----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:35:49]------------------------- Compiled with OpenMP support (max 48 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: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.181315860000000 Atomic positions (fractional): *1 O 0.46039937212385 0.66866916909440 0.70156048821646 15.999 2 O 0.03960062787615 0.16866916909440 0.20156048821646 15.999 3 O 0.46039937212385 0.83133083090560 0.70156048821646 15.999 4 O 0.53960062787615 0.33133083090560 0.29843951178354 15.999 5 O 0.96039937212385 0.66866916909440 0.79843951178354 15.999 6 O 0.96039937212385 0.83133083090560 0.79843951178354 15.999 7 O 0.53960062787615 0.16866916909440 0.29843951178354 15.999 8 O 0.03960062787615 0.33133083090560 0.20156048821646 15.999 *9 F 0.66524616889164 0.37451331087360 0.82519286974063 18.998 10 F 0.83475383110836 0.62548668912640 0.32519286974063 18.998 11 F 0.16524616889165 0.12548668912640 0.67480713025937 18.998 12 F 0.33475383110836 0.87451331087360 0.17480713025937 18.998 13 F 0.66524616889164 0.12548668912640 0.82519286974063 18.998 *14 F 0.60907352799018 0.75000000000000 0.14200040675103 18.998 15 F 0.83475383110836 0.87451331087360 0.32519286974063 18.998 16 F 0.16524616889165 0.37451331087360 0.67480713025937 18.998 17 F 0.33475383110836 0.62548668912640 0.17480713025937 18.998 18 F 0.39092647200982 0.25000000000000 0.85799959324897 18.998 19 F 0.10907352799018 0.75000000000000 0.35799959324897 18.998 20 F 0.89092647200982 0.25000000000000 0.64200040675103 18.998 *21 F 0.11937024990818 0.48567405549038 0.28616931827503 18.998 22 F 0.38062975009182 0.51432594450962 0.78616931827503 18.998 23 F 0.61937024990818 0.01432594450962 0.21383068172497 18.998 24 F 0.88062975009182 0.98567405549038 0.71383068172497 18.998 25 F 0.88062975009182 0.51432594450962 0.71383068172497 18.998 26 F 0.61937024990818 0.48567405549038 0.21383068172497 18.998 27 F 0.38062975009182 0.98567405549038 0.78616931827503 18.998 28 F 0.11937024990818 0.01432594450962 0.28616931827503 18.998 *29 Lu 0.17103543977380 0.90268901967347 0.53881671748536 174.967 30 Lu 0.32896456022620 0.09731098032653 0.03881671748536 174.967 31 Lu 0.67103543977380 0.59731098032653 0.96118328251464 174.967 32 Lu 0.82896456022620 0.40268901967347 0.46118328251464 174.967 33 Lu 0.82896456022620 0.09731098032653 0.46118328251464 174.967 34 Lu 0.67103543977380 0.90268901967347 0.96118328251464 174.967 35 Lu 0.32896456022620 0.40268901967347 0.03881671748536 174.967 36 Lu 0.17103543977380 0.59731098032653 0.53881671748536 174.967 *37 Lu 0.23756443412603 0.75000000000000 0.95680147117375 174.967 38 Lu 0.26243556587397 0.25000000000000 0.45680147117376 174.967 39 Lu 0.73756443412603 0.75000000000000 0.54319852882625 174.967 40 Lu 0.76243556587397 0.25000000000000 0.04319852882625 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.181315860000000 Atomic positions (fractional): *1 O 0.46039937212385 0.66866916909440 0.70156048821646 15.999 > 1 2 O 0.03960062787615 0.16866916909440 0.20156048821646 15.999 > 2 3 O 0.46039937212385 0.83133083090560 0.70156048821646 15.999 > 3 4 O 0.53960062787615 0.33133083090560 0.29843951178354 15.999 > 4 5 O 0.96039937212385 0.66866916909440 0.79843951178354 15.999 > 5 6 O 0.96039937212385 0.83133083090560 0.79843951178354 15.999 > 6 7 O 0.53960062787615 0.16866916909440 0.29843951178354 15.999 > 7 8 O 0.03960062787615 0.33133083090560 0.20156048821646 15.999 > 8 *9 F 0.66524616889164 0.37451331087360 0.82519286974063 18.998 > 9 10 F 0.83475383110836 0.62548668912640 0.32519286974063 