----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 7.391876200000000 Atomic positions (fractional): *1 O 0.67893108074294 0.16384687790893 0.25000000000000 15.999 *2 O 0.47085879662699 0.59661884944250 0.25000000000000 15.999 *3 O 0.34346960011471 0.09271125616013 0.56616878498591 15.999 4 O 0.09271125616013 0.74924165604543 0.06616878498591 15.999 5 O 0.25075834395457 0.34346960011471 0.06616878498591 15.999 6 O 0.74924165604543 0.65653039988529 0.56616878498591 15.999 7 O 0.90728874383987 0.25075834395457 0.56616878498591 15.999 8 O 0.65653039988529 0.90728874383987 0.06616878498591 15.999 9 O 0.65653039988529 0.90728874383987 0.43383121501409 15.999 10 O 0.90728874383987 0.25075834395457 0.93383121501409 15.999 11 O 0.74924165604543 0.65653039988529 0.93383121501409 15.999 12 O 0.25075834395457 0.34346960011471 0.43383121501409 15.999 13 O 0.12576005281550 0.52914120337300 0.25000000000000 15.999 14 O 0.34346960011471 0.09271125616013 0.93383121501409 15.999 15 O 0.40338115055750 0.87423994718450 0.25000000000000 15.999 16 O 0.87423994718450 0.47085879662699 0.75000000000000 15.999 17 O 0.32106891925706 0.83615312209107 0.75000000000000 15.999 18 O 0.83615312209107 0.51508420283401 0.25000000000000 15.999 19 O 0.48491579716599 0.32106891925706 0.25000000000000 15.999 20 O 0.51508420283401 0.67893108074294 0.75000000000000 15.999 21 O 0.16384687790893 0.48491579716599 0.75000000000000 15.999 22 O 0.09271125616013 0.74924165604543 0.43383121501409 15.999 23 O 0.59661884944250 0.12576005281550 0.75000000000000 15.999 24 O 0.52914120337300 0.40338115055750 0.75000000000000 15.999 *25 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 26 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 *27 As 0.63161391375083 0.60037282677673 0.75000000000000 74.922 28 As 0.96875891302590 0.36838608624917 0.75000000000000 74.922 29 As 0.60037282677673 0.96875891302590 0.25000000000000 74.922 30 As 0.36838608624917 0.39962717322327 0.25000000000000 74.922 31 As 0.03124108697410 0.63161391375083 0.25000000000000 74.922 32 As 0.39962717322327 0.03124108697410 0.75000000000000 74.922 *33 Sr 0.75064779091800 0.99048167009291 0.75000000000000 87.620 34 Sr 0.00951832990708 0.76016612082508 0.75000000000000 87.620 35 Sr 0.76016612082508 0.75064779091800 0.25000000000000 87.620 36 Sr 0.99048167009291 0.23983387917491 0.25000000000000 87.620 37 Sr 0.24935220908200 0.00951832990708 0.25000000000000 87.620 38 Sr 0.23983387917491 0.24935220908200 0.75000000000000 87.620 *39 Sr 0.33333333333333 0.66666666666667 0.50062727101594 87.620 40 Sr 0.66666666666667 0.33333333333333 0.00062727101594 87.620 41 Sr 0.66666666666667 0.33333333333333 0.49937272898406 87.620 42 Sr 0.33333333333333 0.66666666666667 0.99937272898406 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 7.391876200000000 Atomic positions (fractional): *1 O 0.67893108074294 0.16384687790893 0.25000000000000 15.999 > 1 *2 O 0.47085879662699 0.59661884944250 0.25000000000000 15.999 > 2 *3 O 0.34346960011471 0.09271125616013 0.56616878498591 15.999 > 3 4 O 0.09271125616013 0.74924165604543 0.06616878498591 15.999 > 4 5 O 0.25075834395457 0.34346960011471 0.06616878498591 15.999 > 5 6 O 0.74924165604543 0.65653039988529 0.56616878498591 15.999 > 6 7 O 0.90728874383987 0.25075834395457 0.56616878498591 15.999 > 7 8 O 0.65653039988529 0.90728874383987 0.06616878498591 15.999 > 8 9 O 0.65653039988529 0.90728874383987 0.43383121501409 15.999 > 9 10 O 0.90728874383987 0.25075834395457 0.93383121501409 15.999 > 10 11 O 0.74924165604543 0.65653039988529 0.93383121501409 15.999 > 11 12 O 0.25075834395457 0.34346960011471 0.43383121501409 15.999 > 12 13 O 0.12576005281550 0.52914120337300 0.25000000000000 15.999 > 13 14 O 0.34346960011471 0.09271125616013 0.93383121501409 15.999 > 14 15 O 0.40338115055750 0.87423994718450 0.25000000000000 15.999 > 15 16 O 0.87423994718450 0.47085879662699 0.75000000000000 15.999 > 16 17 O 0.32106891925706 0.83615312209107 0.75000000000000 15.999 > 17 18 O 0.83615312209107 0.51508420283401 0.25000000000000 15.999 > 18 19 O 0.48491579716599 0.32106891925706 0.25000000000000 15.999 > 19 20 O 0.51508420283401 0.67893108074294 0.75000000000000 15.999 > 20 21 O 0.16384687790893 0.48491579716599 0.75000000000000 15.999 > 21 22 O 0.09271125616013 0.74924165604543 0.43383121501409 15.999 > 22 23 O 0.59661884944250 0.12576005281550 0.75000000000000 15.999 > 23 24 O 0.52914120337300 0.40338115055750 0.75000000000000 15.999 > 24 *25 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 > 25 26 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 > 26 *27 As 0.63161391375083 0.60037282677673 0.75000000000000 74.922 > 27 28 As 0.96875891302590 0.36838608624917 0.75000000000000 74.922 > 28 29 As 0.60037282677673 0.96875891302590 0.25000000000000 74.922 > 29 30 As 0.36838608624917 0.39962717322327 0.25000000000000 74.922 > 30 31 As 0.03124108697410 0.63161391375083 0.25000000000000 74.922 > 31 32 As 0.39962717322327 0.03124108697410 0.75000000000000 74.922 > 32 *33 Sr 0.75064779091800 0.99048167009291 0.75000000000000 87.620 > 33 34 Sr 0.00951832990708 0.76016612082508 0.75000000000000 87.620 > 34 35 Sr 0.76016612082508 0.75064779091800 0.25000000000000 87.620 > 35 36 Sr 0.99048167009291 0.23983387917491 0.25000000000000 87.620 > 36 37 Sr 0.24935220908200 0.00951832990708 0.25000000000000 87.620 > 37 38 Sr 0.23983387917491 0.24935220908200 0.75000000000000 87.620 > 38 *39 Sr 0.33333333333333 0.66666666666667 0.50062727101594 87.620 > 39 40 Sr 0.66666666666667 0.33333333333333 0.00062727101594 87.620 > 40 41 Sr 0.66666666666667 0.33333333333333 0.49937272898406 87.620 > 41 42 Sr 0.33333333333333 0.66666666666667 0.99937272898406 87.620 > 42 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.783752399999999 Atomic positions (fractional): *1 O 0.67893108074294 0.16384687790893 0.12500000000000 15.999 > 1 2 O 0.67893108074294 0.16384687790893 0.62500000000000 15.999 > 1 *3 O 0.47085879662699 0.59661884944250 0.12500000000000 15.999 > 2 4 O 0.47085879662699 0.59661884944250 0.62500000000000 15.999 > 2 *5 O 0.34346960011471 0.09271125616013 0.28308439249296 15.999 > 3 6 O 0.34346960011471 0.09271125616013 0.78308439249296 15.999 > 3 7 O 0.09271125616013 0.74924165604543 0.03308439249296 15.999 > 4 8 O 0.09271125616013 0.74924165604543 0.53308439249296 15.999 > 4 9 O 0.25075834395457 0.34346960011471 0.03308439249296 15.999 > 5 10 O 0.25075834395457 0.34346960011471 0.53308439249296 15.999 > 5 11 O 0.74924165604543 0.65653039988529 0.28308439249296 15.999 > 6 12 O 0.74924165604543 0.65653039988529 0.78308439249296 15.999 > 6 13 O 0.90728874383987 0.25075834395457 0.28308439249296 15.999 > 7 14 O 0.90728874383987 0.25075834395457 0.78308439249296 15.999 > 7 15 O 0.65653039988529 0.90728874383987 0.03308439249296 15.999 > 8 16 O 0.65653039988529 0.90728874383987 0.53308439249296 15.999 > 8 17 O 0.65653039988529 0.90728874383987 0.21691560750704 15.999 > 9 18 O 0.65653039988529 0.90728874383987 0.71691560750704 15.999 > 9 19 O 0.90728874383987 0.25075834395457 0.46691560750704 15.999 > 10 20 O 0.90728874383987 0.25075834395457 0.96691560750704 15.999 > 10 21 O 0.74924165604543 0.65653039988529 0.46691560750704 15.999 > 11 22 O 0.74924165604543 0.65653039988529 0.96691560750704 15.999 > 11 23 O 0.25075834395457 0.34346960011471 0.21691560750704 15.999 > 12 24 O 0.25075834395457 0.34346960011471 0.71691560750704 15.999 > 12 25 O 0.12576005281550 0.52914120337300 0.12500000000000 15.999 > 13 26 O 0.12576005281550 0.52914120337300 0.62500000000000 15.999 > 13 27 O 0.34346960011471 0.09271125616013 0.46691560750704 15.999 > 14 28 O 0.34346960011471 0.09271125616013 0.96691560750704 15.999 > 14 29 O 0.40338115055750 0.87423994718450 0.12500000000000 15.999 > 15 30 O 0.40338115055750 0.87423994718450 0.62500000000000 15.999 > 15 31 O 0.87423994718450 0.47085879662699 0.37500000000000 15.999 > 16 32 O 0.87423994718450 0.47085879662699 0.87500000000000 15.999 > 16 33 O 0.32106891925706 0.83615312209107 0.37500000000000 15.999 > 17 34 O 0.32106891925706 0.83615312209107 0.87500000000000 15.999 > 17 35 O 0.83615312209107 0.51508420283401 0.12500000000000 15.999 > 18 36 O 0.83615312209107 0.51508420283401 0.62500000000000 15.999 > 18 37 O 0.48491579716599 0.32106891925706 0.12500000000000 15.999 > 19 38 O 0.48491579716599 0.32106891925706 0.62500000000000 15.999 > 19 39 O 0.51508420283401 0.67893108074294 0.37500000000000 15.999 > 20 40 O 0.51508420283401 0.67893108074294 0.87500000000000 15.999 > 20 41 O 0.16384687790893 0.48491579716599 0.37500000000000 15.999 > 21 42 O 0.16384687790893 0.48491579716599 0.87500000000000 15.999 > 21 43 O 0.09271125616013 0.74924165604543 0.21691560750704 15.999 > 22 44 O 0.09271125616013 0.74924165604543 0.71691560750704 15.999 > 22 45 O 0.59661884944250 0.12576005281550 0.37500000000000 15.999 > 23 46 O 0.59661884944250 0.12576005281550 0.87500000000000 15.999 > 23 47 O 0.52914120337300 0.40338115055750 0.37500000000000 15.999 > 24 48 O 0.52914120337300 0.40338115055750 0.87500000000000 15.999 > 24 *49 F 0.00000000000000 0.00000000000000 0.37500000000000 18.998 > 25 50 F 0.00000000000000 0.00000000000000 0.87500000000000 18.998 > 25 51 F 0.00000000000000 0.00000000000000 0.12500000000000 18.998 > 26 52 F 0.00000000000000 0.00000000000000 0.62500000000000 18.998 > 26 *53 As 0.63161391375083 0.60037282677673 0.37500000000000 74.922 > 27 54 As 0.63161391375083 0.60037282677673 0.87500000000000 74.922 > 27 55 As 0.96875891302590 0.36838608624917 0.37500000000000 74.922 > 28 56 As 0.96875891302590 0.36838608624917 0.87500000000000 74.922 > 28 57 As 0.60037282677673 0.96875891302590 0.12500000000000 74.922 > 29 58 As 0.60037282677673 0.96875891302590 0.62500000000000 74.922 > 29 59 As 0.36838608624917 0.39962717322327 0.12500000000000 74.922 > 30 60 As 0.36838608624917 0.39962717322327 0.62500000000000 74.922 > 30 61 As 0.03124108697410 0.63161391375083 0.12500000000000 74.922 > 31 62 As 0.03124108697410 0.63161391375083 0.62500000000000 74.922 > 31 63 As 0.39962717322327 0.03124108697410 0.37500000000000 74.922 > 32 64 As 0.39962717322327 0.03124108697410 0.87500000000000 74.922 > 32 *65 Sr 0.75064779091800 0.99048167009291 0.37500000000000 87.620 > 33 66 Sr 0.75064779091800 0.99048167009291 0.87500000000000 87.620 > 33 67 Sr 0.00951832990708 0.76016612082508 0.37500000000000 87.620 > 34 68 Sr 0.00951832990708 0.76016612082508 0.87500000000000 87.620 > 34 69 Sr 0.76016612082508 0.75064779091800 0.12500000000000 87.620 > 35 70 Sr 0.76016612082508 0.75064779091800 0.62500000000000 87.620 > 35 71 Sr 0.99048167009291 0.23983387917491 0.12500000000000 87.620 > 36 72 Sr 0.99048167009291 0.23983387917491 0.62500000000000 87.620 > 36 73 Sr 0.24935220908200 0.00951832990708 0.12500000000000 87.620 > 37 74 Sr 0.24935220908200 0.00951832990708 0.62500000000000 87.620 > 37 75 Sr 0.23983387917491 0.24935220908200 0.37500000000000 87.620 > 38 76 Sr 0.23983387917491 0.24935220908200 0.87500000000000 87.620 > 38 *77 Sr 0.33333333333333 0.66666666666667 0.25031363550797 87.620 > 39 78 Sr 0.33333333333333 0.66666666666667 0.75031363550797 87.620 > 39 79 Sr 0.66666666666667 0.33333333333333 0.00031363550797 87.620 > 40 80 Sr 0.66666666666667 0.33333333333333 0.50031363550797 87.620 > 40 81 Sr 0.66666666666667 0.33333333333333 0.24968636449203 87.620 > 41 82 Sr 0.66666666666667 0.33333333333333 0.74968636449203 87.620 > 41 83 Sr 0.33333333333333 0.66666666666667 0.49968636449203 87.620 > 42 84 Sr 0.33333333333333 0.66666666666667 0.99968636449203 87.620 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0365628 -0.0000264 0.0000000 0.0000264 3.0365628 0.0000000 0.0000000 0.0000000 3.0277270 -------------------------- Born effective charges -------------------------- 1 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 2 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 3 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 4 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 5 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 6 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 7 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 8 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 9 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 10 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 11 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 12 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 13 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 14 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 15 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 16 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 17 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 18 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 19 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 20 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 21 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 22 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 23 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 24 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 25 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 26 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 27 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 28 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 29 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 30 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 31 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 32 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 33 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 34 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 35 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 36 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 37 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 38 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 39 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 40 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 41 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 42 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 624 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 725 Use submatrix version of eigh solver. (1) Block: 500 / 725 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 725 / 725 (1) 210 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1350), data: False |-- (195, 188), data: True |-- (464, 460), data: True |-- (725, 702), data: False |-- (725, 15), data: (725, 38) @ (38, 15) |-- (225, 210), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 1.338 Solver_block: 200 / 480 - Time: 1.366 Solver_block: 300 / 480 - Time: 1.373 Solver_block: 400 / 480 - Time: 1.381 Solver_block: 480 / 480 - Time: 1.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.689 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 624 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 725 Use submatrix version of eigh solver. (1) Block: 500 / 725 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 725 / 725 (1) 210 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1350), data: False |-- (195, 188), data: True |-- (464, 460), data: True |-- (725, 702), data: False |-- (725, 15), data: (725, 38) @ (38, 15) |-- (225, 210), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), 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 03:44:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:44:19]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 7.391876200000000 Atomic positions (fractional): 1 O 0.67893108074294 0.16384687790893 0.25000000000000 15.999 2 O 0.47085879662699 0.59661884944250 0.25000000000000 15.999 3 O 0.34346960011471 0.09271125616013 0.56616878498591 15.999 4 O 0.09271125616013 0.74924165604543 0.06616878498591 15.999 5 O 0.25075834395457 0.34346960011471 0.06616878498591 15.999 6 O 0.74924165604543 0.65653039988529 0.56616878498591 15.999 7 O 0.90728874383987 0.25075834395457 0.56616878498591 15.999 8 O 0.65653039988529 0.90728874383987 0.06616878498591 15.999 9 O 0.65653039988529 0.90728874383987 0.43383121501409 15.999 10 O 0.90728874383987 0.25075834395457 0.93383121501409 15.999 11 O 0.74924165604543 0.65653039988529 0.93383121501409 15.999 12 O 0.25075834395457 0.34346960011471 0.43383121501409 15.999 13 O 0.12576005281550 0.52914120337300 0.25000000000000 15.999 14 O 0.34346960011471 0.09271125616013 0.93383121501409 15.999 15 O 0.40338115055750 0.87423994718450 0.25000000000000 15.999 16 O 0.87423994718450 0.47085879662699 0.75000000000000 15.999 17 O 0.32106891925706 0.83615312209107 0.75000000000000 15.999 18 O 0.83615312209107 0.51508420283401 0.25000000000000 15.999 19 O 0.48491579716599 0.32106891925706 0.25000000000000 15.999 20 O 0.51508420283401 0.67893108074294 0.75000000000000 15.999 21 O 0.16384687790893 0.48491579716599 0.75000000000000 15.999 22 O 0.09271125616013 0.74924165604543 0.43383121501409 15.999 23 O 0.59661884944250 0.12576005281550 0.75000000000000 15.999 24 O 0.52914120337300 0.40338115055750 0.75000000000000 15.999 25 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 26 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 27 As 0.63161391375083 0.60037282677673 0.75000000000000 74.922 28 As 0.96875891302590 0.36838608624917 0.75000000000000 74.922 29 As 0.60037282677673 0.96875891302590 0.25000000000000 74.922 30 As 0.36838608624917 0.39962717322327 0.25000000000000 74.922 31 As 0.03124108697410 0.63161391375083 0.25000000000000 74.922 32 As 0.39962717322327 0.03124108697410 0.75000000000000 74.922 33 Sr 0.75064779091800 0.99048167009291 0.75000000000000 87.620 34 Sr 0.00951832990708 0.76016612082508 0.75000000000000 87.620 35 Sr 0.76016612082508 0.75064779091800 0.25000000000000 87.620 36 Sr 0.99048167009291 0.23983387917491 0.25000000000000 87.620 37 Sr 0.24935220908200 0.00951832990708 0.25000000000000 87.620 38 Sr 0.23983387917491 0.24935220908200 0.75000000000000 87.620 39 Sr 0.33333333333333 0.66666666666667 0.50062727101594 87.620 40 Sr 0.66666666666667 0.33333333333333 0.00062727101594 87.620 41 Sr 0.66666666666667 0.33333333333333 0.49937272898406 87.620 42 Sr 0.33333333333333 0.66666666666667 0.99937272898406 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.783752399999999 Atomic positions (fractional): 1 O 0.67893108074294 0.16384687790893 0.12500000000000 15.999 > 1 2 O 0.67893108074294 0.16384687790893 0.62500000000000 15.999 > 1 3 O 0.47085879662699 0.59661884944250 0.12500000000000 15.999 > 3 4 O 0.47085879662699 0.59661884944250 0.62500000000000 15.999 > 3 5 O 0.34346960011471 0.09271125616013 0.28308439249296 15.999 > 5 6 O 0.34346960011471 0.09271125616013 0.78308439249296 15.999 > 5 7 O 0.09271125616013 0.74924165604543 0.03308439249296 15.999 > 7 8 O 0.09271125616013 0.74924165604543 0.53308439249296 15.999 > 7 9 O 0.25075834395457 0.34346960011471 0.03308439249296 15.999 > 9 10 O 0.25075834395457 0.34346960011471 0.53308439249296 15.999 > 9 11 O 0.74924165604543 0.65653039988529 0.28308439249296 15.999 > 11 12 O 0.74924165604543 0.65653039988529 0.78308439249296 15.999 > 11 13 O 0.90728874383987 0.25075834395457 0.28308439249296 15.999 > 13 14 O 0.90728874383987 0.25075834395457 0.78308439249296 15.999 > 13 15 O 0.65653039988529 0.90728874383987 0.03308439249296 15.999 > 15 16 O 0.65653039988529 0.90728874383987 0.53308439249296 15.999 > 15 17 O 0.65653039988529 0.90728874383987 0.21691560750704 15.999 > 17 18 O 0.65653039988529 0.90728874383987 0.71691560750704 15.999 > 17 19 O 0.90728874383987 0.25075834395457 0.46691560750704 15.999 > 19 20 O 0.90728874383987 0.25075834395457 0.96691560750704 15.999 > 19 21 O 0.74924165604543 0.65653039988529 0.46691560750704 15.999 > 21 22 O 0.74924165604543 0.65653039988529 0.96691560750704 15.999 > 21 23 O 0.25075834395457 0.34346960011471 0.21691560750704 15.999 > 23 24 O 0.25075834395457 0.34346960011471 0.71691560750704 15.999 > 23 25 O 0.12576005281550 0.52914120337300 0.12500000000000 15.999 > 25 26 O 0.12576005281550 0.52914120337300 0.62500000000000 15.999 > 25 27 O 0.34346960011471 0.09271125616013 0.46691560750704 15.999 > 27 28 O 0.34346960011471 0.09271125616013 0.96691560750704 15.999 > 27 29 O 0.40338115055750 0.87423994718450 0.12500000000000 15.999 > 29 30 O 0.40338115055750 0.87423994718450 0.62500000000000 15.999 > 29 31 O 0.87423994718450 0.47085879662699 0.37500000000000 15.999 > 31 32 O 0.87423994718450 0.47085879662699 0.87500000000000 15.999 > 31 33 O 0.32106891925706 0.83615312209107 0.37500000000000 15.999 > 33 34 O 0.32106891925706 0.83615312209107 0.87500000000000 15.999 > 33 35 O 0.83615312209107 0.51508420283401 0.12500000000000 15.999 > 35 36 O 0.83615312209107 0.51508420283401 0.62500000000000 15.999 > 35 37 O 0.48491579716599 0.32106891925706 0.12500000000000 15.999 > 37 38 O 0.48491579716599 0.32106891925706 0.62500000000000 15.999 > 37 39 O 0.51508420283401 0.67893108074294 0.37500000000000 15.999 > 39 40 O 0.51508420283401 0.67893108074294 0.87500000000000 15.999 > 39 41 O 0.16384687790893 0.48491579716599 0.37500000000000 15.999 > 41 42 O 0.16384687790893 0.48491579716599 0.87500000000000 15.999 > 41 43 O 0.09271125616013 0.74924165604543 0.21691560750704 15.999 > 43 44 O 0.09271125616013 0.74924165604543 0.71691560750704 15.999 > 43 45 O 0.59661884944250 0.12576005281550 0.37500000000000 15.999 > 45 46 O 0.59661884944250 0.12576005281550 0.87500000000000 15.999 > 45 47 O 0.52914120337300 0.40338115055750 0.37500000000000 15.999 > 47 48 O 0.52914120337300 0.40338115055750 0.87500000000000 15.999 > 47 49 F 0.00000000000000 0.00000000000000 0.37500000000000 18.998 > 49 50 F 0.00000000000000 0.00000000000000 0.87500000000000 18.998 > 49 51 F 0.00000000000000 0.00000000000000 0.12500000000000 18.998 > 51 52 F 0.00000000000000 0.00000000000000 0.62500000000000 18.998 > 51 53 As 0.63161391375083 0.60037282677673 0.37500000000000 74.922 > 53 54 As 0.63161391375083 0.60037282677673 0.87500000000000 74.922 > 53 55 As 0.96875891302590 0.36838608624917 0.37500000000000 74.922 > 55 56 As 0.96875891302590 0.36838608624917 0.87500000000000 74.922 > 55 57 As 0.60037282677673 0.96875891302590 0.12500000000000 74.922 > 57 58 As 0.60037282677673 0.96875891302590 0.62500000000000 74.922 > 57 59 As 0.36838608624917 0.39962717322327 0.12500000000000 74.922 > 59 60 As 0.36838608624917 0.39962717322327 0.62500000000000 74.922 > 59 61 As 0.03124108697410 0.63161391375083 0.12500000000000 74.922 > 61 62 As 0.03124108697410 0.63161391375083 0.62500000000000 74.922 > 61 63 As 0.39962717322327 0.03124108697410 0.37500000000000 74.922 > 63 64 As 0.39962717322327 0.03124108697410 0.87500000000000 74.922 > 63 65 Sr 0.75064779091800 0.99048167009291 0.37500000000000 87.620 > 65 66 Sr 0.75064779091800 0.99048167009291 0.87500000000000 87.620 > 65 67 Sr 0.00951832990708 0.76016612082508 0.37500000000000 87.620 > 67 68 Sr 0.00951832990708 0.76016612082508 0.87500000000000 87.620 > 67 69 Sr 0.76016612082508 