5.716) 10.995 4.285 ( 0.000 9.393 5.716) 10.995 4.357 ( 0.000 -0.394 2.598) 2.628 4.357 ( 0.000 0.394 2.598) 2.628 4.900 ( 0.000 -0.522 -2.796) 2.844 4.900 ( 0.000 0.522 -2.796) 2.844 5.090 ( 0.000 -3.222 3.268) 4.589 5.090 ( 0.000 3.222 3.268) 4.589 5.319 ( 0.000 -0.757 -8.571) 8.604 5.319 ( 0.000 0.757 -8.571) 8.604 5.646 ( 0.000 -4.710 -2.020) 5.125 5.646 ( 0.000 4.710 -2.020) 5.125 6.052 ( 0.000 -2.724 -7.913) 8.369 6.052 ( 0.000 2.724 -7.913) 8.369 6.426 ( 0.000 -0.565 3.639) 3.683 6.426 ( 0.000 0.565 3.639) 3.683 6.732 ( 0.000 -2.120 -5.487) 5.882 6.732 ( 0.000 2.120 -5.487) 5.882 7.080 ( 0.000 -3.866 -2.818) 4.784 7.080 ( 0.000 3.866 -2.818) 4.784 7.198 ( 0.000 -0.690 3.811) 3.873 7.198 ( 0.000 0.690 3.811) 3.873 7.487 ( 0.000 -0.518 -0.891) 1.031 7.487 ( 0.000 0.518 -0.891) 1.031 8.156 ( 0.000 -1.459 -0.255) 1.481 8.156 ( 0.000 1.459 -0.255) 1.481 8.319 ( 0.000 -1.267 0.811) 1.505 8.319 ( 0.000 1.267 0.811) 1.505 8.571 ( 0.000 -5.214 0.903) 5.291 8.571 ( 0.000 5.214 0.903) 5.291 8.872 ( 0.000 -1.642 0.826) 1.838 8.872 ( 0.000 1.642 0.826) 1.838 9.795 ( 0.000 -5.753 -0.812) 5.810 9.795 ( 0.000 5.753 -0.812) 5.810 9.946 ( 0.000 -7.252 -3.762) 8.170 9.946 ( 0.000 7.252 -3.762) 8.170 11.064 ( 0.000 -3.978 -0.105) 3.980 11.064 ( 0.000 3.978 -0.105) 3.980 11.145 ( 0.000 -4.037 -1.417) 4.278 11.145 ( 0.000 4.037 -1.417) 4.278 11.804 ( 0.000 -3.409 -3.597) 4.956 11.804 ( 0.000 3.409 -3.597) 4.956 12.121 ( 0.000 -0.019 -2.350) 2.350 12.121 ( 0.000 0.019 -2.350) 2.350 12.527 ( 0.000 -2.024 4.959) 5.357 12.527 ( 0.000 2.024 4.959) 5.357 13.325 ( 0.000 -2.726 1.524) 3.123 13.325 ( 0.000 2.726 1.524) 3.123 14.672 ( 0.000 -4.724 3.118) 5.660 14.672 ( 0.000 4.724 3.118) 5.660 15.150 ( 0.000 -2.892 1.357) 3.194 15.150 ( 0.000 2.892 1.357) 3.194 19.372 ( 0.000 -1.214 -0.664) 1.384 19.372 ( 0.000 1.214 -0.664) 1.384 19.424 ( 0.000 -6.009 -3.121) 6.771 19.424 ( 0.000 6.009 -3.121) 6.771 20.300 ( 0.000 -1.792 -1.851) 2.577 20.300 ( 0.000 1.792 -1.851) 2.577 20.878 ( 0.000 -0.632 -1.769) 1.878 20.878 ( 0.000 0.632 -1.769) 1.878 22.124 ( 0.000 -0.615 -0.101) 0.623 22.124 ( 0.000 0.615 -0.101) 0.623 22.601 ( 0.000 -0.664 -1.434) 1.580 22.601 ( 0.000 0.664 -1.434) 1.580 23.712 ( 0.000 -0.904 5.764) 5.834 23.712 ( 0.000 0.904 5.764) 5.834 23.848 ( 0.000 -3.599 1.087) 3.759 23.848 ( 0.000 3.599 1.087) 3.759 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -2.099 -5.376 3.685) 6.847 2.429 ( -2.099 5.376 3.685) 6.847 2.573 ( -1.320 -5.496 0.667) 5.691 2.573 ( -1.320 5.496 0.667) 5.691 2.756 ( -2.085 -5.082 1.615) 5.726 2.756 ( -2.085 5.082 1.615) 5.726 2.885 ( -10.015 -0.771 1.800) 10.205 2.885 ( -10.016 0.771 1.800) 10.205 3.503 ( 7.638 -2.983 -0.845) 8.244 3.503 ( 7.638 2.983 -0.845) 8.244 3.678 ( 1.493 -1.781 1.192) 2.612 3.678 ( 1.493 1.781 1.192) 2.612 3.904 ( 6.564 -9.245 1.820) 11.483 3.904 ( 6.564 9.245 1.820) 11.483 3.992 ( 1.133 -6.151 -1.127) 6.356 3.992 ( 1.133 6.151 -1.127) 6.356 4.282 ( -0.507 -9.762 2.976) 10.218 4.282 ( -0.507 9.762 2.976) 10.218 4.327 ( -2.217 -3.438 1.148) 4.248 4.327 ( -2.217 3.438 1.148) 4.248 4.917 ( 1.798 -1.848 -2.254) 3.424 4.917 ( 1.798 1.848 -2.254) 3.424 5.061 ( -2.646 -3.510 2.198) 4.914 5.061 ( -2.646 3.510 2.198) 4.914 5.356 ( 3.332 -1.134 -7.739) 8.502 5.356 ( 3.332 1.134 -7.739) 8.502 5.587 ( -4.967 -2.858 -3.846) 6.901 5.587 ( -4.967 2.858 -3.846) 6.901 6.107 ( 5.352 -1.411 -5.365) 7.708 6.107 ( 5.352 1.411 -5.365) 7.708 6.405 ( -3.379 -0.692 0.233) 3.457 6.405 ( -3.379 0.692 0.233) 3.457 6.785 ( 5.372 -4.059 -2.423) 7.155 6.785 ( 5.372 4.059 -2.423) 7.155 7.079 ( -2.738 -6.796 -0.165) 7.329 7.079 ( -2.738 6.796 -0.165) 7.329 7.186 ( 1.630 -2.577 1.005) 3.211 7.186 ( 1.630 2.577 1.005) 3.211 7.426 ( -5.129 -0.549 -1.083) 5.271 7.426 ( -5.129 0.549 -1.083) 5.271 8.181 ( 2.199 -2.433 -0.075) 3.281 8.181 ( 2.199 2.433 -0.075) 3.281 8.301 ( -1.757 -2.055 0.283) 2.718 8.301 ( -1.757 2.055 0.283) 2.718 8.615 ( 3.766 -4.363 1.192) 5.886 8.615 ( 3.766 4.363 1.192) 5.886 8.826 ( -3.865 -1.967 0.997) 4.450 8.826 ( -3.865 1.967 0.997) 4.450 9.820 ( 2.125 -6.284 -1.413) 6.783 9.820 ( 2.125 6.284 -1.413) 6.783 9.927 ( -1.682 -7.313 -3.525) 8.290 9.927 ( -1.682 7.313 -3.525) 8.290 11.058 ( -0.239 -3.533 -0.410) 3.564 11.058 ( -0.239 3.533 -0.410) 3.564 11.115 ( -2.309 -3.547 -1.196) 4.398 11.115 ( -2.309 3.547 -1.196) 4.398 11.864 ( 4.937 -2.840 -3.175) 6.521 11.864 ( 4.937 2.840 -3.175) 6.521 12.092 ( -3.008 -1.737 -2.403) 4.223 12.092 ( -3.008 1.737 -2.403) 4.223 12.631 ( 9.136 -3.067 4.437) 10.609 12.631 ( 9.136 3.067 4.437) 10.609 13.188 ( -11.174 -2.732 2.104) 11.694 13.188 ( -11.174 2.732 2.104) 11.694 14.767 ( 7.518 -4.423 2.756) 9.147 14.767 ( 7.518 4.423 2.756) 9.147 15.096 ( -4.758 -3.189 1.590) 5.944 15.096 ( -4.758 3.189 1.590) 5.944 19.375 ( 0.286 -2.469 -0.945) 2.659 19.375 ( 0.286 2.469 -0.945) 2.659 19.410 ( -1.075 -5.429 -2.644) 6.133 19.410 ( -1.075 5.429 -2.644) 6.133 20.388 ( 7.419 -2.200 -1.848) 7.956 20.388 ( 7.419 2.200 -1.848) 7.956 20.795 ( -7.174 -2.011 -1.690) 7.640 20.795 ( -7.174 2.011 -1.690) 7.640 22.175 ( 4.633 -0.720 -0.464) 4.712 22.175 ( 4.633 0.720 -0.464) 4.712 22.509 ( -7.458 -0.627 -1.344) 7.604 22.509 ( -7.458 0.627 -1.344) 7.604 23.756 ( 3.400 -1.397 4.905) 6.130 23.756 ( 3.400 1.397 4.905) 6.130 23.853 ( -0.010 -3.078 1.798) 3.565 23.853 ( -0.010 3.078 1.798) 3.565 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -5.627 -2.877 -1.620) 6.525 2.468 ( 4.135 -2.153 -1.620) 4.935 2.468 ( -4.135 2.153 -1.620) 4.935 2.468 ( 5.627 2.877 -1.620) 6.525 2.752 ( -2.545 -6.737 4.349) 8.413 2.752 ( 2.470 -6.730 4.349) 8.385 2.752 ( -2.470 6.730 4.349) 8.385 2.752 ( 2.545 6.737 4.349) 8.413 3.647 ( -2.526 -5.738 -0.423) 6.284 3.647 ( -0.286 -5.599 -0.423) 5.622 3.647 ( 0.286 5.599 -0.423) 5.622 3.647 ( 2.526 5.738 -0.423) 6.284 4.002 ( -1.705 -11.928 4.495) 12.861 4.002 ( 1.615 -11.925 4.495) 12.846 4.002 ( -1.615 11.925 4.495) 12.846 4.002 ( 1.705 11.928 4.495) 12.861 4.283 ( -1.343 -8.465 -0.908) 8.619 4.283 ( 1.334 -8.465 -0.908) 8.617 4.283 ( -1.334 8.465 -0.908) 8.617 4.283 ( 1.343 8.465 -0.908) 8.619 4.983 ( -3.721 -3.383 -0.242) 5.035 4.983 ( 2.472 -3.084 -0.242) 3.960 4.983 ( -2.472 3.084 -0.242) 3.960 4.983 ( 3.721 3.383 -0.242) 5.035 5.460 ( -2.325 -9.613 -6.001) 11.568 5.460 ( -0.846 -9.552 -6.001) 11.312 5.460 ( 0.846 9.552 -6.001) 11.312 5.460 ( 2.325 9.613 -6.001) 11.568 6.268 ( -4.367 -6.630 -2.916) 8.457 6.268 ( -3.220 -6.464 -2.916) 7.788 6.268 ( 3.220 6.464 -2.916) 7.788 6.268 ( 4.367 6.630 -2.916) 8.457 6.944 ( -6.801 -7.850 0.883) 10.424 6.944 ( 2.451 -7.180 0.883) 7.638 6.944 ( -2.451 7.180 0.883) 7.638 6.944 ( 6.801 7.850 0.883) 10.424 7.290 ( -4.691 -2.407 -1.225) 5.413 7.290 ( -4.221 -2.179 -1.225) 4.905 7.290 ( 4.221 2.179 -1.225) 4.905 7.290 ( 4.691 2.407 -1.225) 5.413 8.244 ( -2.018 -5.822 0.008) 6.162 8.244 ( 0.753 -5.746 0.008) 5.795 8.244 ( -0.753 5.746 0.008) 5.795 8.244 ( 2.018 5.822 0.008) 6.162 