18.998 > 10 11 F 0.16524616889165 0.12548668912640 0.67480713025937 18.998 > 11 12 F 0.33475383110836 0.87451331087360 0.17480713025937 18.998 > 12 13 F 0.66524616889164 0.12548668912640 0.82519286974063 18.998 > 13 *14 F 0.60907352799018 0.75000000000000 0.14200040675103 18.998 > 14 15 F 0.83475383110836 0.87451331087360 0.32519286974063 18.998 > 15 16 F 0.16524616889165 0.37451331087360 0.67480713025937 18.998 > 16 17 F 0.33475383110836 0.62548668912640 0.17480713025937 18.998 > 17 18 F 0.39092647200982 0.25000000000000 0.85799959324897 18.998 > 18 19 F 0.10907352799018 0.75000000000000 0.35799959324897 18.998 > 19 20 F 0.89092647200982 0.25000000000000 0.64200040675103 18.998 > 20 *21 F 0.11937024990818 0.48567405549038 0.28616931827503 18.998 > 21 22 F 0.38062975009182 0.51432594450962 0.78616931827503 18.998 > 22 23 F 0.61937024990818 0.01432594450962 0.21383068172497 18.998 > 23 24 F 0.88062975009182 0.98567405549038 0.71383068172497 18.998 > 24 25 F 0.88062975009182 0.51432594450962 0.71383068172497 18.998 > 25 26 F 0.61937024990818 0.48567405549038 0.21383068172497 18.998 > 26 27 F 0.38062975009182 0.98567405549038 0.78616931827503 18.998 > 27 28 F 0.11937024990818 0.01432594450962 0.28616931827503 18.998 > 28 *29 Lu 0.17103543977380 0.90268901967347 0.53881671748536 174.967 > 29 30 Lu 0.32896456022620 0.09731098032653 0.03881671748536 174.967 > 30 31 Lu 0.67103543977380 0.59731098032653 0.96118328251464 174.967 > 31 32 Lu 0.82896456022620 0.40268901967347 0.46118328251464 174.967 > 32 33 Lu 0.82896456022620 0.09731098032653 0.46118328251464 174.967 > 33 34 Lu 0.67103543977380 0.90268901967347 0.96118328251464 174.967 > 34 35 Lu 0.32896456022620 0.40268901967347 0.03881671748536 174.967 > 35 36 Lu 0.17103543977380 0.59731098032653 0.53881671748536 174.967 > 36 *37 Lu 0.23756443412603 0.75000000000000 0.95680147117375 174.967 > 37 38 Lu 0.26243556587397 0.25000000000000 0.45680147117376 174.967 > 38 39 Lu 0.73756443412603 0.75000000000000 0.54319852882625 174.967 > 39 40 Lu 0.76243556587397 0.25000000000000 0.04319852882625 174.967 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.362631720000000 Atomic positions (fractional): *1 O 0.46039937212385 0.66866916909440 0.35078024410823 15.999 > 1 2 O 0.46039937212385 0.66866916909440 0.85078024410823 15.999 > 1 3 O 0.03960062787615 0.16866916909440 0.10078024410823 15.999 > 2 4 O 0.03960062787615 0.16866916909440 0.60078024410823 15.999 > 2 5 O 0.46039937212385 0.83133083090560 0.35078024410823 15.999 > 3 6 O 0.46039937212385 0.83133083090560 0.85078024410823 15.999 > 3 7 O 0.53960062787615 0.33133083090560 0.14921975589177 15.999 > 4 8 O 0.53960062787615 0.33133083090560 0.64921975589177 15.999 > 4 9 O 0.96039937212385 0.66866916909440 0.39921975589177 15.999 > 5 10 O 0.96039937212385 0.66866916909440 0.89921975589177 15.999 > 5 11 O 0.96039937212385 0.83133083090560 0.39921975589177 15.999 > 6 12 O 0.96039937212385 0.83133083090560 0.89921975589177 15.999 > 6 13 O 0.53960062787615 0.16866916909440 0.14921975589177 15.999 > 7 14 O 0.53960062787615 0.16866916909440 0.64921975589177 15.999 > 7 15 O 0.03960062787615 0.33133083090560 0.10078024410823 15.999 > 8 16 O 0.03960062787615 0.33133083090560 0.60078024410823 15.999 > 8 *17 F 0.66524616889164 0.37451331087360 0.41259643487031 18.998 > 9 18 F 0.66524616889164 0.37451331087360 0.91259643487031 18.998 > 9 19 F 0.83475383110836 0.62548668912640 0.16259643487031 18.998 > 10 20 F 0.83475383110836 0.62548668912640 0.66259643487031 18.998 > 10 21 F 0.16524616889165 0.12548668912640 0.33740356512969 