0.75064779091800 0.12500000000000 87.620 > 69 70 Sr 0.76016612082508 0.75064779091800 0.62500000000000 87.620 > 69 71 Sr 0.99048167009291 0.23983387917491 0.12500000000000 87.620 > 71 72 Sr 0.99048167009291 0.23983387917491 0.62500000000000 87.620 > 71 73 Sr 0.24935220908200 0.00951832990708 0.12500000000000 87.620 > 73 74 Sr 0.24935220908200 0.00951832990708 0.62500000000000 87.620 > 73 75 Sr 0.23983387917491 0.24935220908200 0.37500000000000 87.620 > 75 76 Sr 0.23983387917491 0.24935220908200 0.87500000000000 87.620 > 75 77 Sr 0.33333333333333 0.66666666666667 0.25031363550797 87.620 > 77 78 Sr 0.33333333333333 0.66666666666667 0.75031363550797 87.620 > 77 79 Sr 0.66666666666667 0.33333333333333 0.00031363550797 87.620 > 79 80 Sr 0.66666666666667 0.33333333333333 0.50031363550797 87.620 > 79 81 Sr 0.66666666666667 0.33333333333333 0.24968636449203 87.620 > 81 82 Sr 0.66666666666667 0.33333333333333 0.74968636449203 87.620 > 81 83 Sr 0.33333333333333 0.66666666666667 0.49968636449203 87.620 > 83 84 Sr 0.33333333333333 0.66666666666667 0.99968636449203 87.620 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0365628 -0.0000264 0.0000000 0.0000264 3.0365628 0.0000000 0.0000000 0.0000000 3.0277270 -------------------------- Born effective charges -------------------------- 1 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 2 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 3 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 4 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 5 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 6 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 7 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 8 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 9 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 10 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 11 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 12 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 13 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 14 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 15 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 16 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 17 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 18 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 19 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 20 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 21 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 22 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 23 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 24 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 25 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 26 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 27 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 28 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 29 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 30 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 31 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 32 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 33 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 34 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 35 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 36 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 37 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 38 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 39 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 40 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 41 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 42 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 03:44:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:44:38]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 7.391876200000000 Atomic positions (fractional): 1 O 0.67893108074294 0.16384687790893 0.25000000000000 15.999 2 O 0.47085879662699 0.59661884944250 0.25000000000000 15.999 3 O 0.34346960011471 0.09271125616013 0.56616878498591 15.999 4 O 0.09271125616013 0.74924165604543 0.06616878498591 15.999 5 O 0.25075834395457 0.34346960011471 0.06616878498591 15.999 6 O 0.74924165604543 0.65653039988529 0.56616878498591 15.999 7 O 0.90728874383987 0.25075834395457 0.56616878498591 15.999 8 O 0.65653039988529 0.90728874383987 0.06616878498591 15.999 9 O 0.65653039988529 0.90728874383987 0.43383121501409 15.999 10 O 0.90728874383987 0.25075834395457 0.93383121501409 15.999 11 O 0.74924165604543 0.65653039988529 0.93383121501409 15.999 12 O 0.25075834395457 0.34346960011471 0.43383121501409 15.999 13 O 0.12576005281550 0.52914120337300 0.25000000000000 15.999 14 O 0.34346960011471 0.09271125616013 0.93383121501409 15.999 15 O 0.40338115055750 0.87423994718450 0.25000000000000 15.999 16 O 0.87423994718450 0.47085879662699 0.75000000000000 15.999 17 O 0.32106891925706 0.83615312209107 0.75000000000000 15.999 18 O 0.83615312209107 0.51508420283401 0.25000000000000 15.999 19 O 0.48491579716599 0.32106891925706 0.25000000000000 15.999 20 O 0.51508420283401 0.67893108074294 0.75000000000000 15.999 21 O 0.16384687790893 0.48491579716599 0.75000000000000 15.999 22 O 0.09271125616013 0.74924165604543 0.43383121501409 15.999 23 O 0.59661884944250 0.12576005281550 0.75000000000000 15.999 24 O 0.52914120337300 0.40338115055750 0.75000000000000 15.999 25 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 26 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 27 As 0.63161391375083 0.60037282677673 0.75000000000000 74.922 28 As 0.96875891302590 0.36838608624917 0.75000000000000 74.922 29 As 0.60037282677673 0.96875891302590 0.25000000000000 74.922 30 As 0.36838608624917 0.39962717322327 0.25000000000000 74.922 31 As 0.03124108697410 0.63161391375083 0.25000000000000 74.922 32 As 0.39962717322327 0.03124108697410 0.75000000000000 74.922 33 Sr 0.75064779091800 0.99048167009291 0.75000000000000 87.620 34 Sr 0.00951832990708 0.76016612082508 0.75000000000000 87.620 35 Sr 0.76016612082508 0.75064779091800 0.25000000000000 87.620 36 Sr 0.99048167009291 0.23983387917491 0.25000000000000 87.620 37 Sr 0.24935220908200 0.00951832990708 0.25000000000000 87.620 38 Sr 0.23983387917491 0.24935220908200 0.75000000000000 87.620 39 Sr 0.33333333333333 0.66666666666667 0.50062727101594 87.620 40 Sr 0.66666666666667 0.33333333333333 0.00062727101594 87.620 41 Sr 0.66666666666667 0.33333333333333 0.49937272898406 87.620 42 Sr 0.33333333333333 0.66666666666667 0.99937272898406 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.972434105794056 0.000000000000000 0.000000000000000 b -4.986217052897028 8.636381273184004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.783752399999999 Atomic positions (fractional): 1 O 0.67893108074294 0.16384687790893 0.12500000000000 15.999 > 1 2 O 0.67893108074294 0.16384687790893 0.62500000000000 15.999 > 1 3 O 0.47085879662699 0.59661884944250 0.12500000000000 15.999 > 3 4 O 0.47085879662699 0.59661884944250 0.62500000000000 15.999 > 3 5 O 0.34346960011471 0.09271125616013 0.28308439249296 15.999 > 5 6 O 0.34346960011471 0.09271125616013 0.78308439249296 15.999 > 5 7 O 0.09271125616013 0.74924165604543 0.03308439249296 15.999 > 7 8 O 0.09271125616013 0.74924165604543 0.53308439249296 15.999 > 7 9 O 0.25075834395457 0.34346960011471 0.03308439249296 15.999 > 9 10 O 0.25075834395457 0.34346960011471 0.53308439249296 15.999 > 9 11 O 0.74924165604543 0.65653039988529 0.28308439249296 15.999 > 11 12 O 0.74924165604543 0.65653039988529 0.78308439249296 15.999 > 11 13 O 0.90728874383987 0.25075834395457 0.28308439249296 15.999 > 13 14 O 0.90728874383987 0.25075834395457 0.78308439249296 15.999 > 13 15 O 0.65653039988529 0.90728874383987 0.03308439249296 15.999 > 15 16 O 0.65653039988529 0.90728874383987 0.53308439249296 15.999 > 15 17 O 0.65653039988529 0.90728874383987 0.21691560750704 15.999 > 17 18 O 0.65653039988529 0.90728874383987 0.71691560750704 15.999 > 17 19 O 0.90728874383987 0.25075834395457 0.46691560750704 15.999 > 19 20 O 0.90728874383987 0.25075834395457 0.96691560750704 15.999 > 19 21 O 0.74924165604543 0.65653039988529 0.46691560750704 15.999 > 21 22 O 0.74924165604543 0.65653039988529 0.96691560750704 15.999 > 21 23 O 0.25075834395457 0.34346960011471 0.21691560750704 15.999 > 23 24 O 0.25075834395457 0.34346960011471 0.71691560750704 15.999 > 23 25 O 0.12576005281550 0.52914120337300 0.12500000000000 15.999 > 25 26 O 0.12576005281550 0.52914120337300 0.62500000000000 15.999 > 25 27 O 0.34346960011471 0.09271125616013 0.46691560750704 15.999 > 27 28 O 0.34346960011471 0.09271125616013 0.96691560750704 15.999 > 27 29 O 0.40338115055750 0.87423994718450 0.12500000000000 15.999 > 29 30 O 0.40338115055750 0.87423994718450 0.62500000000000 15.999 > 29 31 O 0.87423994718450 0.47085879662699 0.37500000000000 15.999 > 31 32 O 0.87423994718450 0.47085879662699 0.87500000000000 15.999 > 31 33 O 0.32106891925706 0.83615312209107 0.37500000000000 15.999 > 33 34 O 0.32106891925706 0.83615312209107 0.87500000000000 15.999 > 33 35 O 0.83615312209107 0.51508420283401 0.12500000000000 15.999 > 35 36 O 0.83615312209107 0.51508420283401 0.62500000000000 15.999 > 35 37 O 0.48491579716599 0.32106891925706 0.12500000000000 15.999 > 37 38 O 0.48491579716599 0.32106891925706 0.62500000000000 15.999 > 37 39 O 0.51508420283401 0.67893108074294 0.37500000000000 15.999 > 39 40 O 0.51508420283401 0.67893108074294 0.87500000000000 15.999 > 39 41 O 0.16384687790893 0.48491579716599 0.37500000000000 15.999 > 41 42 O 0.16384687790893 0.48491579716599 0.87500000000000 15.999 > 41 43 O 0.09271125616013 0.74924165604543 0.21691560750704 15.999 > 43 44 O 0.09271125616013 0.74924165604543 0.71691560750704 15.999 > 43 45 O 0.59661884944250 0.12576005281550 0.37500000000000 15.999 > 45 46 O 0.59661884944250 0.12576005281550 0.87500000000000 15.999 > 45 47 O 0.52914120337300 0.40338115055750 0.37500000000000 15.999 > 47 48 O 0.52914120337300 0.40338115055750 0.87500000000000 15.999 > 47 49 F 0.00000000000000 0.00000000000000 0.37500000000000 18.998 > 49 50 F 0.00000000000000 0.00000000000000 0.87500000000000 18.998 > 49 51 F 0.00000000000000 0.00000000000000 0.12500000000000 18.998 > 51 52 F 0.00000000000000 0.00000000000000 0.62500000000000 18.998 > 51 53 As 0.63161391375083 0.60037282677673 0.37500000000000 74.922 > 53 54 As 0.63161391375083 0.60037282677673 0.87500000000000 74.922 > 53 55 As 0.96875891302590 0.36838608624917 0.37500000000000 74.922 > 55 56 As 0.96875891302590 0.36838608624917 0.87500000000000 74.922 > 55 57 As 0.60037282677673 0.96875891302590 0.12500000000000 74.922 > 57 58 As 0.60037282677673 0.96875891302590 0.62500000000000 74.922 > 57 59 As 0.36838608624917 0.39962717322327 0.12500000000000 74.922 > 59 60 As 0.36838608624917 0.39962717322327 0.62500000000000 74.922 > 59 61 As 0.03124108697410 0.63161391375083 0.12500000000000 74.922 > 61 62 As 0.03124108697410 0.63161391375083 0.62500000000000 74.922 > 61 63 As 0.39962717322327 0.03124108697410 0.37500000000000 74.922 > 63 64 As 0.39962717322327 0.03124108697410 0.87500000000000 74.922 > 63 65 Sr 0.75064779091800 0.99048167009291 0.37500000000000 87.620 > 65 66 Sr 0.75064779091800 0.99048167009291 0.87500000000000 87.620 > 65 67 Sr 0.00951832990708 0.76016612082508 0.37500000000000 87.620 > 67 68 Sr 0.00951832990708 0.76016612082508 0.87500000000000 87.620 > 67 69 Sr 0.76016612082508 0.75064779091800 0.12500000000000 87.620 > 69 70 Sr 0.76016612082508 0.75064779091800 0.62500000000000 87.620 > 69 71 Sr 0.99048167009291 0.23983387917491 0.12500000000000 87.620 > 71 72 Sr 0.99048167009291 0.23983387917491 0.62500000000000 87.620 > 71 73 Sr 0.24935220908200 0.00951832990708 0.12500000000000 87.620 > 73 74 Sr 0.24935220908200 0.00951832990708 0.62500000000000 87.620 > 73 75 Sr 0.23983387917491 0.24935220908200 0.37500000000000 87.620 > 75 76 Sr 0.23983387917491 0.24935220908200 0.87500000000000 87.620 > 75 77 Sr 0.33333333333333 0.66666666666667 0.25031363550797 87.620 > 77 78 Sr 0.33333333333333 0.66666666666667 0.75031363550797 87.620 > 77 79 Sr 0.66666666666667 0.33333333333333 0.00031363550797 87.620 > 79 80 Sr 0.66666666666667 0.33333333333333 0.50031363550797 87.620 > 79 81 Sr 0.66666666666667 0.33333333333333 0.24968636449203 87.620 > 81 82 Sr 0.66666666666667 0.33333333333333 0.74968636449203 87.620 > 81 83 Sr 0.33333333333333 0.66666666666667 0.49968636449203 87.620 > 83 84 Sr 0.33333333333333 0.66666666666667 0.99968636449203 87.620 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0365628 -0.0000264 0.0000000 0.0000264 3.0365628 0.0000000 0.0000000 0.0000000 3.0277270 -------------------------- Born effective charges -------------------------- 1 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 2 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 3 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 4 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 5 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 6 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 7 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 8 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 9 O -1.5297699 0.1455124 -0.3140603 0.1061385 -1.5320222 0.0561047 -0.3355160 0.0793909 -2.1573792 10 O -1.4224911 -0.0442011 -0.1084421 -0.0835750 -1.6393010 0.3000365 -0.0990034 0.3302608 -2.1573792 11 O -1.6404272 -0.0422505 -0.2056182 -0.0816244 -1.4213650 -0.2439318 -0.2365125 -0.2508699 -2.1573792 12 O -1.6404272 -0.0422505 0.2056182 -0.0816244 -1.4213650 0.2439318 0.2365125 0.2508699 -2.1573792 13 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 14 O -1.5297699 0.1455124 0.3140603 0.1061385 -1.5320222 -0.0561047 0.3355160 -0.0793909 -2.1573792 15 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 16 O -2.0633850 0.2560235 0.0000000 0.2875950 -1.7155806 0.0000000 0.0000000 0.0000000 -1.3688291 17 O -1.4214399 0.1850663 0.0000000 0.2267361 -2.5622751 0.0000000 0.0000000 0.0000000 -1.5072266 18 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 19 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 20 O -2.4553820 0.3702107 0.0000000 0.4118804 -1.5283330 0.0000000 0.0000000 0.0000000 -1.5072266 21 O -2.0987506 -0.6177816 0.0000000 -0.5761119 -1.8849643 0.0000000 0.0000000 0.0000000 -1.5072266 22 O -1.4224911 -0.0442011 0.1084421 -0.0835750 -1.6393010 -0.3000365 0.0990034 -0.3302608 -2.1573792 23 O -2.0379254 -0.3022941 0.0000000 -0.2707226 -1.7410401 0.0000000 0.0000000 0.0000000 -1.3688291 24 O -1.5671379 -0.0010867 0.0000000 0.0304849 -2.2118276 0.0000000 0.0000000 0.0000000 -1.3688291 25 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 26 F -1.6656833 -0.0541992 0.0000000 0.0541992 -1.6656833 0.0000000 0.0000000 0.0000000 -0.7819024 27 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 28 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 29 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 30 As 3.2593967 -0.3065453 0.0000000 -0.2501541 2.9461424 0.0000000 0.0000000 0.0000000 2.9404713 31 As 3.2655139 0.2466224 0.0000000 0.3030136 2.9400252 0.0000000 0.0000000 0.0000000 2.9404713 32 As 2.7833981 -0.0246639 0.0000000 0.0317273 3.4221410 0.0000000 0.0000000 0.0000000 2.9404713 33 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 34 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 35 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 36 Sr 2.6992352 0.1180886 0.0000000 0.1993412 2.6317525 0.0000000 0.0000000 0.0000000 2.6279382 37 Sr 2.5111721 -0.0907629 0.0000000 -0.0095103 2.8198156 0.0000000 0.0000000 0.0000000 2.6279382 38 Sr 2.7860743 -0.1492046 0.0000000 -0.0679520 2.5449134 0.0000000 0.0000000 0.0000000 2.6279382 39 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 40 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 41 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 42 Sr 2.5951451 0.1262025 0.0000000 -0.1262025 2.5951451 0.0000000 0.0000000 0.0000000 2.8245581 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) 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 ... [ 6 6 7 ] 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: 0.48, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.716 ( 0.000 0.000 0.000) 0.000 0.716 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.739 ( 0.000 0.000 0.000) 0.000 10.739 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 22.972 ( 0.000 0.000 0.000) 0.000 22.981 ( 0.000 0.000 0.000) 0.000 23.046 ( 0.000 0.000 0.000) 0.000 23.099 ( 0.000 0.000 0.000) 0.000 23.099 ( 0.000 0.000 0.000) 0.000 23.252 ( 0.000 0.000 0.000) 0.000 23.252 ( 0.000 0.000 0.000) 0.000 23.278 ( 0.000 0.000 0.000) 0.000 23.278 ( 0.000 0.000 0.000) 0.000 23.568 ( 0.000 0.000 0.000) 0.000 23.668 ( 0.000 0.000 0.000) 0.000 23.668 ( 0.000 0.000 0.000) 0.000 23.681 ( 0.000 0.000 0.000) 0.000 23.902 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 24.017 ( 0.000 0.000 0.000) 0.000 24.118 ( 0.000 0.000 0.000) 0.000 24.118 ( 0.000 0.000 0.000) 0.000 24.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.17 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 14.185 8.269 0.000) 16.419 0.500 ( 22.518 12.194 0.000) 25.608 0.880 ( 13.189 7.397 0.000) 15.122 0.898 ( 13.444 7.958 0.000) 15.623 0.970 ( 42.414 24.923 0.000) 49.195 1.748 ( 3.757 2.043 0.000) 4.276 2.004 ( -2.788 -4.692 0.000) 5.458 2.098 ( -0.894 7.968 0.000) 8.018 2.174 ( 6.854 -0.082 0.000) 6.855 2.182 ( -7.033 -1.871 0.000) 7.278 2.279 ( 1.277 -7.691 0.000) 7.796 2.308 ( -1.963 5.158 0.000) 5.519 2.314 ( 8.685 3.398 0.000) 9.326 2.566 ( -2.011 0.242 0.000) 2.025 2.609 ( -0.844 -0.877 0.000) 1.217 2.612 ( 4.197 0.994 0.000) 4.313 2.640 ( 1.156 1.487 0.000) 1.883 2.783 ( -6.896 -4.065 0.000) 8.005 2.887 ( -0.256 0.066 0.000) 0.264 3.091 ( 2.791 0.896 0.000) 2.931 3.111 ( 0.510 0.283 0.000) 0.583 3.161 ( 2.087 1.972 0.000) 2.871 3.443 ( -10.041 -5.600 0.000) 11.497 3.464 ( -7.671 -4.609 0.000) 8.950 3.529 ( 3.202 1.848 0.000) 3.697 3.603 ( -0.273 -0.064 0.000) 0.281 3.661 ( -4.721 -2.538 0.000) 5.360 3.731 ( -1.154 -0.243 0.000) 1.179 3.886 ( -6.157 -6.534 0.000) 8.977 3.942 ( 3.304 3.906 0.000) 5.116 3.967 ( 1.477 0.031 0.000) 1.477 3.979 ( -8.142 -4.494 0.000) 9.300 4.067 ( 7.755 5.098 0.000) 9.280 4.119 ( -11.819 -8.012 0.000) 14.278 4.278 ( -6.062 -4.066 0.000) 7.299 4.454 ( 1.837 2.756 0.000) 3.312 4.509 ( -10.174 -5.983 0.000) 11.803 4.509 ( -4.016 1.456 0.000) 4.272 4.639 ( 8.468 0.974 0.000) 8.523 4.661 ( 0.138 0.021 0.000) 0.140 4.752 ( -2.820 -0.582 0.000) 2.880 4.908 ( -0.874 -0.306 0.000) 0.926 4.920 ( -1.093 -0.495 0.000) 1.200 4.999 ( 6.328 3.425 0.000) 7.196 5.018 ( 0.435 3.396 0.000) 3.424 5.054 ( 4.352 -3.658 0.000) 5.685 5.089 ( -1.182 1.374 0.000) 1.812 5.169 ( 1.560 1.945 0.000) 2.494 5.200 ( 4.245 1.206 0.000) 4.413 5.262 ( -0.053 -0.297 0.000) 0.302 5.289 ( 1.874 1.353 0.000) 2.311 5.425 ( -0.141 -0.095 0.000) 0.171 5.571 ( 1.020 0.296 0.000) 1.062 5.643 ( -5.833 -3.285 0.000) 6.695 5.742 ( 0.309 -3.413 0.000) 3.427 5.765 ( -1.478 5.371 0.000) 5.571 5.873 ( -2.275 -1.314 0.000) 2.627 5.909 ( 2.285 -0.378 0.000) 2.316 6.064 ( 5.349 2.601 0.000) 5.948 6.169 ( 1.470 0.876 0.000) 1.712 6.320 ( 2.402 1.603 0.000) 2.887 6.567 ( -1.634 -0.944 0.000) 1.887 6.886 ( -0.648 -0.388 0.000) 0.755 6.900 ( 0.176 0.130 0.000) 0.219 6.970 ( 1.951 1.065 0.000) 2.222 7.058 ( -2.011 -0.937 0.000) 2.219 7.085 ( 0.398 0.044 0.000) 0.401 7.257 ( -0.603 -0.340 0.000) 0.692 7.987 ( -0.395 -0.215 0.000) 0.449 7.997 ( 0.456 0.267 0.000) 0.529 8.134 ( 0.076 0.072 0.000) 0.104 8.793 ( -5.031 -2.936 0.000) 5.825 9.552 ( -1.117 -0.645 0.000) 1.290 9.628 ( -2.241 -1.288 0.000) 2.585 9.650 ( -0.379 -0.226 0.000) 0.441 9.756 ( 1.840 1.064 0.000) 2.126 9.828 ( 7.543 4.355 0.000) 8.710 10.193 ( -2.871 -1.526 0.000) 3.251 10.271 ( -2.766 0.843 0.000) 2.892 10.303 ( 1.685 -1.926 0.000) 2.559 10.736 ( -0.322 -0.127 0.000) 0.346 10.816 ( 3.645 2.603 0.000) 4.479 10.849 ( -5.192 -2.998 0.000) 5.996 10.850 ( 3.078 1.822 0.000) 3.577 11.227 ( -1.899 -1.096 0.000) 2.192 11.239 ( 0.424 -0.225 0.000) 0.480 11.295 ( 1.090 -0.019 0.000) 1.090 11.298 ( -0.786 -0.457 0.000) 0.909 11.307 ( -0.017 -0.007 0.000) 0.018 11.343 ( 2.953 2.566 0.000) 3.912 11.636 ( -0.538 -0.501 0.000) 0.735 11.788 ( -2.492 -1.282 0.000) 2.803 12.000 ( -5.614 -3.247 0.000) 6.485 12.163 ( 0.088 0.051 0.000) 0.101 12.242 ( 6.535 3.773 0.000) 7.546 12.354 ( 0.956 0.566 0.000) 1.111 12.664 ( 2.836 1.646 0.000) 3.279 12.967 ( -3.175 -1.833 0.000) 3.667 12.988 ( -1.718 -0.887 0.000) 1.934 13.092 ( 1.177 0.240 0.000) 1.202 13.121 ( 2.861 1.969 0.000) 3.473 13.432 ( -1.535 -0.883 0.000) 1.771 22.856 ( -2.093 -1.350 0.000) 2.491 22.948 ( -1.231 1.368 0.000) 1.841 22.958 ( 0.550 -1.390 0.000) 1.495 22.974 ( 0.145 0.084 0.000) 0.168 23.021 ( -0.441 -0.591 0.000) 0.738 23.029 ( 1.644 0.699 0.000) 1.786 23.090 ( -0.719 -0.415 0.000) 0.831 23.096 ( -0.214 -0.124 0.000) 0.247 23.245 ( -1.372 1.051 0.000) 1.729 23.286 ( 0.550 0.318 0.000) 0.636 23.295 ( 1.437 0.830 0.000) 1.660 23.296 ( 4.479 1.079 0.000) 4.607 23.531 ( -5.167 -2.978 0.000) 5.964 23.552 ( -1.373 -0.793 0.000) 1.586 23.666 ( 0.385 0.235 0.000) 0.451 23.737 ( 2.297 1.334 0.000) 2.656 23.886 ( -0.636 -0.686 0.000) 0.936 23.903 ( -0.111 0.809 0.000) 0.816 23.919 ( 0.664 -0.591 0.000) 0.889 23.930 ( 0.557 0.754 0.000) 0.937 23.974 ( -2.550 -1.477 0.000) 2.947 24.213 ( 6.978 3.994 0.000) 8.040 24.827 ( -2.100 -1.113 0.000) 2.377 24.906 ( -1.972 -1.216 0.000) 2.317 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 11.789 7.200 0.000) 13.814 0.979 ( 21.401 10.225 0.000) 23.718 1.195 ( 10.268 7.314 0.000) 12.607 1.224 ( 16.980 7.869 0.000) 18.715 1.791 ( -1.018 0.333 0.000) 1.071 1.801 ( -6.359 -4.920 0.000) 8.040 1.878 ( 28.747 21.977 0.000) 36.185 1.991 ( -7.475 -5.502 0.000) 9.282 2.256 ( 9.415 5.839 0.000) 11.079 2.284 ( 3.996 -0.354 0.000) 4.012 2.324 ( 8.590 3.940 0.000) 9.450 2.360 ( -7.441 5.806 0.000) 9.438 2.382 ( -5.677 -8.859 0.000) 10.522 2.496 ( 7.768 0.749 0.000) 7.804 2.614 ( 2.167 1.719 0.000) 2.766 2.684 ( 5.466 -2.716 0.000) 6.103 2.698 ( 2.803 4.574 0.000) 5.365 2.728 ( -0.932 3.792 0.000) 3.905 2.907 ( 1.533 1.479 0.000) 2.130 3.023 ( -6.974 -6.266 0.000) 9.375 3.103 ( -1.045 -0.642 0.000) 1.226 3.222 ( -6.912 -1.786 0.000) 7.139 3.276 ( -7.508 -5.068 0.000) 9.058 3.293 ( 0.053 -1.860 0.000) 1.860 3.460 ( -12.973 -6.800 0.000) 14.647 3.493 ( -5.897 -2.004 0.000) 6.228 3.621 ( 3.695 1.057 0.000) 3.843 3.718 ( -0.115 3.171 0.000) 3.173 3.765 ( -7.177 -3.243 0.000) 7.876 3.837 ( 2.442 -6.281 0.000) 6.739 3.857 ( -6.094 -3.316 0.000) 6.938 3.976 ( 0.591 -3.914 0.000) 3.958 4.033 ( -0.541 1.778 0.000) 1.859 4.100 ( -8.762 -3.940 0.000) 9.607 4.216 ( -2.872 6.398 0.000) 7.013 4.307 ( 0.141 -5.884 0.000) 5.886 4.429 ( -4.515 1.634 0.000) 4.801 4.476 ( -0.750 -0.226 0.000) 0.783 4.653 ( -0.964 -0.451 0.000) 1.065 4.669 ( -1.873 -2.344 0.000) 3.000 4.804 ( 4.982 2.427 0.000) 5.542 4.883 ( -0.797 -1.167 0.000) 1.413 4.891 ( -1.876 0.315 0.000) 