8.720 ( -5.208 -3.000 1.244) 6.138 8.720 ( 1.917 -1.772 1.244) 2.892 8.720 ( -1.917 1.772 1.244) 2.892 8.720 ( 5.208 3.000 1.244) 6.138 9.877 ( -1.623 -13.320 -2.647) 13.677 9.877 ( 1.226 -13.309 -2.647) 13.625 9.877 ( -1.226 13.309 -2.647) 13.625 9.877 ( 1.623 13.320 -2.647) 13.677 11.069 ( -0.983 -5.013 -0.841) 5.177 11.069 ( 0.743 -5.003 -0.841) 5.127 11.069 ( -0.743 5.003 -0.841) 5.127 11.069 ( 0.983 5.013 -0.841) 5.177 11.990 ( -3.004 -8.083 -2.586) 9.003 11.990 ( -0.562 -7.947 -2.586) 8.376 11.990 ( 0.562 7.947 -2.586) 8.376 11.990 ( 3.004 8.083 -2.586) 9.003 12.897 ( -10.420 -8.011 3.250) 13.540 12.897 ( -5.706 -6.721 3.250) 9.397 12.897 ( 5.706 6.721 3.250) 9.397 12.897 ( 10.420 8.011 3.250) 13.540 14.950 ( -5.582 -8.610 2.134) 10.481 14.950 ( -0.218 -8.146 2.134) 8.424 14.950 ( 0.218 8.146 2.134) 8.424 14.950 ( 5.582 8.610 2.134) 10.481 19.387 ( -0.738 -4.881 -1.707) 5.223 19.387 ( 0.695 -4.879 -1.707) 5.216 19.387 ( -0.695 4.879 -1.707) 5.216 19.387 ( 0.738 4.881 -1.707) 5.223 20.593 ( -7.965 -5.896 -1.724) 10.059 20.593 ( -3.801 -4.745 -1.724) 6.319 20.593 ( 3.801 4.745 -1.724) 6.319 20.593 ( 7.965 5.896 -1.724) 10.059 22.323 ( -7.793 -1.315 -1.051) 7.973 22.323 ( -7.356 -0.272 -1.051) 7.436 22.323 ( 7.356 0.272 -1.051) 7.436 22.323 ( 7.793 1.315 -1.051) 7.973 23.827 ( -1.590 -4.331 3.294) 5.669 23.827 ( 0.535 -4.266 3.294) 5.416 23.827 ( -0.535 4.266 3.294) 5.416 23.827 ( 1.590 4.331 3.294) 5.669 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 0.000 -6.617) 6.617 2.223 ( 0.000 0.000 6.617) 6.617 2.340 ( 0.000 0.000 -11.306) 11.306 2.340 ( 0.000 0.000 11.306) 11.306 2.400 ( 0.000 0.000 -13.597) 13.597 2.400 ( 0.000 0.000 13.597) 13.597 2.703 ( 0.000 0.000 -5.065) 5.065 2.703 ( 0.000 0.000 5.065) 5.065 2.960 ( 0.000 0.000 -6.399) 6.399 2.960 ( 0.000 0.000 6.399) 6.399 3.077 ( 0.000 0.000 -2.880) 2.880 3.077 ( 0.000 0.000 2.880) 2.880 3.720 ( 0.000 0.000 -0.420) 0.420 3.720 ( 0.000 0.000 0.420) 0.420 4.100 ( 0.000 0.000 -1.767) 1.767 4.100 ( 0.000 0.000 1.767) 1.767 4.379 ( 0.000 0.000 -6.178) 6.178 4.379 ( 0.000 0.000 6.178) 6.178 4.520 ( 0.000 0.000 -3.947) 3.947 4.520 ( 0.000 0.000 3.947) 3.947 4.635 ( 0.000 0.000 -2.116) 2.116 4.635 ( 0.000 0.000 2.116) 2.116 5.101 ( 0.000 0.000 -2.630) 2.630 5.101 ( 0.000 0.000 2.630) 2.630 5.379 ( 0.000 0.000 -19.418) 19.418 5.379 ( 0.000 0.000 19.418) 19.418 6.090 ( 0.000 0.000 -8.897) 8.897 6.090 ( 0.000 0.000 8.897) 8.897 6.112 ( 0.000 0.000 -7.022) 7.022 6.112 ( 0.000 0.000 7.022) 7.022 6.346 ( 0.000 0.000 -9.612) 9.612 6.346 ( 0.000 0.000 9.612) 9.612 6.360 ( 0.000 0.000 -3.194) 3.194 6.360 ( 0.000 0.000 3.194) 3.194 6.875 ( 0.000 0.000 -0.105) 0.105 6.875 ( 0.000 0.000 0.105) 0.105 6.951 ( 0.000 0.000 -2.811) 2.811 6.951 ( 0.000 0.000 2.811) 2.811 8.255 ( 0.000 0.000 -1.524) 1.524 8.255 ( 0.000 0.000 1.524) 1.524 8.317 ( 0.000 0.000 -2.630) 2.630 8.317 ( 0.000 0.000 2.630) 2.630 8.392 ( 0.000 0.000 -12.134) 12.134 8.392 ( 0.000 0.000 12.134) 12.134 8.666 ( 0.000 0.000 -3.066) 3.066 8.666 ( 0.000 0.000 3.066) 3.066 8.760 ( 0.000 0.000 -0.879) 0.879 8.760 ( 0.000 0.000 0.879) 0.879 9.269 ( 0.000 0.000 -2.828) 2.828 9.269 ( 0.000 0.000 2.828) 2.828 10.389 ( 0.000 0.000 -2.313) 2.313 10.389 ( 0.000 0.000 2.313) 2.313 10.816 ( 0.000 0.000 -0.195) 0.195 10.816 ( 0.000 0.000 0.195) 0.195 11.427 ( 0.000 0.000 -1.411) 1.411 11.427 ( 0.000 0.000 1.411) 1.411 11.709 ( 0.000 0.000 -5.774) 5.774 11.709 ( 0.000 0.000 5.774) 5.774 11.965 ( 0.000 0.000 -6.728) 6.728 11.965 ( 0.000 0.000 6.728) 6.728 12.375 ( 0.000 0.000 -5.529) 5.529 12.375 ( 0.000 0.000 5.529) 5.529 13.247 ( 0.000 0.000 -4.152) 4.152 13.247 ( 0.000 0.000 4.152) 4.152 14.747 ( 0.000 0.000 -11.986) 11.986 14.747 ( 0.000 0.000 11.986) 11.986 15.717 ( 0.000 0.000 -2.704) 2.704 15.717 ( 0.000 0.000 2.704) 2.704 18.644 ( 0.000 0.000 -0.608) 0.608 18.644 ( 0.000 0.000 0.608) 0.608 18.670 ( 0.000 0.000 -0.529) 0.529 18.670 ( 0.000 0.000 0.529) 0.529 20.540 ( 0.000 0.000 -1.523) 1.523 20.540 ( 0.000 0.000 1.523) 1.523 21.101 ( 0.000 0.000 -3.567) 3.567 21.101 ( 0.000 0.000 3.567) 3.567 22.110 ( 0.000 0.000 -1.416) 1.416 22.110 ( 0.000 0.000 1.416) 1.416 22.615 ( 0.000 0.000 -1.821) 1.821 22.615 ( 0.000 0.000 1.821) 1.821 23.841 ( 0.000 0.000 -2.153) 2.153 23.841 ( 0.000 0.000 2.153) 2.153 24.008 ( 0.000 0.000 -12.154) 12.154 24.008 ( 0.000 0.000 12.154) 12.154 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.221 0.000 -5.153) 5.296 2.203 ( -1.221 0.000 5.153) 5.296 2.366 ( 1.668 0.000 -7.764) 7.941 2.366 ( 1.668 0.000 7.764) 7.941 2.437 ( 2.681 0.000 -10.085) 10.436 2.437 ( 2.681 0.000 10.086) 10.436 2.668 ( -12.474 0.000 -0.545) 12.486 2.668 ( -12.474 0.000 0.545) 12.486 2.696 ( -0.535 0.000 -3.865) 3.901 2.696 ( -0.535 0.000 3.865) 3.901 3.349 ( 10.330 0.000 -2.452) 10.617 3.349 ( 10.330 0.000 2.452) 10.617 3.757 ( 3.590 0.000 -1.505) 3.893 3.757 ( 3.590 0.000 1.505) 3.893 4.116 ( 1.122 0.000 -3.659) 3.827 4.116 ( 1.122 0.000 3.659) 3.827 4.408 ( 2.581 0.000 -8.710) 9.084 4.408 ( 2.581 0.000 8.710) 9.084 4.516 ( -0.538 0.000 -3.516) 3.557 4.516 ( -0.538 0.000 3.516) 3.557 4.593 ( -3.527 0.000 -4.802) 5.959 4.593 ( -3.527 0.000 4.802) 5.959 5.054 ( -3.089 0.000 -1.764) 3.557 5.054 ( -3.089 0.000 1.764) 3.557 5.373 ( -1.015 0.000 -15.635) 15.668 5.373 ( -1.015 0.000 15.635) 15.668 5.956 ( -6.946 0.000 -11.060) 13.060 5.956 ( -6.946 0.000 11.060) 13.060 6.145 ( 2.890 0.000 -6.689) 7.286 6.145 ( 2.890 0.000 6.689) 7.286 6.321 ( -3.277 0.000 -4.044) 5.205 6.321 ( -3.277 0.000 4.044) 5.205 6.481 ( 7.245 0.000 -4.618) 8.592 6.481 ( 7.245 0.000 4.618) 8.592 6.876 ( 0.010 0.000 -0.083) 0.084 6.876 ( 0.010 0.000 0.083) 0.084 6.965 ( 0.976 0.000 -2.053) 2.273 6.965 ( 0.976 0.000 2.053) 2.273 8.242 ( -0.245 0.000 -2.681) 2.692 8.242 ( -0.245 0.000 2.681) 2.692 8.324 ( -0.215 0.000 -2.884) 2.892 8.324 ( -0.215 0.000 2.884) 2.892 8.430 ( 3.193 0.000 -10.719) 11.185 8.430 ( 3.193 0.000 10.719) 11.185 8.634 ( -2.773 0.000 -4.828) 5.568 8.634 ( -2.773 0.000 4.828) 5.568 8.776 ( 1.132 0.000 -0.732) 1.348 8.776 ( 1.132 0.000 0.732) 1.348 9.269 ( 0.053 0.000 -1.988) 1.989 9.269 ( 0.053 0.000 1.988) 1.989 10.387 ( -0.103 0.000 -1.631) 1.634 10.387 ( -0.103 0.000 1.631) 1.634 10.864 ( 3.772 0.000 -0.306) 3.784 10.864 ( 3.772 0.000 0.306) 3.784 11.375 ( -3.986 0.000 -0.924) 4.091 11.375 ( -3.986 0.000 0.924) 4.091 11.728 ( 1.300 0.000 -3.653) 3.877 11.728 ( 1.300 0.000 3.653) 3.877 11.965 ( 0.052 0.000 -4.756) 4.756 11.965 ( 0.052 0.000 4.756) 4.756 12.376 ( 0.014 0.000 -3.911) 3.911 12.376 ( 0.014 0.000 3.911) 3.911 13.225 ( -1.608 0.000 -2.925) 3.338 13.225 ( -1.608 0.000 2.925) 3.338 14.767 ( 1.510 0.000 -8.774) 8.903 14.767 ( 1.510 0.000 8.774) 8.903 15.691 ( -1.875 0.000 -2.452) 3.086 15.691 ( -1.875 0.000 2.452) 3.086 18.643 ( -0.010 0.000 -0.428) 0.428 18.643 ( -0.010 0.000 0.428) 0.428 18.670 ( 0.013 0.000 -0.372) 0.373 18.670 ( 0.013 0.000 0.372) 0.373 20.607 ( 5.502 0.000 -2.925) 