18.998 > 11 22 F 0.16524616889165 0.12548668912640 0.83740356512969 18.998 > 11 23 F 0.33475383110836 0.87451331087360 0.08740356512969 18.998 > 12 24 F 0.33475383110836 0.87451331087360 0.58740356512969 18.998 > 12 25 F 0.66524616889164 0.12548668912640 0.41259643487031 18.998 > 13 26 F 0.66524616889164 0.12548668912640 0.91259643487031 18.998 > 13 *27 F 0.60907352799018 0.75000000000000 0.07100020337551 18.998 > 14 28 F 0.60907352799018 0.75000000000000 0.57100020337551 18.998 > 14 29 F 0.83475383110836 0.87451331087360 0.16259643487031 18.998 > 15 30 F 0.83475383110836 0.87451331087360 0.66259643487031 18.998 > 15 31 F 0.16524616889165 0.37451331087360 0.33740356512969 18.998 > 16 32 F 0.16524616889165 0.37451331087360 0.83740356512969 18.998 > 16 33 F 0.33475383110836 0.62548668912640 0.08740356512969 18.998 > 17 34 F 0.33475383110836 0.62548668912640 0.58740356512969 18.998 > 17 35 F 0.39092647200982 0.25000000000000 0.42899979662449 18.998 > 18 36 F 0.39092647200982 0.25000000000000 0.92899979662449 18.998 > 18 37 F 0.10907352799018 0.75000000000000 0.17899979662449 18.998 > 19 38 F 0.10907352799018 0.75000000000000 0.67899979662449 18.998 > 19 39 F 0.89092647200982 0.25000000000000 0.32100020337551 18.998 > 20 40 F 0.89092647200982 0.25000000000000 0.82100020337551 18.998 > 20 *41 F 0.11937024990818 0.48567405549038 0.14308465913751 18.998 > 21 42 F 0.11937024990818 0.48567405549038 0.64308465913751 18.998 > 21 43 F 0.38062975009182 0.51432594450962 0.39308465913751 18.998 > 22 44 F 0.38062975009182 0.51432594450962 0.89308465913751 18.998 > 22 45 F 0.61937024990818 0.01432594450962 0.10691534086249 18.998 > 23 46 F 0.61937024990818 0.01432594450962 0.60691534086249 18.998 > 23 47 F 0.88062975009182 0.98567405549038 0.35691534086249 18.998 > 24 48 F 0.88062975009182 0.98567405549038 0.85691534086249 18.998 > 24 49 F 0.88062975009182 0.51432594450962 0.35691534086249 18.998 > 25 50 F 0.88062975009182 0.51432594450962 0.85691534086249 18.998 > 25 51 F 0.61937024990818 0.48567405549038 0.10691534086249 18.998 > 26 52 F 0.61937024990818 0.48567405549038 0.60691534086249 18.998 > 26 53 F 0.38062975009182 0.98567405549038 0.39308465913751 18.998 > 27 54 F 0.38062975009182 0.98567405549038 0.89308465913751 18.998 > 27 55 F 0.11937024990818 0.01432594450962 0.14308465913751 18.998 > 28 56 F 0.11937024990818 0.01432594450962 0.64308465913751 18.998 > 28 *57 Lu 0.17103543977380 0.90268901967347 0.26940835874268 174.967 > 29 58 Lu 0.17103543977380 0.90268901967347 0.76940835874268 174.967 > 29 59 Lu 0.32896456022620 0.09731098032653 0.01940835874268 174.967 > 30 60 Lu 0.32896456022620 0.09731098032653 0.51940835874268 174.967 > 30 61 Lu 0.67103543977380 0.59731098032653 0.48059164125732 174.967 > 31 62 Lu 0.67103543977380 0.59731098032653 0.98059164125732 174.967 > 31 63 Lu 0.82896456022620 0.40268901967347 0.23059164125732 174.967 > 32 64 Lu 0.82896456022620 0.40268901967347 0.73059164125732 174.967 > 32 65 Lu 0.82896456022620 0.09731098032653 0.23059164125732 174.967 > 33 66 Lu 0.82896456022620 0.09731098032653 0.73059164125732 174.967 > 33 67 Lu 0.67103543977380 0.90268901967347 0.48059164125732 174.967 > 34 68 Lu 0.67103543977380 0.90268901967347 0.98059164125732 174.967 > 34 69 Lu 0.32896456022620 0.40268901967347 0.01940835874268 174.967 > 35 70 Lu 0.32896456022620 0.40268901967347 0.51940835874268 174.967 > 35 71 Lu 0.17103543977380 0.59731098032653 0.26940835874268 174.967 > 36 72 Lu 0.17103543977380 0.59731098032653 0.76940835874268 174.967 > 36 *73 Lu 0.23756443412603 0.75000000000000 0.47840073558688 