1.903 4.980 ( -1.906 -0.586 0.000) 1.994 5.091 ( -1.231 2.814 0.000) 3.072 5.130 ( 4.658 2.621 0.000) 5.345 5.171 ( 7.282 -0.967 0.000) 7.346 5.219 ( 2.848 0.790 0.000) 2.956 5.260 ( 0.711 -0.871 0.000) 1.124 5.302 ( 4.706 2.019 0.000) 5.121 5.338 ( 1.588 2.118 0.000) 2.647 5.422 ( -0.023 -0.240 0.000) 0.241 5.527 ( -2.381 -2.285 0.000) 3.301 5.591 ( -1.394 1.032 0.000) 1.734 5.671 ( -4.284 -4.314 0.000) 6.080 5.810 ( -0.250 5.099 0.000) 5.105 5.810 ( -2.945 -1.702 0.000) 3.401 5.978 ( 6.634 3.237 0.000) 7.382 6.151 ( 2.760 -2.470 0.000) 3.704 6.241 ( 4.752 3.068 0.000) 5.656 6.323 ( -4.185 -0.407 0.000) 4.205 6.543 ( 0.208 -0.181 0.000) 0.276 6.877 ( -0.009 -0.047 0.000) 0.048 6.900 ( -0.366 -0.086 0.000) 0.376 7.005 ( 1.245 -2.398 0.000) 2.702 7.019 ( -1.934 2.496 0.000) 3.158 7.108 ( 2.263 0.606 0.000) 2.343 7.230 ( -1.949 -1.003 0.000) 2.192 7.978 ( -0.357 -0.171 0.000) 0.396 8.008 ( 0.432 0.261 0.000) 0.505 8.137 ( 0.143 0.214 0.000) 0.257 8.667 ( -5.179 -3.126 0.000) 6.049 9.537 ( -0.144 -0.085 0.000) 0.168 9.581 ( -1.806 -1.035 0.000) 2.081 9.646 ( -0.071 -0.048 0.000) 0.086 9.791 ( 1.128 0.652 0.000) 1.303 10.027 ( 9.493 5.482 0.000) 10.962 10.122 ( -3.072 -1.334 0.000) 3.349 10.240 ( -1.728 0.675 0.000) 1.855 10.314 ( 1.680 -1.859 0.000) 2.505 10.681 ( -8.970 -5.179 0.000) 10.357 10.728 ( -0.298 -0.169 0.000) 0.343 10.905 ( 2.550 3.484 0.000) 4.318 10.914 ( 2.339 1.040 0.000) 2.560 11.205 ( -0.038 -0.021 0.000) 0.044 11.275 ( -1.146 -0.668 0.000) 1.326 11.278 ( 3.219 0.992 0.000) 3.368 11.306 ( -0.017 -0.005 0.000) 0.018 11.320 ( 2.253 -0.864 0.000) 2.413 11.412 ( 1.720 3.346 0.000) 3.762 11.616 ( -0.499 -1.933 0.000) 1.996 11.728 ( -2.884 -0.081 0.000) 2.885 11.852 ( -6.668 -4.150 0.000) 7.854 12.165 ( 0.087 0.050 0.000) 0.101 12.378 ( 1.027 0.614 0.000) 1.196 12.412 ( 7.789 4.497 0.000) 8.994 12.725 ( 2.047 1.273 0.000) 2.411 12.870 ( -5.142 -2.969 0.000) 5.938 12.954 ( -1.195 -0.689 0.000) 1.379 13.118 ( 1.198 0.456 0.000) 1.282 13.202 ( 4.050 2.464 0.000) 4.741 13.380 ( -3.114 -1.783 0.000) 3.589 22.820 ( -0.892 -0.559 0.000) 1.053 22.932 ( 0.066 -3.021 0.000) 3.021 22.952 ( -2.392 4.098 0.000) 4.745 22.978 ( 0.197 0.114 0.000) 0.228 22.982 ( -0.657 -2.258 0.000) 2.352 23.072 ( -0.703 -0.405 0.000) 0.812 23.091 ( -0.171 -0.099 0.000) 0.198 23.096 ( 4.405 0.202 0.000) 4.409 23.224 ( -2.903 1.699 0.000) 3.363 23.298 ( 0.483 0.279 0.000) 0.558 23.336 ( 1.965 1.134 0.000) 2.269 23.399 ( 4.989 -0.037 0.000) 4.989 23.425 ( -3.405 -0.682 0.000) 3.473 23.512 ( -1.944 -1.122 0.000) 2.245 23.667 ( -0.567 -0.225 0.000) 0.610 23.770 ( 0.743 0.446 0.000) 0.867 23.875 ( -0.147 -0.233 0.000) 0.275 23.910 ( -0.543 0.141 0.000) 0.561 23.918 ( -0.661 -0.511 0.000) 0.836 23.926 ( -0.235 -0.444 0.000) 0.502 23.946 ( 0.281 0.313 0.000) 0.421 24.393 ( 8.776 4.888 0.000) 10.046 24.742 ( -5.775 -2.961 0.000) 6.489 24.865 ( -1.224 -0.933 0.000) 1.539 ======================= Grid point 3 (4/32) ======================= 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.685 ( -0.000 -0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.082 ( -0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 -0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.721 ( -0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.817 ( -0.000 -0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.084 ( -0.000 -0.000 0.000) 0.000 3.088 ( -0.000 0.000 0.000) 0.000 3.169 ( 0.000 -0.000 0.000) 0.000 3.174 ( -0.000 -0.000 0.000) 0.000 3.180 ( -0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 -0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 -0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.461 ( -0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 -0.000 0.000) 0.000 4.869 ( 0.000 -0.000 0.000) 0.000 4.875 ( -0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 -0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.542 ( -0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 -0.000 0.000) 0.000 6.189 ( -0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 -0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 -0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.936 ( 0.000 -0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 -0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 -0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 -0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.302 ( -0.000 -0.000 0.000) 0.000 22.812 ( 0.000 0.000 0.000) 0.000 22.913 ( 0.000 -0.000 0.000) 0.000 22.955 ( 0.000 -0.000 0.000) 0.000 22.963 ( -0.000 0.000 0.000) 0.000 22.981 ( 0.000 0.000 0.000) 0.000 23.064 ( 0.000 -0.000 0.000) 0.000 23.089 ( 0.000 0.000 0.000) 0.000 23.171 ( -0.000 0.000 0.000) 0.000 23.174 ( 0.000 0.000 0.000) 0.000 23.304 ( 0.000 0.000 0.000) 0.000 23.364 ( 0.000 0.000 0.000) 0.000 23.371 ( 0.000 0.000 0.000) 0.000 23.473 ( -0.000 0.000 0.000) 0.000 23.484 ( 0.000 0.000 0.000) 0.000 23.652 ( 0.000 -0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 23.874 ( 0.000 0.000 0.000) 0.000 23.892 ( 0.000 -0.000 0.000) 0.000 23.919 ( 0.000 0.000 0.000) 0.000 23.924 ( 0.000 0.000 0.000) 0.000 23.950 ( 0.000 0.000 0.000) 0.000 24.569 ( 0.000 0.000 0.000) 0.000 24.601 ( -0.000 -0.000 0.000) 0.000 24.851 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/32) ======================= q-point: ( 0.17 0.17 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 8.518 14.196 0.000) 16.555 0.877 ( 11.840 23.774 0.000) 26.559 1.113 ( 8.737 14.758 0.000) 17.150 1.147 ( 8.709 15.911 0.000) 18.139 1.618 ( 21.259 35.519 0.000) 41.395 1.767 ( -1.314 -1.872 0.000) 2.287 1.973 ( 3.764 -4.796 0.000) 6.097 2.041 ( -4.242 -0.040 0.000) 4.242 2.070 ( -4.507 -10.534 0.000) 11.457 2.228 ( -0.483 5.310 0.000) 5.332 2.351 ( 5.544 8.936 0.000) 10.516 2.353 ( -0.197 -4.401 0.000) 4.405 2.465 ( 4.015 12.586 0.000) 13.211 2.541 ( 5.323 -5.454 0.000) 7.620 2.585 ( -8.585 2.169 0.000) 8.854 2.612 ( -0.045 1.208 0.000) 1.209 2.666 ( 4.027 1.938 0.000) 4.469 2.754 ( 2.159 2.029 0.000) 2.963 2.890 ( 0.790 0.397 0.000) 0.884 3.108 ( -0.463 -0.758 0.000) 0.888 3.115 ( -6.066 -3.175 0.000) 6.847 3.196 ( 5.922 3.575 0.000) 6.917 3.276 ( -4.511 -7.267 0.000) 8.554 3.327 ( -5.396 -8.243 0.000) 9.852 3.508 ( -4.534 -12.567 0.000) 13.360 3.601 ( 2.259 5.266 0.000) 5.730 3.633 ( -1.056 -0.547 0.000) 1.189 3.692 ( 0.131 -3.690 0.000) 3.692 3.724 ( -7.011 -8.108 0.000) 10.719 3.887 ( -8.367 -5.499 0.000) 10.012 3.900 ( -3.941 -8.637 0.000) 9.494 4.002 ( -1.371 3.574 0.000) 3.828 4.024 ( 2.198 1.384 0.000) 2.597 4.153 ( -4.624 -9.195 0.000) 10.293 4.175 ( 5.076 1.482 0.000) 5.288 4.358 ( -5.103 -5.055 0.000) 7.183 4.445 ( 0.135 -2.349 0.000) 2.353 4.544 ( 9.989 -6.406 0.000) 11.866 4.630 ( -10.617 6.982 0.000) 12.707 4.652 ( -0.692 -1.239 0.000) 1.419 4.744 ( 2.034 -1.208 0.000) 2.366 4.843 ( -1.669 -3.356 0.000) 3.748 4.965 ( 1.500 1.580 0.000) 2.179 4.988 ( -1.063 -3.364 0.000) 3.528 5.056 ( 1.307 -0.076 0.000) 1.309 5.084 ( 2.577 5.140 0.000) 5.749 5.138 ( -0.407 4.375 0.000) 4.394 5.232 ( 1.184 4.817 0.000) 4.961 5.246 ( -1.347 -1.021 0.000) 1.690 5.268 ( 2.043 3.694 0.000) 4.221 5.333 ( 2.313 2.726 0.000) 3.575 5.425 ( -0.060 0.138 0.000) 0.150 5.571 ( -1.927 -0.755 0.000) 2.070 5.595 ( 1.231 -0.376 0.000) 1.287 5.705 ( -2.385 0.525 0.000) 2.442 5.816 ( 9.063 -3.850 0.000) 9.846 5.828 ( -1.828 -3.165 0.000) 3.655 5.898 ( -4.191 3.131 0.000) 5.232 6.159 ( -0.972 5.751 0.000) 5.832 6.197 ( 3.301 2.067 0.000) 3.895 6.339 ( 0.663 -0.894 0.000) 1.113 6.554 ( -0.045 0.265 0.000) 0.269 6.878 ( -0.139 -0.181 0.000) 0.228 6.903 ( 0.101 -0.019 0.000) 0.103 6.985 ( -0.902 -0.573 0.000) 1.068 7.050 ( 1.830 0.600 0.000) 1.926 7.088 ( -0.581 0.834 0.000) 1.017 7.241 ( -0.806 -1.524 0.000) 1.723 7.980 ( -0.137 -0.299 0.000) 0.329 8.004 ( 0.146 0.244 0.000) 0.284 8.157 ( 1.436 2.279 0.000) 2.694 8.690 ( -4.161 -6.996 0.000) 8.140 9.539 ( -0.243 -0.419 0.000) 0.485 9.607 ( -0.885 -1.574 0.000) 1.806 9.623 ( -0.696 -1.164 0.000) 1.357 9.796 ( 1.242 2.150 0.000) 2.483 9.968 ( 5.535 9.584 0.000) 11.067 10.137 ( -1.853 -4.012 0.000) 4.419 10.246 ( 1.137 -1.891 0.000) 2.206 10.302 ( -2.766 1.047 0.000) 2.958 10.706 ( -1.200 -2.259 0.000) 2.558 10.732 ( -5.117 -8.863 0.000) 10.234 10.901 ( 3.838 5.459 0.000) 6.674 10.940 ( 4.272 5.706 0.000) 7.128 11.206 ( -0.277 -0.482 0.000) 0.556 11.227 ( -0.591 1.161 0.000) 1.303 11.281 ( -0.706 -1.212 0.000) 1.403 11.307 ( 0.008 0.005 0.000) 0.010 11.339 ( -2.108 2.062 0.000) 2.949 11.377 ( 4.218 1.024 0.000) 4.341 11.615 ( -1.627 -1.160 0.000) 1.998 11.749 ( -0.582 -2.539 0.000) 2.605 11.894 ( -4.111 -6.891 0.000) 8.024 12.164 ( 0.050 0.087 0.000) 0.101 12.367 ( 4.790 8.297 0.000) 9.580 12.372 ( 0.666 1.113 0.000) 1.297 12.714 ( 1.774 2.954 0.000) 3.446 12.899 ( -2.922 -5.061 0.000) 5.844 12.952 ( -1.397 -2.475 0.000) 2.842 13.128 ( 1.122 2.693 0.000) 2.918 13.169 ( 2.135 3.153 0.000) 3.808 13.398 ( -1.471 -2.567 0.000) 2.958 22.821 ( -1.249 -2.026 0.000) 2.380 22.903 ( -0.518 -0.785 0.000) 0.940 22.977 ( 0.121 0.209 0.000) 0.241 22.978 ( -0.817 -2.825 0.000) 2.941 23.025 ( 1.327 0.288 0.000) 1.358 23.060 ( -0.397 4.706 0.000) 4.723 23.079 ( -0.376 -0.653 0.000) 0.754 23.090 ( -0.238 -0.410 0.000) 0.474 23.263 ( 3.988 -1.092 0.000) 4.134 23.300 ( 0.586 1.014 0.000) 1.171 23.320 ( 0.923 1.599 0.000) 1.846 23.341 ( -0.952 4.582 0.000) 4.680 23.451 ( -2.197 -4.129 0.000) 4.677 23.524 ( -1.130 -1.958 0.000) 2.261 23.666 ( -0.275 -0.603 0.000) 0.663 23.765 ( 0.667 1.121 0.000) 1.305 23.877 ( -0.401 -0.400 0.000) 0.566 23.907 ( 0.573 0.136 0.000) 0.589 23.924 ( -0.332 0.555 0.000) 0.647 23.933 ( -1.085 -2.293 0.000) 2.536 23.943 ( 0.362 0.440 0.000) 0.570 24.342 ( 4.836 8.604 0.000) 9.870 24.793 ( -1.185 -2.931 0.000) 3.162 24.854 ( -2.420 -3.488 0.000) 4.245 ======================= Grid point 9 (6/32) ======================= q-point: ( 0.33 0.17 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 4.165 10.014 0.000) 10.845 1.298 ( 11.246 21.515 0.000) 24.276 1.355 ( -1.186 7.928 0.000) 8.016 1.412 ( 11.604 9.573 0.000) 15.043 1.752 ( -17.536 -0.175 0.000) 17.537 1.782 ( 4.396 0.492 0.000) 4.423 1.824 ( -6.442 -9.596 0.000) 11.558 2.062 ( 13.403 -12.306 0.000) 18.196 2.153 ( -6.312 -14.353 0.000) 15.680 2.342 ( 18.453 10.885 0.000) 21.424 2.378 ( 3.466 6.658 0.000) 7.506 2.467 ( -6.718 5.330 0.000) 8.576 2.504 ( 4.605 11.767 0.000) 12.636 2.600 ( 0.445 6.862 0.000) 6.877 2.651 ( 5.610 0.174 0.000) 5.613 2.668 ( 0.671 1.155 0.000) 1.336 2.800 ( -0.952 3.216 0.000) 3.354 2.823 ( 5.840 10.766 0.000) 12.248 2.915 ( 1.839 -1.074 0.000) 2.129 2.958 ( -4.826 0.661 0.000) 4.871 3.083 ( -0.905 -1.386 0.000) 1.655 3.145 ( -5.228 -8.079 0.000) 9.623 3.177 ( -3.123 -4.199 0.000) 5.232 3.215 ( -14.598 -6.793 0.000) 16.101 3.256 ( -4.723 0.930 0.000) 4.814 3.602 ( 5.514 1.736 0.000) 5.781 3.608 ( 0.288 -3.929 0.000) 3.940 3.630 ( 1.495 -10.138 0.000) 10.247 3.658 ( -4.846 -9.212 0.000) 10.409 3.758 ( 4.334 3.518 0.000) 5.582 3.852 ( -2.083 2.582 0.000) 3.318 3.959 ( -4.481 0.596 0.000) 4.520 4.006 ( -0.449 -5.054 0.000) 5.074 4.027 ( -2.707 -3.189 0.000) 4.183 4.151 ( -0.834 -6.828 0.000) 6.879 4.380 ( 1.373 8.192 0.000) 8.306 4.424 ( 0.004 -1.299 0.000) 1.299 4.503 ( -7.613 2.426 0.000) 7.990 4.618 ( -0.336 -3.460 0.000) 3.477 4.660 ( 7.996 -4.695 0.000) 9.273 4.750 ( -0.681 1.096 0.000) 1.290 4.794 ( 0.304 -3.805 0.000) 3.817 4.948 ( 0.309 -3.572 0.000) 3.585 4.991 ( -2.767 5.895 0.000) 6.512 5.084 ( 0.810 -2.247 0.000) 2.388 5.167 ( 3.178 0.901 0.000) 3.303 5.169 ( 2.154 0.855 0.000) 2.317 5.210 ( 0.245 -3.642 0.000) 3.650 5.253 ( 1.483 -0.600 0.000) 1.600 5.344 ( 1.567 3.065 0.000) 3.443 5.396 ( 0.948 3.008 0.000) 3.154 5.423 ( -0.499 0.351 0.000) 0.610 5.567 ( -1.464 3.255 0.000) 3.569 5.616 ( -0.390 4.720 0.000) 4.736 5.656 ( -4.871 1.371 0.000) 5.061 5.769 ( -1.198 -2.200 0.000) 2.506 5.839 ( -1.841 -0.453 0.000) 1.895 5.990 ( 11.455 -1.706 0.000) 11.582 6.120 ( -2.839 -4.918 0.000) 5.679 6.263 ( -0.921 3.301 0.000) 3.427 6.336 ( 0.013 0.627 0.000) 0.628 6.571 ( -0.170 2.337 0.000) 2.344 6.882 ( 0.327 0.666 0.000) 0.742 6.899 ( -0.679 -0.005 0.000) 0.679 6.955 ( 0.329 -2.547 0.000) 2.568 7.075 ( -2.059 2.660 0.000) 3.364 7.118 ( 3.533 0.854 0.000) 3.635 7.201 ( -1.703 -2.065 0.000) 2.677 7.978 ( -0.233 0.323 0.000) 0.398 8.006 ( 0.344 -0.536 0.000) 0.637 8.211 ( -1.491 7.163 0.000) 7.316 8.562 ( -0.962 -7.626 0.000) 7.687 9.540 ( 0.307 0.451 0.000) 0.545 9.571 ( -1.726 -0.167 0.000) 1.734 9.615 ( 1.249 -2.344 0.000) 2.656 9.825 ( -0.267 2.020 0.000) 2.037 10.076 ( -0.672 -3.018 0.000) 3.092 10.165 ( 5.492 8.693 0.000) 10.283 10.249 ( -1.015 0.056 0.000) 1.016 10.279 ( 1.375 -0.909 0.000) 1.648 10.541 ( -5.225 -8.979 0.000) 10.389 10.671 ( 1.007 -3.967 0.000) 4.093 10.997 ( -0.914 7.120 0.000) 7.178 11.047 ( -1.544 8.561 0.000) 8.699 11.211 ( 0.329 0.712 0.000) 0.785 11.256 ( -0.583 -1.234 0.000) 1.365 11.266 ( 4.950 -0.563 0.000) 4.982 11.307 ( -0.021 0.048 0.000) 0.052 11.318 ( -0.326 -1.164 0.000) 1.209 11.408 ( 0.963 -4.705 0.000) 4.803 11.592 ( 0.306 0.795 0.000) 0.852 11.732 ( -0.116 -0.644 0.000) 0.655 11.761 ( -4.007 -3.852 0.000) 5.558 12.165 ( 0.038 0.019 0.000) 0.043 12.390 ( 0.394 0.519 0.000) 0.651 12.526 ( 3.917 6.912 0.000) 7.945 12.764 ( 0.339 2.778 0.000) 2.799 12.787 ( -3.125 -5.486 0.000) 6.314 12.907 ( 0.259 -3.682 0.000) 3.691 13.166 ( -0.781 3.818 0.000) 3.897 13.246 ( 3.978 1.992 0.000) 4.449 13.334 ( -2.984 -2.915 0.000) 4.172 22.793 ( 0.211 -1.841 0.000) 1.853 22.899 ( 0.558 -0.256 0.000) 0.614 22.935 ( -0.913 -2.161 0.000) 2.346 22.981 ( 0.079 0.133 0.000) 0.155 23.027 ( -1.580 1.907 0.000) 2.476 23.068 ( -0.408 -0.013 0.000) 0.408 23.084 ( 0.145 -0.597 0.000) 0.614 23.123 ( 2.280 3.888 0.000) 4.507 23.280 ( -5.273 2.263 0.000) 5.738 23.316 ( -0.301 1.399 0.000) 1.431 23.329 ( 2.493 -4.368 0.000) 5.030 23.352 ( 1.358 0.302 0.000) 1.391 23.462 ( 2.501 3.177 0.000) 4.043 23.486 ( -0.931 -1.323 0.000) 1.618 23.637 ( -0.631 -3.270 0.000) 3.330 23.776 ( 0.118 0.144 0.000) 0.186 23.872 ( 0.028 0.007 0.000) 0.028 23.894 ( -0.638 -1.066 0.000) 1.242 23.922 ( 0.304 0.267 0.000) 0.404 23.925 ( -0.194 0.442 0.000) 0.483 23.950 ( 0.119 0.073 0.000) 0.139 24.518 ( 6.239 7.616 0.000) 9.845 24.695 ( -7.603 -1.898 0.000) 7.836 24.806 ( 1.919 -4.973 0.000) 5.330 ======================= Grid point 10 (7/32) ======================= q-point: (-0.50 0.17 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -11.019 1.529 0.000) 11.124 1.330 ( -7.630 2.557 0.000) 8.047 1.332 ( -24.512 -0.486 0.000) 24.517 1.481 ( -18.074 -4.693 0.000) 18.673 1.654 ( 10.111 1.589 0.000) 10.235 1.707 ( 9.537 14.542 0.000) 17.391 1.958 ( 1.820 -5.860 0.000) 6.137 2.092 ( 5.125 -16.850 0.000) 17.612 2.097 ( 16.921 2.294 0.000) 17.075 2.277 ( -20.756 -5.253 0.000) 21.411 2.375 ( -6.582 0.258 0.000) 6.587 2.469 ( -2.035 7.513 0.000) 7.784 2.564 ( -12.381 -2.157 0.000) 12.567 2.624 ( -4.755 0.606 0.000) 4.794 2.670 ( -2.626 -1.958 0.000) 3.275 2.672 ( -0.817 -5.344 0.000) 5.406 2.743 ( -9.359 6.525 0.000) 11.409 2.790 ( -3.338 3.324 0.000) 4.711 2.907 ( -0.288 -1.962 0.000) 1.983 2.978 ( 2.716 3.017 0.000) 4.060 3.085 ( 1.552 0.026 0.000) 1.553 3.148 ( 2.874 3.077 0.000) 4.210 3.184 ( 5.788 0.391 0.000) 5.801 3.218 ( 13.351 5.882 0.000) 14.589 3.336 ( 6.201 4.580 0.000) 7.709 3.469 ( -0.821 -0.826 0.000) 1.165 3.614 ( 4.568 -2.747 0.000) 5.330 3.623 ( 7.572 -5.750 0.000) 9.507 3.729 ( -7.422 -0.154 0.000) 7.424 3.747 ( 6.862 -4.578 0.000) 8.249 3.916 ( 1.622 3.400 0.000) 3.767 3.938 ( 2.557 -0.561 0.000) 2.618 4.029 ( 3.734 -0.649 0.000) 3.790 4.035 ( 8.523 5.177 0.000) 9.972 4.078 ( -2.057 -4.078 0.000) 4.567 4.405 ( -5.414 1.989 0.000) 5.768 4.418 ( 0.056 0.083 0.000) 0.100 4.463 ( -0.963 4.702 0.000) 4.799 4.612 ( 3.212 -1.419 0.000) 3.512 4.706 ( 3.286 -5.086 0.000) 6.055 4.741 ( -1.511 -0.390 0.000) 1.561 4.793 ( 2.997 -2.142 0.000) 3.683 4.934 ( 2.245 -1.814 0.000) 2.886 4.986 ( -4.045 5.339 0.000) 6.698 5.059 ( -0.443 -0.933 0.000) 1.033 5.163 ( -1.933 -1.915 0.000) 2.721 5.197 ( 0.636 -2.517 0.000) 2.596 5.223 ( 3.341 -2.639 0.000) 4.257 5.285 ( 3.029 -2.521 0.000) 3.941 5.334 ( -4.921 0.222 0.000) 4.926 5.386 ( -3.506 1.149 0.000) 3.689 5.428 ( -0.118 0.409 0.000) 0.426 5.562 ( -2.193 3.205 0.000) 3.883 5.603 ( -2.873 3.183 0.000) 4.287 5.691 ( 1.465 6.519 0.000) 6.681 5.770 ( 2.506 -0.063 0.000) 2.507 5.792 ( -2.968 -1.314 0.000) 3.246 5.991 ( -3.178 -7.908 0.000) 8.523 6.140 ( 7.619 -2.622 0.000) 8.057 6.285 ( -1.177 4.689 0.000) 4.835 6.308 ( -3.077 -1.004 0.000) 3.237 6.573 ( -1.720 1.226 0.000) 2.112 6.883 ( -0.798 -0.004 0.000) 0.798 6.897 ( 0.357 0.623 0.000) 0.718 6.959 ( 2.418 -1.718 0.000) 2.966 7.064 ( -2.239 2.655 0.000) 3.474 7.130 ( -1.973 -2.188 0.000) 2.946 7.197 ( 2.739 0.632 0.000) 2.812 7.977 ( -0.187 0.366 0.000) 0.411 8.006 ( 0.288 -0.557 0.000) 0.627 8.209 ( -5.538 4.884 0.000) 7.384 8.564 ( 7.165 -2.993 0.000) 7.765 9.540 ( -0.544 -0.042 0.000) 0.545 9.570 ( 1.003 1.409 0.000) 1.729 9.615 ( 1.411 -2.250 0.000) 2.656 9.825 ( -1.616 1.241 0.000) 2.038 10.073 ( 2.648 -0.835 0.000) 2.776 10.165 ( -10.275 -0.409 0.000) 10.283 10.233 ( -0.695 0.623 0.000) 0.933 10.303 ( 2.003 -1.618 0.000) 2.575 10.541 ( 10.389 0.035 0.000) 10.389 10.670 ( 2.886 -2.866 0.000) 4.067 10.994 ( -6.243 4.876 0.000) 7.921 11.031 ( -7.063 4.916 0.000) 8.606 11.211 ( -0.782 0.072 0.000) 0.785 11.256 ( 1.364 -0.114 0.000) 1.368 11.284 ( -1.903 -3.758 0.000) 4.213 11.307 ( -0.034 0.043 0.000) 0.055 11.341 ( 3.342 -1.097 0.000) 3.518 11.380 ( 1.535 -2.595 0.000) 3.014 11.608 ( 0.396 -1.059 0.000) 1.130 11.703 ( 0.551 1.679 0.000) 1.767 11.775 ( 4.561 0.570 0.000) 4.596 12.165 ( -0.036 -0.024 0.000) 0.043 12.390 ( -0.658 -0.079 0.000) 0.663 12.526 ( -7.945 0.064 0.000) 7.945 12.762 ( -2.630 1.114 0.000) 2.856 12.787 ( 6.314 -0.037 0.000) 6.314 12.908 ( 3.072 -2.070 0.000) 3.704 13.167 ( -2.781 2.596 0.000) 3.804 13.246 ( -3.802 -2.483 0.000) 4.541 13.333 ( 4.013 1.137 0.000) 4.171 22.793 ( 1.500 -1.098 0.000) 1.859 22.905 ( 0.079 -1.409 0.000) 1.412 22.926 ( 1.862 0.704 0.000) 1.990 22.981 ( -0.155 -0.002 0.000) 0.155 23.022 ( -1.155 2.098 0.000) 2.394 23.068 ( 0.215 0.347 0.000) 0.408 23.084 ( 0.445 -0.424 0.000) 0.615 23.156 ( -3.250 -1.765 0.000) 3.699 23.224 ( -0.955 5.002 0.000) 5.092 23.316 ( -1.061 0.960 0.000) 1.431 23.352 ( -0.940 -1.025 0.000) 1.391 23.357 ( 3.648 -1.783 0.000) 4.061 23.466 ( -4.109 -0.722 0.000) 4.172 23.486 ( 1.612 0.145 0.000) 1.618 23.635 ( 3.127 -1.046 0.000) 3.297 23.776 ( -0.193 -0.030 0.000) 0.195 23.874 ( 0.020 -0.094 0.000) 0.096 23.892 ( 1.187 0.108 0.000) 1.192 23.919 ( -0.581 0.050 0.000) 0.583 23.929 ( 0.017 0.178 0.000) 0.179 23.949 ( -0.227 -0.044 0.000) 0.231 24.521 ( -9.830 -1.829 0.000) 9.999 24.689 ( 5.404 5.628 0.000) 7.803 24.809 ( 3.525 -3.915 0.000) 5.268 ======================= Grid point 15 (8/32) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.000 -0.000 0.000) 0.000 1.465 ( -2.184 -4.369 0.000) 4.884 1.465 ( 2.184 4.369 0.000) 4.884 1.729 ( -0.000 -0.000 0.000) 0.000 1.740 ( -3.607 -7.214 0.000) 8.065 1.740 ( 3.607 7.214 0.000) 8.065 1.775 ( -0.000 -0.000 0.000) 0.000 1.869 ( -3.971 -7.941 0.000) 8.878 1.869 ( 3.971 7.941 0.000) 8.878 2.409 ( 0.000 -0.000 0.000) 0.000 2.423 ( -0.000 -0.000 0.000) 0.000 2.609 ( -2.834 -5.668 0.000) 6.337 2.609 ( 2.834 5.668 0.000) 6.337 2.635 ( -0.792 -1.584 0.000) 1.771 2.635 ( 0.792 1.584 0.000) 1.771 2.828 ( -5.696 -11.392 0.000) 12.737 2.828 ( 5.696 11.392 0.000) 12.737 2.867 ( -1.573 -3.146 0.000) 3.517 2.867 ( 1.573 3.146 0.000) 3.517 3.061 ( 0.000 0.000 0.000) 0.000 3.069 ( -0.000 -0.000 0.000) 0.000 3.108 ( -1.646 -3.292 0.000) 3.681 3.108 ( 1.646 3.292 0.000) 3.681 3.137 ( -0.000 -0.000 0.000) 0.000 3.285 ( -0.000 -0.000 0.000) 0.000 3.505 ( -1.584 -3.168 0.000) 3.542 3.505 ( 1.584 3.168 0.000) 3.542 3.547 ( -0.000 -0.000 0.000) 0.000 3.596 ( -0.000 -0.000 0.000) 0.000 3.877 ( -3.546 -7.093 0.000) 7.930 3.877 ( 3.546 7.093 0.000) 7.930 3.926 ( -0.000 0.000 0.000) 0.000 3.950 ( -1.310 -2.619 0.000) 2.929 3.950 ( 1.310 2.619 0.000) 2.929 4.103 ( -0.000 -0.000 0.000) 0.000 4.424 ( -0.000 -0.000 0.000) 0.000 4.522 ( -2.714 -5.429 0.000) 6.069 4.522 ( 2.714 5.429 0.000) 6.069 4.546 ( -2.035 -4.070 0.000) 4.551 4.546 ( 2.035 4.070 0.000) 4.551 4.755 ( -0.000 -0.000 0.000) 0.000 4.853 ( -2.615 -5.231 0.000) 5.848 4.853 ( 2.615 5.231 0.000) 5.848 5.063 ( -0.000 -0.000 0.000) 0.000 5.107 ( -2.625 -5.250 0.000) 5.870 5.107 ( 2.625 5.250 0.000) 5.870 5.183 ( -0.000 -0.000 0.000) 0.000 5.197 ( -1.339 -2.679 0.000) 2.995 5.197 ( 1.339 2.679 0.000) 2.995 5.384 ( -0.000 -0.000 0.000) 0.000 5.429 ( -0.119 -0.239 0.000) 0.267 5.429 ( 0.119 0.239 0.000) 0.267 5.646 ( -1.766 -3.531 0.000) 3.948 5.646 ( 1.766 3.531 0.000) 3.948 5.661 ( -0.000 -0.000 0.000) 0.000 5.744 ( -0.000 -0.000 0.000) 0.000 5.895 ( -0.000 -0.000 0.000) 0.000 5.981 ( -1.593 -3.187 0.000) 3.563 5.981 ( 1.593 3.187 0.000) 3.563 6.328 ( -0.571 -1.142 0.000) 1.277 6.328 ( 0.571 1.142 0.000) 1.277 6.598 ( -0.000 -0.000 0.000) 0.000 6.894 ( -0.000 -0.000 0.000) 0.000 6.911 ( -0.802 -1.604 0.000) 1.793 6.911 ( 0.802 1.604 0.000) 1.793 7.102 ( -0.000 -0.000 0.000) 0.000 7.153 ( -1.088 -2.176 0.000) 2.433 7.153 ( 1.088 2.176 0.000) 2.433 7.991 ( -0.409 -0.818 0.000) 0.914 7.991 ( 0.409 0.818 0.000) 0.914 8.386 ( -4.492 -8.983 0.000) 10.043 8.386 ( 4.492 8.983 0.000) 10.043 9.549 ( -0.000 -0.000 0.000) 0.000 9.577 ( -0.528 -1.055 0.000) 1.180 9.577 ( 0.528 1.055 0.000) 1.180 9.847 ( -0.000 -0.000 0.000) 0.000 10.041 ( -0.000 -0.000 0.000) 0.000 10.260 ( -0.631 -1.262 0.000) 1.411 10.260 ( 0.631 1.262 0.000) 1.411 10.351 ( -4.558 -9.116 0.000) 10.192 10.351 ( 4.558 9.116 0.000) 10.192 10.626 ( -0.000 -0.000 0.000) 0.000 11.130 ( -1.479 -2.958 0.000) 3.307 11.130 ( 1.479 2.958 0.000) 3.307 11.231 ( -0.573 -1.146 0.000) 1.281 11.231 ( 0.573 1.146 0.000) 1.281 11.282 ( -0.000 -0.000 0.000) 0.000 11.293 ( -1.728 -3.456 0.000) 3.864 11.293 ( 1.728 3.456 0.000) 3.864 11.308 ( -0.000 -0.000 0.000) 0.000 11.603 ( -0.000 -0.000 0.000) 0.000 11.724 ( -0.640 -1.281 0.000) 1.432 11.724 ( 0.640 1.281 0.000) 1.432 12.166 ( -0.000 -0.000 0.000) 0.000 12.396 ( -0.000 -0.000 0.000) 0.000 12.664 ( -3.139 -6.278 0.000) 7.019 12.664 ( 3.139 6.278 0.000) 7.019 12.830 ( -1.789 -3.579 0.000) 4.001 12.830 ( 1.789 3.579 0.000) 4.001 13.223 ( -0.000 -0.000 0.000) 0.000 13.278 ( -0.913 -1.825 0.000) 2.041 13.278 ( 0.913 1.825 0.000) 2.041 22.772 ( -0.000 -0.000 0.000) 0.000 22.906 ( -0.345 -0.690 0.000) 0.771 22.906 ( 0.345 0.690 0.000) 0.771 22.982 ( -0.000 -0.000 0.000) 0.000 23.038 ( -0.000 -0.000 0.000) 0.000 23.073 ( -0.212 -0.425 0.000) 0.475 23.073 ( 0.212 0.425 0.000) 0.475 23.221 ( -2.113 -4.227 0.000) 4.726 23.221 ( 2.113 4.227 0.000) 4.726 23.316 ( -0.000 -0.000 0.000) 0.000 23.343 ( -0.517 -1.033 0.000) 1.155 23.343 ( 0.517 1.033 0.000) 1.155 23.472 ( -0.000 -0.000 0.000) 0.000 23.548 ( -2.329 -4.658 0.000) 5.208 23.548 ( 2.329 4.658 0.000) 5.208 23.777 ( -0.000 0.000 0.000) 0.000 