6.231 20.607 ( 5.502 0.000 2.925) 6.231 21.040 ( -5.066 0.000 -4.317) 6.656 21.040 ( -5.066 0.000 4.317) 6.656 22.144 ( 3.094 0.000 -1.637) 3.501 22.144 ( 3.094 0.000 1.637) 3.501 22.527 ( -6.911 0.000 -1.625) 7.100 22.527 ( -6.911 0.000 1.625) 7.100 23.811 ( -1.074 0.000 -0.771) 1.322 23.811 ( -1.074 0.000 0.771) 1.322 24.092 ( 4.886 0.000 -6.329) 7.995 24.092 ( 4.886 0.000 6.329) 7.995 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 -0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 -0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 -0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 3.456 ( -0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.824 ( -0.000 0.000 0.000) 0.000 4.132 ( -0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.474 ( -0.000 0.000 -0.000) 0.000 4.474 ( 0.000 0.000 -0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.514 ( -0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 5.015 ( -0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.350 ( -0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.876 ( -0.000 0.000 -0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.218 ( -0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 -0.000) 0.000 6.243 ( 0.000 0.000 -0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 8.248 ( -0.000 0.000 0.000) 0.000 8.248 ( -0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 -0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 10.386 ( -0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.966 ( -0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.376 ( -0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 14.789 ( -0.000 0.000 0.000) 0.000 14.789 ( 0.000 0.000 0.000) 0.000 15.665 ( -0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 18.643 ( 0.000 0.000 0.000) 0.000 18.643 ( 0.000 0.000 0.000) 0.000 18.670 ( 0.000 0.000 0.000) 0.000 18.670 ( 0.000 0.000 0.000) 0.000 20.706 ( 0.000 0.000 0.000) 0.000 20.706 ( 0.000 0.000 0.000) 0.000 20.947 ( -0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 22.210 ( 0.000 0.000 0.000) 0.000 22.210 ( -0.000 0.000 0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 23.803 ( -0.000 0.000 0.000) 0.000 23.803 ( 0.000 0.000 0.000) 0.000 24.153 ( 0.000 0.000 0.000) 0.000 24.153 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.000 4.870 -3.880) 6.226 2.294 ( 0.000 4.870 3.880) 6.226 2.436 ( 0.000 6.506 -0.560) 6.530 2.436 ( 0.000 6.506 0.560) 6.530 2.502 ( 0.000 13.061 -2.193) 13.243 2.502 ( 0.000 13.061 2.193) 13.243 2.807 ( 0.000 7.554 -4.568) 8.828 2.807 ( 0.000 7.554 4.568) 8.828 2.997 ( 0.000 5.275 -5.794) 7.836 2.997 ( 0.000 5.275 5.794) 7.836 3.082 ( 0.000 1.911 -2.803) 3.392 3.082 ( 0.000 1.911 2.803) 3.392 3.679 ( 0.000 -3.877 -0.228) 3.883 3.679 ( 0.000 -3.877 0.228) 3.883 4.076 ( 0.000 -2.390 -1.688) 2.926 4.076 ( 0.000 -2.390 1.688) 2.926 4.310 ( 0.000 -4.535 -7.498) 8.763 4.310 ( 0.000 -4.535 7.498) 8.763 4.608 ( 0.000 7.272 -4.628) 8.619 4.608 ( 0.000 7.272 4.628) 8.620 4.672 ( 0.000 2.573 -1.667) 3.066 4.672 ( 0.000 2.573 1.667) 3.066 5.075 ( 0.000 -2.562 -2.409) 3.516 5.075 ( 0.000 -2.562 2.409) 3.516 5.373 ( 0.000 -0.807 -18.053) 18.071 5.373 ( 0.000 -0.807 18.053) 18.071 5.876 ( 0.000 -11.139 -0.103) 11.139 5.876 ( 0.000 -11.139 0.103) 11.139 6.232 ( 0.000 -5.079 -4.906) 7.062 6.232 ( 0.000 -5.079 4.906) 7.062 6.316 ( 0.000 7.421 -1.558) 7.583 6.316 ( 0.000 7.421 1.558) 7.583 6.420 ( 0.000 3.185 -2.166) 3.852 6.420 ( 0.000 3.185 2.166) 3.852 6.933 ( 0.000 4.874 -4.753) 6.808 6.933 ( 0.000 4.874 4.753) 6.808 6.995 ( 0.000 4.557 -2.474) 5.186 6.995 ( 0.000 4.557 2.474) 5.186 8.163 ( 0.000 -11.657 -0.365) 11.663 8.163 ( 0.000 -11.657 0.365) 11.663 8.235 ( 0.000 -3.791 -0.223) 3.798 8.235 ( 0.000 -3.791 0.223) 3.798 8.419 ( 0.000 1.632 -9.794) 9.929 8.419 ( 0.000 1.632 9.794) 9.929 8.673 ( 0.000 -2.990 -1.552) 3.369 8.673 ( 0.000 -2.990 1.552) 3.369 8.729 ( 0.000 0.894 -0.044) 0.895 8.729 ( 0.000 0.894 0.044) 0.895 9.332 ( 0.000 5.533 -2.479) 6.063 9.332 ( 0.000 5.533 2.479) 6.063 10.357 ( 0.000 -3.184 -0.569) 3.234 10.357 ( 0.000 -3.184 0.569) 3.234 10.841 ( 0.000 2.274 -0.074) 2.275 10.841 ( 0.000 2.274 0.074) 2.275 11.405 ( 0.000 -2.308 -1.276) 2.637 11.405 ( 0.000 -2.308 1.276) 2.637 11.706 ( 0.000 0.095 -2.183) 2.185 11.706 ( 0.000 0.095 2.183) 2.185 11.991 ( 0.000 2.370 -4.992) 5.526 11.991 ( 0.000 2.370 4.992) 5.526 12.410 ( 0.000 3.291 -3.172) 4.570 12.410 ( 0.000 3.291 3.172) 4.570 13.251 ( 0.000 0.489 -4.396) 4.423 13.251 ( 0.000 0.489 4.396) 4.423 14.739 ( 0.000 -0.673 -11.133) 11.153 14.739 ( 0.000 -0.673 11.133) 11.153 15.627 ( 0.000 -8.499 -3.357) 9.138 15.627 ( 0.000 -8.499 3.357) 9.138 18.746 ( 0.000 8.780 -0.499) 8.794 18.746 ( 0.000 8.780 0.499) 8.794 18.780 ( 0.000 11.540 -2.040) 11.719 18.780 ( 0.000 11.540 2.040) 11.719 20.507 ( 0.000 -3.209 -1.667) 3.616 20.507 ( 0.000 -3.209 1.667) 3.616 21.078 ( 0.000 -2.386 -3.196) 3.989 21.078 ( 0.000 -2.386 3.196) 3.989 22.113 ( 0.000 0.206 -1.338) 1.354 22.113 ( 0.000 0.206 1.338) 1.354 22.611 ( 0.000 -0.420 -1.661) 1.713 22.611 ( 0.000 -0.420 1.661) 1.713 23.830 ( 0.000 -1.059 -1.908) 2.182 23.830 ( 0.000 -1.059 1.908) 2.183 23.984 ( 0.000 -2.280 -10.969) 11.203 23.984 ( 0.000 -2.280 10.969) 11.203 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.260 5.752 -3.772) 6.993 2.306 ( 1.260 5.752 3.772) 6.993 2.445 ( -0.361 6.944 -7.105) 9.942 2.445 ( -0.361 6.944 7.105) 9.942 2.497 ( 0.027 8.465 -4.582) 9.626 2.497 ( 0.027 8.465 4.582) 9.626 2.682 ( -11.143 2.414 -1.210) 11.466 2.682 ( -11.143 2.414 1.210) 11.466 2.842 ( 0.030 13.640 -3.380) 14.053 2.842 ( 0.030 13.640 3.380) 14.053 3.348 ( 9.679 0.480 -2.168) 9.931 3.348 ( 9.679 0.480 2.168) 9.931 3.701 ( 2.210 -4.921 -1.543) 5.611 3.701 ( 2.210 -4.921 1.543) 5.611 4.099 ( 1.859 -1.808 -3.076) 4.024 4.099 ( 1.859 -1.808 3.076) 4.024 4.329 ( 1.359 -4.827 -6.681) 8.353 4.329 ( 1.359 -4.827 6.681) 8.353 4.609 ( -0.272 7.272 -5.028) 8.846 4.609 ( -0.272 7.272 5.028) 8.846 4.645 ( -1.853 3.516 -3.490) 5.289 4.645 ( -1.853 3.516 3.490) 5.289 5.044 ( -1.995 -0.959 -1.529) 2.690 5.044 ( -1.995 -0.959 1.529) 2.690 5.349 ( -2.166 -2.330 -13.923) 14.282 5.349 ( -2.166 -2.330 13.923) 14.282 5.843 ( -2.096 -8.159 -4.466) 9.534 5.843 ( -2.096 -8.159 4.466) 9.534 6.204 ( -0.575 -0.128 -0.811) 1.002 6.204 ( -0.575 -0.128 0.811) 1.002 6.321 ( -0.846 2.628 -1.599) 3.190 6.321 ( -0.846 2.628 1.599) 3.190 6.486 ( 4.293 1.736 -2.899) 5.463 6.486 ( 4.293 1.736 2.899) 5.463 6.943 ( 1.121 4.277 -5.167) 6.800 6.943 ( 1.121 4.277 5.167) 6.800 6.996 ( -0.177 4.434 -3.627) 5.731 6.996 ( -0.177 4.434 3.627) 5.731 8.136 ( -1.288 -10.964 -0.827) 11.071 8.136 ( -1.288 -10.964 0.827) 11.071 8.250 ( 0.372 -5.115 -2.703) 5.797 8.250 ( 0.372 -5.115 2.703) 5.797 8.452 ( 2.825 1.426 -8.451) 9.024 8.452 ( 2.825 1.426 8.451) 9.024 8.658 ( -1.622 0.178 -4.104) 4.416 8.658 ( -1.622 0.178 4.104) 4.416 8.728 ( 0.092 -2.279 -2.521) 3.400 8.728 ( 0.092 -2.279 2.521) 3.400 9.333 ( 0.097 5.546 -1.739) 5.813 9.333 ( 0.097 5.546 1.739) 5.813 10.366 ( 0.608 -2.425 -0.485) 2.547 10.366 ( 0.608 -2.425 0.485) 2.547 10.872 ( 2.534 0.929 -0.173) 2.704 10.872 ( 2.534 0.929 0.173) 2.704 11.354 ( -3.832 -2.153 -0.911) 4.489 11.354 ( -3.832 -2.153 0.911) 4.489 11.702 ( -0.163 -1.071 -1.499) 1.850 11.702 ( -0.163 -1.071 1.499) 1.850 12.053 ( 4.589 6.621 -4.305) 9.134 12.053 ( 4.589 6.621 4.305) 9.134 12.383 ( -2.254 1.288 -2.686) 3.736 12.383 ( -2.254 1.288 2.686) 3.736 13.223 ( -2.019 -0.185 -3.100) 3.704 13.223 ( -2.019 -0.185 3.100) 3.704 14.763 ( 1.693 -0.366 -8.146) 8.328 14.763 ( 1.693 -0.366 8.146) 8.328 15.604 ( -1.666 -8.270 -2.796) 8.888 15.604 ( -1.666 -8.270 2.796) 8.888 18.749 ( 0.254 8.626 -0.623) 8.652 18.749 ( 0.254 8.626 0.623) 8.652 18.775 ( -0.348 11.580 -1.662) 11.704 18.775 ( -0.348 11.580 1.662) 11.704 20.575 ( 5.506 -3.189 -2.842) 6.968 20.575 ( 5.506 -3.189 2.842) 6.968 21.016 ( -5.159 -2.526 -3.991) 6.995 21.016 ( -5.159 -2.526 3.991) 6.995 22.148 ( 3.237 0.371 -1.542) 3.605 22.148 ( 3.237 0.371 1.542) 3.605 22.522 ( -6.952 -0.448 -1.493) 7.125 22.522 ( -6.952 -0.448 1.493) 7.125 23.805 ( -0.812 -0.518 -0.647) 1.161 23.805 ( -0.812 -0.518 0.647) 1.161 24.063 ( 4.572 -2.887 -5.719) 7.871 24.063 ( 4.572 -2.887 5.719) 7.871 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 9.675 0.000) 9.675 2.336 ( 0.000 9.675 0.000) 9.675 2.414 ( -0.000 1.601 -0.000) 1.601 2.414 ( 0.000 1.601 0.000) 1.601 2.515 ( 0.000 6.731 -0.000) 6.731 2.515 ( 0.000 6.731 0.000) 6.731 2.541 ( -0.000 3.808 0.000) 3.808 2.541 ( -0.000 3.808 0.000) 3.808 2.850 ( 0.000 15.055 0.000) 15.055 2.850 ( 0.000 15.055 0.000) 15.055 3.447 ( -0.000 -0.613 0.000) 0.613 3.447 ( 0.000 -0.613 0.000) 0.613 3.742 ( -0.000 -6.442 0.000) 6.442 3.742 ( -0.000 -6.442 0.000) 6.442 4.132 ( -0.000 -0.763 0.000) 0.763 4.132 ( 0.000 -0.763 0.000) 0.763 4.346 ( 0.000 -5.917 0.000) 5.917 4.346 ( 0.000 -5.917 0.000) 5.917 4.607 ( -0.000 8.883 -0.000) 8.883 4.607 ( -0.000 8.883 0.000) 8.883 4.611 ( 0.000 3.601 -0.000) 3.601 4.611 ( 0.000 3.601 0.000) 3.601 5.021 ( -0.000 0.625 0.000) 0.625 5.021 ( -0.000 0.625 0.000) 0.625 5.311 ( 0.000 -3.654 0.000) 3.654 5.311 ( 0.000 -3.654 0.000) 3.654 5.817 ( -0.000 -5.247 -0.000) 5.247 5.817 ( 0.000 -5.247 0.000) 5.247 6.207 ( -0.000 -1.813 0.000) 1.813 6.207 ( 0.000 -1.813 0.000) 1.813 6.302 ( 0.000 4.919 -0.000) 4.919 6.302 ( 0.000 4.919 -0.000) 4.919 6.540 ( 0.000 -0.371 0.000) 0.371 6.540 ( 0.000 -0.371 0.000) 0.371 6.975 ( -0.000 -0.060 0.000) 0.060 6.975 ( 0.000 -0.060 0.000) 0.060 6.979 ( -0.000 8.234 -0.000) 8.234 6.979 ( 0.000 8.234 -0.000) 8.234 8.123 ( -0.000 -11.676 0.000) 11.676 8.123 ( 0.000 -11.676 0.000) 11.676 8.250 ( -0.000 -4.983 0.000) 4.983 8.250 ( 0.000 -4.983 0.000) 4.983 8.502 ( 0.000 0.289 0.000) 0.289 8.502 ( 0.000 0.289 0.000) 0.289 8.624 ( 0.000 3.586 0.000) 3.586 8.624 ( 0.000 3.586 0.000) 3.586 8.731 ( 0.000 -4.852 0.000) 4.852 8.731 ( 0.000 -4.852 0.000) 4.852 9.335 ( 0.000 5.560 0.000) 5.560 9.335 ( 0.000 5.560 0.000) 5.560 10.374 ( 0.000 -1.640 0.000) 1.640 10.374 ( 0.000 -1.640 0.000) 1.640 10.913 ( 0.000 -0.773 0.000) 0.773 10.913 ( 0.000 -0.773 0.000) 0.773 11.296 ( 0.000 -1.675 0.000) 1.675 11.296 ( 0.000 -1.675 0.000) 1.675 11.701 ( 0.000 -1.751 0.000) 1.751 11.701 ( 0.000 -1.751 0.000) 1.751 12.124 ( -0.000 12.953 0.000) 12.953 12.124 ( 0.000 12.953 0.000) 12.953 12.343 ( -0.000 -3.259 0.000) 3.259 12.343 ( 0.000 -3.259 0.000) 3.259 13.194 ( 0.000 -0.872 0.000) 0.872 13.194 ( 0.000 -0.872 0.000) 0.872 14.787 ( 0.000 -0.057 0.000) 0.057 14.787 ( 0.000 -0.057 0.000) 0.057 15.580 ( -0.000 -8.058 0.000) 8.058 15.580 ( 0.000 -8.058 0.000) 8.058 18.753 ( -0.000 8.108 -0.000) 8.108 18.753 ( 0.000 8.108 -0.000) 8.108 18.770 ( -0.000 11.987 0.000) 11.987 18.770 ( 0.000 11.987 0.000) 11.987 20.673 ( 0.000 -3.168 0.000) 3.168 20.673 ( 0.000 -3.168 0.000) 3.168 20.921 ( -0.000 -2.660 0.000) 2.660 20.921 ( 0.000 -2.660 0.000) 2.660 22.217 ( 0.000 0.791 0.000) 0.791 22.217 ( -0.000 0.791 0.000) 0.791 22.401 ( 0.000 -0.722 0.000) 0.722 22.401 ( 0.000 -0.722 0.000) 0.722 23.800 ( -0.000 -0.221 0.000) 0.221 23.800 ( 0.000 -0.221 0.000) 0.221 24.120 ( 0.000 -3.266 0.000) 3.266 24.120 ( 0.000 -3.266 0.000) 3.266 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.000 4.321 -2.754) 5.124 2.379 ( 0.000 4.321 2.754) 5.124 2.594 ( 0.000 7.840 -5.759) 9.728 2.594 ( 0.000 7.840 5.759) 9.728 2.745 ( 0.000 5.721 -2.928) 6.426 2.745 ( 0.000 5.721 2.928) 6.426 2.882 ( 0.000 4.142 -4.667) 6.239 2.882 ( 0.000 4.142 4.667) 6.239 3.171 ( 0.000 10.984 -4.620) 11.916 3.171 ( 0.000 10.984 4.620) 11.916 3.287 ( 0.000 17.557 -3.772) 17.957 3.287 ( 0.000 17.557 3.772) 17.957 3.593 ( 0.000 -3.389 -1.231) 3.605 3.593 ( 0.000 -3.389 1.231) 3.605 4.011 ( 0.000 -4.164 -1.114) 4.311 4.011 ( 0.000 -4.164 1.114) 4.311 4.254 ( 0.000 -0.612 -10.694) 10.711 4.254 ( 0.000 -0.612 10.694) 10.711 4.651 ( 0.000 -3.278 -4.041) 5.203 4.651 ( 0.000 -3.278 4.041) 5.203 4.811 ( 0.000 9.857 -0.315) 9.862 4.811 ( 0.000 9.857 0.315) 9.862 5.018 ( 0.000 -1.834 -1.714) 2.510 5.018 ( 0.000 -1.834 1.714) 2.510 5.325 ( 0.000 -4.817 -11.896) 12.834 5.325 ( 0.000 -4.817 11.896) 12.834 5.699 ( 0.000 -5.953 -4.262) 7.321 5.699 ( 0.000 -5.953 4.262) 7.321 6.098 ( 0.000 -6.785 -4.764) 8.291 6.098 ( 0.000 -6.785 4.764) 8.291 6.449 ( 0.000 3.694 -3.928) 5.392 6.449 ( 0.000 3.694 3.928) 5.392 6.492 ( 0.000 5.220 -4.207) 6.704 6.492 ( 0.000 5.220 4.207) 6.704 7.039 ( 0.000 5.669 -6.587) 8.691 7.039 ( 0.000 5.669 6.587) 8.691 7.108 ( 0.000 5.663 -5.083) 7.609 7.108 ( 0.000 5.663 5.083) 7.609 7.868 ( 0.000 -16.831 -0.868) 16.853 7.868 ( 0.000 -16.831 0.868) 16.853 8.165 ( 0.000 -3.014 -0.105) 3.016 8.165 ( 0.000 -3.014 0.105) 3.016 8.445 ( 0.000 0.258 -5.013) 5.020 8.445 ( 0.000 0.258 5.013) 5.020 8.579 ( 0.000 -4.078 -3.793) 5.570 8.579 ( 0.000 -4.078 3.793) 5.570 8.789 ( 0.000 3.584 -2.150) 4.180 8.789 ( 0.000 3.584 2.150) 4.180 9.460 ( 0.000 7.340 -2.073) 7.627 9.460 ( 0.000 7.340 2.073) 7.627 10.260 ( 0.000 -6.901 -2.113) 7.217 10.260 ( 0.000 -6.901 2.113) 7.217 10.898 ( 0.000 3.547 -0.343) 3.564 10.898 ( 0.000 3.547 0.343) 3.564 11.334 ( 0.000 -4.778 -0.476) 4.802 11.334 ( 0.000 -4.778 0.476) 4.802 11.722 ( 0.000 1.424 -2.630) 2.991 11.722 ( 0.000 1.424 2.630) 2.991 12.043 ( 0.000 2.644 -2.254) 3.474 12.043 ( 0.000 2.644 2.254) 3.474 12.487 ( 0.000 4.022 -0.814) 4.103 12.487 ( 0.000 4.022 0.814) 4.103 13.272 ( 0.000 1.760 -4.466) 4.800 13.272 ( 0.000 1.760 4.466) 4.800 14.723 ( 0.000 -0.858 -8.657) 8.699 14.723 ( 0.000 -0.858 8.657) 8.699 15.425 ( 0.000 -10.893 -3.830) 11.547 15.425 ( 0.000 -10.893 3.830) 11.547 18.965 ( 0.000 12.919 -0.876) 12.949 18.965 ( 0.000 12.919 0.876) 12.949 19.064 ( 0.000 15.544 -3.709) 15.981 19.064 ( 0.000 15.544 3.709) 15.981 20.422 ( 0.000 -5.156 -1.944) 5.511 20.422 ( 0.000 -5.156 1.944) 5.511 21.009 ( 0.000 -4.488 -2.198) 4.998 21.009 ( 