174.967 > 37 74 Lu 0.23756443412603 0.75000000000000 0.97840073558688 174.967 > 37 75 Lu 0.26243556587397 0.25000000000000 0.22840073558688 174.967 > 38 76 Lu 0.26243556587397 0.25000000000000 0.72840073558688 174.967 > 38 77 Lu 0.73756443412603 0.75000000000000 0.27159926441312 174.967 > 39 78 Lu 0.73756443412603 0.75000000000000 0.77159926441312 174.967 > 39 79 Lu 0.76243556587397 0.25000000000000 0.02159926441312 174.967 > 40 80 Lu 0.76243556587397 0.25000000000000 0.52159926441312 174.967 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1728664 0.0000000 0.0000000 0.0000000 3.0153339 0.0000000 0.0000000 0.0000000 3.0020269 -------------------------- Born effective charges -------------------------- 1 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 2 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 3 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 4 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 5 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 6 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 7 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 8 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 9 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 10 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 11 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 12 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 13 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 14 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 15 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 16 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 17 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 18 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 19 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 20 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 21 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 22 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 23 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 24 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 25 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 26 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 27 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 28 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 29 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 30 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 31 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 32 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 33 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 34 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 35 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 36 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 37 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 38 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 39 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 40 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1852), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 404), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.312 Solver_block: 200 / 640 - Time: 0.283 Solver_block: 300 / 640 - Time: 0.283 Solver_block: 400 / 640 - Time: 0.279 Solver_block: 500 / 640 - Time: 0.282 Solver_block: 600 / 640 - Time: 0.280 Solver_block: 640 / 640 - Time: 0.144 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.904 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1852), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 404), 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 