23.878 ( -0.242 -0.484 0.000) 0.541 23.878 ( 0.242 0.484 0.000) 0.541 23.928 ( -0.097 -0.194 0.000) 0.217 23.928 ( 0.097 0.194 0.000) 0.217 23.950 ( -0.000 -0.000 0.000) 0.000 24.658 ( -1.968 -3.935 0.000) 4.400 24.658 ( 1.968 3.935 0.000) 4.400 24.710 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (9/32) ======================= q-point: ( 0.00 0.00 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -0.000 26.412) 26.412 0.465 ( 0.000 -0.000 26.412) 26.412 1.063 ( 0.000 0.000 27.686) 27.686 1.063 ( 0.000 0.000 27.686) 27.686 1.089 ( -0.000 0.000 54.896) 54.896 1.767 ( 0.000 0.000 6.897) 6.897 2.027 ( -0.000 0.000 0.203) 0.203 2.027 ( -0.000 0.000 0.203) 0.203 2.061 ( 0.000 0.000 -4.020) 4.020 2.061 ( 0.000 0.000 -4.020) 4.020 2.348 ( 0.000 0.000 -0.100) 0.100 2.348 ( 0.000 0.000 -0.100) 0.100 2.390 ( 0.000 -0.000 -1.189) 1.189 2.599 ( 0.000 0.000 -2.082) 2.082 2.599 ( -0.000 0.000 -2.082) 2.082 2.686 ( 0.000 0.000 12.660) 12.660 2.686 ( 0.000 0.000 12.660) 12.660 2.949 ( -0.000 0.000 4.621) 4.621 2.949 ( 0.000 -0.000 4.621) 4.621 3.073 ( 0.000 0.000 3.323) 3.323 3.133 ( 0.000 0.000 -0.717) 0.717 3.223 ( -0.000 0.000 11.451) 11.451 3.418 ( 0.000 0.000 -7.603) 7.603 3.615 ( 0.000 0.000 2.549) 2.549 3.615 ( 0.000 0.000 2.549) 2.549 3.652 ( 0.000 -0.000 5.453) 5.453 3.692 ( 0.000 0.000 -2.905) 2.905 3.797 ( 0.000 0.000 -12.190) 12.190 3.797 ( 0.000 0.000 -12.190) 12.190 3.865 ( -0.000 0.000 11.242) 11.242 3.899 ( 0.000 0.000 6.066) 6.066 4.088 ( 0.000 0.000 1.022) 1.022 4.088 ( -0.000 -0.000 1.022) 1.022 4.202 ( 0.000 0.000 -8.047) 8.047 4.281 ( 0.000 0.000 -17.508) 17.508 4.281 ( -0.000 -0.000 -17.508) 17.508 4.367 ( 0.000 -0.000 -0.600) 0.600 4.385 ( 0.000 0.000 2.148) 2.148 4.385 ( -0.000 0.000 2.148) 2.148 4.732 ( 0.000 0.000 1.184) 1.184 4.732 ( 0.000 0.000 1.184) 1.184 4.830 ( 0.000 0.000 -0.052) 0.052 4.882 ( -0.000 0.000 -2.040) 2.040 4.923 ( 0.000 -0.000 -0.673) 0.673 4.923 ( 0.000 0.000 -0.673) 0.673 5.087 ( 0.000 0.000 1.524) 1.524 5.165 ( -0.000 0.000 4.090) 4.090 5.165 ( 0.000 0.000 4.090) 4.090 5.179 ( 0.000 0.000 2.553) 2.553 5.179 ( 0.000 0.000 2.553) 2.553 5.250 ( -0.000 -0.000 -0.279) 0.279 5.250 ( 0.000 0.000 -0.279) 0.279 5.567 ( 0.000 0.000 0.723) 0.723 5.742 ( 0.000 0.000 -2.341) 2.341 5.768 ( 0.000 -0.000 -11.701) 11.701 5.785 ( -0.000 0.000 3.262) 3.262 5.785 ( -0.000 0.000 3.262) 3.262 5.977 ( 0.000 0.000 -4.850) 4.850 6.140 ( -0.000 0.000 -1.839) 1.839 6.253 ( -0.000 0.000 -2.519) 2.519 6.253 ( -0.000 0.000 -2.519) 2.519 6.533 ( 0.000 0.000 -4.782) 4.782 6.928 ( -0.000 0.000 2.829) 2.829 6.928 ( 0.000 -0.000 2.829) 2.829 6.957 ( 0.000 0.000 1.272) 1.272 7.082 ( 0.000 0.000 -0.142) 0.142 7.082 ( -0.000 -0.000 -0.142) 0.142 7.340 ( 0.000 0.000 -4.997) 4.997 8.000 ( -0.000 0.000 0.830) 0.830 8.000 ( 0.000 0.000 0.830) 0.830 8.127 ( 0.000 0.000 -0.630) 0.630 8.127 ( 0.000 0.000 -0.630) 0.630 9.649 ( 0.000 0.000 7.769) 7.769 9.681 ( 0.000 -0.000 1.745) 1.745 9.681 ( -0.000 -0.000 1.745) 1.745 9.734 ( 0.000 -0.000 0.860) 0.860 9.734 ( 0.000 0.000 0.860) 0.860 10.257 ( 0.000 0.000 3.010) 3.010 10.314 ( 0.000 -0.000 1.624) 1.624 10.314 ( 0.000 0.000 1.624) 1.624 10.715 ( 0.000 -0.000 -2.498) 2.498 10.715 ( 0.000 0.000 -2.498) 2.498 10.792 ( 0.000 -0.000 -1.786) 1.786 10.956 ( 0.000 0.000 -6.732) 6.732 11.205 ( -0.000 0.000 -4.138) 4.138 11.205 ( -0.000 0.000 -4.138) 4.138 11.245 ( -0.000 0.000 -1.068) 1.068 11.245 ( 0.000 0.000 -1.068) 1.068 11.385 ( 0.000 0.000 4.193) 4.193 11.385 ( 0.000 0.000 4.193) 4.193 11.829 ( -0.000 0.000 1.165) 1.165 12.051 ( 0.000 0.000 -8.583) 8.583 12.051 ( -0.000 0.000 -8.583) 8.583 12.053 ( 0.000 0.000 -1.608) 1.608 12.441 ( 0.000 -0.000 7.469) 7.469 12.441 ( 0.000 0.000 7.469) 7.469 12.656 ( 0.000 -0.000 2.962) 2.962 12.974 ( -0.000 -0.000 -1.755) 1.755 13.043 ( -0.000 0.000 1.782) 1.782 13.060 ( 0.000 0.000 -2.168) 2.168 13.060 ( -0.000 0.000 -2.168) 2.168 13.083 ( -0.000 0.000 1.136) 1.136 22.893 ( 0.000 0.000 0.049) 0.049 22.893 ( -0.000 0.000 0.049) 0.049 22.950 ( -0.000 -0.000 -0.644) 0.644 22.950 ( -0.000 -0.000 -0.644) 0.644 22.972 ( -0.000 0.000 -0.741) 0.741 23.046 ( 0.000 0.000 -0.129) 0.129 23.094 ( -0.000 0.000 -0.554) 0.554 23.094 ( 0.000 0.000 -0.554) 0.554 23.146 ( -0.000 -0.000 -4.615) 4.615 23.146 ( 0.000 0.000 -4.615) 4.615 23.438 ( 0.000 0.000 9.850) 9.850 23.438 ( 0.000 0.000 9.850) 9.850 23.593 ( -0.000 0.000 2.353) 2.353 23.677 ( 0.000 0.000 0.913) 0.913 23.677 ( 0.000 0.000 0.913) 0.913 23.711 ( 0.000 0.000 3.022) 3.022 23.912 ( 0.000 0.000 -0.258) 0.258 23.912 ( 0.000 -0.000 -0.258) 0.258 23.947 ( 0.000 0.000 4.404) 4.404 23.990 ( -0.000 -0.000 -2.532) 2.532 24.120 ( 0.000 -0.000 0.054) 0.054 24.120 ( 0.000 0.000 0.054) 0.054 24.791 ( 0.000 0.000 -5.634) 5.634 24.834 ( 0.000 -0.000 -3.055) 3.055 ======================= Grid point 44 (10/32) ======================= q-point: ( 0.17 0.00 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 15.564 8.190 17.475) 24.793 0.795 ( 16.654 10.088 20.211) 28.064 1.020 ( 5.688 3.362 26.218) 27.037 1.170 ( 8.592 4.865 23.491) 25.482 1.451 ( 23.250 13.710 36.814) 45.649 1.792 ( 1.834 0.982 3.588) 4.147 1.970 ( -1.512 -4.044 -1.842) 4.694 2.060 ( 0.532 7.110 -3.151) 7.796 2.152 ( 6.598 1.190 -1.367) 6.843 2.215 ( 2.179 0.972 0.721) 2.492 2.267 ( 0.267 1.898 -1.224) 2.274 2.298 ( -1.222 -4.164 0.881) 4.428 2.361 ( -0.118 0.673 2.610) 2.698 2.583 ( -2.320 0.027 -1.301) 2.660 2.607 ( 0.863 -0.389 0.284) 0.989 2.700 ( 1.199 -0.634 9.748) 9.841 2.734 ( 0.972 1.561 10.135) 10.300 2.865 ( -4.045 -2.651 6.543) 8.136 2.934 ( -1.195 -0.195 3.952) 4.134 3.100 ( 1.795 0.842 2.134) 2.912 3.141 ( 2.531 1.495 0.197) 2.947 3.222 ( -0.666 -0.155 9.008) 9.034 3.418 ( 0.260 0.025 -8.077) 8.082 3.463 ( -10.334 -4.986 2.176) 11.679 3.501 ( -7.185 -5.985 2.516) 9.684 3.629 ( -0.227 0.564 2.882) 2.945 3.692 ( -2.572 -0.296 -3.438) 4.304 3.767 ( -5.681 -1.900 4.575) 7.538 3.793 ( -1.311 -1.870 -8.678) 8.974 3.877 ( 2.066 -0.514 -0.230) 2.141 3.949 ( 1.594 -0.461 0.587) 1.760 4.053 ( -5.822 -1.112 2.396) 6.393 4.101 ( 5.148 2.921 1.745) 6.171 4.113 ( -6.104 -4.033 -1.504) 7.469 4.236 ( -7.497 1.128 -7.705) 10.810 4.282 ( 3.751 -9.182 -9.335) 13.620 4.406 ( 0.254 6.936 -6.945) 9.818 4.431 ( 3.310 3.252 -4.555) 6.502 4.641 ( 3.190 1.217 -5.395) 6.385 4.734 ( 1.451 -3.088 0.406) 3.436 4.763 ( 0.083 1.942 0.258) 1.961 4.787 ( 1.680 0.561 -3.858) 4.245 4.875 ( -1.646 1.916 -1.620) 3.001 4.911 ( 0.225 -1.182 -4.117) 4.289 4.991 ( 7.130 2.979 -4.431) 8.908 5.045 ( -0.430 0.486 -1.582) 1.710 5.110 ( -1.348 -4.481 1.888) 5.046 5.165 ( -1.501 4.355 4.131) 6.187 5.213 ( 0.427 -0.125 -2.476) 2.516 5.246 ( 3.446 1.245 0.271) 3.674 5.276 ( 2.749 0.499 -0.468) 2.833 5.306 ( 3.998 2.721 4.466) 6.583 5.590 ( 1.916 0.808 1.528) 2.580 5.692 ( -4.689 -2.487 -1.689) 5.570 5.725 ( -2.333 -1.608 -7.034) 7.583 5.796 ( 0.609 0.796 0.379) 1.072 5.815 ( 1.246 0.863 1.629) 2.225 5.977 ( -1.382 -0.773 -2.919) 3.320 6.113 ( -3.917 -2.974 4.039) 6.364 6.145 ( 0.325 0.533 -2.819) 2.887 6.297 ( 2.500 1.588 -2.427) 3.829 6.489 ( -2.445 -1.431 -6.443) 7.038 6.910 ( -0.901 -0.362 2.137) 2.347 6.930 ( 0.282 -0.110 2.726) 2.743 6.989 ( 1.952 1.160 1.777) 2.883 7.065 ( -1.658 -0.624 0.255) 1.790 7.095 ( 0.936 0.279 0.328) 1.030 7.280 ( -2.215 -1.272 -0.168) 2.560 7.995 ( -0.412 -0.208 0.813) 0.935 8.006 ( 0.467 0.249 0.847) 0.999 8.127 ( 0.066 0.044 -0.654) 0.659 8.421 ( 11.302 6.512 -18.647) 22.757 9.611 ( -1.962 -0.825 5.197) 5.616 9.655 ( -0.709 -2.549 1.822) 3.212 9.682 ( -0.939 1.952 3.025) 3.721 9.771 ( 2.774 0.597 0.946) 2.991 9.842 ( 7.185 4.485 1.626) 8.625 10.221 ( -3.056 -1.597 2.679) 4.367 10.286 ( -1.906 -0.385 1.504) 2.459 10.299 ( -0.406 -1.198 1.134) 1.698 10.708 ( -0.720 -0.310 -2.839) 2.945 10.772 ( 3.728 1.977 -2.599) 4.956 10.833 ( 3.001 1.844 -1.773) 3.943 10.863 ( -6.484 -3.626 -3.754) 8.323 11.188 ( -1.240 -0.896 -2.066) 2.571 11.204 ( 0.466 0.372 -3.047) 3.105 11.240 ( -0.399 0.230 -2.043) 2.095 11.270 ( 1.853 0.516 -1.153) 2.242 11.390 ( 0.483 -0.145 4.024) 4.055 11.404 ( 1.455 1.366 3.824) 4.313 11.796 ( -2.720 -1.768 0.923) 3.373 11.851 ( -11.621 -6.520 5.925) 14.583 11.988 ( -5.202 -3.005 -2.226) 6.406 12.068 ( 0.126 0.068 -6.929) 6.930 12.290 ( 1.198 0.688 7.126) 7.258 12.451 ( 0.874 0.515 7.524) 7.593 12.700 ( 3.010 1.749 3.414) 4.876 12.926 ( -3.695 -2.105 -2.747) 5.063 13.026 ( -1.277 -0.743 2.272) 2.710 13.073 ( 1.131 0.440 -1.939) 2.287 13.102 ( 2.939 1.875 -1.898) 3.969 13.294 ( 6.051 3.492 -7.907) 10.551 22.854 ( -2.146 -1.357 -0.088) 2.541 22.883 ( -0.210 0.066 -2.216) 2.227 22.942 ( -0.938 0.022 -0.560) 1.092 22.964 ( 0.262 -0.519 -0.749) 0.949 23.000 ( 1.807 0.720 -2.271) 2.990 23.062 ( -0.509 0.284 -1.401) 1.518 23.085 ( 0.015 -0.304 0.450) 0.543 23.117 ( 1.246 0.447 1.252) 1.822 23.175 ( 1.770 2.381 -2.678) 3.997 23.200 ( 4.391 1.577 -3.504) 5.835 23.429 ( -0.944 -0.306 9.297) 9.350 23.448 ( 1.084 0.321 8.863) 8.935 23.582 ( -4.635 -2.781 3.431) 6.403 23.585 ( -1.808 -0.895 3.339) 3.901 23.678 ( 0.234 0.116 1.157) 1.186 23.749 ( 1.729 1.007 1.280) 2.376 23.899 ( -0.882 -0.632 0.323) 1.132 23.913 ( -0.052 0.112 -0.147) 0.192 23.940 ( -2.181 -1.087 -1.125) 2.684 23.954 ( 0.415 -0.019 3.260) 3.286 24.008 ( -5.022 -2.808 4.065) 7.045 24.214 ( 6.597 3.772 -0.160) 7.601 24.772 ( -1.840 -1.004 -5.415) 5.806 24.833 ( -1.087 -0.673 -5.479) 5.627 ======================= Grid point 45 (11/32) ======================= q-point: ( 0.33 0.00 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 4.808 2.850 27.984) 28.536 1.062 ( 18.484 8.352 9.202) 22.273 1.340 ( 15.826 10.194 10.829) 21.717 1.404 ( 11.466 6.080 16.071) 20.658 1.792 ( -6.214 -2.902 1.915) 7.121 1.861 ( -1.937 -3.328 4.111) 5.633 1.953 ( 3.313 7.338 6.863) 10.579 2.124 ( 7.369 5.534 7.341) 11.782 2.179 ( 5.062 3.580 -2.627) 6.734 2.229 ( 0.623 1.278 -1.306) 1.931 2.301 ( 2.615 -1.216 -1.274) 3.153 2.382 ( 0.668 -2.420 -0.385) 2.540 2.439 ( 3.136 2.722 4.412) 6.059 2.521 ( 5.877 4.420 2.945) 7.921 2.640 ( 4.066 1.133 1.684) 4.544 2.696 ( 2.429 -5.550 4.192) 7.367 2.799 ( 1.158 7.531 8.897) 11.713 2.856 ( 1.349 2.281 8.889) 9.275 2.935 ( 1.881 0.506 2.225) 2.957 3.066 ( -3.666 -3.841 5.111) 7.370 3.161 ( -2.869 -2.149 5.770) 6.792 3.232 ( -5.930 -2.159 1.394) 6.463 3.295 ( -2.102 -3.850 -1.222) 4.553 3.303 ( -4.381 -0.753 2.136) 4.932 3.449 ( -1.172 -3.330 -1.260) 3.748 3.495 ( -7.524 -1.726 1.430) 7.850 3.608 ( -6.409 -3.991 -3.292) 8.237 3.671 ( -5.648 2.272 0.193) 6.091 3.768 ( -0.287 1.653 -3.582) 3.956 3.830 ( -3.722 -4.701 1.286) 6.132 3.908 ( 1.107 -4.259 5.615) 7.134 3.949 ( -1.191 -8.449 -1.506) 8.665 4.055 ( -3.786 2.599 0.219) 4.598 4.104 ( -5.649 0.607 2.785) 6.327 4.216 ( -1.262 -0.595 -0.932) 1.678 4.279 ( 8.149 -2.088 -1.172) 8.493 4.428 ( -5.558 8.159 -3.421) 10.449 4.456 ( -0.604 -1.135 -0.589) 1.414 4.627 ( -0.122 -1.961 0.463) 2.019 4.693 ( -4.303 -0.359 -0.876) 4.405 4.739 ( 1.068 -0.655 -7.555) 7.658 4.838 ( 2.664 -2.456 -5.560) 6.636 4.864 ( -0.235 0.738 0.751) 1.079 4.956 ( 2.987 1.631 -5.537) 6.499 5.038 ( -1.013 -2.116 0.587) 2.418 5.077 ( 1.616 1.538 -2.601) 3.427 5.117 ( -0.072 2.622 -7.555) 7.997 5.195 ( -0.609 0.910 -4.161) 4.302 5.243 ( 5.377 -1.686 2.128) 6.024 5.328 ( 2.572 7.159 -0.726) 7.642 5.337 ( 3.142 1.453 -2.672) 4.373 5.381 ( 3.648 -0.900 3.294) 4.997 5.560 ( -3.388 -3.293 1.029) 4.835 5.627 ( -1.038 -0.448 1.873) 2.187 5.675 ( -1.327 -2.710 -5.042) 5.876 5.790 ( -3.537 -1.369 2.573) 4.583 5.820 ( -1.497 2.892 0.572) 3.306 5.960 ( 4.039 2.708 -1.891) 5.218 6.108 ( 1.157 -2.777 -4.287) 5.237 6.200 ( 3.842 2.932 -4.183) 6.392 6.286 ( -4.946 -1.601 -3.722) 6.394 6.470 ( 1.216 0.377 -6.126) 6.257 6.901 ( 0.018 0.205 2.109) 2.119 6.929 ( -0.205 -0.513 2.666) 2.723 7.017 ( 0.846 -2.269 1.074) 2.649 7.033 ( -1.783 2.516 1.140) 3.288 7.128 ( 2.599 0.773 1.159) 2.949 7.240 ( -1.955 -1.005 0.485) 2.251 7.985 ( -0.387 -0.164 0.781) 0.886 8.016 ( 0.436 0.220 0.842) 0.973 8.130 ( 0.142 0.125 -0.732) 0.756 8.516 ( -0.109 -0.122 -12.223) 12.225 9.585 ( -0.770 0.001 4.015) 4.088 9.620 ( -0.716 -1.867 2.762) 3.410 9.680 ( -0.938 1.115 3.742) 4.015 9.813 ( 1.616 0.108 1.672) 2.328 10.021 ( 7.422 4.315 -0.282) 8.590 10.158 ( -1.719 -0.321 3.353) 3.782 10.258 ( -1.402 0.406 1.695) 2.237 10.292 ( 1.034 -1.502 -0.961) 2.061 10.648 ( -7.196 -4.081 -3.310) 8.910 10.713 ( -1.901 -1.350 -1.873) 2.991 10.877 ( 3.041 2.553 -2.888) 4.910 10.895 ( 1.922 1.341 -1.961) 3.056 11.167 ( -0.164 -0.349 -1.397) 1.450 11.219 ( -0.074 0.052 -2.881) 2.882 11.253 ( 1.332 1.461 -1.578) 2.529 11.320 ( 3.682 0.690 1.269) 3.956 11.393 ( 0.627 -1.170 3.902) 4.121 11.454 ( 1.652 3.274 2.837) 4.637 11.672 ( -4.300 -4.888 3.316) 7.306 11.735 ( -3.476 0.287 0.516) 3.526 11.852 ( -5.992 -3.743 -0.158) 7.067 12.065 ( -0.254 -0.162 -7.844) 7.850 12.395 ( 6.166 3.556 -0.748) 7.157 12.475 ( 1.061 0.625 7.599) 7.698 12.765 ( 2.165 1.427 3.558) 4.403 12.827 ( -4.676 -2.795 -3.300) 6.369 12.993 ( -1.391 -0.893 3.001) 3.426 13.099 ( 1.092 0.574 -1.981) 2.334 13.182 ( 3.900 2.318 -2.053) 4.980 13.332 ( -1.241 -0.717 -4.074) 4.319 22.819 ( -0.959 -0.444 -0.101) 1.061 22.884 ( 0.203 -0.256 -2.740) 2.759 22.926 ( -0.791 0.069 -1.159) 1.405 22.953 ( -0.674 -0.537 -1.129) 1.420 23.016 ( -0.169 -0.143 -1.862) 1.875 23.049 ( -0.931 0.075 -1.550) 1.809 23.105 ( 2.054 -1.142 2.493) 3.426 23.129 ( 1.384 0.870 1.452) 2.186 23.218 ( -0.184 2.769 1.298) 3.064 23.285 ( 3.147 1.028 -2.660) 4.247 23.403 ( -1.467 -0.259 7.502) 7.648 23.458 ( -1.711 -3.316 4.501) 5.847 23.494 ( 0.406 1.381 5.891) 6.064 23.566 ( -0.868 -0.447 5.183) 5.274 23.683 ( 0.014 0.003 1.717) 1.717 23.779 ( 0.825 0.504 0.786) 1.246 23.880 ( -0.414 -0.496 0.086) 0.652 23.908 ( -1.333 -0.756 -1.356) 2.046 23.914 ( -0.630 0.423 0.028) 0.759 23.936 ( -0.412 -1.101 1.801) 2.150 23.963 ( -0.142 0.295 2.032) 2.058 24.380 ( 8.044 4.477 -1.276) 9.294 24.697 ( -5.154 -2.675 -4.344) 7.252 24.800 ( -1.185 -0.863 -6.033) 6.209 ======================= Grid point 46 (12/32) ======================= q-point: (-0.50 0.00 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 22.539) 22.539 1.374 ( 0.000 0.000 6.185) 6.185 1.535 ( -0.000 0.000 13.043) 13.043 1.562 ( 0.000 0.000 9.694) 9.694 1.636 ( 0.000 0.000 11.666) 11.666 1.786 ( -0.000 0.000 6.698) 6.698 2.022 ( 0.000 0.000 0.321) 0.321 2.039 ( -0.000 -0.000 -2.669) 2.669 2.231 ( 0.000 0.000 -11.036) 11.036 2.243 ( 0.000 0.000 -6.042) 6.042 2.384 ( -0.000 0.000 -0.173) 0.173 2.422 ( 0.000 -0.000 3.853) 3.853 2.590 ( 0.000 0.000 -3.462) 3.462 2.636 ( 0.000 -0.000 8.957) 8.957 2.728 ( -0.000 0.000 3.377) 3.377 2.783 ( 0.000 0.000 0.610) 0.610 2.814 ( 0.000 0.000 13.370) 13.370 2.851 ( 0.000 0.000 7.887) 7.887 2.976 ( 0.000 0.000 3.671) 3.671 3.013 ( 0.000 0.000 13.384) 13.384 3.110 ( 0.000 0.000 3.824) 3.824 3.138 ( 0.000 0.000 -2.487) 2.487 3.172 ( 0.000 -0.000 6.835) 6.835 3.193 ( 0.000 0.000 1.958) 1.958 3.328 ( -0.000 -0.000 13.008) 13.008 3.510 ( 0.000 0.000 -8.547) 8.547 3.554 ( 0.000 0.000 -3.093) 3.093 3.645 ( -0.000 0.000 -9.566) 9.566 3.762 ( 0.000 0.000 1.702) 1.702 3.841 ( 0.000 -0.000 0.858) 0.858 3.843 ( -0.000 0.000 1.857) 1.857 3.863 ( 0.000 0.000 3.887) 3.887 4.040 ( 0.000 0.000 0.508) 0.508 4.062 ( -0.000 0.000 5.146) 5.146 4.180 ( 0.000 0.000 1.082) 1.082 4.359 ( 0.000 0.000 0.224) 0.224 4.423 ( 0.000 -0.000 -3.574) 3.574 4.436 ( 0.000 0.000 2.927) 2.927 4.618 ( -0.000 0.000 -1.576) 1.576 4.647 ( 0.000 -0.000 -0.189) 0.189 4.744 ( 0.000 0.000 -9.485) 9.485 4.847 ( 0.000 -0.000 -4.025) 4.025 4.873 ( 0.000 -0.000 1.082) 1.082 4.991 ( 0.000 0.000 1.025) 1.025 5.038 ( 0.000 0.000 -8.757) 8.757 5.067 ( -0.000 0.000 -3.633) 3.633 5.167 ( 0.000 0.000 -3.185) 3.185 5.173 ( 0.000 -0.000 -7.528) 7.528 5.273 ( 0.000 -0.000 0.751) 0.751 5.374 ( 0.000 0.000 -3.374) 3.374 5.395 ( 0.000 -0.000 1.536) 1.536 5.409 ( 0.000 0.000 0.597) 0.597 5.564 ( -0.000 -0.000 1.119) 1.119 5.599 ( 0.000 -0.000 1.264) 1.264 5.609 ( 0.000 0.000 2.413) 2.413 5.742 ( 0.000 0.000 -1.567) 1.567 5.825 ( 0.000 0.000 0.099) 0.099 6.068 ( 0.000 0.000 -4.730) 4.730 6.115 ( 0.000 -0.000 -6.786) 6.786 6.167 ( -0.000 0.000 -2.213) 2.213 6.256 ( 0.000 0.000 -5.048) 5.048 6.490 ( 0.000 0.000 -5.302) 5.302 6.913 ( 0.000 0.000 2.571) 2.571 6.914 ( -0.000 -0.000 2.258) 2.258 7.004 ( 0.000 0.000 1.244) 1.244 7.037 ( 0.000 0.000 0.984) 0.984 7.184 ( 0.000 0.000 -0.428) 0.428 7.192 ( 0.000 0.000 2.645) 2.645 7.981 ( 0.000 0.000 0.755) 0.755 8.022 ( 0.000 0.000 0.826) 0.826 8.132 ( 0.000 0.000 -0.791) 0.791 8.504 ( 0.000 0.000 -8.834) 8.834 9.580 ( 0.000 0.000 3.149) 3.149 9.603 ( 0.000 -0.000 3.742) 3.742 9.677 ( 0.000 0.000 3.673) 3.673 9.827 ( 0.000 0.000 1.926) 1.926 10.083 ( 0.000 0.000 -0.636) 0.636 10.195 ( 0.000 0.000 2.702) 2.702 10.248 ( 0.000 0.000 1.798) 1.798 10.295 ( 0.000 0.000 -1.678) 1.678 10.525 ( -0.000 0.000 -1.608) 1.608 10.699 ( 0.000 0.000 -2.634) 2.634 10.917 ( 0.000 -0.000 -2.016) 2.016 10.918 ( -0.000 0.000 -3.139) 3.139 11.169 ( 0.000 0.000 -1.919) 1.919 11.212 ( 0.000 0.000 -2.435) 2.435 11.280 ( 0.000 0.000 -0.413) 0.413 11.374 ( 0.000 -0.000 3.207) 3.207 11.386 ( 0.000 0.000 3.001) 3.001 11.505 ( 0.000 0.000 3.573) 3.573 11.590 ( 0.000 -0.000 -0.481) 0.481 11.709 ( 0.000 -0.000 -1.094) 1.094 11.768 ( 0.000 0.000 1.812) 1.812 12.062 ( 0.000 0.000 -8.343) 8.343 12.487 ( 0.000 0.000 7.522) 7.522 12.489 ( -0.000 -0.000 -2.693) 2.693 12.746 ( 0.000 0.000 -3.643) 3.643 12.799 ( 0.000 -0.000 4.472) 4.472 12.975 ( 0.000 0.000 2.922) 2.922 13.112 ( 0.000 0.000 -2.035) 2.035 13.257 ( 0.000 0.000 -3.219) 3.219 13.284 ( -0.000 -0.000 -1.746) 1.746 22.810 ( 0.000 0.000 -0.060) 0.060 22.882 ( 0.000 -0.000 -2.201) 2.201 22.922 ( 0.000 0.000 -1.689) 1.689 22.942 ( 0.000 0.000 -1.268) 1.268 23.011 ( 0.000 0.000 -0.476) 0.476 23.041 ( 0.000 -0.000 -1.991) 1.991 23.110 ( 0.000 0.000 1.688) 1.688 23.173 ( -0.000 0.000 1.875) 1.875 23.218 ( 0.000 0.000 3.521) 3.521 23.312 ( 0.000 0.000 -2.215) 2.215 23.389 ( 0.000 0.000 5.096) 5.096 23.417 ( 0.000 0.000 4.682) 4.682 23.523 ( -0.000 0.000 4.000) 4.000 23.555 ( 0.000 0.000 6.459) 6.459 23.679 ( 0.000 0.000 2.877) 2.877 23.786 ( 0.000 0.000 0.944) 0.944 23.878 ( 0.000 0.000 -0.042) 0.042 23.883 ( -0.000 -0.000 -1.189) 1.189 23.915 ( 0.000 0.000 -0.388) 0.388 23.932 ( 0.000 0.000 1.041) 1.041 23.964 ( 0.000 0.000 1.525) 1.525 24.544 ( 0.000 0.000 -2.247) 2.247 24.567 ( -0.000 -0.000 -3.491) 3.491 24.786 ( 0.000 0.000 -6.180) 6.180 ======================= Grid point 51 (13/32) ======================= q-point: ( 0.17 0.17 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 5.386 11.174 23.668) 26.722 0.984 ( 7.689 14.622 16.053) 23.035 1.230 ( 9.994 15.818 9.653) 21.054 1.336 ( 6.163 11.421 17.368) 21.681 1.804 ( 0.367 1.355 4.038) 4.275 1.875 ( 16.023 22.582 21.989) 35.358 1.967 ( -4.828 1.626 -0.724) 5.145 2.026 ( 5.356 -4.771 0.395) 7.184 2.124 ( -2.417 -8.079 3.622) 9.177 2.198 ( -3.837 -0.442 -2.618) 4.665 2.336 ( 4.825 10.264 -0.169) 11.343 2.348 ( -2.003 -0.801 -0.345) 2.185 2.467 ( 5.844 11.890 0.597) 13.262 2.539 ( 1.666 -5.604 -0.927) 5.919 2.612 ( -1.726 2.007 0.944) 2.810 2.662 ( -4.696 -0.516 7.997) 9.288 2.780 ( 4.643 2.961 9.461) 10.947 2.839 ( 2.083 1.405 6.436) 6.909 2.929 ( -0.301 -0.423 3.285) 3.326 3.136 ( 0.034 -0.646 2.527) 2.609 3.164 ( -3.348 0.735 4.278) 5.482 3.220 ( 4.097 1.022 4.692) 6.312 3.290 ( -5.914 -8.913 1.581) 10.813 3.355 ( -4.121 -6.542 -0.327) 7.739 3.467 ( -0.026 2.403 -2.494) 3.464 3.571 ( -4.140 -6.120 -4.274) 8.536 3.583 ( -1.607 -10.249 0.732) 10.400 3.733 ( -1.161 0.590 -0.419) 1.368 3.752 ( 0.557 -7.479 1.778) 7.707 3.894 ( -2.600 4.890 1.211) 5.669 3.906 ( -6.379 -8.012 1.108) 10.301 3.945 ( -5.694 -2.796 0.340) 6.352 4.102 ( 5.640 -4.331 -3.087) 7.752 4.115 ( -2.949 -3.755 2.035) 5.190 4.167 ( -1.056 -0.329 -0.557) 1.238 4.273 ( -4.341 4.511 -4.033) 7.447 4.437 ( 4.549 -1.348 -1.171) 4.887 4.494 ( 7.186 0.738 -4.510) 8.516 4.644 ( 0.005 -4.334 -2.235) 4.877 4.699 ( -5.870 3.212 2.062) 7.002 4.737 ( -3.695 -2.623 -2.175) 5.026 4.773 ( 1.884 -1.147 -1.385) 2.604 4.911 ( 0.482 0.676 -5.878) 5.936 4.930 ( -0.453 2.434 -6.272) 6.743 5.014 ( 0.191 -0.309 -1.312) 1.362 5.085 ( -1.376 2.797 -4.289) 5.302 5.101 ( 4.607 0.196 2.987) 5.494 5.174 ( -0.528 0.248 -4.935) 4.969 5.228 ( 0.337 1.425 -3.669) 3.951 5.294 ( 3.070 2.938 -0.393) 4.268 5.326 ( 1.696 2.816 -0.655) 3.352 5.383 ( 1.898 5.348 4.188) 7.053 5.605 ( -3.617 -1.520 -0.310) 3.935 5.623 ( 0.935 -1.380 2.077) 2.663 5.685 ( -2.144 -1.190 -6.453) 6.903 5.789 ( 0.550 -0.925 0.752) 1.313 5.856 ( 4.814 -0.900 2.260) 5.394 5.907 ( -4.429 -2.828 0.150) 5.257 6.123 ( -2.134 3.169 -3.696) 5.316 6.161 ( 3.162 1.503 -3.605) 5.025 6.311 ( -0.034 -1.459 -2.948) 3.289 6.475 ( 0.289 0.945 -6.731) 6.804 6.900 ( -0.004 -0.329 2.030) 2.056 6.930 ( -0.358 0.072 2.466) 2.493 7.004 ( -0.972 -0.854 1.493) 1.976 7.061 ( 2.205 0.861 1.030) 2.581 7.107 ( -0.335 1.328 1.034) 1.717 7.251 ( -0.946 -1.766 0.257) 2.020 7.988 ( -0.124 -0.318 0.820) 0.888 8.012 ( 0.112 0.256 0.843) 0.888 8.147 ( 1.130 1.891 -1.060) 2.444 8.503 ( 0.130 0.318 -14.146) 14.151 9.584 ( -0.516 -1.406 3.449) 3.761 9.636 ( -1.955 -0.168 3.325) 3.861 9.680 ( 1.423 -1.617 4.259) 4.773 9.800 ( 0.146 2.015 0.271) 2.039 9.979 ( 5.319 8.964 1.168) 10.489 10.166 ( -1.539 -3.692 2.858) 4.916 10.259 ( 0.124 -1.175 1.230) 1.706 10.295 ( -1.476 0.288 0.416) 1.560 10.668 ( -2.113 -4.013 -3.560) 5.766 10.721 ( -4.443 -7.119 -1.797) 8.582 10.874 ( 3.432 5.053 -2.799) 6.719 10.902 ( 2.820 4.254 -3.366) 6.114 11.192 ( 0.122 0.723 -0.362) 0.818 11.206 ( 0.320 1.119 -1.713) 2.071 11.233 ( 0.982 -0.565 -2.283) 2.549 11.295 ( -0.414 1.886 -0.202) 1.942 11.400 ( -1.234 1.077 3.501) 3.865 11.432 ( 2.963 0.939 3.599) 4.755 11.695 ( -4.919 -6.076 4.316) 8.930 11.761 ( -0.528 -3.258 1.066) 3.468 11.889 ( -3.823 -6.393 -0.685) 7.481 12.066 ( -0.200 -0.322 -7.632) 7.641 12.360 ( 3.568 6.188 0.398) 7.154 12.469 ( 0.708 1.199 7.651) 7.777 12.753 ( 1.975 3.234 3.664) 5.271 12.850 ( -3.098 -5.296 -3.569) 7.098 12.996 ( -1.319 -2.179 3.081) 3.997 13.107 ( 1.223 2.389 -2.177) 3.456 13.151 ( 2.006 3.218 -1.816) 4.204 13.337 ( 0.039 0.069 -4.965) 4.965 22.814 ( -1.255 -2.252 -0.467) 2.620 22.882 ( -0.057 0.113 -1.792) 1.796 22.919 ( -0.284 -0.856 -1.053) 1.386 22.979 ( -0.476 -0.754 -2.422) 2.581 23.029 ( 1.557 2.337 -1.927) 3.405 23.067 ( 0.763 0.004 -0.567) 0.951 23.082 ( -1.252 0.997 1.643) 2.294 23.122 ( -0.705 0.015 2.434) 2.534 23.211 ( 4.073 1.251 -2.092) 4.747 23.260 ( 0.373 3.322 -1.539) 3.680 23.416 ( 0.082 -1.286 7.509) 7.619 23.458 ( -1.611 0.639 7.098) 7.307 23.504 ( -1.024 -3.106 5.119) 6.075 23.571 ( -0.496 -0.948 4.628) 4.750 23.679 ( -0.154 -0.234 1.327) 1.357 23.773 ( 0.684 1.137 0.773) 1.536 23.885 ( -0.598 -0.597 0.221) 0.873 23.914 ( -0.391 -0.724 -0.803) 1.150 23.917 ( 0.311 -0.698 -0.224) 0.796 23.944 ( -1.798 -1.308 1.794) 2.857 23.963 ( 0.306 -0.523 2.582) 2.652 24.332 ( 4.419 7.872 -0.915) 9.074 24.740 ( -1.182 -2.678 -5.222) 5.987 24.793 ( -2.021 -3.008 -5.385) 6.491 ======================= Grid point 52 (14/32) ======================= q-point: ( 0.33 0.17 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.487 4.930 22.183) 22.773 1.323 ( 9.167 17.677 4.208) 20.352 1.523 ( 7.131 5.719 11.948) 15.044 1.539 ( 7.029 7.789 12.553) 16.360 1.791 ( -12.872 3.333 3.416) 13.728 1.815 ( 0.509 -2.528 4.553) 5.233 1.931 ( -8.244 -6.017 8.239) 13.117 2.101 ( 10.679 -9.132 2.764) 14.320 2.178 ( -5.799 -8.510 1.240) 10.372 2.242 ( 4.216 5.515 -9.959) 12.139 2.336 ( 3.740 7.300 0.350) 8.210 2.435 ( -1.458 1.660 -1.096) 2.466 2.561 ( 6.293 -1.856 0.655) 6.594 2.623 ( 0.380 4.630 3.248) 5.668 2.679 ( 5.114 8.284 7.368) 12.209 2.688 ( 6.107 8.578 2.399) 10.800 2.856 ( -2.888 -0.981 2.936) 4.233 2.954 ( 4.323 3.752 1.745) 5.984 2.975 ( 6.282 7.346 10.105) 13.983 2.999 ( -6.299 -3.228 6.565) 9.655 3.124 ( -0.698 -1.775 3.444) 3.936 3.154 ( -4.174 -3.574 3.119) 6.318 3.245 ( -4.584 -3.617 6.536) 8.765 3.259 ( -3.791 2.010 1.221) 4.462 3.351 ( -9.386 -4.767 6.909) 12.592 3.468 ( 0.383 -5.829 -3.234) 6.677 3.553 ( -0.865 0.208 -6.829) 6.886 3.664 ( 3.827 -6.114 0.690) 7.245 3.721 ( 0.646 -5.537 4.830) 7.376 3.751 ( -2.553 -2.782 2.951) 4.793 3.844 ( -3.227 -0.519 -3.336) 4.670 3.914 ( -1.964 3.805 0.355) 4.297 3.997 ( 0.136 -5.395 0.069) 5.397 4.102 ( -1.494 -3.591 1.576) 4.197 4.134 ( 0.963 -2.602 1.149) 3.003 4.369 ( 3.304 6.140 -0.564) 6.995 4.446 ( -1.091 1.328 1.368) 2.197 4.538 ( -7.272 1.922 -2.498) 7.925 4.581 ( -2.637 -2.960 1.979) 4.431 4.663 ( 7.364 -5.571 -3.568) 9.899 4.711 ( -0.928 1.714 -0.700) 2.071 4.783 ( 1.623 -2.629 -1.312) 3.356 4.885 ( -0.417 0.388 -3.897) 3.938 4.976 ( 1.226 2.475 -6.462) 7.028 5.040 ( 0.566 2.101 -3.646) 4.245 5.109 ( -1.280 1.130 -0.774) 1.875 5.123 ( -2.345 -0.807 -5.174) 5.738 5.183 ( 6.579 -2.569 0.791) 7.107 5.217 ( -0.969 -1.414 -4.578) 4.888 5.368 ( 1.040 0.182 -1.549) 1.874 5.377 ( 2.517 1.700 -1.913) 3.589 5.427 ( -0.661 0.071 1.197) 1.369 5.563 ( -0.958 4.067 -0.567) 4.216 5.625 ( -0.333 1.019 -0.845) 1.365 5.656 ( -1.779 1.732 -1.640) 2.975 5.773 ( -2.990 -0.815 2.129) 3.760 5.829 ( -1.227 -0.444 -0.415) 1.369 5.963 ( 8.792 -2.028 -2.270) 9.304 6.070 ( -2.617 -4.854 -4.749) 7.277 6.223 ( -0.596 3.198 -4.119) 5.248 6.286 ( -0.884 0.495 -4.838) 4.943 6.505 ( 0.214 2.480 -5.629) 6.155 6.907 ( 0.709 0.556 2.189) 2.367 6.921 ( -0.744 -0.190 2.119) 2.254 6.972 ( 0.094 -2.421 1.489) 2.844 7.092 ( -2.096 3.294 1.168) 4.076 7.141 ( 3.656 0.695 1.464) 3.999 7.210 ( -1.727 -2.180 0.833) 2.903 7.985 ( -0.251 0.324 0.810) 0.907 8.014 ( 0.339 -0.530 0.812) 1.027 8.189 ( -1.276 5.847 -2.037) 6.322 8.466 ( 0.313 -5.163 -8.514) 9.962 9.569 ( 0.129 -1.100 1.862) 2.166 9.616 ( -0.751 0.888 4.603) 4.748 9.672 ( -0.043 -1.631 5.276) 5.523 9.819 ( 0.613 0.375 -0.673) 0.985 10.099 ( -1.184 1.042 1.847) 2.429 10.176 ( 5.131 4.852 1.484) 7.216 10.267 ( -0.733 0.214 1.810) 1.964 10.271 ( 0.696 0.052 -0.368) 0.789 10.520 ( -4.546 -8.378 -2.006) 9.741 10.650 ( 0.758 -3.965 -2.159) 4.578 10.950 ( -0.372 4.416 -4.211) 6.113 10.979 ( -0.096 4.815 -5.623) 7.403 11.194 ( -1.675 3.327 -0.301) 3.737 11.232 ( -0.518 1.662 -0.699) 1.876 11.267 ( 2.159 0.576 -0.449) 2.279 11.324 ( 4.206 0.057 2.764) 5.033 11.379 ( -1.115 -1.118 3.595) 3.926 11.467 ( 1.271 -4.015 4.013) 5.817 11.592 ( -1.385 -1.513 -0.206) 2.061 11.728 ( -1.409 -1.254 -0.631) 1.989 11.775 ( -2.464 -2.998 1.197) 4.061 12.060 ( -0.050 -0.336 -8.433) 8.440 12.484 ( 1.711 2.737 3.671) 4.888 12.496 ( 1.928 3.930 1.315) 4.571 12.739 ( -2.723 -5.641 -3.936) 7.398 12.811 ( 0.813 2.952 4.185) 5.185 12.951 ( -0.289 -3.217 3.480) 4.748 13.143 ( -0.610 3.270 -2.422) 4.115 13.225 ( 3.455 1.991 -2.181) 4.545 13.304 ( -2.206 -2.108 -2.687) 4.066 22.785 ( 0.326 -2.136 -0.526) 2.224 22.883 ( 0.093 0.422 -1.324) 1.392 22.911 ( 0.062 -0.896 -1.244) 1.535 22.956 ( -0.737 -0.592 -2.580) 2.748 23.058 ( -2.553 2.461 0.909) 3.660 23.070 ( -1.781 2.693 -0.571) 3.279 23.090 ( 2.332 0.389 0.559) 2.430 23.130 ( 2.350 -0.387 2.329) 3.331 23.260 ( -2.012 -0.698 -0.563) 2.203 23.287 ( 2.731 0.344 -1.566) 3.167 23.399 ( -2.091 -0.679 5.655) 6.067 23.410 ( 0.454 -0.790 4.600) 4.689 23.524 ( 0.938 2.323 5.133) 5.711 23.556 ( -0.206 -0.431 6.672) 6.689 23.662 ( -0.014 -2.397 2.606) 3.540 23.785 ( 0.121 0.089 0.897) 0.909 23.875 ( -0.106 -0.062 -0.209) 0.242 23.889 ( -0.629 -0.893 -0.832) 1.373 23.924 ( -0.592 0.355 0.187) 0.715 23.927 ( 0.540 0.215 0.589) 0.828 23.962 ( 0.013 -0.331 1.485) 1.522 24.493 ( 5.744 6.863 -2.329) 9.248 24.653 ( -6.711 -1.882 -4.120) 8.097 24.749 ( 1.469 -4.332 -5.474) 7.134 ======================= Grid point 53 (15/32) ======================= q-point: (-0.50 0.17 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -5.175 1.287 22.232) 22.862 1.370 ( -20.185 -0.805 5.377) 20.904 1.494 ( -9.689 -2.733 11.540) 15.314 1.554 ( -8.539 -1.441 7.693) 11.584 1.750 ( 4.972 3.235 8.354) 10.246 1.803 ( 4.383 10.311 8.862) 14.285 1.998 ( 2.235 -0.917 3.344) 4.125 2.030 ( 5.379 -3.962 -2.562) 7.155 2.169 ( 4.611 -4.376 4.154) 7.593 2.256 ( -5.610 -2.434 -8.503) 10.473 2.356 ( -7.081 -3.786 4.269) 9.093 2.408 ( 1.349 7.613 -3.274) 8.396 2.561 ( -2.422 -6.756 2.346) 7.551 2.614 ( -4.208 2.535 -1.185) 5.053 2.699 ( -4.582 -4.071 7.275) 9.513 2.755 ( -9.379 -3.463 4.076) 10.797 2.836 ( -5.645 5.377 2.433) 8.167 2.920 ( -6.498 3.460 10.920) 13.170 2.934 ( -0.939 -2.468 3.443) 4.339 3.041 ( 5.632 -0.110 6.781) 8.816 3.116 ( 0.789 0.646 3.045) 3.211 3.182 ( 2.586 0.043 2.541) 3.626 3.195 ( 6.143 5.831 2.959) 8.972 3.300 ( 2.562 3.251 5.009) 6.498 3.415 ( 8.080 -0.507 7.216) 10.845 3.457 ( 2.608 6.972 -0.197) 7.446 3.482 ( 3.537 -4.688 -6.571) 8.812 3.603 ( -2.484 -2.372 -5.219) 6.248 3.727 ( 6.527 -4.181 4.185) 8.809 3.802 ( 0.130 -0.621 0.385) 0.742 3.891 ( 7.385 4.162 -0.061) 8.477 3.945 ( 6.121 -3.631 -0.913) 7.175 3.986 ( 0.626 -0.609 2.740) 2.876 4.048 ( -1.799 0.884 0.189) 2.014 4.151 ( 3.778 -2.183 3.584) 5.646 4.384 ( -5.126 -1.301 -2.436) 5.823 4.433 ( -3.655 4.916 0.905) 6.193 4.479 ( -1.902 4.299 1.429) 4.914 4.572 ( 4.339 -2.311 -2.487) 5.510 4.693 ( 2.998 -2.067 -6.620) 7.556 4.725 ( -2.106 4.139 -0.241) 4.650 4.781 ( 3.220 -7.651 2.889) 8.789 4.903 ( 1.661 0.296 -3.493) 3.879 4.997 ( -0.946 0.190 -6.966) 7.033 5.012 ( -4.517 0.339 -3.473) 5.708 5.076 ( -0.782 2.675 -0.356) 2.810 5.138 ( 1.191 -1.024 -1.415) 2.114 5.175 ( -1.223 -1.433 -7.269) 7.509 5.250 ( 3.725 -4.196 -1.035) 5.705 5.349 ( -3.134 0.101 -2.391) 3.943 5.377 ( -2.213 -0.374 -2.604) 3.438 5.434 ( 0.524 0.399 1.134) 1.311 5.585 ( -2.546 1.556 1.363) 3.280 5.605 ( 0.693 1.137 -0.763) 1.535 5.713 ( -2.819 2.639 -3.438) 5.170 5.722 ( 3.895 2.008 1.278) 4.564 5.816 ( -0.964 0.616 2.725) 2.955 5.959 ( -2.348 -6.749 -2.939) 7.727 6.083 ( 6.882 -1.845 -5.375) 8.925 6.243 ( -2.595 2.579 -4.356) 5.688 6.264 ( -0.693 0.951 -4.279) 4.438 6.507 ( -2.043 0.983 -5.662) 6.099 6.904 ( -0.780 -0.168 2.045) 2.195 6.926 ( 0.585 0.383 2.462) 2.559 6.973 ( 2.341 -1.492 1.312) 3.071 7.080 ( -2.710 3.038 1.261) 4.262 7.153 ( -2.138 -2.468 1.357) 3.536 7.206 ( 2.983 0.672 0.838) 3.170 7.985 ( -0.192 0.382 0.792) 0.900 8.014 ( 0.309 -0.555 0.839) 1.053 8.188 ( -4.453 4.029 -1.945) 6.312 8.467 ( 4.350 -2.856 -8.599) 10.051 9.567 ( 0.719 -0.566 1.949) 2.153 9.626 ( 0.414 1.126 4.962) 5.105 9.660 ( 0.419 -0.801 4.463) 4.554 9.824 ( -0.171 -0.472 -0.281) 0.576 10.101 ( 0.335 1.709 2.379) 2.948 10.167 ( -7.657 -1.968 0.794) 7.946 10.254 ( -1.089 0.482 2.077) 2.395 10.292 ( 1.316 -0.583 -0.718) 1.609 10.521 ( 9.513 -0.277 -1.902) 9.705 10.649 ( 3.076 -2.660 -2.147) 4.598 10.946 ( -3.956 2.686 -4.204) 6.367 10.975 ( -4.488 2.603 -4.991) 7.199 11.198 ( -1.902 3.021 -0.122) 3.572 11.224 ( -0.985 1.176 -1.563) 2.190 11.265 ( -2.189 -1.903 -0.042) 2.901 11.339 ( -1.145 -2.963 2.215) 3.873 11.405 ( 2.994 0.461 4.192) 5.172 11.431 ( 0.459 -2.840 3.241) 4.333 11.613 ( 3.780 -1.066 0.058) 3.928 11.706 ( 0.514 1.846 0.105) 1.919 11.783 ( 3.920 0.288 0.631) 3.980 12.060 ( 0.326 -0.128 -8.416) 8.423 12.483 ( -3.224 -0.105 3.640) 4.864 12.496 ( -4.377 0.288 1.359) 4.592 12.738 ( 6.043 -0.418 -3.867) 7.187 12.812 ( -2.799 0.753 4.124) 5.041 12.952 ( 2.983 -1.390 3.512) 4.813 13.143 ( -2.500 2.175 -2.511) 4.158 13.224 ( -3.491 -1.999 -2.162) 4.567 13.304 ( 2.930 0.856 -2.665) 4.052 22.784 ( 1.617 -1.305 -0.588) 2.160 22.888 ( -0.205 -0.107 -1.469) 1.487 22.906 ( 0.582 -0.290 -0.891) 1.103 22.957 ( 0.930 0.334 -2.584) 2.767 23.044 ( -1.850 2.486 0.315) 3.115 23.066 ( -1.215 2.044 -0.500) 2.430 23.115 ( 0.896 -0.213 2.527) 2.690 23.142 ( -1.701 -2.730 0.385) 3.240 23.222 ( -0.913 1.296 0.420) 1.640 23.296 ( -0.305 -1.096 -1.850) 2.172 23.394 ( 0.417 0.694 5.184) 5.247 23.428 ( 2.468 -0.406 4.865) 5.470 23.523 ( -2.933 0.409 5.255) 6.032 23.555 ( 0.524 -0.044 6.268) 6.290 23.662 ( 2.090 -1.177 2.775) 3.668 23.785 ( -0.156 -0.057 0.889) 0.904 23.878 ( 0.199 -0.101 -0.017) 0.223 23.886 ( 1.038 0.264 -0.965) 1.442 23.917 ( -0.610 0.328 -0.073) 0.696 23.935 ( 0.251 -0.020 0.887) 0.922 23.960 ( 0.091 -0.143 1.365) 1.375 24.496 ( -8.914 -1.753 -2.368) 9.388 24.647 ( 4.975 4.885 -4.015) 8.045 24.751 ( 3.157 -3.252 -5.534) 7.153 ======================= Grid point 58 (16/32) ======================= q-point: ( 0.33 0.33 0.14) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 -0.000 18.042) 18.042 1.567 ( -0.773 -1.547 7.251) 7.454 1.567 ( 0.773 1.547 7.251) 7.454 1.721 ( -0.000 0.000 2.442) 2.442 1.739 ( -2.158 -4.317 3.888) 6.197 1.739 ( 2.158 4.317 3.888) 6.197 1.911 ( -0.000 -0.000 10.145) 10.145 2.020 ( -1.958 -3.915 10.947) 11.790 2.020 ( 1.958 3.915 10.947) 11.790 2.365 ( 0.000 -0.000 -1.954) 1.954 2.403 ( -2.855 -5.711 -10.667) 12.432 2.403 ( 2.855 5.711 -10.667) 12.432 2.473 ( 0.000 -0.000 2.513) 2.513 2.732 ( -2.776 -5.551 0.277) 6.213 2.732 ( 2.776 5.551 0.277) 6.213 2.841 ( -3.071 -6.141 6.289) 9.311 2.841 ( 3.071 6.141 6.289) 9.311 2.962 ( -1.538 -3.077 3.896) 5.197 2.962 ( 1.538 3.077 3.896) 5.197 3.059 ( -0.000 -0.000 1.981) 1.981 3.121 ( 0.000 -0.000 3.657) 3.657 3.212 ( -0.828 -1.657 9.005) 9.194 3.212 ( 0.828 1.657 9.005) 9.194 3.236 ( 0.000 -0.000 -2.511) 2.511 3.295 ( -0.000 -0.000 8.473) 8.473 3.442 ( -0.000 0.000 -4.824) 4.824 3.525 ( -1.562 -3.124 4.314) 5.551 3.525 ( 1.562 3.124 4.314) 5.551 3.652 ( -0.000 -0.000 3.819) 3.819 3.804 ( -2.347 -4.694 -2.925) 6.008 3.804 ( 2.347 4.694 -2.925) 6.008 3.878 ( -0.000 -0.000 -3.912) 3.912 4.029 ( -1.660 -3.319 3.767) 5.288 4.029 ( 1.660 3.319 3.767) 5.288 4.098 ( -0.000 -0.000 0.065) 0.065 4.477 ( -2.159 -4.318 -3.055) 5.713 4.477 ( 2.159 4.318 -3.055) 5.713 4.515 ( -0.000 0.000 6.098) 6.098 4.563 ( -1.728 -3.455 0.732) 3.932 4.563 ( 1.728 3.455 0.732) 3.932 4.704 ( -0.000 -0.000 -3.156) 3.156 4.830 ( -2.115 -4.230 -1.992) 5.132 4.830 ( 2.115 4.230 -1.992) 5.132 5.049 ( -0.000 -0.000 -10.832) 10.832 5.086 ( -0.899 -1.798 -2.711) 3.375 5.086 ( 0.899 1.798 -2.711) 3.375 5.122 ( -0.000 -0.000 5.085) 5.085 5.166 ( -0.772 -1.543 -2.812) 3.299 5.166 ( 0.772 1.543 -2.812) 3.299 5.362 ( -0.000 -0.000 -3.900) 3.900 5.406 ( -0.673 -1.345 -1.946) 2.459 5.406 ( 0.673 1.345 -1.946) 2.459 5.622 ( -0.000 -0.000 -5.050) 5.050 5.653 ( -1.726 -3.452 0.135) 3.861 5.653 ( 1.726 3.452 0.135) 3.861 5.785 ( -0.000 -0.000 2.709) 2.709 5.855 ( -0.000 -0.000 -1.559) 1.559 5.952 ( -1.390 -2.779 -2.758) 4.155 5.952 ( 1.390 2.779 -2.758) 4.155 6.281 ( -0.383 -0.766 -4.706) 4.783 6.281 ( 0.383 0.766 -4.706) 4.783 6.533 ( -0.000 -0.000 -5.611) 5.611 6.918 ( -0.000 -0.000 2.161) 2.161 6.930 ( -0.713 -1.426 1.767) 2.380 6.930 ( 0.713 1.426 1.767) 2.380 7.148 ( 0.000 -0.000 3.320) 3.320 7.157 ( -0.916 -1.832 0.284) 2.068 7.157 ( 0.916 1.832 0.284) 2.068 7.999 ( -0.410 -0.820 0.809) 1.223 7.999 ( 0.410 0.820 0.809) 1.223 8.332 ( -3.604 -7.207 -4.986) 9.476 8.332 ( 3.604 7.207 -4.986) 9.476 9.557 ( -0.000 -0.000 0.891) 0.891 9.640 ( -0.595 -1.191 5.622) 5.778 9.640 ( 0.595 1.191 5.622) 5.778 9.821 ( -0.000 -0.000 -2.286) 2.286 10.095 ( -0.000 -0.000 4.976) 4.976 10.260 ( -0.757 -1.514 -0.176) 1.702 10.260 ( 0.757 1.514 -0.176) 1.702 10.348 ( -3.916 -7.832 0.018) 8.757 10.348 ( 3.916 7.832 0.018) 8.757 10.605 ( -0.000 -0.000 -2.182) 2.182 11.015 ( -0.598 -1.196 -7.457) 7.576 11.015 ( 0.598 1.196 -7.457) 7.576 11.242 ( -0.000 -0.000 -1.732) 1.732 11.286 ( -1.473 -2.946 1.852) 3.779 11.286 ( 1.473 2.946 1.852) 3.779 11.344 ( -2.399 -4.798 4.940) 7.292 11.344 ( 2.399 4.798 4.940) 7.292 11.359 ( 0.000 -0.000 3.073) 3.073 11.578 ( -0.000 -0.000 -2.345) 2.345 11.733 ( -0.860 -1.721 0.583) 2.010 11.733 ( 0.860 1.721 0.583) 2.010 12.056 ( -0.000 -0.000 -8.793) 8.793 12.495 ( -0.000 -0.000 7.803) 7.803 12.617 ( -2.989 -5.977 -3.850) 7.712 12.617 ( 2.989 5.977 -3.850) 7.712 12.880 ( -1.742 -3.484 4.110) 5.662 12.880 ( 1.742 3.484 4.110) 5.662 13.187 ( -0.000 -0.000 -3.536) 3.536 13.260 ( -0.918 -1.837 -1.837) 2.755 13.260 ( 0.918 1.837 -1.837) 2.755 22.762 ( -0.000 -0.000 -0.672) 0.672 22.895 ( -0.288 -0.576 -0.898) 1.105 22.895 ( 0.288 0.576 -0.898) 1.105 22.948 ( -0.000 -0.000 -3.108) 3.108 23.082 ( -0.000 -0.000 3.806) 3.806 23.093 ( -0.532 -1.064 1.365) 1.810 23.093 ( 0.532 1.064 1.365) 1.810 23.187 ( -2.029 -4.059 -2.143) 5.019 23.187 ( 2.029 4.059 -2.143) 5.019 23.308 ( -0.000 -0.000 -0.704) 0.704 23.396 ( -0.197 -0.394 4.403) 4.425 23.396 ( 0.197 0.394 4.403) 4.425 23.550 ( -0.000 -0.000 7.180) 7.180 23.594 ( -1.874 -3.748 4.315) 6.015 23.594 ( 1.874 3.748 4.315) 6.015 23.785 ( -0.000 -0.000 0.830) 0.830 23.877 ( -0.135 -0.269 -0.414) 0.512 23.877 ( 0.135 0.269 -0.414) 0.512 23.930 ( -0.141 -0.282 0.402) 0.511 23.930 ( 0.141 0.282 0.402) 0.511 23.957 ( -0.000 -0.000 0.855) 0.855 24.618 ( -1.699 -3.398 -3.719) 5.317 24.618 ( 1.699 3.398 -3.719) 5.317 24.664 ( 0.000 -0.000 -4.630) 4.630 ======================= Grid point 86 (17/32) ======================= q-point: ( 0.00 0.00 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 0.000 25.908) 25.908 0.978 ( -0.000 0.000 25.908) 25.908 1.584 ( -0.000 -0.000 22.767) 22.767 1.584 ( 0.000 0.000 22.767) 22.767 1.929 ( 0.000 0.000 9.074) 9.074 1.948 ( 0.000 0.000 -7.525) 7.525 1.948 ( 0.000 0.000 -7.525) 7.525 2.084 ( -0.000 0.000 45.748) 45.748 2.092 ( 0.000 0.000 8.563) 8.563 2.092 ( 0.000 0.000 8.563) 8.563 2.298 ( 0.000 0.000 -6.709) 6.709 2.298 ( 0.000 0.000 -6.709) 6.709 2.352 ( 0.000 0.000 -1.642) 1.642 2.583 ( 0.000 0.000 1.565) 1.565 2.583 ( 0.000 0.000 1.565) 1.565 2.970 ( 0.000 0.000 14.954) 14.954 2.970 ( -0.000 0.000 14.954) 14.954 3.030 ( 0.000 -0.000 2.962) 2.962 3.030 ( -0.000 0.000 2.962) 2.962 3.110 ( 0.000 0.000 -1.404) 1.404 3.166 ( -0.000 0.000 6.102) 6.102 3.295 ( 0.000 0.000 -4.368) 4.368 3.444 ( 0.000 -0.000 5.802) 5.802 3.533 ( 0.000 0.000 -14.121) 14.121 3.533 ( 0.000 -0.000 -14.121) 14.121 3.688 ( -0.000 0.000 3.902) 3.902 3.688 ( -0.000 0.000 3.902) 3.902 3.699 ( 0.000 -0.000 7.172) 7.172 3.800 ( -0.000 0.000 9.504) 9.504 3.926 ( 0.000 0.000 -17.334) 17.334 3.926 ( 0.000 0.000 -17.334) 17.334 3.970 ( -0.000 0.000 -9.878) 9.878 4.057 ( -0.000 0.000 4.080) 4.080 4.068 ( -0.000 0.000 -2.968) 2.968 4.068 ( 0.000 0.000 -2.968) 2.968 4.085 ( 0.000 0.000 10.666) 10.666 4.344 ( 0.000 -0.000 -1.957) 1.957 4.447 ( -0.000 0.000 4.368) 4.368 4.447 ( 0.000 0.000 4.368) 4.368 4.700 ( -0.000 0.000 -3.245) 3.245 4.700 ( 0.000 -0.000 -3.245) 3.245 4.772 ( 0.000 0.000 -9.545) 9.545 4.834 ( -0.000 -0.000 0.758) 0.758 4.914 ( -0.000 0.000 0.072) 0.072 4.914 ( 0.000 -0.000 0.072) 0.072 5.102 ( 0.000 0.000 -2.643) 2.643 5.141 ( 0.000 0.000 -4.923) 4.923 5.141 ( 0.000 -0.000 -4.923) 4.923 5.258 ( 0.000 0.000 4.955) 4.955 5.258 ( 0.000 0.000 4.955) 4.955 5.313 ( 0.000 0.000 4.350) 4.350 5.313 ( -0.000 0.000 4.350) 4.350 5.533 ( 0.000 0.000 -6.926) 6.926 5.604 ( 0.000 0.000 1.018) 1.018 5.673 ( 0.000 0.000 -4.783) 4.783 5.858 ( 0.000 0.000 -6.795) 6.795 5.871 ( -0.000 0.000 5.387) 5.387 5.871 ( 0.000 0.000 5.387) 5.387 6.078 ( -0.000 0.000 -3.590) 3.590 6.187 ( -0.000 0.000 -4.258) 4.258 6.187 ( -0.000 0.000 -4.258) 4.258 6.394 ( 0.000 0.000 -9.435) 9.435 6.987 ( 0.000 0.000 2.894) 2.894 6.987 ( -0.000 0.000 2.894) 2.894 6.992 ( 0.000 -0.000 2.306) 2.306 7.075 ( 0.000 0.000 -0.628) 0.628 7.075 ( 0.000 -0.000 -0.628) 0.628 7.226 ( -0.000 0.000 -6.133) 6.133 8.022 ( 0.000 0.000 1.411) 1.411 8.022 ( 0.000 0.000 1.411) 1.411 8.109 ( 0.000 0.000 -1.166) 1.166 8.109 ( 0.000 -0.000 -1.166) 1.166 9.723 ( -0.000 0.000 2.334) 2.334 9.723 ( 0.000 0.000 2.334) 2.334 9.756 ( 0.000 -0.000 1.220) 1.220 9.756 ( 0.000 0.000 1.220) 1.220 9.854 ( 0.000 -0.000 12.875) 12.875 10.329 ( 0.000 0.000 3.804) 3.804 10.359 ( -0.000 0.000 3.052) 3.052 10.359 ( 0.000 -0.000 3.052) 3.052 10.643 ( 0.000 0.000 -4.813) 4.813 10.643 ( -0.000 -0.000 -4.813) 4.813 10.740 ( 0.000 0.000 -3.572) 3.572 10.782 ( -0.000 0.000 -10.436) 10.436 11.149 ( 0.000 -0.000 -1.501) 1.501 11.149 ( 0.000 0.000 -1.501) 1.501 11.217 ( 0.000 0.000 -1.773) 1.773 11.217 ( -0.000 0.000 -1.773) 1.773 11.464 ( -0.000 0.000 4.274) 4.274 11.464 ( 0.000 0.000 4.274) 4.274 11.861 ( 0.000 0.000 2.106) 2.106 11.873 ( 0.000 0.000 -9.443) 9.443 11.873 ( 0.000 0.000 -9.443) 9.443 12.012 ( 0.000 -0.000 -2.510) 2.510 12.594 ( 0.000 0.000 8.135) 8.135 12.594 ( 0.000 0.000 8.135) 8.135 12.731 ( 0.000 0.000 4.441) 4.441 12.937 ( 0.000 -0.000 -2.180) 2.180 12.996 ( -0.000 0.000 -4.441) 4.441 12.996 ( 0.000 0.000 -4.441) 4.441 13.077 ( 0.000 0.000 1.610) 1.610 13.105 ( -0.000 0.000 0.936) 0.936 22.896 ( 0.000 0.000 0.273) 0.273 22.896 ( 0.000 0.000 0.273) 0.273 22.934 ( 0.000 -0.000 -0.911) 0.911 22.934 ( -0.000 0.000 -0.911) 0.911 22.963 ( 0.000 0.000 0.049) 0.049 23.036 ( 0.000 0.000 -0.986) 0.986 23.078 ( 0.000 -0.000 -0.987) 0.987 23.078 ( -0.000 0.000 -0.987) 0.987 23.081 ( 0.000 -0.000 -2.218) 2.218 23.081 ( 0.000 0.000 -2.218) 2.218 23.627 ( -0.000 0.000 8.860) 8.860 23.627 ( 0.000 0.000 8.860) 8.860 23.649 ( 0.000 0.000 3.311) 3.311 23.703 ( 0.000 0.000 1.678) 1.678 23.703 ( -0.000 0.000 1.678) 1.678 23.788 ( 0.000 0.000 3.902) 3.902 23.912 ( -0.000 0.000 0.644) 0.644 23.912 ( -0.000 -0.000 0.644) 0.644 23.939 ( 0.000 0.000 -1.514) 1.514 24.053 ( -0.000 0.000 5.680) 5.680 24.110 ( -0.000 -0.000 -1.423) 1.423 24.110 ( -0.000 -0.000 -1.423) 1.423 24.653 ( -0.000 0.000 -7.646) 7.646 24.749 ( -0.000 0.000 -5.628) 5.628 ======================= Grid point 87 (18/32) ======================= q-point: ( 0.17 0.00 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 7.913 4.000 22.033) 23.750 1.147 ( 13.514 8.301 18.945) 24.707 1.575 ( -1.694 -0.868 24.924) 24.997 1.623 ( 3.007 2.011 19.791) 20.119 1.823 ( -2.616 -1.802 -1.847) 3.675 1.944 ( 2.068 -6.752 -1.396) 7.198 1.983 ( -4.230 8.440 2.999) 9.906 2.103 ( 6.747 0.590 4.811) 8.307 2.197 ( 5.586 3.512 1.131) 6.695 2.264 ( -0.311 0.412 2.682) 2.731 2.284 ( 0.507 0.381 3.296) 3.356 2.325 ( 11.501 5.890 22.511) 25.956 2.397 ( 3.273 2.024 3.451) 5.169 2.556 ( -1.071 -0.624 -0.054) 1.240 2.617 ( 1.590 0.894 1.104) 2.132 2.888 ( -6.677 -4.028 3.793) 8.671 2.946 ( -2.418 1.126 11.109) 11.425 2.986 ( 0.410 -5.301 4.075) 6.699 3.025 ( -1.249 1.734 8.207) 8.481 3.130 ( 1.439 2.360 0.749) 2.864 3.214 ( 3.741 1.285 6.652) 7.740 3.272 ( -1.431 -0.931 -5.256) 5.526 3.397 ( -3.893 -1.774 4.331) 6.087 3.477 ( -4.223 -1.351 -3.620) 5.724 3.523 ( -1.368 -5.726 -4.078) 7.162 3.560 ( -7.007 -0.217 -2.986) 7.620 3.679 ( -0.016 1.737 0.804) 1.915 3.739 ( -4.380 -4.974 3.352) 7.427 3.825 ( 0.272 -0.024 5.676) 5.682 3.856 ( -1.749 0.630 -6.553) 6.811 3.961 ( 0.102 0.152 -0.178) 0.256 3.987 ( 2.994 0.141 -7.310) 7.900 4.066 ( 4.989 2.950 -7.593) 9.553 4.105 ( 2.873 -0.148 2.320) 3.696 4.133 ( 2.906 6.335 1.015) 7.043 4.164 ( 3.158 -1.357 -0.875) 3.547 4.349 ( 0.927 0.416 -0.244) 1.045 4.412 ( -0.954 0.052 1.852) 2.084 4.537 ( 1.386 3.048 -1.704) 3.757 4.668 ( 2.292 -3.432 -5.502) 6.878 4.734 ( -1.375 2.747 -1.845) 3.583 4.776 ( -1.308 -1.547 -0.453) 2.076 4.814 ( 1.820 0.366 -5.510) 5.814 4.892 ( -4.268 1.401 0.574) 4.529 4.936 ( 3.773 -1.656 -1.107) 4.267 5.038 ( -3.529 -0.739 -0.556) 3.649 5.112 ( -2.974 -1.617 -4.832) 5.899 5.163 ( 1.392 -0.624 -4.144) 4.416 5.212 ( -2.167 -0.619 2.683) 3.504 5.254 ( 1.234 -0.408 2.911) 3.188 5.321 ( -0.802 2.376 2.739) 3.714 5.337 ( 1.178 -0.693 -3.146) 3.431 5.546 ( 0.772 -0.044 -3.450) 3.536 5.629 ( -3.684 -1.790 -4.200) 5.866 5.644 ( 2.982 1.511 1.781) 3.787 5.853 ( -1.345 -0.967 4.594) 4.884 5.874 ( 1.392 1.102 -5.806) 6.071 5.893 ( 1.602 0.948 4.937) 5.276 6.061 ( -1.303 -0.857 -4.928) 5.169 6.121 ( -4.826 -2.742 -2.371) 6.036 6.226 ( 2.114 1.285 -4.861) 5.455 6.338 ( -3.275 -1.928 -9.120) 9.880 6.958 ( -0.958 -0.428 2.748) 2.942 6.988 ( 0.205 -0.162 2.859) 2.871 7.030 ( 1.489 0.755 2.164) 2.733 7.065 ( -1.073 0.048 -0.302) 1.116 7.091 ( 1.585 0.489 -0.645) 1.780 7.226 ( 0.033 0.033 -4.556) 4.556 8.017 ( -0.430 -0.208 1.423) 1.501 8.029 ( 0.553 0.277 1.544) 1.664 8.109 ( -0.007 -0.021 -1.243) 1.243 8.200 ( 5.935 3.444 -6.468) 9.430 9.693 ( -2.726 0.390 3.115) 4.158 9.698 ( -0.432 -2.708 2.531) 3.732 9.760 ( -0.133 1.578 3.133) 3.511 9.787 ( 2.463 0.200 0.535) 2.529 9.926 ( 5.137 3.019 8.363) 10.268 10.283 ( -3.315 -1.720 3.157) 4.890 10.330 ( -1.567 -1.662 2.971) 3.747 10.343 ( -1.467 -0.279 3.196) 3.528 10.627 ( -1.492 -0.831 -5.399) 5.663 10.709 ( 4.628 2.574 -3.926) 6.592 10.734 ( -3.841 -2.206 -8.284) 9.393 10.782 ( 3.010 1.803 -3.396) 4.882 11.157 ( 0.661 0.405 -0.735) 1.068 11.162 ( 1.315 0.708 -0.881) 1.734 11.216 ( -0.038 0.264 -0.894) 0.933 11.245 ( 2.562 1.200 -1.564) 3.232 11.466 ( 0.178 -0.011 4.133) 4.137 11.478 ( 1.099 0.763 4.035) 4.251 11.819 ( -3.693 -2.587 -0.519) 4.539 11.824 ( -3.948 -1.802 -3.820) 5.782 11.872 ( -0.668 -0.407 -8.314) 8.350 11.960 ( -3.577 -2.063 -4.097) 5.817 12.470 ( -5.836 -3.378 9.512) 11.659 12.607 ( 1.061 0.616 8.317) 8.407 12.783 ( 3.197 1.876 4.887) 6.133 12.864 ( -4.857 -2.818 -3.838) 6.802 13.009 ( 1.101 0.549 -4.240) 4.415 13.047 ( 3.053 1.824 -3.343) 4.881 13.076 ( -0.205 -0.097 2.044) 2.056 13.196 ( 4.802 2.764 -2.977) 6.290 22.855 ( -2.361 -0.858 0.296) 2.529 22.866 ( -1.008 -1.245 0.072) 1.603 22.926 ( -1.381 -0.165 -1.243) 1.866 22.945 ( -0.703 -0.479 -1.689) 1.891 22.959 ( 1.298 -0.089 -0.829) 1.543 23.029 ( -1.180 0.383 -1.743) 2.139 23.090 ( 2.049 0.840 0.036) 2.215 23.115 ( 2.658 -0.612 -0.837) 2.853 23.144 ( 2.966 5.294 -1.305) 6.207 23.157 ( 6.019 1.773 -1.018) 6.356 23.599 ( -1.661 -0.918 6.313) 6.592 23.608 ( -1.586 -0.928 7.701) 7.917 23.657 ( -3.203 -2.352 4.209) 5.788 23.671 ( 0.646 0.855 5.348) 5.454 23.712 ( 0.930 0.510 2.526) 2.739 23.788 ( 0.047 0.033 2.536) 2.537 23.895 ( -1.748 -0.781 -1.417) 2.382 23.901 ( -1.227 -1.133 -0.793) 1.848 23.916 ( 0.197 0.335 0.764) 0.857 24.046 ( -0.656 -1.018 5.108) 5.249 24.055 ( -3.979 -1.647 0.855) 4.390 24.200 ( 6.186 3.530 -1.393) 7.257 24.640 ( -1.155 -0.659 -7.269) 7.390 24.722 ( -2.260 -1.309 -6.059) 6.598 ======================= Grid point 88 (19/32) ======================= q-point: ( 0.33 0.00 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 14.285 5.225 15.107) 21.438 1.486 ( 3.823 4.216 21.650) 22.385 1.545 ( 10.263 6.874 11.719) 