0.000 -4.488 2.198) 4.998 22.117 ( 0.000 0.249 -1.075) 1.104 22.117 ( 0.000 0.249 1.075) 1.104 22.600 ( 0.000 -0.557 -1.229) 1.349 22.600 ( 0.000 -0.557 1.229) 1.349 23.804 ( 0.000 -1.452 -1.278) 1.934 23.804 ( 0.000 -1.452 1.278) 1.934 23.929 ( 0.000 -3.022 -7.981) 8.534 23.929 ( 0.000 -3.022 7.981) 8.534 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.262 2.763 -3.202) 4.237 2.375 ( 0.262 2.763 3.202) 4.237 2.543 ( -5.342 2.691 -4.761) 7.645 2.543 ( -5.342 2.691 4.761) 7.645 2.672 ( -2.676 5.700 -1.207) 6.411 2.672 ( -2.676 5.700 1.207) 6.411 2.838 ( -4.732 10.807 -4.670) 12.688 2.838 ( -4.732 10.807 4.670) 12.688 3.158 ( 3.704 16.010 -3.704) 16.845 3.158 ( 3.704 16.010 3.704) 16.845 3.421 ( 4.147 8.452 -0.706) 9.442 3.421 ( 4.147 8.452 0.706) 9.442 3.620 ( 2.818 -1.117 -1.457) 3.363 3.620 ( 2.818 -1.117 1.457) 3.363 4.048 ( 2.949 -3.135 -2.363) 4.910 4.048 ( 2.949 -3.135 2.364) 4.910 4.264 ( 0.576 -1.481 -7.988) 8.144 4.264 ( 0.576 -1.481 7.988) 8.144 4.629 ( -1.674 -3.748 -1.556) 4.390 4.629 ( -1.674 -3.748 1.556) 4.390 4.814 ( 0.618 10.320 -2.690) 10.683 4.814 ( 0.618 10.320 2.690) 10.683 5.024 ( 0.276 -0.182 -1.583) 1.617 5.024 ( 0.276 -0.182 1.583) 1.617 5.278 ( -3.542 -5.087 -8.727) 10.705 5.278 ( -3.542 -5.087 8.727) 10.705 5.696 ( -0.136 -6.153 -3.464) 7.063 5.696 ( -0.136 -6.153 3.464) 7.063 6.122 ( 1.854 -5.157 -2.678) 6.100 6.122 ( 1.854 -5.157 2.678) 6.100 6.413 ( -2.018 3.741 -3.490) 5.500 6.413 ( -2.018 3.741 3.490) 5.500 6.554 ( 3.549 4.887 -4.255) 7.388 6.554 ( 3.549 4.887 4.255) 7.388 7.014 ( -1.750 4.070 -5.487) 7.052 7.014 ( -1.750 4.070 5.487) 7.052 7.121 ( 1.019 6.099 -3.822) 7.269 7.121 ( 1.019 6.099 3.822) 7.269 7.848 ( -1.443 -17.010 -0.645) 17.083 7.848 ( -1.443 -17.010 0.645) 17.083 8.165 ( -0.018 -3.063 -1.804) 3.555 8.165 ( -0.018 -3.063 1.804) 3.555 8.462 ( 1.080 -1.498 -3.600) 4.046 8.462 ( 1.080 -1.498 3.600) 4.046 8.600 ( 2.159 -2.421 -4.777) 5.774 8.600 ( 2.159 -2.421 4.777) 5.774 8.758 ( -2.681 3.016 -2.947) 4.998 8.758 ( -2.681 3.016 2.947) 4.998 9.460 ( 0.044 7.270 -1.461) 7.415 9.460 ( 0.044 7.270 1.461) 7.415 10.277 ( 1.248 -6.928 -1.495) 7.196 10.277 ( 1.248 -6.928 1.495) 7.196 10.905 ( 0.602 2.584 -0.276) 2.668 10.905 ( 0.602 2.584 0.276) 2.668 11.289 ( -3.196 -4.313 -0.348) 5.380 11.289 ( -3.196 -4.313 0.348) 5.380 11.716 ( -0.152 2.478 -1.468) 2.884 11.716 ( -0.152 2.478 1.468) 2.884 12.138 ( 6.980 0.872 -1.267) 7.147 12.138 ( 6.980 0.872 1.267) 7.147 12.460 ( -2.387 6.814 -1.418) 7.357 12.460 ( -2.387 6.814 1.418) 7.357 13.218 ( -3.904 -0.234 -3.335) 5.140 13.218 ( -3.904 -0.234 3.335) 5.140 14.759 ( 2.590 0.190 -6.424) 6.929 14.759 ( 2.590 0.190 6.424) 6.929 15.404 ( -1.594 -11.097 -3.090) 11.628 15.404 ( -1.594 -11.097 3.090) 11.628 18.965 ( -0.060 12.722 -0.614) 12.737 18.965 ( -0.060 12.722 0.614) 12.737 19.061 ( -0.195 15.622 -2.584) 15.835 19.061 ( -0.195 15.622 2.584) 15.835 20.491 ( 5.679 -4.938 -2.619) 7.968 20.491 ( 5.679 -4.938 2.619) 7.968 20.942 ( -5.506 -4.809 -3.116) 7.947 20.942 ( -5.506 -4.809 3.116) 7.947 22.157 ( 3.644 0.527 -1.235) 3.883 22.157 ( 3.644 0.527 1.235) 3.883 22.511 ( -7.086 -0.608 -1.127) 7.200 22.511 ( -7.086 -0.608 1.127) 7.200 23.795 ( -0.039 -0.386 -0.325) 0.507 23.795 ( -0.039 -0.386 0.325) 0.507 23.990 ( 3.642 -4.222 -4.275) 7.026 23.990 ( 3.642 -4.222 4.275) 7.026 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 1.014 -0.000) 1.014 2.408 ( 0.000 1.014 0.000) 1.014 2.433 ( -0.000 0.683 0.000) 0.683 2.433 ( -0.000 0.683 0.000) 0.683 2.644 ( -0.000 5.535 0.000) 5.535 2.644 ( 0.000 5.535 0.000) 5.535 2.779 ( -0.000 12.671 -0.000) 12.671 2.779 ( 0.000 12.671 0.000) 12.671 3.218 ( -0.000 20.643 0.000) 20.643 3.218 ( 0.000 20.643 0.000) 20.643 3.451 ( 0.000 1.611 0.000) 1.611 3.451 ( 0.000 1.611 0.000) 1.611 3.665 ( 0.000 1.134 0.000) 1.134 3.665 ( -0.000 1.134 0.000) 1.134 4.098 ( -0.000 -2.121 0.000) 2.121 4.098 ( 0.000 -2.121 0.000) 2.121 4.266 ( -0.000 -2.416 0.000) 2.416 4.266 ( 0.000 -2.416 0.000) 2.416 4.607 ( 0.000 -4.098 0.000) 4.098 4.607 ( 0.000 -4.098 0.000) 4.098 4.826 ( 0.000 12.241 0.000) 12.241 4.826 ( 0.000 12.241 0.000) 12.241 5.028 ( -0.000 -0.520 0.000) 0.520 5.028 ( 0.000 -0.520 0.000) 0.520 5.224 ( 0.000 -4.472 0.000) 4.472 5.224 ( 0.000 -4.472 0.000) 4.472 5.695 ( 0.000 -6.762 0.000) 6.762 5.695 ( 0.000 -6.762 0.000) 6.762 6.151 ( 0.000 -2.732 0.000) 2.732 6.151 ( 0.000 -2.732 0.000) 2.732 6.384 ( 0.000 2.161 -0.000) 2.161 6.384 ( -0.000 2.161 0.000) 2.161 6.600 ( 0.000 6.033 0.000) 6.033 6.600 ( 0.000 6.033 0.000) 6.033 6.989 ( 0.000 1.786 0.000) 1.786 6.989 ( 0.000 1.786 0.000) 1.786 7.136 ( 0.000 6.874 0.000) 6.874 7.136 ( 0.000 6.874 0.000) 6.874 7.827 ( -0.000 -17.503 0.000) 17.503 7.827 ( 0.000 -17.503 0.000) 17.503 8.164 ( -0.000 -2.839 0.000) 2.839 8.164 ( 0.000 -2.839 0.000) 2.839 8.474 ( 0.000 -3.725 0.000) 3.725 8.474 ( 0.000 -3.725 0.000) 3.725 8.663 ( -0.000 -0.893 0.000) 0.893 8.663 ( 0.000 -0.893 0.000) 0.893 8.691 ( -0.000 2.967 -0.000) 2.967 8.691 ( 0.000 2.967 0.000) 2.967 9.461 ( 0.000 7.199 0.000) 7.199 9.461 ( 0.000 7.199 0.000) 7.199 10.295 ( 0.000 -6.946 0.000) 6.946 10.295 ( 0.000 -6.946 0.000) 6.946 10.915 ( 0.000 1.390 0.000) 1.390 10.915 ( 0.000 1.390 0.000) 1.390 11.244 ( 0.000 -3.576 0.000) 3.576 11.244 ( 0.000 -3.576 0.000) 3.576 11.716 ( 0.000 3.277 0.000) 3.277 11.716 ( 0.000 3.277 0.000) 3.277 12.252 ( -0.000 -5.884 0.000) 5.884 12.252 ( 0.000 -5.884 0.000) 5.884 12.409 ( -0.000 15.205 0.000) 15.205 12.409 ( 0.000 15.205 0.000) 15.205 13.162 ( 0.000 -2.597 0.000) 2.597 13.162 ( 0.000 -2.597 0.000) 2.597 14.796 ( 0.000 1.310 0.000) 1.310 14.796 ( 0.000 1.310 0.000) 1.310 15.380 ( -0.000 -11.428 0.000) 11.428 15.380 ( 0.000 -11.428 0.000) 11.428 18.964 ( 0.000 12.524 -0.000) 12.524 18.964 ( 0.000 12.524 -0.000) 12.524 19.058 ( -0.000 15.703 0.000) 15.703 19.058 ( 0.000 15.703 0.000) 15.703 20.594 ( 0.000 -4.402 0.000) 4.402 20.594 ( 0.000 -4.402 0.000) 4.402 20.842 ( -0.000 -5.440 0.000) 5.440 20.842 ( 0.000 -5.440 0.000) 5.440 22.240 ( 0.000 1.480 0.000) 1.480 22.240 ( 0.000 1.480 0.000) 1.480 22.381 ( 0.000 -1.326 0.000) 1.326 22.381 ( 0.000 -1.326 0.000) 1.326 23.799 ( -0.000 0.205 0.000) 0.205 23.799 ( 0.000 0.205 0.000) 0.205 24.036 ( 0.000 -4.963 0.000) 4.963 24.036 ( 0.000 -4.963 0.000) 4.963 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.000 5.301 -2.741) 5.968 2.474 ( 0.000 5.301 2.741) 5.968 2.683 ( 0.000 -1.703 -4.349) 4.670 2.683 ( 0.000 -1.703 4.349) 4.670 2.733 ( 0.000 0.398 -2.431) 2.463 2.733 ( 0.000 0.398 2.431) 2.463 3.022 ( 0.000 5.955 -2.745) 6.557 3.022 ( 0.000 5.955 2.745) 6.557 3.337 ( 0.000 3.537 -3.552) 5.013 3.337 ( 0.000 3.537 3.552) 5.013 3.562 ( 0.000 8.114 -3.917) 9.010 3.562 ( 0.000 8.114 3.917) 9.010 3.676 ( 0.000 12.272 -0.793) 12.298 3.676 ( 0.000 12.272 0.793) 12.298 3.930 ( 0.000 -3.113 -1.809) 3.601 3.930 ( 0.000 -3.113 1.809) 3.601 4.290 ( 0.000 3.764 -9.998) 10.683 4.290 ( 0.000 3.764 9.998) 