03:36:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:07]------------------------- Compiled with OpenMP support (max 48 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.181315860000000 Atomic positions (fractional): 1 O 0.46039937212385 0.66866916909440 0.70156048821646 15.999 2 O 0.03960062787615 0.16866916909440 0.20156048821646 15.999 3 O 0.46039937212385 0.83133083090560 0.70156048821646 15.999 4 O 0.53960062787615 0.33133083090560 0.29843951178354 15.999 5 O 0.96039937212385 0.66866916909440 0.79843951178354 15.999 6 O 0.96039937212385 0.83133083090560 0.79843951178354 15.999 7 O 0.53960062787615 0.16866916909440 0.29843951178354 15.999 8 O 0.03960062787615 0.33133083090560 0.20156048821646 15.999 9 F 0.66524616889164 0.37451331087360 0.82519286974063 18.998 10 F 0.83475383110836 0.62548668912640 0.32519286974063 18.998 11 F 0.16524616889165 0.12548668912640 0.67480713025937 18.998 12 F 0.33475383110836 0.87451331087360 0.17480713025937 18.998 13 F 0.66524616889164 0.12548668912640 0.82519286974063 18.998 14 F 0.60907352799018 0.75000000000000 0.14200040675103 18.998 15 F 0.83475383110836 0.87451331087360 0.32519286974063 18.998 16 F 0.16524616889165 0.37451331087360 0.67480713025937 18.998 17 F 0.33475383110836 0.62548668912640 0.17480713025937 18.998 18 F 0.39092647200982 0.25000000000000 0.85799959324897 18.998 19 F 0.10907352799018 0.75000000000000 0.35799959324897 18.998 20 F 0.89092647200982 0.25000000000000 0.64200040675103 18.998 21 F 0.11937024990818 0.48567405549038 0.28616931827503 18.998 22 F 0.38062975009182 0.51432594450962 0.78616931827503 18.998 23 F 0.61937024990818 0.01432594450962 0.21383068172497 18.998 24 F 0.88062975009182 0.98567405549038 0.71383068172497 18.998 25 F 0.88062975009182 0.51432594450962 0.71383068172497 18.998 26 F 0.61937024990818 0.48567405549038 0.21383068172497 18.998 27 F 0.38062975009182 0.98567405549038 0.78616931827503 18.998 28 F 0.11937024990818 0.01432594450962 0.28616931827503 18.998 29 Lu 0.17103543977380 0.90268901967347 0.53881671748536 174.967 30 Lu 0.32896456022620 0.09731098032653 0.03881671748536 174.967 31 Lu 0.67103543977380 0.59731098032653 0.96118328251464 174.967 32 Lu 0.82896456022620 0.40268901967347 0.46118328251464 174.967 33 Lu 0.82896456022620 0.09731098032653 0.46118328251464 174.967 34 Lu 0.67103543977380 0.90268901967347 0.96118328251464 174.967 35 Lu 0.32896456022620 0.40268901967347 0.03881671748536 174.967 36 Lu 0.17103543977380 0.59731098032653 0.53881671748536 174.967 37 Lu 0.23756443412603 0.75000000000000 0.95680147117375 174.967 38 Lu 0.26243556587397 0.25000000000000 0.45680147117376 174.967 39 Lu 0.73756443412603 0.75000000000000 0.54319852882625 174.967 40 Lu 0.76243556587397 0.25000000000000 0.04319852882625 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.362631720000000 Atomic positions (fractional): 1 O 0.46039937212385 0.66866916909440 0.35078024410823 15.999 > 1 2 O 0.46039937212385 0.66866916909440 0.85078024410823 15.999 > 1 3 O 0.03960062787615 0.16866916909440 0.10078024410823 15.999 > 3 4 O 0.03960062787615 0.16866916909440 0.60078024410823 15.999 > 3 5 O 0.46039937212385 0.83133083090560 0.35078024410823 15.999 > 5 6 O 0.46039937212385 0.83133083090560 0.85078024410823 15.999 > 5 7 O 0.53960062787615 0.33133083090560 0.14921975589177 15.999 > 7 8 O 0.53960062787615 0.33133083090560 0.64921975589177 15.999 > 7 9 O 0.96039937212385 0.66866916909440 0.39921975589177 15.999 > 9 10 O 0.96039937212385 0.66866916909440 0.89921975589177 15.999 > 9 11 O 0.96039937212385 0.83133083090560 