17.027 1.705 ( 2.296 3.638 10.925) 11.741 1.849 ( 3.124 2.841 1.394) 4.447 1.879 ( -1.113 -8.132 1.456) 8.336 2.013 ( -2.346 5.396 -4.122) 7.184 2.090 ( -5.022 -2.037 2.340) 5.903 2.207 ( -1.872 -2.108 2.294) 3.634 2.319 ( 0.456 -2.365 3.013) 3.857 2.359 ( 5.594 4.257 1.777) 7.251 2.387 ( -5.398 -0.414 3.126) 6.251 2.509 ( 4.365 -1.462 2.301) 5.147 2.622 ( 6.479 1.355 -1.505) 6.788 2.735 ( 7.413 8.435 13.271) 17.384 2.800 ( 4.771 -0.367 9.266) 10.428 2.924 ( -4.068 0.611 0.239) 4.120 2.990 ( 4.142 1.314 5.823) 7.265 3.044 ( 2.224 -0.167 9.370) 9.631 3.151 ( -5.165 -3.171 -1.422) 6.225 3.207 ( 1.880 2.011 2.532) 3.740 3.283 ( -6.310 -5.571 1.842) 8.617 3.307 ( 0.868 0.658 1.901) 2.192 3.397 ( -0.303 3.780 3.991) 5.505 3.430 ( -2.856 -6.472 1.950) 7.338 3.475 ( -5.745 1.938 -2.454) 6.541 3.538 ( -6.343 -6.397 0.143) 9.009 3.729 ( -3.420 4.775 3.461) 6.817 3.764 ( -1.372 0.450 4.205) 4.446 3.871 ( 3.055 -2.357 5.422) 6.655 3.946 ( -3.114 -2.911 0.962) 4.370 4.036 ( 4.684 -2.264 4.863) 7.121 4.122 ( -3.266 3.015 6.394) 7.787 4.145 ( 0.216 -1.213 -0.195) 1.247 4.181 ( 4.925 -6.699 -0.081) 8.315 4.257 ( 3.441 5.051 -2.007) 6.433 4.343 ( -0.992 5.090 -3.606) 6.316 4.458 ( 2.495 0.963 -0.766) 2.782 4.540 ( -2.893 3.184 -5.003) 6.598 4.654 ( -0.256 -3.228 -2.041) 3.827 4.684 ( -0.569 -2.213 -5.933) 6.358 4.708 ( -7.062 -1.254 0.773) 7.214 4.820 ( 1.870 -1.856 -3.664) 4.513 4.931 ( 2.470 2.922 -4.154) 5.647 4.984 ( 3.294 -2.366 -2.261) 4.643 5.019 ( -4.278 -1.818 -3.318) 5.711 5.034 ( -1.502 5.222 -3.784) 6.622 5.154 ( 2.690 -2.534 2.917) 4.708 5.241 ( 2.046 1.731 -5.148) 5.804 5.283 ( 1.810 -0.591 -1.106) 2.202 5.333 ( 0.122 -1.415 -8.326) 8.446 5.353 ( 0.663 6.249 1.797) 6.535 5.528 ( -2.008 -2.831 -2.793) 4.455 5.560 ( 0.476 -1.771 -4.299) 4.673 5.686 ( -0.961 -0.408 3.657) 3.803 5.834 ( -4.030 -2.204 0.406) 4.611 5.849 ( -0.293 0.671 0.307) 0.794 5.937 ( 1.424 2.613 2.580) 3.939 6.003 ( -2.028 -2.488 -5.716) 6.556 6.093 ( 2.112 0.877 -6.424) 6.819 6.185 ( -4.780 -2.262 -6.394) 8.298 6.342 ( 2.343 1.144 -6.888) 7.365 6.952 ( 0.202 0.336 2.982) 3.008 6.987 ( -0.156 -0.643 2.952) 3.026 7.036 ( 0.204 -1.677 0.703) 1.829 7.055 ( -1.127 1.986 0.953) 2.474 7.136 ( 2.572 0.793 -0.236) 2.702 7.224 ( -0.408 -0.083 -2.302) 2.339 8.007 ( -0.422 -0.158 1.437) 1.506 8.041 ( 0.467 0.174 1.683) 1.755 8.109 ( 0.056 -0.013 -1.421) 1.422 8.297 ( 2.345 1.403 -9.409) 9.798 9.655 ( -1.462 -0.569 3.125) 3.496 9.673 ( -0.516 -0.945 2.724) 2.929 9.769 ( -0.533 1.299 3.858) 4.106 9.829 ( 2.155 -0.117 -0.353) 2.187 10.040 ( 4.008 2.280 3.209) 5.617 10.235 ( -0.267 0.382 3.873) 3.901 10.293 ( -0.769 -1.499 2.384) 2.919 10.317 ( -1.206 0.044 3.177) 3.399 10.563 ( -4.454 -2.841 -5.015) 7.284 10.651 ( -2.438 -1.279 -4.493) 5.270 10.804 ( 3.279 1.773 -4.148) 5.577 10.841 ( 1.775 1.250 -3.440) 4.068 11.169 ( 0.454 -0.150 1.202) 1.294 11.189 ( 0.169 1.001 -0.060) 1.017 11.247 ( 3.059 1.792 0.823) 3.639 11.329 ( 5.385 2.347 -0.361) 5.885 11.467 ( 0.110 -0.791 4.007) 4.086 11.510 ( 1.067 1.925 3.238) 3.915 11.698 ( -5.574 -4.831 -0.310) 7.383 11.736 ( -4.489 -1.098 -0.307) 4.632 11.817 ( -3.231 -1.929 -4.127) 5.585 11.906 ( -1.381 -0.846 -8.231) 8.389 12.421 ( 1.108 0.615 3.664) 3.877 12.632 ( 0.859 0.473 8.203) 8.261 12.742 ( -5.315 -2.959 -4.488) 7.560 12.858 ( 2.937 1.685 4.930) 5.981 13.034 ( 1.175 0.050 -3.168) 3.380 13.059 ( -1.148 -0.084 2.181) 2.466 13.125 ( 3.506 2.040 -3.621) 5.437 13.252 ( 0.289 0.138 -3.868) 3.881 22.821 ( -1.145 0.075 0.439) 1.229 22.852 ( 0.337 -0.961 -0.648) 1.207 22.905 ( -0.765 -0.154 -1.277) 1.496 22.925 ( -0.922 -0.655 -1.618) 1.974 22.969 ( 0.214 -0.119 -2.072) 2.086 23.012 ( -1.333 0.574 -1.925) 2.411 23.141 ( 1.429 -1.229 1.002) 2.135 23.162 ( 4.577 2.016 2.111) 5.428 23.227 ( 1.892 3.150 -1.272) 3.888 23.264 ( 3.196 1.966 0.637) 3.806 23.536 ( -3.984 -1.371 5.606) 7.013 23.563 ( -1.450 -3.323 5.393) 6.499 23.607 ( -1.002 0.601 5.809) 5.925 23.682 ( 0.281 0.039 5.244) 5.251 23.741 ( 1.429 0.949 4.291) 4.621 23.794 ( 0.596 0.418 0.636) 0.967 23.864 ( -1.340 -0.683 -2.184) 2.652 23.874 ( -0.833 -0.790 -1.350) 1.772 23.921 ( -0.232 0.366 1.279) 1.350 23.978 ( -1.806 -1.721 1.841) 3.100 24.028 ( -1.118 -0.230 4.521) 4.663 24.346 ( 6.661 3.725 -2.436) 8.011 24.595 ( -3.355 -1.816 -5.544) 6.729 24.666 ( -2.086 -1.264 -7.115) 7.521 ======================= Grid point 89 (20/32) ======================= q-point: (-0.50 0.00 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 0.000 20.257) 20.257 1.566 ( 0.000 0.000 12.852) 12.852 1.637 ( -0.000 -0.000 6.065) 6.065 1.832 ( 0.000 0.000 -2.730) 2.730 1.862 ( 0.000 0.000 8.663) 8.663 1.929 ( -0.000 -0.000 15.499) 15.499 1.992 ( 0.000 0.000 -7.602) 7.602 2.012 ( -0.000 -0.000 -0.488) 0.488 2.075 ( -0.000 -0.000 4.352) 4.352 2.222 ( 0.000 0.000 3.886) 3.886 2.396 ( 0.000 0.000 1.382) 1.382 2.491 ( 0.000 -0.000 3.038) 3.038 2.532 ( 0.000 0.000 -1.948) 1.948 2.699 ( 0.000 0.000 -4.764) 4.764 2.807 ( -0.000 -0.000 4.022) 4.022 2.818 ( 0.000 0.000 2.125) 2.125 2.955 ( 0.000 0.000 -3.741) 3.741 3.042 ( 0.000 -0.000 3.740) 3.740 3.063 ( 0.000 0.000 -2.503) 2.503 3.113 ( 0.000 0.000 15.936) 15.936 3.188 ( -0.000 0.000 0.133) 0.133 3.263 ( 0.000 -0.000 6.264) 6.264 3.294 ( 0.000 -0.000 11.157) 11.157 3.294 ( -0.000 0.000 2.261) 2.261 3.437 ( -0.000 -0.000 2.869) 2.869 3.440 ( 0.000 0.000 7.860) 7.860 3.482 ( 0.000 0.000 -5.055) 5.055 3.692 ( 0.000 0.000 9.137) 9.137 3.796 ( -0.000 -0.000 10.517) 10.517 3.830 ( 0.000 0.000 -0.206) 0.206 3.943 ( 0.000 0.000 4.955) 4.955 4.037 ( 0.000 0.000 12.663) 12.663 4.080 ( 0.000 0.000 2.425) 2.425 4.153 ( 0.000 0.000 2.327) 2.327 4.176 ( 0.000 0.000 2.948) 2.948 4.335 ( 0.000 0.000 -5.150) 5.150 4.346 ( -0.000 0.000 -2.231) 2.231 4.499 ( -0.000 0.000 2.966) 2.966 4.518 ( 0.000 -0.000 -9.134) 9.134 4.620 ( 0.000 -0.000 -2.829) 2.829 4.637 ( 0.000 0.000 -0.432) 0.432 4.698 ( 0.000 0.000 -8.274) 8.274 4.829 ( 0.000 0.000 -3.615) 3.615 4.911 ( 0.000 0.000 -14.096) 14.096 5.004 ( 0.000 -0.000 0.745) 0.745 5.009 ( -0.000 0.000 3.074) 3.074 5.035 ( 0.000 0.000 -3.192) 3.192 5.186 ( 0.000 -0.000 3.807) 3.807 5.274 ( 0.000 0.000 -3.047) 3.047 5.308 ( 0.000 0.000 -9.958) 9.958 5.315 ( -0.000 -0.000 -0.914) 0.914 5.378 ( 0.000 0.000 -4.914) 4.914 5.546 ( 0.000 0.000 -3.674) 3.674 5.570 ( 0.000 0.000 -0.935) 0.935 5.654 ( 0.000 0.000 1.374) 1.374 5.702 ( 0.000 0.000 -3.479) 3.479 5.898 ( 0.000 0.000 6.680) 6.680 5.967 ( 0.000 0.000 -4.632) 4.632 5.977 ( 0.000 -0.000 -5.835) 5.835 6.097 ( 0.000 -0.000 -5.571) 5.571 6.138 ( 0.000 0.000 -5.683) 5.683 6.371 ( 0.000 0.000 -6.856) 6.856 6.966 ( 0.000 0.000 2.741) 2.741 6.970 ( -0.000 -0.000 3.365) 3.365 7.029 ( 0.000 0.000 1.123) 1.123 7.055 ( 0.000 -0.000 0.784) 0.784 7.169 ( 0.000 0.000 -1.026) 1.026 7.214 ( 0.000 0.000 -0.616) 0.616 8.002 ( 0.000 0.000 1.440) 1.440 8.046 ( 0.000 0.000 1.697) 1.697 8.110 ( 0.000 0.000 -1.532) 1.532 8.319 ( 0.000 0.000 -9.141) 9.141 9.639 ( 0.000 0.000 2.920) 2.920 9.664 ( 0.000 -0.000 2.638) 2.638 9.770 ( 0.000 0.000 4.185) 4.185 9.847 ( 0.000 0.000 -0.426) 0.426 10.079 ( 0.000 0.000 1.179) 1.179 10.270 ( 0.000 0.000 0.139) 0.139 10.273 ( -0.000 -0.000 4.931) 4.931 10.307 ( 0.000 0.000 3.119) 3.119 10.485 ( -0.000 0.000 -2.065) 2.065 10.628 ( 0.000 0.000 -4.556) 4.556 10.841 ( 0.000 0.000 -4.288) 4.288 10.862 ( 0.000 0.000 -3.517) 3.517 11.171 ( 0.000 0.000 1.823) 1.823 11.194 ( 0.000 -0.000 0.514) 0.514 11.300 ( 0.000 -0.000 2.205) 2.205 11.428 ( -0.000 -0.000 0.980) 0.980 11.443 ( 0.000 0.000 4.211) 4.211 11.559 ( 0.000 0.000 2.164) 2.164 11.574 ( -0.000 -0.000 -0.532) 0.532 11.684 ( 0.000 -0.000 -1.504) 1.504 11.778 ( 0.000 0.000 -1.456) 1.456 11.888 ( 0.000 -0.000 -9.198) 9.198 12.457 ( 0.000 0.000 -0.149) 0.149 12.629 ( 0.000 0.000 3.401) 3.401 12.677 ( 0.000 0.000 0.209) 0.209 12.897 ( 0.000 -0.000 5.252) 5.252 13.038 ( -0.000 0.000 3.480) 3.480 13.052 ( 0.000 -0.000 -4.228) 4.228 13.181 ( 0.000 0.000 -4.383) 4.383 13.238 ( -0.000 -0.000 -2.969) 2.969 22.814 ( 0.000 0.000 0.553) 0.553 22.851 ( 0.000 -0.000 -0.878) 0.878 22.901 ( 0.000 0.000 -0.737) 0.737 22.909 ( 0.000 0.000 -2.022) 2.022 22.971 ( 0.000 0.000 -2.456) 2.456 23.001 ( 0.000 -0.000 -1.932) 1.932 23.145 ( 0.000 0.000 1.872) 1.872 23.241 ( -0.000 0.000 4.024) 4.024 23.263 ( 0.000 0.000 -2.473) 2.473 23.278 ( 0.000 0.000 2.605) 2.605 23.496 ( -0.000 -0.000 5.070) 5.070 23.520 ( 0.000 0.000 4.842) 4.842 23.607 ( 0.000 -0.000 4.551) 4.551 23.684 ( 0.000 0.000 5.782) 5.782 23.763 ( 0.000 0.000 4.798) 4.798 23.809 ( 0.000 0.000 1.130) 1.130 23.840 ( 0.000 -0.000 -3.146) 3.146 23.862 ( -0.000 0.000 -1.514) 1.514 23.917 ( 0.000 0.000 1.262) 1.262 23.962 ( 0.000 0.000 1.606) 1.606 24.014 ( 0.000 0.000 4.048) 4.048 24.473 ( 0.000 0.000 -6.026) 6.026 24.502 ( -0.000 -0.000 -1.608) 1.608 24.643 ( 0.000 0.000 -7.649) 7.649 ======================= Grid point 94 (21/32) ======================= q-point: ( 0.17 0.17 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 5.379 13.187 16.155) 21.537 1.408 ( 10.895 15.629 14.650) 24.033 1.532 ( -0.653 -2.249 21.976) 22.100 1.686 ( 2.685 3.066 15.746) 16.265 1.825 ( 0.654 2.113 -1.094) 2.468 1.900 ( -2.381 3.049 -4.231) 5.732 2.061 ( 7.142 -3.036 3.019) 8.328 2.130 ( -1.371 -6.895 -1.455) 7.179 2.181 ( -5.051 5.417 1.995) 7.671 2.227 ( 0.824 0.410 2.801) 2.948 2.360 ( 2.239 2.487 2.772) 4.346 2.490 ( 6.903 1.933 0.612) 7.195 2.519 ( 0.051 4.310 0.979) 4.420 2.563 ( -4.179 10.312 14.708) 18.443 2.637 ( 7.123 3.012 11.652) 13.985 2.799 ( -2.978 -3.023 1.844) 4.627 2.915 ( 0.173 -3.400 5.289) 6.290 2.971 ( 0.460 2.234 4.465) 5.013 3.023 ( -0.995 1.138 7.518) 7.669 3.170 ( 2.042 -0.362 0.888) 2.256 3.246 ( -0.912 0.245 -4.079) 4.187 3.283 ( -0.357 2.419 3.595) 4.348 3.330 ( -3.321 -4.982 3.797) 7.090 3.361 ( -0.871 -7.422 2.593) 7.910 3.437 ( -1.912 -0.720 -0.677) 2.152 3.521 ( -1.503 -6.172 1.284) 6.481 3.634 ( -6.005 -0.629 -1.892) 6.327 3.707 ( 3.585 -8.800 5.881) 11.175 3.794 ( 3.176 1.776 -0.218) 3.646 3.887 ( -2.362 2.741 3.597) 5.102 3.953 ( -1.994 -0.453 1.267) 2.406 3.995 ( -2.115 0.991 0.247) 2.348 4.036 ( -0.481 -2.653 1.360) 3.020 4.158 ( -0.737 1.034 0.646) 1.425 4.199 ( -1.768 3.373 -1.520) 4.100 4.238 ( 3.278 2.442 4.783) 6.291 4.374 ( 5.479 3.320 -5.793) 8.637 4.437 ( 1.072 2.508 -0.911) 2.875 4.541 ( 2.941 -3.284 -3.528) 5.646 4.667 ( -2.870 1.363 -4.087) 5.176 4.704 ( -1.095 -0.917 -1.394) 1.996 4.771 ( 0.220 -5.419 0.777) 5.478 4.811 ( -3.436 1.827 -2.309) 4.525 4.889 ( 4.175 0.406 -3.516) 5.474 4.937 ( -2.740 1.930 -4.098) 5.294 5.021 ( 1.104 -1.220 -1.543) 2.256 5.086 ( 1.257 -3.714 -5.195) 6.509 5.156 ( -4.667 3.668 -1.726) 6.181 5.212 ( 1.998 -1.427 2.147) 3.261 5.244 ( -0.503 1.996 -0.339) 2.086 5.311 ( 0.953 -1.318 -4.334) 4.629 5.370 ( 1.963 0.800 -4.816) 5.262 5.552 ( -1.928 0.844 -2.894) 3.579 5.572 ( -1.525 -2.510 -3.253) 4.383 5.688 ( 0.822 1.218 3.899) 4.167 5.822 ( -0.210 -0.845 1.508) 1.741 5.874 ( -1.859 -3.569 -2.859) 4.936 5.924 ( 1.837 0.979 4.953) 5.372 6.026 ( -2.292 -1.555 -5.533) 6.187 6.072 ( 0.316 -0.312 -5.128) 5.147 6.220 ( -1.302 -2.800 -6.561) 7.251 6.335 ( 1.254 2.550 -7.287) 7.821 6.949 ( 0.045 -0.273 2.891) 2.904 6.984 ( -0.566 -0.053 2.867) 2.923 7.029 ( -1.073 -1.219 0.875) 1.844 7.084 ( 2.890 1.189 1.143) 3.328 7.112 ( -0.391 2.156 -0.453) 2.237 7.224 ( -0.083 -0.329 -2.934) 2.954 8.011 ( -0.096 -0.323 1.473) 1.511 8.036 ( 0.079 0.303 1.645) 1.674 8.119 ( 0.554 1.048 -1.747) 2.111 8.272 ( 1.590 2.663 -9.001) 9.520 9.641 ( -1.381 -2.467 2.830) 4.000 9.715 ( -0.754 1.080 3.639) 3.870 9.758 ( 2.449 -1.318 2.616) 3.818 9.805 ( -1.225 1.322 0.507) 1.872 10.026 ( 3.761 6.514 4.438) 8.734 10.233 ( -1.136 -2.736 3.431) 4.533 10.301 ( -1.192 -0.423 3.288) 3.523 10.329 ( -0.166 -1.403 2.848) 3.180 10.577 ( -2.477 -4.029 -5.545) 7.288 10.657 ( -2.706 -4.764 -4.659) 7.193 10.798 ( 2.777 4.969 -4.541) 7.282 10.831 ( 1.658 2.542 -3.817) 4.877 11.185 ( 0.388 2.232 0.110) 2.268 11.190 ( 2.232 2.198 0.312) 3.148 11.226 ( 1.412 1.053 0.764) 1.920 11.286 ( 0.858 3.277 -0.924) 3.511 11.468 ( -0.404 0.373 3.850) 3.889 11.501 ( 1.456 1.055 3.711) 4.123 11.730 ( -4.444 -5.991 -0.083) 7.460 11.764 ( -1.366 -4.091 -0.745) 4.377 11.835 ( -2.114 -3.562 -5.203) 6.651 11.915 ( -1.088 -1.833 -7.587) 7.880 12.418 ( -0.260 -0.409 5.441) 5.463 12.628 ( 0.756 1.328 8.464) 8.601 12.771 ( -3.406 -6.139 -4.633) 8.411 12.840 ( 1.956 3.510 4.918) 6.351 13.036 ( 0.436 1.633 -3.236) 3.651 13.063 ( -0.033 -0.920 1.680) 1.916 13.101 ( 1.848 3.222 -3.145) 4.867 13.248 ( 0.825 1.470 -3.979) 4.321 22.811 ( -1.128 -2.475 0.283) 2.735 22.861 ( -0.451 0.267 -0.293) 0.600 22.900 ( -0.482 -1.326 -1.455) 2.027 22.930 ( -0.953 -1.165 -2.334) 2.777 22.993 ( 1.421 2.280 -1.237) 2.957 23.044 ( 1.731 0.286 -1.489) 2.302 23.109 ( 0.034 1.787 1.009) 2.053 23.143 ( -1.400 2.965 0.037) 3.279 23.190 ( 4.047 1.779 -0.186) 4.425 23.250 ( 2.223 3.982 -0.284) 4.569 23.550 ( -1.705 -3.857 5.679) 7.074 23.585 ( -3.281 -2.196 5.947) 7.138 23.613 ( 0.867 -0.609 5.418) 5.521 23.694 ( 0.412 0.912 6.952) 7.024 23.718 ( 0.386 0.396 2.665) 2.722 23.791 ( 0.309 0.448 1.044) 1.177 23.873 ( -0.393 -1.157 -2.368) 2.665 23.879 ( -1.062 -1.034 -0.904) 1.736 23.926 ( 0.679 0.445 1.164) 1.420 23.986 ( -2.314 -3.016 1.780) 4.197 24.037 ( -0.342 -1.251 4.738) 4.913 24.305 ( 3.746 6.663 -2.055) 7.915 24.617 ( -0.931 -1.766 -6.569) 6.866 24.675 ( -1.952 -3.293 -6.398) 7.455 ======================= Grid point 95 (22/32) ======================= q-point: ( 0.33 0.17 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.935 11.806 9.976) 17.374 1.489 ( -1.146 -0.239 21.765) 21.797 1.715 ( 4.716 -0.639 6.947) 8.421 1.777 ( 5.153 6.057 8.031) 11.302 1.841 ( -1.692 4.273 1.386) 4.800 1.937 ( -0.571 1.222 7.953) 8.066 2.022 ( 1.601 3.078 -7.011) 7.823 2.068 ( -6.925 -0.680 3.272) 7.689 2.169 ( 1.293 -1.164 3.732) 4.118 2.228 ( -3.314 -3.129 3.748) 5.901 2.382 ( -4.425 0.802 3.312) 5.586 2.446 ( 1.465 1.666 2.681) 3.480 2.582 ( 5.416 -2.678 -0.438) 6.058 2.615 ( -0.892 2.788 -1.636) 3.353 2.746 ( 5.308 1.930 2.766) 6.289 2.854 ( -3.096 -5.795 -1.041) 6.652 2.941 ( 1.850 2.417 -1.651) 3.462 2.983 ( 9.563 3.379 10.410) 14.534 3.062 ( -4.657 -1.880 4.065) 6.461 3.115 ( 1.792 4.615 0.502) 4.976 3.168 ( -2.387 -4.783 -1.364) 5.517 3.252 ( -2.962 -6.719 5.442) 9.140 3.313 ( 0.131 -1.030 2.254) 2.481 3.326 ( -2.122 2.558 5.807) 6.691 3.418 ( 0.823 -2.073 7.671) 7.988 3.469 ( -0.321 2.167 1.526) 2.669 3.554 ( -3.596 4.027 1.375) 5.571 3.764 ( 1.324 1.918 8.891) 9.191 3.821 ( 0.099 -1.139 8.513) 8.589 3.856 ( -6.336 -3.641 8.248) 11.020 3.881 ( 2.497 1.888 4.653) 5.608 3.950 ( 0.585 -1.260 4.851) 5.046 4.033 ( 0.377 -6.236 3.481) 7.151 4.095 ( 2.756 -2.752 1.576) 4.201 4.182 ( -1.967 -1.560 2.506) 3.547 4.332 ( 2.316 2.267 -4.058) 5.194 4.443 ( -2.852 4.159 -2.694) 5.717 4.476 ( 0.689 -0.138 -3.376) 3.449 4.559 ( 1.692 -0.767 -1.086) 2.152 4.637 ( -2.856 -2.406 0.364) 3.752 4.687 ( -1.281 4.414 -4.192) 6.221 4.710 ( -2.787 3.368 -4.444) 6.234 4.810 ( 1.332 0.932 -3.978) 4.297 4.908 ( 4.002 -3.146 1.205) 5.231 4.945 ( -2.353 -1.287 -10.357) 10.698 5.000 ( -0.124 -1.384 -2.342) 2.723 5.096 ( -1.678 0.363 -0.858) 1.920 5.141 ( 2.656 1.164 -2.817) 4.043 5.239 ( 1.695 0.148 2.415) 2.954 5.275 ( 1.724 -2.681 -8.186) 8.784 5.323 ( 1.618 0.828 -1.216) 2.187 5.399 ( -0.100 -0.071 -5.227) 5.229 5.494 ( -0.860 -2.555 -6.200) 6.761 5.573 ( 0.639 3.840 -1.303) 4.105 5.669 ( -1.024 -0.466 0.851) 1.411 5.748 ( -5.434 -5.097 -3.858) 8.390 5.880 ( 4.027 1.354 1.594) 4.537 5.950 ( -0.176 -0.749 3.194) 3.285 5.967 ( -1.060 -3.216 -4.249) 5.434 6.110 ( 0.722 3.285 -7.039) 7.802 6.170 ( -2.067 -0.237 -6.569) 6.891 6.382 ( 0.504 2.428 -6.827) 7.264 6.957 ( 0.839 0.327 2.807) 2.948 6.973 ( -0.523 -0.419 3.072) 3.144 7.003 ( -0.014 -1.791 1.507) 2.341 7.109 ( -2.021 3.132 0.481) 3.758 7.150 ( 2.618 0.798 -0.325) 2.756 7.212 ( -0.462 -1.287 -1.139) 1.780 8.008 ( -0.290 0.363 1.510) 1.580 8.038 ( 0.343 -0.554 1.649) 1.773 8.141 ( -0.791 3.294 -2.728) 4.349 8.292 ( 1.137 -2.173 -8.420) 8.769 9.607 ( 0.181 -2.171 2.351) 3.205 9.708 ( -1.626 2.365 3.761) 4.731 9.778 ( -0.888 -0.491 4.401) 4.517 9.798 ( 2.713 -2.279 -1.045) 3.695 10.124 ( -0.803 5.836 1.020) 5.978 10.229 ( 3.402 -0.643 3.254) 4.751 10.284 ( -1.284 -0.565 1.769) 2.258 10.322 ( 0.043 1.197 4.053) 4.226 10.475 ( -2.588 -5.501 -2.213) 6.470 10.591 ( 0.191 -3.966 -3.803) 5.498 10.860 ( 0.104 2.477 -4.935) 5.522 10.871 ( 0.538 1.654 -4.991) 5.285 11.204 ( -1.253 3.017 1.321) 3.524 11.241 ( -1.698 4.287 1.400) 4.819 11.283 ( 2.888 2.252 1.628) 4.008 11.366 ( 6.016 1.736 1.230) 6.381 11.453 ( -1.470 -0.806 4.273) 4.590 11.531 ( 1.924 -1.736 2.755) 3.782 11.587 ( -4.445 -5.519 0.202) 7.090 11.707 ( -2.038 -0.873 -1.536) 2.697 11.774 ( -0.810 -2.204 -2.052) 3.119 11.886 ( -0.510 -1.095 -9.063) 9.143 12.456 ( 1.881 3.243 -0.273) 3.759 12.638 ( -1.889 -1.449 2.821) 3.691 12.663 ( -0.537 -3.378 0.967) 3.555 12.904 ( 1.223 2.941 5.045) 5.966 13.021 ( -0.545 -1.993 3.200) 3.809 13.075 ( -0.162 1.659 -4.241) 4.556 13.167 ( 2.317 2.220 -3.576) 4.805 13.243 ( -1.042 -1.154 -3.458) 3.792 22.782 ( 0.409 -2.367 0.308) 2.422 22.863 ( -0.064 0.990 -0.557) 1.138 22.888 ( 0.421 -0.921 -1.871) 2.127 22.903 ( -0.608 -1.355 -2.047) 2.529 23.028 ( -1.825 4.646 -1.864) 5.329 23.053 ( -2.325 2.829 -1.372) 3.911 23.128 ( 1.288 0.331 2.100) 2.485 23.186 ( 4.327 0.287 2.658) 5.086 23.243 ( 0.771 -1.137 -0.621) 1.508 23.291 ( 0.363 -0.257 1.106) 1.192 23.496 ( -0.329 -1.599 4.395) 4.688 23.513 ( -1.946 -2.250 4.869) 5.706 23.632 ( -0.285 2.376 5.667) 6.151 23.691 ( -0.891 0.598 5.396) 5.502 23.739 ( 1.807 -1.290 5.187) 5.643 23.805 ( 0.480 0.468 0.793) 1.038 23.851 ( -1.125 -0.417 -2.119) 2.435 23.861 ( -0.076 -0.544 -1.819) 1.900 23.934 ( -1.430 0.553 1.111) 1.893 23.949 ( 1.064 -0.559 1.375) 1.826 24.016 ( -0.606 -1.078 4.277) 4.452 24.436 ( 4.608 5.357 -3.650) 7.953 24.559 ( -4.698 -1.641 -4.764) 6.889 24.621 ( 0.438 -3.354 -6.883) 7.669 ======================= Grid point 96 (23/32) ======================= q-point: (-0.50 0.17 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.011 1.263 20.699) 20.738 1.527 ( -15.494 -4.482 9.367) 18.652 1.654 ( 1.395 0.959 7.832) 8.013 1.763 ( -12.602 -0.904 8.655) 15.314 1.877 ( 0.483 0.511 3.450) 3.521 1.923 ( 1.463 2.351 -2.323) 3.614 2.002 ( 3.431 -0.143 2.458) 4.223 2.053 ( -7.498 4.355 3.550) 9.369 2.170 ( 1.484 -1.945 5.166) 5.716 2.295 ( 1.804 8.030 3.662) 9.008 2.319 ( 5.453 -0.882 -0.606) 5.557 2.467 ( -4.854 -3.243 4.493) 7.367 2.587 ( -1.109 0.252 -1.511) 1.891 2.643 ( 7.280 -4.074 2.672) 8.760 2.745 ( -8.423 -2.029 -2.943) 9.150 2.832 ( 1.953 1.636 -1.924) 3.192 2.906 ( -1.654 -2.377 3.443) 4.499 3.005 ( -2.644 -4.720 10.604) 11.905 3.096 ( -5.546 1.625 3.447) 6.729 3.146 ( 3.050 -0.800 -5.565) 6.396 3.173 ( 4.621 -0.752 -0.130) 4.683 3.205 ( 6.446 1.550 9.098) 11.258 3.299 ( -1.985 0.258 5.053) 5.435 3.338 ( 4.044 0.118 -0.605) 4.091 3.435 ( -1.044 -0.772 8.913) 9.007 3.476 ( -3.384 0.825 -0.259) 3.493 3.525 ( 0.670 6.628 3.904) 7.722 3.690 ( -4.864 0.132 13.242) 14.108 3.775 ( 0.481 3.556 4.224) 5.542 3.900 ( 1.069 -0.986 5.599) 5.785 3.940 ( 2.945 -2.330 6.619) 7.610 3.997 ( 2.355 -1.670 0.265) 2.899 4.044 ( 9.448 -0.628 9.477) 13.396 4.092 ( -1.489 -6.249 3.804) 7.465 4.186 ( 5.528 0.585 1.447) 5.745 4.308 ( -5.208 -0.249 -4.752) 7.055 4.423 ( -4.934 5.465 -2.354) 7.729 4.485 ( 1.682 -0.589 -6.930) 7.156 4.524 ( -4.826 0.227 2.835) 5.601 4.619 ( 3.092 1.023 0.481) 3.293 4.704 ( -2.342 3.470 -2.922) 5.105 4.720 ( -1.036 1.603 -7.776) 8.007 4.840 ( 0.935 0.172 -3.398) 3.528 4.908 ( 1.319 -4.730 -0.030) 4.911 4.958 ( 2.645 0.607 -9.451) 9.833 4.989 ( 1.123 -0.702 -2.700) 3.007 5.039 ( -3.278 1.320 -2.413) 4.279 5.209 ( 0.474 0.902 4.088) 4.213 5.240 ( -0.902 -4.740 -6.076) 7.758 5.251 ( 1.079 -1.335 -0.331) 1.748 5.315 ( -0.929 -1.812 -4.318) 4.774 5.377 ( -1.697 1.737 -6.309) 6.760 5.514 ( 2.459 -0.237 -4.830) 5.425 5.621 ( -3.717 -2.295 -3.818) 5.802 5.648 ( 3.219 1.270 0.515) 3.498 5.736 ( 6.859 4.082 -1.397) 8.103 5.869 ( -3.666 -3.006 -0.353) 4.754 5.941 ( 0.411 0.289 3.596) 3.631 5.971 ( 2.857 -0.635 -3.740) 4.749 6.128 ( -3.274 -0.764 -6.944) 7.715 6.157 ( 1.714 3.060 -6.223) 7.143 6.384 ( -2.232 0.739 -6.891) 7.281 6.955 ( -0.668 -0.356 2.881) 2.979 6.980 ( 0.732 0.073 3.069) 3.156 7.001 ( 1.760 -1.095 1.378) 2.489 7.100 ( -2.475 2.951 0.604) 3.899 7.160 ( -1.587 -1.443 -0.381) 2.178 7.209 ( 1.385 -0.139 -1.147) 1.803 8.007 ( -0.223 0.433 1.502) 1.579 8.038 ( 0.367 -0.579 1.668) 1.803 8.142 ( -2.428 2.334 -2.706) 4.321 8.291 ( 1.282 -2.071 -8.457) 8.801 9.608 ( 1.800 -1.252 2.376) 3.233 9.714 ( -0.959 3.289 3.267) 4.734 9.755 ( -0.371 -1.361 3.649) 3.912 9.816 ( 1.636 -2.322 0.161) 2.845 10.128 ( -4.616 3.789 0.769) 6.021 10.224 ( -1.408 -3.382 4.152) 5.537 10.292 ( 2.126 0.954 0.899) 2.498 10.312 ( -1.772 0.439 3.880) 4.288 10.481 ( 6.112 -0.581 -1.672) 6.363 10.589 ( 3.225 -2.134 -4.047) 5.597 10.859 ( -1.989 0.972 -4.561) 5.070 10.871 ( -1.984 0.569 -5.174) 5.571 11.205 ( -1.594 2.442 1.086) 3.111 11.229 ( -3.647 3.344 1.580) 5.194 11.287 ( -3.479 -1.237 1.908) 4.157 11.375 ( -3.850 -4.141 1.089) 5.758 11.477 ( 1.927 2.303 3.106) 4.320 11.490 ( 0.644 -2.762 3.644) 4.617 11.608 ( 7.150 -0.510 0.007) 7.168 11.699 ( 0.742 1.808 -1.025) 2.207 11.774 ( 2.390 -0.393 -2.286) 3.331 11.886 ( 1.242 -0.124 -9.038) 9.124 12.457 ( -3.731 -0.013 -0.261) 3.741 12.640 ( 2.256 1.028 2.925) 3.834 12.661 ( 3.096 -1.329 0.882) 3.483 12.903 ( -3.147 0.430 4.979) 5.906 13.025 ( 2.468 -0.747 3.849) 4.633 13.071 ( -1.814 1.164 -4.852) 5.309 13.167 ( -3.080 -0.877 -3.580) 4.803 13.244 ( 1.531 0.309 -3.450) 3.787 22.780 ( 1.648 -1.417 0.287) 2.192 22.868 ( -0.337 0.252 -0.523) 0.671 22.888 ( 0.260 -0.770 -1.767) 1.945 22.902 ( 1.750 -0.129 -2.078) 2.720 23.022 ( -3.092 3.401 -1.649) 4.883 23.045 ( -2.168 3.675 -1.494) 4.521 23.152 ( 0.302 -0.083 1.871) 1.897 23.186 ( -1.413 -4.486 2.392) 5.277 23.245 ( -1.993 -2.069 1.213) 3.118 23.271 ( 0.767 0.993 -0.345) 1.301 23.492 ( 1.522 -0.184 4.602) 4.851 23.527 ( 3.763 -0.232 4.710) 6.034 23.627 ( -2.407 1.632 5.073) 5.848 23.694 ( -0.025 1.251 6.592) 6.710 23.736 ( 0.130 -2.359 4.446) 5.035 23.805 ( -0.711 -0.136 0.687) 0.998 23.851 ( 0.890 0.641 -2.437) 2.673 23.863 ( 0.684 -0.158 -1.425) 1.589 23.925 ( -0.331 0.992 1.112) 1.527 23.960 ( 0.582 -0.742 1.340) 1.639 24.012 ( 1.030 0.096 4.366) 4.487 24.438 ( -6.982 -1.434 -3.753) 8.055 24.556 ( 3.808 3.268 -4.572) 6.788 24.623 ( 2.725 -1.968 -6.973) 7.741 ======================= Grid point 101 (24/32) ======================= q-point: ( 0.33 0.33 0.29) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.000 -0.000 19.835) 19.835 1.660 ( -1.222 -2.444 2.727) 3.860 1.660 ( 1.222 2.444 2.727) 3.860 1.819 ( -0.000 0.000 6.658) 6.658 1.896 ( -1.253 -2.506 9.775) 10.168 1.896 ( 1.253 2.506 9.775) 10.168 2.105 ( -2.302 -4.604 -3.219) 6.071 2.105 ( 2.302 4.604 -3.219) 6.071 2.117 ( 0.000 -0.000 10.082) 10.082 2.339 ( 0.000 -0.000 -0.886) 0.886 2.350 ( -1.822 -3.643 6.138) 7.367 2.350 ( 1.822 3.643 6.138) 7.367 2.524 ( 0.000 -0.000 3.514) 3.514 2.694 ( -3.305 -6.609 -3.357) 8.116 2.694 ( 3.305 6.609 -3.357) 8.116 2.891 ( -2.128 -4.256 -6.116) 7.749 2.891 ( 2.128 4.256 -6.116) 7.749 3.060 ( 0.000 0.000 -10.016) 10.016 3.090 ( -1.278 -2.557 13.172) 13.479 3.090 ( 1.278 2.557 13.172) 13.479 3.107 ( 0.000 -0.000 -0.771) 0.771 3.192 ( -0.000 -0.000 -0.275) 0.275 3.300 ( -0.000 -0.000 -0.358) 0.358 3.369 ( -1.688 -3.375 6.876) 7.843 3.369 ( 1.688 3.375 6.876) 7.843 3.498 ( -0.000 -0.000 1.769) 1.769 3.711 ( -4.577 -9.153 11.069) 15.075 3.711 ( 4.577 9.153 11.069) 15.075 3.837 ( 0.000 -0.000 1.822) 1.822 3.839 ( -1.018 -2.037 8.586) 8.883 3.839 ( 1.018 2.037 8.586) 8.883 3.886 ( 0.000 -0.000 20.513) 20.513 4.065 ( -1.129 -2.257 0.750) 2.633 4.065 ( 1.129 2.257 0.750) 2.633 4.094 ( -0.000 -0.000 -0.731) 0.731 4.402 ( -2.171 -4.341 -4.726) 6.775 4.402 ( 2.171 4.341 -4.726) 6.775 4.495 ( -0.000 -0.000 -5.388) 5.388 4.593 ( -1.159 -2.317 2.285) 3.454 4.593 ( 1.159 2.317 2.285) 3.454 4.723 ( 0.000 -0.000 -4.529) 4.529 4.798 ( -1.803 -3.606 -0.589) 4.075 4.798 ( 1.803 3.606 -0.589) 4.075 4.870 ( -0.000 -0.000 0.659) 0.659 4.954 ( -1.014 -2.028 -10.813) 11.048 4.954 ( 1.014 2.028 -10.813) 11.048 5.131 ( -1.728 -3.457 -1.042) 4.003 5.131 ( 1.728 3.457 -1.042) 4.003 5.225 ( -0.000 -0.000 -9.426) 9.426 5.257 ( 0.000 -0.000 7.803) 7.803 5.359 ( -1.783 -3.565 -2.909) 4.935 5.359 ( 1.783 3.565 -2.909) 4.935 5.471 ( -0.000 -0.000 -10.060) 10.060 5.630 ( -1.285 -2.570 -2.860) 4.054 5.630 ( 1.285 2.570 -2.860) 4.054 5.718 ( -0.000 -0.000 -6.081) 6.081 5.901 ( -0.816 -1.632 -1.470) 2.343 5.901 ( 0.816 1.632 -1.470) 2.343 5.955 ( -0.000 -0.000 7.880) 7.880 6.160 ( -0.326 -0.652 -7.269) 7.306 6.160 ( 0.326 0.652 -7.269) 7.306 6.409 ( -0.000 -0.000 -6.940) 6.940 6.971 ( -0.489 -0.978 2.168) 2.429 6.971 ( 0.489 0.978 2.168) 2.429 6.971 ( 0.000 -0.000 3.393) 3.393 7.159 ( -0.536 -1.072 -0.121) 1.205 7.159 ( 0.536 1.072 -0.121) 1.205 7.182 ( -0.000 -0.000 -0.388) 0.388 8.022 ( -0.425 -0.851 1.583) 1.847 8.022 ( 0.425 0.851 1.583) 1.847 8.222 ( -2.023 -4.045 -5.704) 7.280 8.222 ( 2.023 4.045 -5.704) 7.280 9.585 ( -0.000 -0.000 2.028) 2.028 9.754 ( -0.691 -1.382 5.341) 5.560 9.754 ( 0.691 1.382 5.341) 5.560 9.767 ( 0.000 -0.000 -3.174) 3.174 10.210 ( 0.000 -0.000 6.512) 6.512 10.241 ( -1.592 -3.185 -1.833) 4.005 10.241 ( 1.592 3.185 -1.833) 4.005 10.375 ( -1.992 -3.984 3.079) 5.414 10.375 ( 1.992 3.984 3.079) 5.414 10.544 ( -0.000 -0.000 -4.081) 4.081 10.886 ( -0.213 -0.427 -5.754) 5.774 10.886 ( 0.213 0.427 -5.754) 5.774 11.237 ( -0.000 -0.000 1.368) 1.368 11.317 ( -0.668 -1.335 1.495) 2.112 11.317 ( 0.668 1.335 1.495) 2.112 11.409 ( 0.000 -0.000 1.364) 1.364 11.441 ( -1.445 -2.889 5.121) 6.055 11.441 ( 1.445 2.889 5.121) 6.055 11.530 ( -0.000 -0.000 -1.599) 1.599 11.730 ( -1.044 -2.087 -1.226) 2.636 11.730 ( 1.044 2.087 -1.226) 2.636 11.873 ( -0.000 -0.000 -9.639) 9.639 12.543 ( -2.422 -4.843 -3.403) 6.395 12.543 ( 2.422 4.843 -3.403) 6.395 12.657 ( -0.000 -0.000 8.593) 8.593 12.966 ( -1.498 -2.996 4.619) 5.706 12.966 ( 1.498 2.996 4.619) 5.706 13.096 ( -0.000 -0.000 -5.737) 5.737 13.210 ( -0.950 -1.900 -3.210) 3.850 13.210 ( 0.950 1.900 -3.210) 3.850 22.758 ( -0.000 -0.000 0.316) 0.316 22.879 ( -0.334 -0.667 -0.593) 0.953 22.879 ( 0.334 0.667 -0.593) 0.953 22.880 ( -0.000 -0.000 -3.524) 3.524 23.087 ( -0.438 -0.876 -1.768) 2.021 23.087 ( 0.438 0.876 -1.768) 2.021 23.159 ( 0.000 -0.000 3.725) 3.725 23.187 ( -1.307 -2.614 2.045) 3.567 23.187 ( 1.307 2.614 2.045) 3.567 23.291 ( 0.000 -0.000 -1.136) 1.136 23.483 ( -0.168 -0.335 4.050) 4.068 23.483 ( 0.168 0.335 4.050) 4.068 23.690 ( -1.301 -2.601 4.999) 5.784 23.690 ( 1.301 2.601 4.999) 5.784 23.702 ( -0.000 -0.000 7.069) 7.069 23.808 ( -0.000 -0.000 1.359) 1.359 23.852 ( -0.181 -0.362 -2.079) 2.118 23.852 ( 0.181 0.362 -2.079) 2.118 23.944 ( -0.342 -0.684 0.763) 1.080 23.944 ( 0.342 0.684 0.763) 1.080 24.001 ( -0.000 -0.000 4.533) 4.533 24.539 ( 0.000 -0.000 -8.099) 8.099 24.540 ( -0.953 -1.906 -3.650) 4.227 24.540 ( 0.953 1.906 -3.650) 4.227 ======================= Grid point 129 (25/32) ======================= q-point: ( 0.00 0.00 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.000 0.000 21.063) 21.063 1.440 ( 0.000 -0.000 21.063) 21.063 1.763 ( 0.000 0.000 -12.335) 12.335 1.763 ( 0.000 0.000 -12.335) 12.335 1.882 ( 0.000 0.000 10.585) 10.585 1.882 ( 0.000 -0.000 10.585) 10.585 2.098 ( 0.000 0.000 -12.200) 12.200 2.098 ( -0.000 -0.000 -12.200) 12.200 2.099 ( 0.000 -0.000 8.237) 8.237 2.240 ( 0.000 -0.000 -6.110) 6.110 2.383 ( 0.000 0.000 17.906) 17.906 2.383 ( 0.000 0.000 17.906) 17.906 2.607 ( 0.000 0.000 -2.930) 2.930 2.607 ( 0.000 0.000 -2.930) 2.930 2.864 ( 0.000 0.000 26.670) 26.670 3.066 ( -0.000 0.000 2.527) 2.527 3.066 ( 0.000 -0.000 2.527) 2.527 3.077 ( -0.000 0.000 -2.692) 2.692 3.161 ( 0.000 0.000 -1.417) 1.417 3.161 ( 0.000 0.000 -1.417) 1.417 3.284 ( 0.000 0.000 6.022) 6.022 3.310 ( 0.000 0.000 9.039) 9.039 3.349 ( -0.000 -0.000 2.162) 2.162 3.349 ( 0.000 -0.000 2.162) 2.162 3.415 ( -0.000 0.000 -5.484) 5.484 3.547 ( -0.000 0.000 -13.989) 13.989 3.547 ( 0.000 -0.000 -13.989) 13.989 3.646 ( -0.000 -0.000 -19.705) 19.705 3.856 ( -0.000 -0.000 6.172) 6.172 3.856 ( 0.000 0.000 6.172) 6.172 3.944 ( 0.000 0.000 11.034) 11.034 3.980 ( -0.000 0.000 -5.887) 5.887 3.980 ( 0.000 -0.000 -5.887) 5.887 3.990 ( 0.000 0.000 7.619) 7.619 4.183 ( 0.000 0.000 5.803) 5.803 4.240 ( -0.000 0.000 3.833) 3.833 4.298 ( -0.000 0.000 -0.123) 0.123 4.509 ( 0.000 0.000 -16.267) 16.267 4.544 ( 0.000 -0.000 5.134) 5.134 4.544 ( 0.000 0.000 5.134) 5.134 4.631 ( 0.000 0.000 -3.866) 3.866 4.631 ( 0.000 0.000 -3.866) 3.866 4.877 ( 0.000 0.000 3.962) 3.962 4.940 ( -0.000 0.000 2.980) 2.980 4.940 ( 0.000 0.000 2.980) 2.980 4.983 ( 0.000 -0.000 -6.887) 6.887 5.030 ( 0.000 0.000 -5.887) 5.887 5.030 ( -0.000 0.000 -5.887) 5.887 5.339 ( 0.000 -0.000 3.089) 3.089 5.339 ( -0.000 0.000 3.089) 3.089 5.365 ( -0.000 -0.000 0.672) 0.672 5.365 ( -0.000 0.000 0.672) 0.672 5.502 ( 0.000 0.000 2.144) 2.144 5.572 ( -0.000 -0.000 -4.910) 4.910 5.652 ( 0.000 0.000 3.336) 3.336 5.736 ( 0.000 0.000 -5.438) 5.438 5.983 ( 0.000 0.000 5.937) 5.937 5.983 ( 0.000 -0.000 5.937) 5.937 6.058 ( 0.000 0.000 2.915) 2.915 6.093 ( -0.000 0.000 -5.361) 5.361 6.093 ( 0.000 0.000 -5.361) 5.361 6.195 ( 0.000 0.000 -10.038) 10.038 7.032 ( 0.000 0.000 1.730) 1.730 7.032 ( 0.000 -0.000 1.730) 1.730 7.045 ( 0.000 0.000 3.248) 3.248 7.058 ( 0.000 -0.000 -1.088) 1.088 7.058 ( -0.000 0.000 -1.088) 1.088 7.120 ( 0.000 0.000 -4.634) 4.634 8.052 ( 0.000 0.000 1.627) 1.627 8.052 ( 0.000 -0.000 1.627) 1.627 8.083 ( -0.000 0.000 -1.520) 1.520 8.083 ( -0.000 0.000 -1.520) 1.520 9.762 ( 0.000 -0.000 1.413) 1.413 9.762 ( 0.000 0.000 1.413) 1.413 9.773 ( -0.000 0.000 0.285) 0.285 9.773 ( -0.000 0.000 0.285) 0.285 10.122 ( 0.000 0.000 14.000) 14.000 10.339 ( 0.000 0.000 -5.743) 5.743 10.434 ( -0.000 0.000 4.727) 4.727 10.434 ( 0.000 0.000 4.727) 4.727 10.538 ( 0.000 0.000 -5.767) 5.767 10.538 ( 0.000 0.000 -5.767) 5.767 10.623 ( -0.000 0.000 -2.898) 2.898 10.661 ( 0.000 0.000 -4.221) 4.221 11.147 ( 0.000 0.000 1.119) 1.119 11.147 ( 0.000 -0.000 1.119) 1.119 11.180 ( -0.000 0.000 -1.988) 1.988 11.180 ( 0.000 -0.000 -1.988) 1.988 11.561 ( 0.000 0.000 5.941) 5.941 11.561 ( 0.000 -0.000 5.941) 5.941 11.699 ( 0.000 -0.000 -8.273) 8.273 11.699 ( 0.000 0.000 -8.273) 8.273 11.907 ( -0.000 0.000 2.635) 2.635 11.960 ( 0.000 0.000 -2.758) 2.758 12.750 ( 0.000 -0.000 7.813) 7.813 12.750 ( 0.000 0.000 7.813) 7.813 12.816 ( 0.000 0.000 4.157) 4.157 12.887 ( 0.000 0.000 -3.086) 3.086 12.890 ( 0.000 0.000 -6.496) 6.496 12.890 ( 0.000 0.000 -6.496) 6.496 13.103 ( 0.000 -0.000 1.023) 1.023 13.114 ( 0.000 0.000 -0.068) 0.068 22.904 ( 0.000 -0.000 0.564) 0.564 22.904 ( 0.000 0.000 0.564) 0.564 22.917 ( 0.000 0.000 -0.806) 0.806 22.917 ( 0.000 0.000 -0.806) 0.806 22.977 ( 0.000 0.000 1.340) 1.340 23.009 ( -0.000 0.000 -1.746) 1.746 23.056 ( 0.000 0.000 -0.451) 0.451 23.056 ( 0.000 -0.000 -0.451) 0.451 23.060 ( 0.000 0.000 -0.707) 0.707 23.060 ( -0.000 0.000 -0.707) 0.707 23.717 ( 0.000 0.000 3.740) 3.740 23.735 ( 0.000 -0.000 1.433) 1.433 23.735 ( -0.000 -0.000 1.433) 1.433 23.738 ( 0.000 0.000 2.102) 2.102 23.738 ( 0.000 -0.000 2.102) 2.102 23.788 ( 0.000 0.000 -3.148) 3.148 23.962 ( 0.000 0.000 4.656) 4.656 23.962 ( -0.000 0.000 4.656) 4.656 24.003 ( -0.000 0.000 6.891) 6.891 24.056 ( 0.000 -0.000 -4.180) 4.180 24.056 ( 0.000 0.000 -4.180) 4.180 24.107 ( 0.000 0.000 -1.733) 1.733 24.557 ( -0.000 0.000 -0.426) 0.426 24.629 ( -0.000 0.000 -6.160) 6.160 ======================= Grid point 130 (26/32) ======================= q-point: ( 0.17 0.00 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 2.810 1.906 18.087) 18.403 1.499 ( 5.713 3.013 16.375) 17.603 1.709 ( -1.021 -1.336 -7.949) 8.125 1.756 ( 0.128 2.002 -8.178) 8.421 1.900 ( -2.197 -0.182 8.763) 9.036 1.940 ( 3.673 -2.442 5.385) 6.961 2.062 ( -2.919 4.745 -2.617) 6.155 2.107 ( 3.096 -2.448 -7.141) 8.159 2.192 ( 2.366 -0.538 4.751) 5.335 2.243 ( 4.787 4.886 -0.816) 6.889 2.378 ( -0.650 0.081 10.299) 10.320 2.455 ( 4.177 2.249 9.069) 10.234 2.555 ( -4.568 -1.925 -3.292) 5.951 2.612 ( 1.122 -1.035 -2.597) 3.012 2.873 ( -8.407 -2.656 3.822) 9.609 2.924 ( 1.292 -1.377 6.244) 6.523 3.007 ( -4.250 -3.235 4.738) 7.140 3.082 ( -1.757 0.286 1.961) 2.648 3.146 ( 3.179 1.294 1.397) 3.705 3.184 ( 0.717 0.939 0.237) 1.205 3.257 ( -1.207 -0.451 5.300) 5.455 3.332 ( -0.200 -0.626 4.721) 4.767 3.357 ( 1.310 1.441 6.507) 6.792 3.382 ( -3.937 -2.471 -7.536) 8.855 3.476 ( -2.915 1.418 -6.100) 6.908 3.516 ( 9.508 1.821 6.550) 11.688 3.640 ( 3.877 3.165 -9.968) 11.154 3.732 ( 1.845 -0.330 -8.242) 8.452 3.785 ( 1.908 1.050 2.671) 3.446 3.896 ( -0.168 2.595 1.226) 2.875 3.917 ( -2.870 -1.666 -4.870) 5.893 3.943 ( 4.830 0.890 -1.560) 5.154 4.029 ( 3.767 2.789 8.468) 9.679 4.115 ( 4.828 2.232 -0.969) 5.407 4.194 ( 0.395 0.256 4.272) 4.298 4.237 ( -0.675 -0.567 9.612) 9.652 4.302 ( 1.947 0.940 -5.138) 5.574 4.473 ( -1.566 -2.264 -4.873) 5.597 4.524 ( -2.151 1.764 0.837) 2.905 4.608 ( 3.213 1.221 1.344) 3.691 4.661 ( 2.564 -1.224 -5.116) 5.852 4.691 ( 4.492 4.800 -4.205) 7.804 4.799 ( -3.975 -2.549 3.559) 5.913 4.894 ( -4.461 -3.616 -3.519) 6.735 4.942 ( -3.337 3.039 -0.683) 4.565 4.961 ( 1.365 -2.997 2.997) 4.453 5.037 ( -0.211 1.292 -5.569) 5.721 5.065 ( 2.545 -0.211 -4.378) 5.068 5.251 ( -7.305 -2.864 1.289) 7.952 5.278 ( -3.747 -2.560 0.513) 4.566 5.328 ( -0.438 -3.279 1.777) 3.756 5.351 ( -1.415 1.438 0.097) 2.020 5.536 ( 0.085 -0.169 0.036) 0.193 5.552 ( -2.313 -1.083 -2.591) 3.638 5.692 ( 3.714 2.158 2.967) 5.221 5.765 ( 2.686 1.506 -4.749) 5.660 5.961 ( -3.468 -1.895 6.416) 7.536 5.993 ( -1.024 -0.487 2.322) 2.584 6.024 ( 0.271 0.094 4.657) 4.666 6.053 ( -4.160 -2.519 -3.976) 6.282 6.108 ( -0.979 -0.556 -7.413) 7.498 6.158 ( 0.041 0.026 -8.407) 8.407 7.011 ( -0.732 -0.309 2.506) 2.629 7.034 ( 0.248 -0.068 1.819) 1.838 7.048 ( -0.373 -0.644 -1.039) 1.278 7.061 ( -0.085 0.782 -0.396) 0.880 7.084 ( 2.321 0.998 1.238) 2.814 7.139 ( 1.273 0.771 -3.927) 4.199 8.048 ( -0.353 -0.180 1.711) 1.756 8.064 ( 0.934 0.497 2.119) 2.368 8.081 ( -0.167 -0.085 -1.621) 1.632 8.114 ( 2.266 1.316 -3.136) 4.086 9.745 ( -1.911 0.630 2.087) 2.899 9.746 ( -0.417 -2.163 2.082) 3.031 9.780 ( 0.081 1.360 -0.358) 1.409 9.785 ( 1.222 -0.420 -0.764) 1.501 10.134 ( 0.857 0.482 11.246) 11.288 10.294 ( -2.800 -1.611 -3.750) 4.949 10.402 ( -1.825 -1.397 4.674) 5.209 10.424 ( -1.079 -0.127 5.278) 5.388 10.511 ( -1.655 -1.299 -6.137) 6.488 10.557 ( 0.229 0.393 -8.269) 8.282 10.669 ( 3.681 2.034 -0.168) 4.209 10.710 ( 3.356 1.961 -3.634) 5.322 11.164 ( 1.354 0.866 1.217) 2.016 11.170 ( 1.951 1.082 1.412) 2.640 11.195 ( 1.472 0.958 -1.324) 2.199 11.209 ( 2.811 1.473 -2.020) 3.761 11.559 ( -0.111 -0.037 5.639) 5.640 11.571 ( 0.845 0.450 5.873) 5.951 11.686 ( -1.024 -0.538 -7.299) 7.390 11.708 ( 0.725 0.382 -8.162) 8.203 11.855 ( -4.442 -2.566 2.008) 5.509 11.898 ( -5.133 -2.961 -2.559) 6.455 12.638 ( -6.459 -3.734 7.850) 10.829 12.763 ( -0.415 -0.403 5.195) 5.227 12.772 ( -4.413 -2.364 -3.126) 5.902 12.880 ( 3.402 1.962 4.886) 6.269 12.905 ( 1.230 0.691 -6.443) 6.595 12.970 ( 3.389 1.958 -4.412) 5.897 13.117 ( 0.764 0.448 2.013) 2.199 13.153 ( 2.378 1.369 -1.846) 3.307 22.868 ( -2.368 -0.584 0.978) 2.628 22.876 ( -1.211 -1.708 0.756) 2.226 22.898 ( -1.541 -0.225 -1.316) 2.039 22.907 ( -0.520 -1.029 -1.712) 2.064 22.968 ( -0.319 -0.106 1.169) 1.217 22.996 ( -1.025 0.116 -1.634) 1.932 23.091 ( 3.293 1.476 0.237) 3.617 23.100 ( 3.601 0.743 -0.656) 3.735 23.129 ( 4.014 3.667 -0.030) 5.437 23.140 ( 5.329 3.006 -0.888) 6.182 23.682 ( -2.018 -1.158 3.012) 3.806 23.700 ( -2.427 -1.806 1.702) 3.471 23.730 ( -1.422 0.840 2.344) 2.867 23.740 ( 0.889 -0.887 1.600) 2.033 23.765 ( 1.182 0.796 1.704) 2.222 23.798 ( 0.563 0.330 -1.874) 1.984 23.903 ( -4.769 -2.745 2.830) 6.188 23.918 ( -3.367 -1.953 1.492) 4.169 23.966 ( 0.283 0.169 4.079) 4.092 24.034 ( -1.718 -1.012 -2.545) 3.233 24.123 ( 0.948 0.617 2.000) 2.298 24.160 ( 5.393 3.063 -2.460) 6.672 24.546 ( -0.925 -0.534 -0.927) 1.415 24.604 ( -2.087 -1.204 -5.602) 6.098 ======================= Grid point 131 (27/32) ======================= q-point: ( 0.33 0.00 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 7.618 3.687 12.307) 14.937 1.679 ( 8.836 5.180 5.723) 11.733 1.721 ( -0.489 2.620 -2.437) 3.611 1.795 ( 0.188 2.647 -3.511) 4.401 1.868 ( 0.531 1.254 5.598) 5.761 1.901 ( 0.457 -4.707 2.489) 5.344 2.065 ( 0.516 -0.644 3.209) 3.313 2.133 ( -0.424 -1.648 0.725) 1.850 2.244 ( 2.287 1.873 5.111) 5.904 2.359 ( -3.299 1.177 -2.410) 4.252 2.386 ( 0.855 -0.506 2.652) 2.832 2.423 ( 2.657 4.626 -0.723) 5.384 2.567 ( 4.326 -3.103 5.725) 7.818 2.625 ( 0.470 -0.778 3.418) 3.537 2.740 ( -3.335 0.344 -3.433) 4.798 2.825 ( -4.399 -4.443 -8.772) 10.773 2.999 ( -1.650 2.758 1.038) 3.377 3.021 ( -4.578 -3.940 0.263) 6.046 3.125 ( -5.391 -4.630 0.553) 7.128 3.178 ( -5.517 -8.185 -4.189) 10.723 3.275 ( 1.713 5.526 0.723) 5.830 3.289 ( 2.373 4.674 0.962) 5.329 3.370 ( -0.160 3.440 4.647) 5.784 3.430 ( 4.205 2.649 9.500) 10.721 3.471 ( 0.345 -0.780 3.685) 3.782 3.569 ( -2.384 -5.139 3.433) 6.624 3.643 ( 4.678 0.124 9.618) 10.696 3.778 ( 2.801 3.036 -0.764) 4.201 3.891 ( -1.863 3.297 8.039) 8.886 3.927 ( 3.867 2.004 -2.557) 5.050 3.953 ( 6.422 2.523 -1.201) 7.004 4.082 ( 1.373 0.667 3.107) 3.462 4.101 ( 5.761 -1.255 -4.626) 7.494 4.141 ( 1.369 5.041 -4.290) 6.759 4.212 ( 2.773 -0.371 1.048) 2.988 4.295 ( 3.303 1.924 8.247) 9.090 4.321 ( 1.912 -2.080 -4.424) 5.250 4.434 ( -2.244 -0.440 8.166) 8.481 4.525 ( -0.167 2.757 -6.781) 7.322 4.608 ( -2.581 -1.219 -4.379) 5.227 4.663 ( -1.849 -1.303 3.357) 4.048 4.720 ( -1.697 -1.181 -1.719) 2.689 4.734 ( -9.606 -5.751 0.937) 11.235 4.827 ( 2.132 -0.087 0.458) 2.183 4.925 ( 0.328 1.560 -5.885) 6.097 4.948 ( 0.102 2.113 -4.662) 5.120 5.039 ( 0.717 1.037 1.260) 1.783 5.112 ( 2.597 -2.503 -6.636) 7.553 5.148 ( -1.565 1.262 0.553) 2.085 5.227 ( -1.229 1.212 -4.788) 5.090 5.290 ( 0.931 -3.034 4.071) 5.162 5.360 ( 1.460 -0.054 -1.835) 2.346 5.490 ( -2.135 -1.474 -0.762) 2.704 5.505 ( -2.435 0.094 -1.496) 2.859 5.738 ( -4.326 -2.455 1.875) 5.316 5.788 ( -4.149 -2.271 -3.270) 5.750 5.864 ( -0.530 0.387 1.516) 1.652 5.927 ( -1.458 -0.309 -3.547) 3.848 5.986 ( -0.428 -0.542 -0.364) 0.780 6.041 ( -1.232 -1.945 0.705) 2.408 6.079 ( 0.571 0.901 0.535) 1.194 6.204 ( 2.129 1.219 -7.327) 7.727 7.006 ( 0.068 0.288 2.340) 2.359 7.031 ( -0.332 -0.450 0.454) 0.720 7.046 ( 0.548 -0.276 1.163) 1.315 7.065 ( -0.243 0.596 -0.082) 0.649 7.131 ( 1.924 0.759 0.313) 2.092 7.166 ( 0.938 0.742 -3.017) 3.246 8.040 ( -0.334 -0.135 1.882) 1.916 8.076 ( -0.002 -0.169 -1.538) 1.547 8.084 ( 0.508 0.381 2.507) 2.586 8.158 ( 1.368 0.821 -5.214) 5.452 9.711 ( -1.388 -0.901 2.433) 2.943 9.720 ( -1.132 -0.499 1.750) 2.143 9.794 ( 0.080 1.090 -0.444) 1.180 9.805 ( 1.427 -0.287 -1.615) 2.175 10.147 ( 0.223 0.034 6.636) 6.640 10.249 ( -0.985 -0.656 -2.939) 3.169 10.370 ( -0.443 -0.957 4.646) 4.764 10.399 ( -1.968 0.527 4.471) 4.914 10.478 ( -0.433 -1.549 -2.861) 3.282 10.545 ( -1.278 -0.065 -6.204) 6.335 10.747 ( 2.793 1.353 -0.968) 3.251 10.773 ( 1.907 1.179 -3.125) 3.847 11.197 ( 1.363 0.586 1.289) 1.965 11.204 ( 0.608 1.099 0.774) 1.475 11.271 ( 5.068 2.635 1.538) 5.916 11.307 ( 5.909 3.076 -1.837) 6.910 11.558 ( -0.035 -0.113 5.303) 5.305 11.589 ( 0.461 0.316 4.969) 5.000 11.662 ( -1.644 -0.534 -3.621) 4.012 11.715 ( -0.553 -0.747 -5.901) 5.974 11.733 ( -5.673 -3.171 0.155) 6.501 11.766 ( -5.086 -2.857 -4.764) 7.532 12.520 ( -3.474 -2.028 5.991) 7.216 12.636 ( -5.426 -3.151 -5.700) 8.477 12.795 ( 1.129 0.689 7.783) 7.895 12.932 ( 0.970 0.842 -5.770) 5.911 12.957 ( 3.314 1.579 4.298) 5.653 13.046 ( 3.240 1.887 -4.406) 5.785 13.120 ( -0.545 -0.274 3.211) 3.269 13.183 ( 0.120 0.055 -3.340) 3.343 22.837 ( -1.167 0.475 1.140) 1.699 22.852 ( 0.083 -1.202 0.205) 1.222 22.876 ( -0.842 -0.096 -1.093) 1.383 22.890 ( -0.146 -1.363 -1.811) 2.271 22.956 ( -0.937 0.163 0.576) 1.112 22.979 ( -1.290 0.390 -1.542) 2.048 23.160 ( 2.738 -0.051 1.014) 2.920 23.179 ( 4.450 0.617 -0.759) 4.556 23.226 ( 3.408 3.859 1.675) 5.414 23.260 ( 4.385 3.667 -1.252) 5.852 23.623 ( -3.916 -1.986 3.005) 5.320 23.635 ( -2.237 -2.801 1.870) 4.043 23.706 ( -1.828 0.497 3.966) 4.395 23.751 ( 0.902 -0.056 0.798) 1.206 23.784 ( 0.345 0.093 0.663) 0.753 23.806 ( 0.051 0.195 -0.059) 0.210 23.826 ( -1.648 -0.797 -0.379) 1.869 23.851 ( -1.964 -1.524 -1.356) 2.832 23.969 ( -0.301 0.174 2.548) 2.571 23.995 ( -1.361 -1.012 -0.193) 1.707 24.139 ( 0.459 0.332 7.021) 7.044 24.271 ( 4.393 2.485 -5.637) 7.566 24.520 ( -1.530 -0.882 -1.396) 2.251 24.550 ( -2.266 -1.303 -4.280) 5.015 ======================= Grid point 132 (28/32) ======================= q-point: (-0.50 0.00 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 0.000 2.771) 2.771 1.717 ( 0.000 0.000 -0.207) 0.207 1.771 ( 0.000 0.000 5.887) 5.887 1.788 ( -0.000 0.000 1.582) 1.582 1.902 ( 0.000 0.000 3.269) 3.269 1.982 ( 0.000 0.000 -2.658) 2.658 2.021 ( -0.000 -0.000 7.724) 7.724 2.107 ( -0.000 -0.000 1.340) 1.340 2.245 ( 0.000 0.000 7.782) 7.782 2.296 ( 0.000 -0.000 1.748) 1.748 2.437 ( 0.000 0.000 3.318) 3.318 2.551 ( 0.000 0.000 -5.690) 5.690 2.560 ( -0.000 -0.000 6.279) 6.279 2.593 ( -0.000 -0.000 5.411) 5.411 2.738 ( 0.000 -0.000 -9.267) 9.267 2.776 ( 0.000 0.000 -9.600) 9.600 2.918 ( 0.000 0.000 4.080) 4.080 2.991 ( 0.000 -0.000 -2.802) 2.802 3.024 ( 0.000 0.000 -2.501) 2.501 3.061 ( -0.000 -0.000 -7.362) 7.362 3.337 ( 0.000 0.000 1.647) 1.647 3.353 ( 0.000 0.000 1.280) 1.280 3.409 ( 0.000 0.000 3.402) 3.402 3.429 ( 0.000 0.000 1.190) 1.190 3.438 ( 0.000 -0.000 11.510) 11.510 3.557 ( 0.000 -0.000 2.023) 2.023 3.757 ( 0.000 0.000 15.342) 15.342 3.820 ( -0.000 -0.000 4.125) 4.125 3.864 ( 0.000 0.000 6.390) 6.390 3.937 ( 0.000 0.000 2.287) 2.287 4.066 ( -0.000 0.000 6.405) 6.405 4.096 ( 0.000 -0.000 -1.128) 1.128 4.096 ( -0.000 0.000 -0.236) 0.236 4.234 ( 0.000 0.000 -5.362) 5.362 4.268 ( -0.000 -0.000 -4.486) 4.486 4.290 ( 0.000 0.000 -4.183) 4.183 4.402 ( 0.000 -0.000 6.725) 6.725 4.425 ( 0.000 0.000 18.812) 18.812 4.487 ( 0.000 -0.000 -3.766) 3.766 4.536 ( 0.000 -0.000 -3.128) 3.128 4.581 ( 0.000 0.000 -7.917) 7.917 4.654 ( 0.000 0.000 0.487) 0.487 4.680 ( 0.000 0.000 -1.369) 1.369 4.835 ( 0.000 0.000 1.413) 1.413 4.919 ( 0.000 0.000 -14.503) 14.503 4.977 ( 0.000 0.000 -4.161) 4.161 5.072 ( 0.000 0.000 4.473) 4.473 5.115 ( 0.000 -0.000 -1.756) 1.756 5.172 ( 0.000 0.000 -3.689) 3.689 5.227 ( 0.000 -0.000 -5.652) 5.652 5.336 ( 0.000 -0.000 3.978) 3.978 5.342 ( 0.000 0.000 2.328) 2.328 5.475 ( 0.000 -0.000 -3.010) 3.010 5.512 ( 0.000 0.000 -4.790) 4.790 5.640 ( 0.000 -0.000 -2.024) 2.024 5.641 ( -0.000 0.000 -1.717) 1.717 5.918 ( 0.000 0.000 0.034) 0.034 5.946 ( 0.000 -0.000 2.185) 2.185 5.969 ( 0.000 -0.000 -4.624) 4.624 6.000 ( 0.000 0.000 -1.138) 1.138 6.096 ( 0.000 -0.000 4.023) 4.023 6.229 ( 0.000 0.000 -7.656) 7.656 7.011 ( 0.000 0.000 1.706) 1.706 7.023 ( 0.000 0.000 1.010) 1.010 7.050 ( -0.000 0.000 1.516) 1.516 7.066 ( 0.000 -0.000 0.174) 0.174 7.153 ( 0.000 0.000 -0.192) 0.192 7.179 ( 0.000 0.000 -2.438) 2.438 8.036 ( 0.000 0.000 1.977) 1.977 8.075 ( 0.000 0.000 -1.981) 1.981 8.090 ( 0.000 -0.000 3.042) 3.042 8.173 ( 0.000 0.000 -5.811) 5.811 9.693 ( 0.000 0.000 2.405) 2.405 9.707 ( 0.000 -0.000 1.367) 1.367 9.801 ( 0.000 -0.000 -0.149) 0.149 9.817 ( -0.000 0.000 -1.937) 1.937 10.147 ( 0.000 0.000 5.193) 5.193 10.241 ( 0.000 0.000 -3.675) 3.675 10.366 ( 0.000 0.000 3.991) 3.991 10.380 ( 0.000 -0.000 3.221) 3.221 10.466 ( -0.000 0.000 0.604) 0.604 10.531 ( 0.000 0.000 -5.088) 5.088 10.777 ( 0.000 0.000 -1.558) 1.558 10.794 ( 0.000 0.000 -2.902) 2.902 11.211 ( -0.000 0.000 1.558) 1.558 11.215 ( 0.000 -0.000 1.009) 1.009 11.351 ( 0.000 0.000 2.900) 2.900 11.409 ( -0.000 -0.000 -2.662) 2.662 11.547 ( 0.000 0.000 6.315) 6.315 11.597 ( -0.000 -0.000 2.291) 2.291 11.599 ( 0.000 0.000 2.154) 2.154 11.649 ( 0.000 -0.000 -2.112) 2.112 11.715 ( 0.000 0.000 -4.240) 4.240 11.721 ( 0.000 0.000 -7.302) 7.302 12.487 ( 0.000 0.000 3.080) 3.080 12.564 ( 0.000 0.000 -4.517) 4.517 12.809 ( 0.000 0.000 7.759) 7.759 12.945 ( 0.000 0.000 -5.924) 5.924 13.000 ( 0.000 -0.000 4.607) 4.607 13.091 ( 0.000 0.000 -3.976) 3.976 13.108 ( 0.000 0.000 2.821) 2.821 13.174 ( 0.000 0.000 -3.450) 3.450 22.832 ( 0.000 0.000 1.294) 1.294 22.848 ( 0.000 -0.000 0.378) 0.378 22.870 ( 0.000 -0.000 -1.615) 1.615 22.879 ( 0.000 0.000 -1.545) 1.545 22.948 ( 0.000 0.000 0.268) 0.268 22.968 ( 0.000 -0.000 -1.513) 1.513 23.181 ( 0.000 0.000 1.874) 1.874 23.219 ( 0.000 0.000 -2.073) 2.073 23.304 ( -0.000 -0.000 2.110) 2.110 23.315 ( 0.000 0.000 0.932) 0.932 23.569 ( -0.000 -0.000 2.355) 2.355 23.581 ( 0.000 0.000 1.263) 1.263 23.693 ( 0.000 -0.000 4.190) 4.190 23.761 ( 0.000 0.000 -0.888) 0.888 23.783 ( 0.000 0.000 0.635) 0.635 23.808 ( 0.000 0.000 0.587) 0.587 23.816 ( 0.000 0.000 -0.715) 0.715 23.829 ( 0.000 0.000 -1.627) 1.627 23.962 ( 0.000 0.000 2.062) 2.062 23.980 ( 0.000 0.000 0.084) 0.084 24.145 ( 0.000 0.000 9.289) 9.289 24.330 ( 0.000 0.000 -8.915) 8.915 24.489 ( 0.000 -0.000 0.358) 0.358 24.526 ( 0.000 0.000 -3.872) 3.872 ======================= Grid point 137 (29/32) ======================= q-point: ( 0.17 0.17 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 3.041 5.497 13.871) 15.227 1.633 ( 5.635 9.718 7.044) 13.259 1.731 ( 2.770 1.845 -1.875) 3.820 1.768 ( 2.516 1.067 -4.903) 5.613 1.878 ( 0.253 -0.631 6.697) 6.732 1.947 ( -5.734 0.159 5.204) 7.745 2.066 ( 4.897 0.972 -1.331) 5.167 2.120 ( -4.160 0.803 -2.117) 4.736 2.247 ( 2.107 0.624 5.616) 6.031 2.269 ( 2.213 3.083 3.537) 5.188 2.405 ( 1.996 1.180 1.509) 2.766 2.479 ( 1.477 -5.077 -3.014) 6.086 2.550 ( -0.706 6.923 3.088) 7.614 2.611 ( -2.789 2.235 0.302) 3.587 2.755 ( -1.432 -6.952 0.942) 7.160 2.896 ( -4.719 -2.441 -7.666) 9.327 2.969 ( 0.133 -7.276 4.466) 8.539 3.023 ( -1.753 -1.944 -1.265) 2.907 3.126 ( -3.420 -1.612 