10.683 4.528 ( 0.000 -8.430 -2.105) 8.689 4.528 ( 0.000 -8.430 2.105) 8.689 4.877 ( 0.000 -1.790 -0.996) 2.049 4.877 ( 0.000 -1.790 0.996) 2.049 5.118 ( 0.000 9.286 -1.386) 9.389 5.118 ( 0.000 9.286 1.386) 9.389 5.198 ( 0.000 -6.497 -6.329) 9.070 5.198 ( 0.000 -6.497 6.329) 9.070 5.640 ( 0.000 -0.973 -5.124) 5.215 5.640 ( 0.000 -0.973 5.124) 5.215 5.998 ( 0.000 -2.899 -2.665) 3.938 5.998 ( 0.000 -2.899 2.665) 3.938 6.479 ( 0.000 0.194 -0.477) 0.514 6.479 ( 0.000 0.194 0.477) 0.514 6.598 ( 0.000 4.843 -0.862) 4.919 6.598 ( 0.000 4.843 0.862) 4.919 7.109 ( 0.000 -1.118 -3.909) 4.065 7.109 ( 0.000 -1.118 3.909) 4.065 7.191 ( 0.000 3.730 -2.084) 4.272 7.191 ( 0.000 3.730 2.084) 4.272 7.574 ( 0.000 -10.837 -0.043) 10.837 7.574 ( 0.000 -10.837 0.043) 10.837 8.136 ( 0.000 0.334 -0.672) 0.750 8.136 ( 0.000 0.334 0.672) 0.750 8.390 ( 0.000 -4.792 -0.612) 4.831 8.390 ( 0.000 -4.792 0.612) 4.831 8.562 ( 0.000 1.307 -5.175) 5.338 8.562 ( 0.000 1.307 5.175) 5.338 8.852 ( 0.000 2.576 -1.634) 3.051 8.852 ( 0.000 2.576 1.634) 3.051 9.625 ( 0.000 9.564 -1.889) 9.749 9.625 ( 0.000 9.564 1.889) 9.749 10.086 ( 0.000 -10.520 -2.929) 10.920 10.086 ( 0.000 -10.520 2.929) 10.920 10.981 ( 0.000 4.863 -0.964) 4.958 10.981 ( 0.000 4.863 0.964) 4.958 11.227 ( 0.000 -5.894 -0.660) 5.931 11.227 ( 0.000 -5.894 0.660) 5.931 11.752 ( 0.000 1.361 -3.212) 3.488 11.752 ( 0.000 1.361 3.212) 3.488 12.085 ( 0.000 1.447 -0.397) 1.500 12.085 ( 0.000 1.447 0.397) 1.500 12.553 ( 0.000 2.404 -1.921) 3.077 12.553 ( 0.000 2.404 1.921) 3.077 13.314 ( 0.000 2.174 -2.976) 3.686 13.314 ( 0.000 2.174 2.976) 3.686 14.709 ( 0.000 -0.534 -4.790) 4.820 14.709 ( 0.000 -0.534 4.790) 4.820 15.238 ( 0.000 -7.372 -2.593) 7.815 15.238 ( 0.000 -7.372 2.593) 7.815 19.217 ( 0.000 11.611 -0.799) 11.638 19.217 ( 0.000 11.611 0.799) 11.638 19.323 ( 0.000 9.266 -3.266) 9.825 19.323 ( 0.000 9.266 3.266) 9.825 20.325 ( 0.000 -4.031 -1.667) 4.362 20.325 ( 0.000 -4.031 1.667) 4.362 20.914 ( 0.000 -4.586 -0.967) 4.686 20.914 ( 0.000 -4.586 0.967) 4.686 22.121 ( 0.000 0.144 -0.606) 0.623 22.121 ( 0.000 0.144 0.606) 0.623 22.591 ( 0.000 -0.366 -0.640) 0.737 22.591 ( 0.000 -0.366 0.640) 0.737 23.779 ( 0.000 -0.976 -0.547) 1.119 23.779 ( 0.000 -0.976 0.547) 1.119 23.877 ( 0.000 -2.017 -4.164) 4.627 23.877 ( 0.000 -2.017 4.164) 4.627 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.515 3.028 -4.062) 5.656 2.433 ( -2.515 3.028 4.062) 5.656 2.566 ( -6.567 0.118 -2.064) 6.885 2.566 ( -6.567 0.118 2.064) 6.885 2.749 ( -0.720 2.344 -3.709) 4.446 2.749 ( -0.720 2.344 3.709) 4.446 2.933 ( -5.891 -0.488 -1.467) 6.091 2.933 ( -5.891 -0.488 1.467) 6.091 3.398 ( 6.947 8.025 -3.594) 11.207 3.398 ( 6.947 8.025 3.594) 11.207 3.628 ( -0.594 9.308 -3.392) 9.925 3.628 ( -0.594 9.308 3.392) 9.925 3.731 ( 5.560 10.730 -2.908) 12.430 3.731 ( 5.560 10.730 2.908) 12.430 4.003 ( 6.013 -0.572 -2.554) 6.557 4.003 ( 6.013 -0.572 2.554) 6.557 4.270 ( -1.918 1.871 -8.531) 8.942 4.270 ( -1.918 1.871 8.531) 8.942 4.496 ( -2.249 -8.955 -0.925) 9.279 4.496 ( -2.249 -8.955 0.925) 9.279 4.898 ( 2.399 -1.127 -1.962) 3.298 4.898 ( 2.399 -1.127 1.962) 3.298 5.110 ( -3.435 2.836 -3.992) 5.982 5.110 ( -3.435 2.836 3.992) 5.982 5.187 ( 1.382 1.326 -3.926) 4.368 5.187 ( 1.382 1.325 3.926) 4.368 5.602 ( -2.827 -3.782 -3.348) 5.789 5.602 ( -2.827 -3.782 3.348) 5.789 6.056 ( 4.768 -1.112 -1.221) 5.046 6.056 ( 4.768 -1.112 1.221) 5.046 6.433 ( -3.888 -1.182 -1.540) 4.346 6.433 ( -3.888 -1.182 1.540) 4.346 6.669 ( 5.432 6.439 -3.059) 8.963 6.669 ( 5.432 6.439 3.059) 8.963 7.091 ( -3.006 2.145 -5.078) 6.279 7.091 ( -3.006 2.145 5.078) 6.279 7.191 ( 1.677 0.997 -2.790) 3.405 7.191 ( 1.677 0.997 2.790) 3.405 7.534 ( -3.226 -12.727 -0.163) 13.131 7.534 ( -3.226 -12.727 0.163) 13.131 8.147 ( 0.781 1.214 -1.295) 1.939 8.147 ( 0.781 1.214 1.295) 1.939 8.380 ( -0.787 -5.535 -0.950) 5.671 8.380 ( -0.787 -5.535 0.950) 5.671 8.606 ( 3.685 1.698 -4.293) 5.907 8.606 ( 3.685 1.698 4.293) 5.907 8.812 ( -3.397 2.202 -1.938) 4.488 8.812 ( -3.397 2.202 1.938) 4.488 9.625 ( 0.040 9.728 -1.365) 9.823 9.625 ( 0.040 9.728 1.365) 9.823 10.094 ( 0.619 -11.267 -2.107) 11.479 10.094 ( 0.619 -11.267 2.107) 11.479 10.975 ( -0.385 4.396 -0.676) 4.465 10.975 ( -0.385 4.396 0.676) 4.465 11.192 ( -2.367 -5.346 -0.462) 5.864 11.192 ( -2.367 -5.346 0.462) 5.864 11.784 ( 2.330 3.829 -2.125) 4.960 11.784 ( 2.330 3.829 2.126) 4.960 12.107 ( 1.207 -2.868 -0.728) 3.196 12.107 ( 1.207 -2.868 0.728) 3.196 12.605 ( 4.758 6.489 -2.610) 8.459 12.605 ( 4.758 6.489 2.610) 8.459 13.213 ( -7.899 -0.327 -2.622) 8.329 13.213 ( -7.899 -0.327 2.622) 8.329 14.775 ( 4.892 1.329 -3.892) 6.390 14.775 ( 4.892 1.329 3.892) 6.390 15.203 ( -2.762 -8.464 -2.394) 9.219 15.203 ( -2.762 -8.464 2.394) 9.219 19.213 ( -0.263 11.544 -0.541) 11.560 19.213 ( -0.263 11.544 0.541) 11.560 19.320 ( -0.207 9.132 -2.230) 9.402 19.320 ( -0.207 9.132 2.230) 9.402 20.403 ( 6.491 -3.395 -1.952) 7.581 20.403 ( 6.491 -3.395 1.952) 7.581 20.839 ( -6.334 -5.133 -1.854) 8.361 20.839 ( -6.334 -5.133 1.854) 8.361 22.166 ( 4.147 0.374 -0.699) 4.222 22.166 ( 4.147 0.374 0.699) 4.222 22.501 ( -7.277 -0.412 -0.602) 7.314 22.501 ( -7.277 -0.412 0.602) 7.314 23.795 ( 1.264 0.410 -0.360) 1.377 23.795 ( 1.264 0.410 0.360) 1.377 23.910 ( 2.136 -3.528 -2.576) 4.862 23.910 ( 2.136 -3.528 2.576) 4.862 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.000 1.272 -0.000) 1.272 2.430 ( 0.000 1.272 0.000) 1.272 2.448 ( -0.000 0.693 0.000) 0.693 2.448 ( 0.000 0.693 0.000) 0.693 2.729 ( -0.000 3.226 0.000) 3.226 2.729 ( 0.000 3.226 0.000) 3.226 2.870 ( -0.000 -2.105 0.000) 2.105 2.870 ( 0.000 -2.105 0.000) 2.105 3.523 ( -0.000 5.463 0.000) 5.463 3.523 ( 0.000 5.463 0.000) 5.463 3.584 ( -0.000 13.326 0.000) 13.326 3.584 ( 0.000 13.326 -0.000) 13.326 3.800 ( 0.000 10.413 0.000) 10.413 3.800 ( 0.000 10.413 0.000) 10.413 4.107 ( -0.000 5.210 0.000) 5.210 4.107 ( 0.000 5.210 0.000) 5.210 4.225 ( -0.000 -3.179 0.000) 3.179 4.225 ( 0.000 -3.179 0.000) 3.179 4.465 ( 0.000 -9.607 0.000) 9.607 4.465 ( 0.000 -9.607 0.000) 9.607 4.990 ( 0.000 1.082 -0.000) 1.082 4.990 ( -0.000 1.082 0.000) 1.082 4.994 ( -0.000 -2.450 -0.000) 2.450 4.994 ( 0.000 -2.450 0.000) 2.450 5.220 ( 0.000 7.122 0.000) 7.122 5.220 ( 0.000 7.122 0.000) 7.122 5.560 ( 0.000 -7.089 0.000) 7.089 5.560 ( 0.000 -7.089 0.000) 7.089 6.141 ( 0.000 2.294 0.000) 2.294 6.141 ( 0.000 2.294 0.000) 2.294 6.361 ( 0.000 -4.368 0.000) 4.368 6.361 ( 0.000 -4.368 0.000) 4.368 6.756 ( 0.000 9.530 0.000) 9.530 6.756 ( 0.000 9.530 0.000) 9.530 7.030 ( 0.000 1.033 0.000) 1.033 7.030 ( 0.000 1.033 0.000) 1.033 7.231 ( -0.000 2.772 0.000) 2.772 7.231 ( 0.000 2.772 0.000) 2.772 7.480 ( -0.000 -16.206 0.000) 16.206 7.480 ( 0.000 -16.206 0.000) 16.206 8.158 ( -0.000 2.317 0.000) 2.317 8.158 ( 0.000 2.317 0.000) 2.317 8.368 ( 0.000 -6.405 0.000) 6.405 8.368 ( 0.000 -6.405 0.000) 6.405 8.689 ( -0.000 2.602 0.000) 2.602 8.689 ( 0.000 2.602 0.000) 2.602 8.733 ( -0.000 1.186 