0.39921975589177 15.999 > 11 12 O 0.96039937212385 0.83133083090560 0.89921975589177 15.999 > 11 13 O 0.53960062787615 0.16866916909440 0.14921975589177 15.999 > 13 14 O 0.53960062787615 0.16866916909440 0.64921975589177 15.999 > 13 15 O 0.03960062787615 0.33133083090560 0.10078024410823 15.999 > 15 16 O 0.03960062787615 0.33133083090560 0.60078024410823 15.999 > 15 17 F 0.66524616889164 0.37451331087360 0.41259643487031 18.998 > 17 18 F 0.66524616889164 0.37451331087360 0.91259643487031 18.998 > 17 19 F 0.83475383110836 0.62548668912640 0.16259643487031 18.998 > 19 20 F 0.83475383110836 0.62548668912640 0.66259643487031 18.998 > 19 21 F 0.16524616889165 0.12548668912640 0.33740356512969 18.998 > 21 22 F 0.16524616889165 0.12548668912640 0.83740356512969 18.998 > 21 23 F 0.33475383110836 0.87451331087360 0.08740356512969 18.998 > 23 24 F 0.33475383110836 0.87451331087360 0.58740356512969 18.998 > 23 25 F 0.66524616889164 0.12548668912640 0.41259643487031 18.998 > 25 26 F 0.66524616889164 0.12548668912640 0.91259643487031 18.998 > 25 27 F 0.60907352799018 0.75000000000000 0.07100020337551 18.998 > 27 28 F 0.60907352799018 0.75000000000000 0.57100020337551 18.998 > 27 29 F 0.83475383110836 0.87451331087360 0.16259643487031 18.998 > 29 30 F 0.83475383110836 0.87451331087360 0.66259643487031 18.998 > 29 31 F 0.16524616889165 0.37451331087360 0.33740356512969 18.998 > 31 32 F 0.16524616889165 0.37451331087360 0.83740356512969 18.998 > 31 33 F 0.33475383110836 0.62548668912640 0.08740356512969 18.998 > 33 34 F 0.33475383110836 0.62548668912640 0.58740356512969 18.998 > 33 35 F 0.39092647200982 0.25000000000000 0.42899979662449 18.998 > 35 36 F 0.39092647200982 0.25000000000000 0.92899979662449 18.998 > 35 37 F 0.10907352799018 0.75000000000000 0.17899979662449 18.998 > 37 38 F 0.10907352799018 0.75000000000000 0.67899979662449 18.998 > 37 39 F 0.89092647200982 0.25000000000000 0.32100020337551 18.998 > 39 40 F 0.89092647200982 0.25000000000000 0.82100020337551 18.998 > 39 41 F 0.11937024990818 0.48567405549038 0.14308465913751 18.998 > 41 42 F 0.11937024990818 0.48567405549038 0.64308465913751 18.998 > 41 43 F 0.38062975009182 0.51432594450962 0.39308465913751 18.998 > 43 44 F 0.38062975009182 0.51432594450962 0.89308465913751 18.998 > 43 45 F 0.61937024990818 0.01432594450962 0.10691534086249 18.998 > 45 46 F 0.61937024990818 0.01432594450962 0.60691534086249 18.998 > 45 47 F 0.88062975009182 0.98567405549038 0.35691534086249 18.998 > 47 48 F 0.88062975009182 0.98567405549038 0.85691534086249 18.998 > 47 49 F 0.88062975009182 0.51432594450962 0.35691534086249 18.998 > 49 50 F 0.88062975009182 0.51432594450962 0.85691534086249 18.998 > 49 51 F 0.61937024990818 0.48567405549038 0.10691534086249 18.998 > 51 52 F 0.61937024990818 0.48567405549038 0.60691534086249 18.998 > 51 53 F 0.38062975009182 0.98567405549038 0.39308465913751 18.998 > 53 54 F 0.38062975009182 0.98567405549038 0.89308465913751 18.998 > 53 55 F 0.11937024990818 0.01432594450962 0.14308465913751 18.998 > 55 56 F 0.11937024990818 0.01432594450962 0.64308465913751 18.998 > 55 57 Lu 0.17103543977380 0.90268901967347 0.26940835874268 174.967 > 57 58 Lu 0.17103543977380 0.90268901967347 0.76940835874268 174.967 > 57 59 Lu 0.32896456022620 0.09731098032653 0.01940835874268 174.967 > 59 60 Lu 0.32896456022620 0.09731098032653 0.51940835874268 174.967 > 59 61 Lu 0.67103543977380 0.59731098032653 0.48059164125732 174.967 > 61 62 Lu 0.67103543977380 0.59731098032653 0.98059164125732 174.967 > 61 63 Lu 0.82896456022620 0.40268901967347 0.23059164125732 