5.442) 6.627 3.231 ( -5.514 -7.654 -4.679) 10.530 3.246 ( 2.556 3.789 5.048) 6.809 3.279 ( 3.544 1.394 2.224) 4.410 3.378 ( 3.686 -0.856 3.442) 5.115 3.422 ( 1.561 0.123 -0.440) 1.627 3.463 ( 2.028 5.660 9.634) 11.357 3.588 ( -3.350 1.374 2.454) 4.374 3.632 ( -3.449 -3.810 5.399) 7.454 3.770 ( 4.880 7.053 -4.237) 9.567 3.852 ( 2.782 3.342 5.066) 6.676 3.922 ( 1.505 2.279 -5.098) 5.783 3.948 ( 4.364 1.831 0.032) 4.733 4.014 ( 0.457 6.123 -3.599) 7.117 4.050 ( 0.285 0.727 6.878) 6.922 4.164 ( 1.661 1.570 -4.734) 5.257 4.204 ( -1.018 0.944 3.718) 3.969 4.271 ( 2.544 4.564 8.101) 9.640 4.319 ( -1.726 0.272 -5.499) 5.770 4.482 ( -0.869 1.993 6.709) 7.052 4.508 ( 4.109 -1.010 -5.735) 7.127 4.634 ( 0.704 -1.540 -2.196) 2.773 4.692 ( -0.023 2.622 1.176) 2.874 4.746 ( 2.387 -0.672 -5.529) 6.060 4.768 ( -5.345 2.061 0.178) 5.731 4.824 ( -2.173 -3.038 -0.659) 3.793 4.853 ( 0.850 -6.604 0.895) 6.718 4.995 ( 0.875 -4.743 -8.942) 10.160 5.022 ( 0.123 2.167 1.650) 2.727 5.079 ( -2.694 3.076 -0.513) 4.121 5.176 ( 0.172 -3.387 -3.225) 4.680 5.224 ( -0.980 -3.262 -4.025) 5.273 5.299 ( -3.363 0.794 4.189) 5.430 5.346 ( 0.862 -0.385 0.018) 0.944 5.496 ( -2.078 -3.173 -1.344) 4.024 5.526 ( -0.179 -1.723 -2.564) 3.094 5.750 ( 0.671 1.406 2.403) 2.864 5.796 ( -0.382 -1.242 -2.646) 2.948 5.875 ( -2.629 -4.717 1.961) 5.745 5.953 ( -1.640 -5.035 -5.380) 7.549 5.974 ( -1.226 -0.854 2.559) 2.963 6.056 ( 0.122 2.195 4.457) 4.970 6.082 ( -0.275 -1.480 -5.090) 5.308 6.196 ( 1.742 3.015 -7.140) 7.944 7.002 ( -0.025 -0.359 2.343) 2.371 7.031 ( -0.674 -0.744 -0.439) 1.096 7.039 ( 0.054 0.461 2.569) 2.610 7.084 ( 1.272 0.997 -1.618) 2.287 7.113 ( 0.574 2.048 1.337) 2.512 7.158 ( 0.697 0.907 -3.289) 3.483 8.044 ( -0.040 -0.175 1.891) 1.899 8.076 ( 0.077 0.474 2.008) 2.064 8.083 ( 0.308 0.340 -1.356) 1.432 8.145 ( 0.817 1.362 -4.646) 4.910 9.699 ( -1.424 -2.482 3.042) 4.176 9.751 ( -0.951 -1.502 -2.040) 2.706 9.775 ( 1.035 1.028 2.489) 2.885 9.810 ( 0.478 1.475 -0.852) 1.769 10.150 ( 0.541 1.084 7.172) 7.273 10.253 ( -1.132 -1.906 -2.421) 3.283 10.379 ( -1.234 -0.713 4.519) 4.738 10.411 ( 1.002 -1.607 5.710) 6.016 10.473 ( -2.238 -1.363 -4.638) 5.327 10.545 ( -0.453 -1.823 -6.737) 6.994 10.734 ( 1.907 3.719 -1.147) 4.334 10.759 ( 1.481 2.430 -3.164) 4.255 11.208 ( 1.214 3.337 1.703) 3.939 11.212 ( 3.142 2.546 1.876) 4.459 11.232 ( 1.534 3.257 -0.420) 3.624 11.256 ( 1.521 3.767 -2.094) 4.570 11.558 ( -0.039 -0.060 5.423) 5.423 11.588 ( 0.564 1.096 5.554) 5.689 11.670 ( -0.228 -0.993 -5.609) 5.701 11.715 ( -0.265 -0.052 -6.831) 6.836 11.766 ( -3.520 -6.107 0.781) 7.092 11.800 ( -3.636 -6.360 -3.341) 8.052 12.543 ( -2.786 -4.793 6.831) 8.798 12.668 ( -3.606 -6.209 -5.984) 9.347 12.788 ( 0.859 1.413 7.967) 8.136 12.925 ( 1.411 1.867 -2.801) 3.650 12.941 ( 1.487 3.232 1.072) 3.716 13.025 ( 1.943 3.341 -4.240) 5.737 13.121 ( -0.142 -0.300 3.021) 3.039 13.181 ( 0.433 0.770 -3.148) 3.270 22.827 ( -1.021 -2.372 1.333) 2.906 22.861 ( -1.138 -1.682 -1.912) 2.789 22.868 ( -0.388 -0.325 0.665) 0.836 22.893 ( -0.897 -0.524 -1.624) 1.927 22.989 ( 1.389 1.194 0.743) 1.976 23.013 ( 1.543 0.514 -1.577) 2.266 23.125 ( 0.393 2.922 0.674) 3.024 23.137 ( 0.084 3.742 -0.535) 3.781 23.203 ( 3.342 3.226 1.329) 4.831 23.232 ( 3.231 4.325 -1.457) 5.591 23.637 ( -2.047 -3.538 3.182) 5.180 23.656 ( -2.628 -2.858 1.503) 4.163 23.713 ( 0.920 -0.956 4.045) 4.257 23.752 ( -0.200 0.841 0.186) 0.884 23.780 ( 0.409 0.810 1.630) 1.865 23.805 ( 0.200 0.205 -0.660) 0.720 23.843 ( -1.252 -2.633 0.706) 3.000 23.864 ( -1.874 -2.574 -0.784) 3.279 23.970 ( 0.191 -0.106 2.601) 2.610 23.999 ( -1.329 -2.026 -0.414) 2.458 24.138 ( 0.452 0.653 5.663) 5.718 24.243 ( 2.764 4.881 -4.566) 7.232 24.529 ( -0.681 -1.181 -1.567) 2.077 24.563 ( -1.605 -2.787 -4.553) 5.575 ======================= Grid point 138 (30/32) ======================= q-point: ( 0.33 0.17 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.478 2.545 6.049) 7.945 1.713 ( 0.461 -2.507 -3.112) 4.023 1.802 ( -2.919 2.787 7.597) 8.603 1.843 ( 1.272 3.670 2.536) 4.639 1.938 ( 4.451 7.494 5.829) 10.486 1.958 ( 0.749 6.051 -0.102) 6.098 2.051 ( -0.684 1.429 1.184) 1.978 2.100 ( -0.052 -0.421 0.886) 0.982 2.268 ( -0.965 0.481 5.026) 5.140 2.304 ( -2.546 -1.426 2.208) 3.660 2.433 ( 1.794 1.820 2.994) 3.937 2.497 ( 5.214 0.416 -0.727) 5.280 2.587 ( -1.135 3.933 2.443) 4.767 2.617 ( -1.471 0.031 4.628) 4.856 2.711 ( 1.310 -2.278 -7.302) 7.760 2.770 ( -1.908 -3.069 -7.783) 8.581 2.859 ( -3.402 -10.103 1.727) 10.800 2.946 ( -0.207 -10.843 -6.759) 12.778 3.061 ( -1.303 3.250 -1.205) 3.703 3.088 ( -4.570 -1.273 -3.711) 6.023 3.336 ( 3.401 0.647 6.759) 7.594 3.370 ( 1.855 0.304 5.372) 5.692 3.386 ( 2.221 -2.624 2.380) 4.181 3.417 ( -3.878 -0.710 5.459) 6.734 3.477 ( -5.789 -1.126 0.193) 5.901 3.494 ( 3.860 -1.087 -0.689) 4.069 3.727 ( 5.520 8.949 11.988) 15.946 3.886 ( -0.275 5.612 -2.213) 6.039 3.940 ( -6.165 1.431 8.093) 10.273 3.980 ( 3.461 0.018 1.070) 3.623 3.995 ( 7.129 2.369 8.641) 11.450 4.043 ( -0.126 0.653 3.913) 3.969 4.067 ( 2.615 0.013 3.539) 4.401 4.207 ( -0.218 0.320 -1.461) 1.512 4.248 ( -2.497 -2.628 -3.680) 5.165 4.298 ( 8.904 4.710 -1.825) 10.237 4.332 ( -0.426 1.604 3.488) 3.863 4.482 ( -2.896 3.699 8.689) 9.878 4.564 ( 1.981 1.232 -9.098) 9.392 4.580 ( -6.918 -3.323 1.188) 7.766 4.642 ( -2.409 -2.839 0.166) 3.727 4.695 ( -5.106 0.517 -2.390) 5.661 4.715 ( -4.653 3.775 -0.907) 6.060 4.782 ( 2.673 -1.828 3.655) 4.883 4.862 ( 2.417 -4.351 -12.835) 13.766 4.981 ( 1.383 -0.958 -11.464) 11.587 5.051 ( 2.154 -1.680 7.245) 7.743 5.111 ( 2.118 0.200 1.045) 2.370 5.149 ( -0.598 -0.153 -2.041) 2.132 5.230 ( 0.374 -0.315 -6.679) 6.697 5.278 ( 3.673 2.183 0.133) 4.274 5.342 ( -1.227 -0.145 -3.024) 3.266 5.445 ( -0.729 -2.365 3.776) 4.515 5.530 ( 1.391 1.415 -3.294) 3.846 5.650 ( -4.083 -5.831 -1.838) 7.352 5.669 ( -5.781 -7.884 -3.622) 10.426 5.893 ( 2.709 1.397 1.900) 3.592 5.946 ( -1.079 -1.573 2.794) 3.383 5.970 ( 1.740 3.467 -5.568) 6.786 6.032 ( -2.229 -0.003 -4.372) 4.908 6.100 ( 0.392 1.063 5.776) 5.887 6.243 ( 0.318 2.188 -7.574) 7.890 7.003 ( 0.414 -0.313 1.711) 1.787 7.017 ( -0.135 -0.845 0.431) 0.959 7.045 ( 0.108 0.389 3.511) 3.534 7.101 ( -1.079 2.342 -1.682) 3.079 7.145 ( 1.266 0.636 0.248) 1.439 7.171 ( 0.412 -0.413 -2.404) 2.474 8.043 ( -0.296 0.567 2.107) 2.202 8.078 ( 0.274 -0.366 1.931) 1.985 8.091 ( -0.290 1.123 -1.562) 1.945 8.159 ( 0.710 -0.958 -5.317) 5.449 9.661 ( 0.076 -2.418 3.121) 3.949 9.720 ( -0.576 -1.285 -2.457) 2.831 9.800 ( 0.179 1.296 2.033) 2.417 9.828 ( 0.168 0.956 -0.026) 0.971 10.165 ( -0.572 1.835 3.328) 3.844 10.233 ( 0.286 -0.924 -2.815) 2.976 10.354 ( -0.341 -1.188 4.877) 5.031 10.414 ( -2.124 1.171 3.303) 4.098 10.443 ( 1.842 -1.152 -0.474) 2.224 10.513 ( -0.279 -3.019 -4.009) 5.026 10.781 ( 0.544 1.593 -2.285) 2.838 10.792 ( 0.557 0.608 -3.005) 3.116 11.243 ( -1.122 3.679 2.230) 4.446 11.264 ( -2.041 4.748 0.356) 5.180 11.317 ( 4.586 1.957 1.952) 5.355 11.359 ( 5.855 2.106 -1.864) 6.495 11.552 ( -0.752 -0.482 5.862) 5.930 11.594 ( -0.141 -1.376 3.832) 4.074 11.616 ( -4.001 -4.384 2.705) 6.523 11.667 ( -2.798 -1.883 -2.592) 4.254 11.692 ( 1.472 -0.594 -5.620) 5.840 11.726 ( -0.894 -1.539 -7.002) 7.225 12.485 ( -0.448 -1.012 3.026) 3.222 12.561 ( -2.201 -4.144 -4.503) 6.503 12.811 ( 0.320 0.836 8.022) 8.072 12.955 ( 0.138 1.292 -6.696) 6.821 13.000 ( 1.408 2.686 4.806) 5.682 13.084 ( 1.296 1.128 -2.511) 3.042 13.107 ( -0.163 -0.373 1.887) 1.930 13.174 ( -0.627 -1.123 -3.651) 3.871 22.799 ( 0.388 -2.248 1.474) 2.716 22.838 ( 0.359 -1.796 -2.473) 3.077 22.864 ( -0.161 0.507 0.490) 0.723 22.880 ( -0.185 -0.300 -0.998) 1.059 23.009 ( -2.023 3.809 0.001) 4.313 23.024 ( -2.213 3.058 -1.363) 4.013 23.166 ( 1.704 1.461 1.826) 2.893 23.196 ( 2.924 1.665 -1.168) 3.562 23.267 ( 2.299 -0.321 2.371) 3.318 23.300 ( 1.752 -0.717 -0.606) 1.987 23.565 ( -1.182 -2.748 2.521) 3.912 23.577 ( -2.268 -3.023 1.496) 4.065 23.725 ( -0.890 1.704 3.584) 4.068 23.761 ( 0.473 0.849 1.456) 1.750 23.790 ( 0.070 0.541 -0.249) 0.600 23.808 ( 0.062 -0.044 0.697) 0.701 23.819 ( -0.783 -0.093 -1.224) 1.456 23.827 ( -0.162 -0.658 -1.396) 1.552 23.962 ( -0.849 -1.264 1.178) 1.925 23.969 ( 0.420 -0.938 0.455) 1.124 24.147 ( 0.047 0.390 9.152) 9.160 24.326 ( 1.920 2.811 -8.160) 8.842 24.500 ( -1.606 -0.977 -1.038) 2.147 24.518 ( -0.172 -1.781 -3.122) 3.598 ======================= Grid point 139 (31/32) ======================= q-point: (-0.50 0.17 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.071 -3.391 3.125) 6.152 1.697 ( 1.155 -0.317 -0.441) 1.276 1.812 ( -1.144 1.543 6.645) 6.917 1.838 ( -8.497 3.678 3.415) 9.868 1.907 ( -4.422 2.080 2.477) 5.479 1.929 ( -3.296 -0.006 1.938) 3.824 2.100 ( 2.048 0.688 5.979) 6.357 2.140 ( -3.847 -0.811 1.538) 4.221 2.248 ( -0.579 -0.861 3.169) 3.335 2.305 ( 3.213 3.977 -1.355) 5.289 2.399 ( -3.601 0.391 5.604) 6.672 2.494 ( -4.241 -4.524 -4.193) 7.485 2.615 ( -0.065 0.553 4.926) 4.957 2.640 ( 3.197 4.491 2.688) 6.133 2.700 ( -2.350 -4.156 -3.884) 6.155 2.770 ( 7.258 -0.553 -2.337) 7.645 2.878 ( 10.177 -1.169 -3.831) 10.937 2.910 ( 4.824 -4.542 -9.389) 11.491 3.080 ( 1.687 3.008 -0.681) 3.515 3.109 ( 4.556 1.192 -3.384) 5.799 3.303 ( -2.023 0.311 4.824) 5.240 3.315 ( -2.887 -0.583 2.356) 3.771 3.370 ( -4.209 -1.888 5.139) 6.906 3.443 ( -0.006 0.637 -0.509) 0.816 3.462 ( 5.643 0.391 7.469) 9.370 3.550 ( 3.747 -1.755 0.829) 4.220 3.752 ( -11.972 -2.529 14.725) 19.146 3.846 ( -1.012 6.058 5.102) 7.985 3.932 ( -1.961 3.353 -3.182) 5.021 3.938 ( -5.782 0.020 4.230) 7.164 4.011 ( -0.645 -5.205 2.888) 5.987 4.064 ( -0.691 -0.573 6.035) 6.101 4.131 ( -0.595 -4.516 2.058) 4.999 4.165 ( -0.550 3.025 1.734) 3.530 4.227 ( -0.992 -0.453 -2.774) 2.980 4.304 ( 0.526 -2.208 -6.110) 6.518 4.386 ( -5.562 -3.013 5.618) 8.460 4.465 ( 1.196 4.710 11.245) 12.251 4.545 ( -3.160 0.673 -5.732) 6.580 4.602 ( 7.155 6.655 -0.916) 9.815 4.632 ( -0.066 -0.474 2.086) 2.140 4.683 ( 3.455 1.809 -4.616) 6.043 4.699 ( -2.374 6.294 -2.435) 7.154 4.795 ( 3.292 -2.823 -4.089) 5.960 4.897 ( 2.036 -0.671 -5.782) 6.167 4.933 ( -2.391 -5.807 -5.897) 8.615 5.047 ( -1.046 -0.327 2.436) 2.671 5.097 ( 1.877 -0.553 -0.310) 1.982 5.179 ( -0.647 0.041 -6.444) 6.476 5.193 ( -1.867 -1.511 -4.648) 5.232 5.327 ( 1.516 -3.814 2.591) 4.853 5.359 ( -1.884 1.169 3.512) 4.153 5.438 ( 3.864 -0.611 -1.405) 4.157 5.521 ( -3.713 0.259 -5.808) 6.898 5.638 ( 8.424 0.501 -0.827) 8.480 5.671 ( 8.785 1.455 -3.909) 9.725 5.883 ( -3.167 -1.149 2.759) 4.355 5.942 ( 0.418 0.474 1.307) 1.452 5.981 ( -2.290 -0.762 -4.326) 4.954 6.037 ( 1.795 2.060 -5.161) 5.840 6.097 ( -1.447 0.203 6.607) 6.767 6.243 ( -2.042 0.812 -7.617) 7.927 7.002 ( -0.063 -0.422 1.768) 1.819 7.017 ( 0.873 -0.373 0.213) 0.973 7.047 ( -0.182 -0.004 3.581) 3.586 7.098 ( -1.737 2.060 -1.132) 2.923 7.150 ( -1.070 -0.669 -0.319) 1.301 7.168 ( 0.143 -0.553 -2.307) 2.376 8.043 ( -0.380 0.540 2.145) 2.244 8.080 ( 0.344 -0.521 2.072) 2.164 8.091 ( -0.941 0.914 -1.790) 2.219 8.158 ( 0.454 -1.092 -5.272) 5.404 9.661 ( 2.062 -1.282 3.085) 3.926 9.719 ( 1.318 -0.104 -2.436) 2.772 9.799 ( -1.356 0.549 2.348) 2.767 9.830 ( -0.680 0.238 -0.348) 0.800 10.166 ( -1.231 1.405 3.301) 3.793 10.234 ( 0.722 -0.784 -2.879) 3.070 10.359 ( 1.940 -0.542 5.014) 5.403 10.391 ( -1.451 1.642 3.112) 3.806 10.468 ( 0.657 -1.076 -0.095) 1.264 10.503 ( 2.699 -1.215 -4.246) 5.176 10.783 ( -1.490 0.281 -2.397) 2.836 10.791 ( -0.851 -0.181 -2.870) 2.999 11.242 ( -2.567 2.736 2.073) 4.286 11.256 ( -3.653 3.581 0.737) 5.169 11.323 ( -3.721 -2.479 1.794) 4.818 11.363 ( -4.529 -3.990 -2.040) 6.371 11.559 ( 0.155 0.248 5.429) 5.437 11.576 ( 3.048 0.298 5.395) 6.203 11.628 ( 4.981 0.573 1.587) 5.259 11.658 ( 1.955 1.183 -3.394) 4.092 11.699 ( 0.552 -1.292 -4.393) 4.612 11.724 ( 1.726 0.134 -7.326) 7.528 12.485 ( 1.115 -0.125 3.019) 3.221 12.561 ( 4.701 -0.169 -4.503) 6.511 12.811 ( -0.905 0.148 8.029) 8.081 12.953 ( -1.354 0.554 -6.084) 6.258 13.003 ( -2.853 0.083 4.071) 4.971 13.083 ( -1.537 -0.554 -2.228) 2.763 13.107 ( 0.304 -0.031 1.753) 1.780 13.174 ( 1.294 -0.024 -3.679) 3.900 22.797 ( 1.553 -1.333 1.503) 2.539 22.837 ( 1.314 -1.164 -2.547) 3.093 22.868 ( -0.016 0.173 0.445) 0.478 22.882 ( 0.715 -0.186 -0.844) 1.122 23.003 ( -2.715 3.634 -0.102) 4.537 23.016 ( -2.226 3.573 -1.288) 4.403 23.186 ( -1.174 -0.318 1.590) 2.002 23.208 ( -1.620 -2.441 -0.387) 2.955 23.260 ( -2.963 -1.927 1.299) 3.765 23.279 ( 0.072 -1.437 -0.084) 1.441 23.566 ( 3.149 -0.217 2.856) 4.257 23.587 ( 4.347 -0.143 1.071) 4.480 23.713 ( -1.878 1.712 3.774) 4.550 23.767 ( -0.897 0.317 -0.848) 1.274 23.792 ( -0.259 0.307 1.546) 1.597 23.802 ( -0.027 -0.165 0.638) 0.659 23.820 ( 0.189 0.297 -0.604) 0.699 23.832 ( 1.033 -0.042 -1.450) 1.781 23.956 ( 0.911 -0.017 1.554) 1.801 23.974 ( 1.118 -0.674 -0.124) 1.311 24.147 ( -0.400 0.166 9.239) 9.250 24.326 ( -3.364 -0.270 -8.199) 8.866 24.499 ( 1.652 0.905 -0.989) 2.127 24.518 ( 1.622 -0.740 -3.143) 3.613 ======================= Grid point 144 (32/32) ======================= q-point: ( 0.33 0.33 0.43) 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 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.470 -0.939 -0.657) 1.239 1.673 ( 0.470 0.939 -0.657) 1.239 1.812 ( -0.000 -0.000 11.991) 11.991 1.915 ( -0.000 -0.000 1.252) 1.252 2.015 ( -0.872 -1.745 1.212) 2.297 2.015 ( 0.872 1.745 1.212) 2.297 2.115 ( -0.922 -1.845 4.826) 5.248 2.115 ( 0.922 1.845 4.826) 5.248 2.265 ( 0.000 0.000 4.980) 4.980 2.321 ( -0.000 0.000 -1.379) 1.379 2.465 ( -0.600 -1.200 4.163) 4.374 2.465 ( 0.600 1.200 4.163) 4.374 2.616 ( -1.076 -2.152 -4.083) 4.739 2.616 ( 1.076 2.152 -4.083) 4.739 2.635 ( 0.000 -0.000 8.098) 8.098 2.748 ( -0.539 -1.079 -5.605) 5.734 2.748 ( 0.539 1.079 -5.605) 5.734 2.829 ( -0.000 0.000 -11.713) 11.713 3.082 ( -0.000 -0.000 -1.388) 1.388 3.110 ( -0.000 -0.000 -4.463) 4.463 3.322 ( -0.656 -1.312 8.468) 8.594 3.322 ( 0.656 1.312 8.468) 8.594 3.389 ( -0.000 0.000 6.205) 6.205 3.444 ( -1.367 -2.735 0.101) 3.059 3.444 ( 1.367 2.735 0.101) 3.059 3.482 ( -0.000 -0.000 -2.939) 2.939 3.874 ( -1.550 -3.099 5.194) 6.244 3.874 ( 1.550 3.099 5.194) 6.244 3.919 ( -0.000 -0.000 6.119) 6.119 4.028 ( -0.000 0.000 -4.309) 4.309 4.044 ( -0.491 -0.981 8.160) 8.233 4.044 ( 0.491 0.981 8.160) 8.233 4.125 ( -1.886 -3.772 3.995) 5.809 4.125 ( 1.886 3.772 3.995) 5.809 4.306 ( -0.000 -0.000 13.011) 13.011 4.335 ( -3.101 -6.203 0.901) 6.993 4.335 ( 3.101 6.203 0.901) 6.993 4.454 ( 0.000 -0.000 -1.849) 1.849 4.573 ( 0.000 -0.000 4.389) 4.389 4.606 ( -1.113 -2.227 -3.673) 4.437 4.606 ( 1.113 2.227 -3.673) 4.437 4.689 ( -1.535 -3.070 -9.406) 10.012 4.689 ( 1.535 3.070 -9.406) 10.012 4.857 ( -2.118 -4.235 2.949) 5.578 4.857 ( 2.118 4.235 2.949) 5.578 4.895 ( 0.000 0.000 -14.032) 14.032 5.082 ( 0.000 0.000 5.491) 5.491 5.095 ( -1.794 -3.588 -2.588) 4.774 5.095 ( 1.794 3.588 -2.588) 4.774 5.263 ( -0.000 -0.000 -10.583) 10.583 5.317 ( -1.084 -2.167 -0.824) 2.559 5.317 ( 1.084 2.167 -0.824) 2.559 5.429 ( -0.000 -0.000 8.847) 8.847 5.555 ( -0.689 -1.378 -3.471) 3.797 5.555 ( 0.689 1.378 -3.471) 3.797 5.587 ( -0.000 0.000 -7.452) 7.452 5.920 ( -0.628 -1.256 3.330) 3.614 5.920 ( 0.628 1.256 3.330) 3.614 6.022 ( -0.618 -1.236 -6.496) 6.642 6.022 ( 0.618 1.236 -6.496) 6.642 6.112 ( -0.000 -0.000 8.144) 8.144 6.267 ( -0.000 -0.000 -7.792) 7.792 7.004 ( -0.178 -0.357 1.038) 1.112 7.004 ( 0.178 0.357 1.038) 1.112 7.049 ( -0.000 -0.000 4.556) 4.556 7.136 ( 0.000 -0.000 -3.925) 3.925 7.154 ( -0.161 -0.321 -0.266) 0.447 7.154 ( 0.161 0.321 -0.266) 0.447 8.061 ( -0.512 -1.024 2.519) 2.767 8.061 ( 0.512 1.024 2.519) 2.767 8.126 ( -0.936 -1.873 -4.062) 4.570 8.126 ( 0.936 1.873 -4.062) 4.570 9.635 ( -0.000 -0.000 3.117) 3.117 9.701 ( -0.000 -0.000 -3.557) 3.557 9.827 ( -0.444 -0.888 2.004) 2.236 9.827 ( 0.444 0.888 2.004) 2.236 10.206 ( -0.894 -1.789 -1.264) 2.365 10.206 ( 0.894 1.789 -1.264) 2.365 10.336 ( -0.000 -0.000 6.339) 6.339 10.444 ( -0.646 -1.293 2.871) 3.214 10.444 ( 0.646 1.293 2.871) 3.214 10.451 ( -0.000 -0.000 -5.470) 5.470 10.797 ( -0.052 -0.104 -3.004) 3.006 10.797 ( 0.052 0.104 -3.004) 3.006 11.292 ( -0.000 -0.000 4.020) 4.020 11.339 ( -0.201 -0.402 0.630) 0.774 11.339 ( 0.201 0.402 0.630) 0.774 11.375 ( 0.000 -0.000 -4.033) 4.033 11.541 ( -0.616 -1.232 4.518) 4.724 11.541 ( 0.616 1.232 4.518) 4.724 11.567 ( 0.000 -0.000 5.023) 5.023 11.683 ( -0.595 -1.189 -3.097) 3.370 11.683 ( 0.595 1.189 -3.097) 3.370 11.698 ( 0.000 -0.000 -8.183) 8.183 12.496 ( -0.973 -1.946 -1.300) 2.535 12.496 ( 0.973 1.946 -1.300) 2.535 12.820 ( -0.000 -0.000 8.226) 8.226 12.970 ( -0.000 -0.000 -7.189) 7.189 13.053 ( -1.177 -2.354 4.185) 4.944 13.053 ( 1.177 2.354 4.185) 4.944 13.140 ( -0.990 -1.979 -3.765) 4.367 13.140 ( 0.990 1.979 -3.765) 4.367 22.776 ( -0.000 -0.000 1.600) 1.600 22.819 ( -0.000 -0.000 -2.761) 2.761 22.872 ( -0.162 -0.323 -0.162) 0.396 22.872 ( 0.162 0.323 -0.162) 0.396 23.057 ( -0.193 -0.385 -0.935) 1.030 23.057 ( 0.193 0.385 -0.935) 1.030 23.220 ( 0.000 -0.000 2.638) 2.638 23.227 ( -0.447 -0.893 1.429) 1.744 23.227 ( 0.447 0.893 1.429) 1.744 23.263 ( 0.000 -0.000 -1.801) 1.801 23.539 ( -0.157 -0.313 1.610) 1.648 23.539 ( 0.157 0.313 1.610) 1.648 23.763 ( -0.703 -1.406 1.895) 2.462 23.763 ( 0.703 1.406 1.895) 2.462 23.792 ( -0.000 0.000 2.665) 2.665 23.814 ( -0.314 -0.628 -1.164) 1.359 23.814 ( 0.314 0.628 -1.164) 1.359 23.821 ( -0.000 0.000 -0.405) 0.405 23.952 ( -0.262 -0.523 0.086) 0.591 23.952 ( 0.262 0.523 0.086) 0.591 24.152 ( -0.000 -0.000 10.308) 10.308 24.358 ( -0.000 -0.000 -10.412) 10.412 24.493 ( -0.235 -0.469 -1.186) 1.297 24.493 ( 0.235 0.469 -1.186) 1.297 =================== 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 3/31752 10.0 11.120 11.120 41.057 -0.000 -0.000 -0.000 3/31752 20.0 5.972 5.972 13.856 -0.000 -0.000 -0.000 3/31752 30.0 3.447 3.447 6.060 -0.000 -0.000 -0.000 3/31752 40.0 2.347 2.347 3.729 -0.000 -0.000 -0.000 3/31752 50.0 1.774 1.774 2.711 -0.000 -0.000 -0.000 3/31752 60.0 1.429 1.429 2.153 -0.000 -0.000 -0.000 3/31752 70.0 1.200 1.200 1.800 -0.000 -0.000 -0.000 3/31752 80.0 1.036 1.036 1.556 -0.000 -0.000 -0.000 3/31752 90.0 0.913 0.913 1.376 -0.000 -0.000 -0.000 3/31752 100.0 0.818 0.818 1.236 -0.000 -0.000 -0.000 3/31752 110.0 0.741 0.741 1.125 -0.000 -0.000 -0.000 3/31752 120.0 0.679 0.679 1.034 -0.000 -0.000 -0.000 3/31752 130.0 0.626 0.626 0.959 -0.000 -0.000 -0.000 3/31752 140.0 0.582 0.582 0.894 -0.000 -0.000 -0.000 3/31752 150.0 0.544 0.544 0.839 -0.000 -0.000 -0.000 3/31752 160.0 0.511 0.511 0.791 -0.000 -0.000 -0.000 3/31752 170.0 0.482 0.482 0.749 -0.000 -0.000 -0.000 3/31752 180.0 0.456 0.456 0.712 -0.000 -0.000 -0.000 3/31752 190.0 0.433 0.433 0.679 -0.000 -0.000 -0.000 3/31752 200.0 0.413 0.413 0.649 -0.000 -0.000 -0.000 3/31752 210.0 0.395 0.395 0.623 -0.000 -0.000 -0.000 3/31752 220.0 0.378 0.378 0.598 -0.000 -0.000 -0.000 3/31752 230.0 0.363 0.363 0.576 -0.000 -0.000 -0.000 3/31752 240.0 0.349 0.349 0.556 -0.000 -0.000 -0.000 3/31752 250.0 0.336 0.336 0.537 -0.000 -0.000 -0.000 3/31752 260.0 0.324 0.324 0.520 -0.000 -0.000 -0.000 3/31752 270.0 0.313 0.313 0.504 -0.000 -0.000 -0.000 3/31752 280.0 0.303 0.303 0.489 -0.000 -0.000 -0.000 3/31752 290.0 0.293 0.293 0.475 -0.000 -0.000 -0.000 3/31752 300.0 0.285 0.285 0.462 -0.000 -0.000 -0.000 3/31752 310.0 0.276 0.276 0.450 -0.000 -0.000 -0.000 3/31752 320.0 0.268 0.268 0.438 -0.000 -0.000 -0.000 3/31752 330.0 0.261 0.261 0.427 -0.000 -0.000 -0.000 3/31752 340.0 0.254 0.254 0.417 -0.000 -0.000 -0.000 3/31752 350.0 0.248 0.248 0.407 -0.000 -0.000 -0.000 3/31752 360.0 0.241 0.241 0.397 -0.000 -0.000 -0.000 3/31752 370.0 0.235 0.235 0.389 -0.000 -0.000 -0.000 3/31752 380.0 0.230 0.230 0.380 -0.000 -0.000 -0.000 3/31752 390.0 0.225 0.225 0.372 -0.000 -0.000 -0.000 3/31752 400.0 0.219 0.219 0.364 -0.000 -0.000 -0.000 3/31752 410.0 0.215 0.215 0.357 -0.000 -0.000 -0.000 3/31752 420.0 0.210 0.210 0.349 -0.000 -0.000 -0.000 3/31752 430.0 0.205 0.205 0.343 -0.000 -0.000 -0.000 3/31752 440.0 0.201 0.201 0.336 -0.000 -0.000 -0.000 3/31752 450.0 0.197 0.197 0.330 -0.000 -0.000 -0.000 3/31752 460.0 0.193 0.193 0.324 -0.000 -0.000 -0.000 3/31752 470.0 0.189 0.189 0.318 -0.000 -0.000 -0.000 3/31752 480.0 0.186 0.186 0.312 -0.000 -0.000 -0.000 3/31752 490.0 0.182 0.182 0.306 -0.000 -0.000 -0.000 3/31752 500.0 0.179 0.179 0.301 -0.000 -0.000 -0.000 3/31752 510.0 0.176 0.176 0.296 -0.000 -0.000 -0.000 3/31752 520.0 0.173 0.173 0.291 -0.000 -0.000 -0.000 3/31752 530.0 0.170 0.170 0.286 -0.000 -0.000 -0.000 3/31752 540.0 0.167 0.167 0.282 -0.000 -0.000 -0.000 3/31752 550.0 0.164 0.164 0.277 -0.000 -0.000 -0.000 3/31752 560.0 0.161 0.161 0.273 -0.000 -0.000 -0.000 3/31752 570.0 0.158 0.158 0.269 -0.000 -0.000 -0.000 3/31752 580.0 0.156 0.156 0.265 -0.000 -0.000 -0.000 3/31752 590.0 0.153 0.153 0.261 -0.000 -0.000 -0.000 3/31752 600.0 0.151 0.151 0.257 -0.000 -0.000 -0.000 3/31752 610.0 0.149 0.149 0.253 -0.000 -0.000 -0.000 3/31752 620.0 0.146 0.146 0.249 -0.000 -0.000 -0.000 3/31752 630.0 0.144 0.144 0.246 -0.000 -0.000 -0.000 3/31752 640.0 0.142 0.142 0.242 -0.000 -0.000 -0.000 3/31752 650.0 0.140 0.140 0.239 -0.000 -0.000 -0.000 3/31752 660.0 0.138 0.138 0.236 -0.000 -0.000 -0.000 3/31752 670.0 0.136 0.136 0.232 -0.000 -0.000 -0.000 3/31752 680.0 0.134 0.134 0.229 -0.000 -0.000 -0.000 3/31752 690.0 0.132 0.132 0.226 -0.000 -0.000 -0.000 3/31752 700.0 0.131 0.131 0.223 -0.000 -0.000 -0.000 3/31752 710.0 0.129 0.129 0.221 -0.000 -0.000 -0.000 3/31752 720.0 0.127 0.127 0.218 -0.000 -0.000 -0.000 3/31752 730.0 0.126 0.126 0.215 -0.000 -0.000 -0.000 3/31752 740.0 0.124 0.124 0.212 -0.000 -0.000 -0.000 3/31752 750.0 0.122 0.122 0.210 -0.000 -0.000 -0.000 3/31752 760.0 0.121 0.121 0.207 -0.000 -0.000 -0.000 3/31752 770.0 0.119 0.119 0.205 -0.000 -0.000 -0.000 3/31752 780.0 0.118 0.118 0.202 -0.000 -0.000 -0.000 3/31752 790.0 0.116 0.116 0.200 -0.000 -0.000 -0.000 3/31752 800.0 0.115 0.115 0.198 -0.000 -0.000 -0.000 3/31752 810.0 0.114 0.114 0.195 -0.000 -0.000 -0.000 3/31752 820.0 0.112 0.112 0.193 -0.000 -0.000 -0.000 3/31752 830.0 0.111 0.111 0.191 -0.000 -0.000 -0.000 3/31752 840.0 0.110 0.110 0.189 -0.000 -0.000 -0.000 3/31752 850.0 0.109 0.109 0.187 -0.000 -0.000 -0.000 3/31752 860.0 0.107 0.107 0.185 -0.000 -0.000 -0.000 3/31752 870.0 0.106 0.106 0.183 -0.000 -0.000 -0.000 3/31752 880.0 0.105 0.105 0.181 -0.000 -0.000 -0.000 3/31752 890.0 0.104 0.104 0.179 -0.000 -0.000 -0.000 3/31752 900.0 0.103 0.103 0.177 -0.000 -0.000 -0.000 3/31752 910.0 0.102 0.102 0.175 -0.000 -0.000 -0.000 3/31752 920.0 0.101 0.101 0.173 -0.000 -0.000 -0.000 3/31752 930.0 0.100 0.100 0.172 -0.000 -0.000 -0.000 3/31752 940.0 0.099 0.099 0.170 -0.000 -0.000 -0.000 3/31752 950.0 0.098 0.098 0.168 -0.000 -0.000 -0.000 3/31752 960.0 0.097 0.097 0.167 -0.000 -0.000 -0.000 3/31752 970.0 0.096 0.096 0.165 -0.000 -0.000 -0.000 3/31752 980.0 0.095 0.095 0.163 -0.000 -0.000 -0.000 3/31752 990.0 0.094 0.094 0.162 -0.000 -0.000 -0.000 3/31752 1000.0 0.093 0.093 0.160 -0.000 -0.000 -0.000 3/31752 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|