0.000) 1.186 8.733 ( 0.000 1.186 -0.000) 1.186 9.626 ( 0.000 9.883 0.000) 9.883 9.626 ( 0.000 9.883 0.000) 9.883 10.103 ( 0.000 -12.033 0.000) 12.033 10.103 ( 0.000 -12.033 0.000) 12.033 10.970 ( 0.000 3.994 0.000) 3.994 10.970 ( 0.000 3.994 0.000) 3.994 11.160 ( 0.000 -4.837 0.000) 4.837 11.160 ( 0.000 -4.837 0.000) 4.837 11.818 ( -0.000 6.697 0.000) 6.697 11.818 ( 0.000 6.697 0.000) 6.697 12.119 ( -0.000 -7.513 0.000) 7.513 12.119 ( 0.000 -7.513 0.000) 7.513 12.696 ( -0.000 13.556 0.000) 13.556 12.696 ( 0.000 13.556 0.000) 13.556 13.082 ( 0.000 -5.776 0.000) 5.776 13.082 ( 0.000 -5.776 0.000) 5.776 14.850 ( 0.000 4.326 0.000) 4.326 14.850 ( 0.000 4.326 0.000) 4.326 15.157 ( -0.000 -10.796 0.000) 10.796 15.157 ( 0.000 -10.796 0.000) 10.796 19.209 ( 0.000 11.477 0.000) 11.477 19.209 ( 0.000 11.477 0.000) 11.477 19.318 ( -0.000 9.013 0.000) 9.013 19.318 ( 0.000 9.013 0.000) 9.013 20.531 ( 0.000 -1.052 0.000) 1.052 20.531 ( 0.000 -1.052 0.000) 1.052 20.713 ( -0.000 -7.397 0.000) 7.397 20.713 ( 0.000 -7.397 0.000) 7.397 22.274 ( -0.000 1.915 0.000) 1.915 22.274 ( 0.000 1.915 0.000) 1.915 22.350 ( -0.000 -1.768 0.000) 1.768 22.350 ( 0.000 -1.768 0.000) 1.768 23.814 ( -0.000 1.456 0.000) 1.456 23.814 ( 0.000 1.456 0.000) 1.456 23.938 ( 0.000 -4.703 0.000) 4.703 23.938 ( 0.000 -4.703 0.000) 4.703 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 -0.000 -0.000) 0.000 2.601 ( 0.000 -0.000 0.000) 0.000 2.759 ( 0.000 -0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 -0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 -0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 -0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 -0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 -0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 -0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 -0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 -0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 -0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 -0.000 0.000) 0.000 9.794 ( 0.000 -0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 -0.000) 0.000 11.062 ( 0.000 -0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 -0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 -0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 -0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 19.366 ( 0.000 0.000 0.000) 0.000 19.366 ( 0.000 0.000 0.000) 0.000 19.393 ( 0.000 0.000 0.000) 0.000 19.393 ( 0.000 0.000 0.000) 0.000 20.284 ( 0.000 0.000 0.000) 0.000 20.284 ( 0.000 0.000 0.000) 0.000 20.862 ( 0.000 0.000 0.000) 0.000 20.862 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.587 ( 0.000 0.000 0.000) 0.000 22.587 ( 0.000 0.000 0.000) 0.000 23.769 ( 0.000 0.000 0.000) 0.000 23.769 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -5.024 0.000 0.000) 5.024 2.472 ( -5.024 0.000 0.000) 5.024 2.561 ( -4.116 -0.000 0.000) 4.116 2.561 ( -4.116 0.000 0.000) 4.116 2.776 ( 0.632 -0.000 0.000) 0.632 2.776 ( 0.632 0.000 0.000) 0.632 2.906 ( -9.008 0.000 0.000) 9.008 2.906 ( -9.008 -0.000 0.000) 9.008 3.490 ( 7.751 0.000 0.000) 7.751 3.490 ( 7.751 0.000 0.000) 7.751 3.684 ( 0.662 0.000 0.000) 0.662 3.684 ( 0.662 0.000 0.000) 0.662 3.942 ( 8.524 0.000 0.000) 8.524 3.942 ( 8.524 0.000 0.000) 8.524 3.969 ( 4.961 -0.000 0.000) 4.961 3.969 ( 4.961 -0.000 0.000) 4.961 4.331 ( -2.282 -0.000 0.000) 2.282 4.331 ( -2.282 0.000 -0.000) 2.282 4.342 ( -4.390 -0.000 0.000) 4.390 4.342 ( -4.390 0.000 0.000) 4.390 4.878 ( 2.525 0.000 0.000) 2.525 4.878 ( 2.525 0.000 0.000) 2.525 5.075 ( -3.902 0.000 0.000) 3.902 5.075 ( -3.902 0.000 0.000) 3.902 5.279 ( 4.338 0.000 0.000) 4.338 5.279 ( 4.338 0.000 0.000) 4.338 5.555 ( -6.172 -0.000 0.000) 6.172 5.555 ( -6.172 0.000 0.000) 6.172 6.057 ( 6.725 0.000 0.000) 6.725 6.057 ( 6.725 0.000 0.000) 6.725 6.409 ( -5.848 0.000 0.000) 5.848 6.409 ( -5.848 0.000 0.000) 5.848 6.758 ( 7.980 -0.000 0.000) 7.980 6.758 ( 7.980 0.000 0.000) 7.980 7.070 ( -0.248 -0.000 0.000) 0.248 7.070 ( -0.248 0.000 0.000) 0.248 7.205 ( -1.135 0.000 0.000) 1.135 7.205 ( -1.135 0.000 0.000) 1.135 7.412 ( -5.260 -0.000 0.000) 5.260 7.412 ( -5.260 0.000 0.000) 5.260 8.180 ( 2.278 -0.000 0.000) 2.278 8.180 ( 2.278 0.000 0.000) 2.278 8.303 ( -2.026 -0.000 0.000) 2.026 8.303 ( -2.026 0.000 0.000) 2.026 8.627 ( 3.913 0.000 0.000) 3.913 8.627 ( 3.913 0.000 0.000) 3.913 8.835 ( -3.707 0.000 0.000) 3.707 8.835 ( -3.707 0.000 0.000) 3.707 9.812 ( 1.468 -0.000 0.000) 1.468 9.812 ( 1.468 0.000 0.000) 1.468 9.889 ( -1.305 0.000 0.000) 1.305 9.889 ( -1.305 0.000 0.000) 1.305 11.053 ( -0.421 -0.000 0.000) 0.421 11.053 ( -0.421 0.000 0.000) 0.421 11.105 ( -2.230 0.000 0.000) 2.230 11.105 ( -2.230 0.000 0.000) 2.230 11.832 ( 5.288 0.000 0.000) 5.288 11.832 ( 5.288 0.000 0.000) 5.288 12.069 ( -3.036 0.000 0.000) 3.036 12.069 ( -3.036 0.000 0.000) 3.036 12.675 ( 8.667 0.000 0.000) 8.667 12.675 ( 8.667 0.000 0.000) 8.667 13.209 ( -10.713 -0.000 0.000) 10.713 13.209 ( -10.713 0.000 0.000) 10.713 14.795 ( 7.220 0.000 0.000) 7.220 14.795 ( 7.220 0.000 0.000) 7.220 15.110 ( -4.536 0.000 0.000) 4.536 15.110 ( -4.536 0.000 0.000) 4.536 19.366 ( 0.037 0.000 0.000) 0.037 19.366 ( 0.037 0.000 0.000) 0.037 19.384 ( -0.695 0.000 0.000) 0.695 19.384 ( -0.695 0.000 0.000) 0.695 20.371 ( 7.421 0.000 0.000) 7.421 20.371 ( 7.421 0.000 0.000) 7.421 20.779 ( -7.153 0.000 0.000) 7.153 20.779 ( -7.153 0.000 0.000) 7.153 22.170 ( 4.386 0.000 0.000) 4.386 22.170 ( 4.386 0.000 0.000) 4.386 22.496 ( -7.376 0.000 0.000) 7.376 22.496 ( -7.376 0.000 0.000) 7.376 23.804 ( 2.706 -0.000 0.000) 2.706 23.804 ( 2.706 0.000 0.000) 2.706 23.869 ( 0.594 0.000 0.000) 0.594 23.869 ( 0.594 0.000 0.000) 0.594 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -3.312 -0.178 0.000) 3.317 2.451 ( -3.312 -0.178 0.000) 3.317 2.451 ( 3.312 0.178 0.000) 3.317 2.451 ( 3.312 0.178 0.000) 3.317 2.795 ( -0.411 -3.854 0.000) 3.875 2.795 ( -0.411 -3.854 0.000) 3.875 2.795 ( 0.411 3.854 0.000) 3.876 2.795 ( 0.411 3.854 0.000) 3.876 3.635 ( -2.137 -4.015 0.000) 4.548 3.635 ( -2.137 -4.015 0.000) 4.548 3.635 ( 2.137 4.015 0.000) 4.548 3.635 ( 2.137 4.015 0.000) 4.548 4.066 ( -0.021 -13.485 0.000) 13.485 4.066 ( -0.021 -13.485 0.000) 13.485 4.066 ( 0.021 13.485 0.000) 13.485 4.066 ( 0.021 13.485 0.000) 13.485 4.274 ( -0.032 -9.393 0.000) 9.394 4.274 ( -0.032 -9.393 0.000) 9.394 4.274 ( 0.032 9.393 0.000) 9.394 4.274 ( 0.032 9.393 0.000) 9.394 4.967 ( -5.098 -0.085 0.000) 5.099 4.967 ( -5.098 -0.085 0.000) 5.099 4.967 ( 5.098 0.085 0.000) 5.099 4.967 ( 5.098 0.085 0.000) 5.099 5.405 ( -2.350 -8.509 0.000) 8.827 5.405 ( -2.350 -8.509 0.000) 8.827 5.405 ( 2.350 8.509 0.000) 8.827 5.405 ( 2.350 8.509 0.000) 8.827 6.239 ( -4.772 -5.797 0.000) 7.509 6.239 ( -4.772 -5.797 0.000) 7.509 6.239 ( 4.772 5.797 0.000) 7.509 6.239 ( 4.772 5.797 0.000) 7.509 6.954 ( -3.648 -8.306 0.000) 9.072 6.954 ( -3.648 -8.306 0.000) 9.072 6.954 ( 3.648 8.306 0.000) 9.072 6.954 ( 3.648 8.306 0.000) 9.072 7.277 ( -3.691 -3.121 0.000) 4.833 7.277 ( -3.691 -3.121 0.000) 4.833 7.277 ( 3.691 3.121 0.000) 4.833 7.277 ( 3.691 3.121 0.000) 4.833 8.243 ( -0.813 -5.623 0.000) 5.682 8.243 ( -0.813 -5.623 0.000) 5.682 8.243 ( 0.813 5.623 0.000) 5.682 8.243 ( 0.813 5.623 0.000) 5.682 8.732 ( -4.621 -0.585 0.000) 4.658 8.732 ( -4.621 -0.585 0.000) 4.658 8.732 ( 4.621 0.585 0.000) 4.658 8.732 ( 4.621 0.585 0.000) 4.658 9.852 ( -0.149 -12.752 0.000) 12.753 9.852 ( -0.149 -12.752 0.000) 12.753 9.852 ( 0.149 12.752 0.000) 12.753 9.852 ( 0.149 12.752 0.000) 12.753 11.061 ( -0.169 -4.991 0.000) 4.994 11.061 ( -0.169 -4.991 0.000) 4.994 11.061 ( 0.169 4.991 0.000) 4.994 11.061 ( 0.169 4.991 0.000) 4.994 11.965 ( -2.117 -7.406 0.000) 7.703 11.965 ( -2.117 -7.406 0.000) 7.703 11.965 ( 2.117 7.406 0.000) 7.703 11.965 ( 2.117 7.406 0.000) 7.703 12.929 ( -7.418 -8.212 0.000) 11.066 12.929 ( -7.418 -8.212 0.000) 11.066 12.929 ( 7.418 8.212 0.000) 11.066 12.929 ( 7.418 8.212 0.000) 11.066 14.971 ( -3.407 -7.163 0.000) 7.932 14.971 ( -3.407 -7.163 0.000) 7.932 14.971 ( 3.407 7.163 0.000) 7.932 14.971 ( 3.407 7.163 0.000) 7.932 19.370 ( -0.024 -3.656 0.000) 3.656 19.370 ( -0.024 -3.656 0.000) 3.656 19.370 ( 0.024 3.656 0.000) 3.656 19.370 ( 0.024 3.656 0.000) 3.656 20.576 ( -6.987 -4.021 0.000) 8.061 20.576 ( -6.987 -4.021 0.000) 8.061 20.576 ( 6.987 4.021 0.000) 8.061 20.576 ( 6.987 4.021 0.000) 8.061 22.313 ( -7.316 -0.879 0.000) 7.369 22.313 ( -7.316 -0.879 0.000) 7.369 22.313 ( 7.316 0.879 0.000) 7.369 22.313 ( 7.316 0.879 0.000) 7.369 23.859 ( -0.437 -3.094 0.000) 3.124 23.859 ( -0.437 -3.094 0.000) 3.124 23.859 ( 0.437 3.094 0.000) 3.124 23.859 ( 0.437 3.094 0.000) 3.124 =================== 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 3/26880 10.0 902.067 2325.975 2110.817 0.000 0.000 0.000 3/26880 20.0 439.218 494.996 455.541 0.000 0.000 0.000 3/26880 30.0 163.056 186.078 165.545 0.000 0.000 0.000 3/26880 40.0 81.424 97.532 82.357 0.000 0.000 0.000 3/26880 50.0 49.322 60.878 49.413 0.000 0.000 0.000 3/26880 60.0 33.549 42.197 33.390 0.000 0.000 0.000 3/26880 70.0 24.667 31.434 24.477 0.000 0.000 0.000 3/26880 80.0 19.176 24.680 19.017 0.000 0.000 0.000 3/26880 90.0 15.537 20.156 15.421 0.000 0.000 0.000 3/26880 100.0 12.992 16.967 12.913 0.000 0.000 0.000 3/26880 110.0 11.133 14.624 11.085 0.000 0.000 0.000 3/26880 120.0 9.728 12.843 9.703 0.000 0.000 0.000 3/26880 130.0 8.634 11.452 8.626 0.000 0.000 0.000 3/26880 140.0 7.761 10.338 7.766 0.000 0.000 0.000 3/26880 150.0 7.051 9.430 7.065 0.000 0.000 0.000 3/26880 160.0 6.463 8.675 6.484 0.000 0.000 0.000 3/26880 170.0 5.969 8.039 5.994 0.000 0.000 0.000 3/26880 180.0 5.548 7.497 5.576 0.000 0.000 0.000 3/26880 190.0 5.185 7.028 5.215 0.000 0.000 0.000 3/26880 200.0 4.869 6.619 4.900 0.000 0.000 0.000 3/26880 210.0 4.591 6.259 4.624 0.000 0.000 0.000 3/26880 220.0 4.346 5.940 4.378 0.000 0.000 0.000 3/26880 230.0 4.127 5.654 4.159 0.000 0.000 0.000 3/26880 240.0 3.930 5.397 3.961 0.000 0.000 0.000 3/26880 250.0 3.752 5.165 3.783 0.000 0.000 0.000 3/26880 260.0 3.591 4.953 3.621 0.000 0.000 0.000 3/26880 270.0 3.444 4.759 3.473 0.000 0.000 0.000 3/26880 280.0 3.309 4.582 3.337 0.000 0.000 0.000 3/26880 290.0 3.185 4.418 3.212 0.000 0.000 0.000 3/26880 300.0 3.071 4.266 3.097 0.000 0.000 0.000 3/26880 310.0 2.965 4.125 2.990 0.000 0.000 0.000 3/26880 320.0 2.866 3.993 2.890 0.000 0.000 0.000 3/26880 330.0 2.774 3.870 2.797 0.000 0.000 0.000 3/26880 340.0 2.688 3.755 2.711 0.000 0.000 0.000 3/26880 350.0 2.608 3.647 2.629 0.000 0.000 0.000 3/26880 360.0 2.532 3.545 2.553 0.000 0.000 0.000 3/26880 370.0 2.461 3.449 2.481 0.000 0.000 0.000 3/26880 380.0 2.394 3.359 2.413 0.000 0.000 0.000 3/26880 390.0 2.331 3.273 2.349 0.000 0.000 0.000 3/26880 400.0 2.271 3.191 2.288 0.000 0.000 0.000 3/26880 410.0 2.214 3.114 2.231 0.000 0.000 0.000 3/26880 420.0 2.160 3.041 2.176 0.000 0.000 0.000 3/26880 430.0 2.109 2.970 2.124 0.000 0.000 0.000 3/26880 440.0 2.060 2.904 2.075 0.000 0.000 0.000 3/26880 450.0 2.013 2.840 2.027 0.000 0.000 0.000 3/26880 460.0 1.969 2.779 1.982 0.000 0.000 0.000 3/26880 470.0 1.926 2.720 1.939 0.000 0.000 0.000 3/26880 480.0 1.886 2.665 1.898 0.000 0.000 0.000 3/26880 490.0 1.847 2.611 1.859 0.000 0.000 0.000 3/26880 500.0 1.809 2.559 1.821 0.000 0.000 0.000 3/26880 510.0 1.774 2.510 1.785 0.000 0.000 0.000 3/26880 520.0 1.739 2.462 1.750 0.000 0.000 0.000 3/26880 530.0 1.706 2.417 1.717 0.000 0.000 0.000 3/26880 540.0 1.674 2.372 1.684 0.000 0.000 0.000 3/26880 550.0 1.644 2.330 1.654 0.000 0.000 0.000 3/26880 560.0 1.614 2.289 1.624 0.000 0.000 0.000 3/26880 570.0 1.586 2.249 1.595 0.000 0.000 0.000 3/26880 580.0 1.558 2.211 1.567 0.000 0.000 0.000 3/26880 590.0 1.532 2.174 1.540 0.000 0.000 0.000 3/26880 600.0 1.506 2.139 1.514 0.000 0.000 0.000 3/26880 610.0 1.481 2.104 1.489 0.000 0.000 0.000 3/26880 620.0 1.457 2.071 1.465 0.000 0.000 0.000 3/26880 630.0 1.434 2.038 1.442 0.000 0.000 0.000 3/26880 640.0 1.412 2.007 1.419 0.000 0.000 0.000 3/26880 650.0 1.390 1.976 1.397 0.000 0.000 0.000 3/26880 660.0 1.369 1.947 1.376 0.000 0.000 0.000 3/26880 670.0 1.348 1.918 1.355 0.000 0.000 0.000 3/26880 680.0 1.329 1.890 1.335 0.000 0.000 0.000 3/26880 690.0 1.309 1.863 1.316 0.000 0.000 0.000 3/26880 700.0 1.291 1.837 1.297 0.000 0.000 0.000 3/26880 710.0 1.272 1.812 1.279 0.000 0.000 0.000 3/26880 720.0 1.255 1.787 1.261 0.000 0.000 0.000 3/26880 730.0 1.238 1.763 1.243 0.000 0.000 0.000 3/26880 740.0 1.221 1.739 1.227 0.000 0.000 0.000 3/26880 750.0 1.205 1.716 1.210 0.000 0.000 0.000 3/26880 760.0 1.189 1.694 1.194 0.000 0.000 0.000 3/26880 770.0 1.173 1.672 1.179 0.000 0.000 0.000 3/26880 780.0 1.158 1.651 1.164 0.000 0.000 0.000 3/26880 790.0 1.144 1.631 1.149 0.000 0.000 0.000 3/26880 800.0 1.129 1.610 1.134 0.000 0.000 0.000 3/26880 810.0 1.116 1.591 1.120 0.000 0.000 0.000 3/26880 820.0 1.102 1.572 1.107 0.000 0.000 0.000 3/26880 830.0 1.089 1.553 1.093 0.000 0.000 0.000 3/26880 840.0 1.076 1.535 1.080 0.000 0.000 0.000 3/26880 850.0 1.063 1.517 1.068 0.000 0.000 0.000 3/26880 860.0 1.051 1.499 1.055 0.000 0.000 0.000 3/26880 870.0 1.039 1.482 1.043 0.000 0.000 0.000 3/26880 880.0 1.027 1.466 1.031 0.000 0.000 0.000 3/26880 890.0 1.015 1.449 1.019 0.000 0.000 0.000 3/26880 900.0 1.004 1.433 1.008 0.000 0.000 0.000 3/26880 910.0 0.993 1.418 0.997 0.000 0.000 0.000 3/26880 920.0 0.982 1.403 0.986 0.000 0.000 0.000 3/26880 930.0 0.972 1.388 0.976 0.000 0.000 0.000 3/26880 940.0 0.961 1.373 0.965 0.000 0.000 0.000 3/26880 950.0 0.951 1.359 0.955 0.000 0.000 0.000 3/26880 960.0 0.942 1.345 0.945 0.000 0.000 0.000 3/26880 970.0 0.932 1.331 0.935 0.000 0.000 0.000 3/26880 980.0 0.922 1.318 0.926 0.000 0.000 0.000 3/26880 990.0 0.913 1.304 0.916 0.000 0.000 0.000 3/26880 1000.0 0.904 1.291 0.907 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:30:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|