174.967 > 63 64 Lu 0.82896456022620 0.40268901967347 0.73059164125732 174.967 > 63 65 Lu 0.82896456022620 0.09731098032653 0.23059164125732 174.967 > 65 66 Lu 0.82896456022620 0.09731098032653 0.73059164125732 174.967 > 65 67 Lu 0.67103543977380 0.90268901967347 0.48059164125732 174.967 > 67 68 Lu 0.67103543977380 0.90268901967347 0.98059164125732 174.967 > 67 69 Lu 0.32896456022620 0.40268901967347 0.01940835874268 174.967 > 69 70 Lu 0.32896456022620 0.40268901967347 0.51940835874268 174.967 > 69 71 Lu 0.17103543977380 0.59731098032653 0.26940835874268 174.967 > 71 72 Lu 0.17103543977380 0.59731098032653 0.76940835874268 174.967 > 71 73 Lu 0.23756443412603 0.75000000000000 0.47840073558688 174.967 > 73 74 Lu 0.23756443412603 0.75000000000000 0.97840073558688 174.967 > 73 75 Lu 0.26243556587397 0.25000000000000 0.22840073558688 174.967 > 75 76 Lu 0.26243556587397 0.25000000000000 0.72840073558688 174.967 > 75 77 Lu 0.73756443412603 0.75000000000000 0.27159926441312 174.967 > 77 78 Lu 0.73756443412603 0.75000000000000 0.77159926441312 174.967 > 77 79 Lu 0.76243556587397 0.25000000000000 0.02159926441312 174.967 > 79 80 Lu 0.76243556587397 0.25000000000000 0.52159926441312 174.967 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1728664 0.0000000 0.0000000 0.0000000 3.0153339 0.0000000 0.0000000 0.0000000 3.0020269 -------------------------- Born effective charges -------------------------- 1 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 2 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 3 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 4 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 5 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 6 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 7 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 8 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 9 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 10 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 11 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 12 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 13 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 14 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 15 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 16 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 17 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 18 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 19 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 20 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 21 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 22 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 23 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 24 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 25 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 26 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 27 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 28 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 29 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 30 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 31 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 32 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 33 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 34 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 35 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 36 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 37 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 38 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 39 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 40 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:21]------------------------- Compiled with OpenMP support (max 48 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.181315860000000 Atomic positions (fractional): 1 O 0.46039937212385 0.66866916909440 0.70156048821646 15.999 2 O 0.03960062787615 0.16866916909440 0.20156048821646 15.999 3 O 0.46039937212385 0.83133083090560 0.70156048821646 15.999 4 O 0.53960062787615 0.33133083090560 0.29843951178354 15.999 5 O 0.96039937212385 0.66866916909440 0.79843951178354 15.999 6 O 0.96039937212385 0.83133083090560 0.79843951178354 15.999 7 O 0.53960062787615 0.16866916909440 0.29843951178354 15.999 8 O 0.03960062787615 0.33133083090560 0.20156048821646 15.999 9 F 0.66524616889164 0.37451331087360 0.82519286974063 18.998 10 F 0.83475383110836 0.62548668912640 0.32519286974063 18.998 11 F 0.16524616889165 0.12548668912640 0.67480713025937 18.998 12 F 0.33475383110836 0.87451331087360 0.17480713025937 18.998 13 F 0.66524616889164 0.12548668912640 0.82519286974063 18.998 14 F 0.60907352799018 0.75000000000000 0.14200040675103 18.998 15 F 0.83475383110836 0.87451331087360 0.32519286974063 18.998 16 F 0.16524616889165 0.37451331087360 0.67480713025937 18.998 17 F 0.33475383110836 0.62548668912640 0.17480713025937 18.998 18 F 0.39092647200982 0.25000000000000 0.85799959324897 18.998 19 F 0.10907352799018 0.75000000000000 0.35799959324897 18.998 20 F 0.89092647200982 0.25000000000000 0.64200040675103 18.998 21 F 0.11937024990818 0.48567405549038 0.28616931827503 18.998 22 F 0.38062975009182 0.51432594450962 0.78616931827503 18.998 23 F 0.61937024990818 0.01432594450962 0.21383068172497 18.998 24 F 0.88062975009182 0.98567405549038 0.71383068172497 18.998 25 F 0.88062975009182 0.51432594450962 0.71383068172497 18.998 26 F 0.61937024990818 0.48567405549038 0.21383068172497 18.998 27 F 0.38062975009182 0.98567405549038 0.78616931827503 18.998 28 F 0.11937024990818 0.01432594450962 0.28616931827503 18.998 29 Lu 0.17103543977380 0.90268901967347 0.53881671748536 174.967 30 Lu 0.32896456022620 0.09731098032653 0.03881671748536 174.967 31 Lu 0.67103543977380 0.59731098032653 0.96118328251464 174.967 32 Lu 0.82896456022620 0.40268901967347 0.46118328251464 174.967 33 Lu 0.82896456022620 0.09731098032653 0.46118328251464 174.967 34 Lu 0.67103543977380 0.90268901967347 0.96118328251464 174.967 35 Lu 0.32896456022620 0.40268901967347 0.03881671748536 174.967 36 Lu 0.17103543977380 0.59731098032653 0.53881671748536 174.967 37 Lu 0.23756443412603 0.75000000000000 0.95680147117375 174.967 38 Lu 0.26243556587397 0.25000000000000 0.45680147117376 174.967 39 Lu 0.73756443412603 0.75000000000000 0.54319852882625 174.967 40 Lu 0.76243556587397 0.25000000000000 0.04319852882625 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.449080400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.644958970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.362631720000000 Atomic positions (fractional): 1 O 0.46039937212385 0.66866916909440 0.35078024410823 15.999 > 1 2 O 0.46039937212385 0.66866916909440 0.85078024410823 15.999 > 1 3 O 0.03960062787615 0.16866916909440 0.10078024410823 15.999 > 3 4 O 0.03960062787615 0.16866916909440 0.60078024410823 15.999 > 3 5 O 0.46039937212385 0.83133083090560 0.35078024410823 15.999 > 5 6 O 0.46039937212385 0.83133083090560 0.85078024410823 15.999 > 5 7 O 0.53960062787615 0.33133083090560 0.14921975589177 15.999 > 7 8 O 0.53960062787615 0.33133083090560 0.64921975589177 15.999 > 7 9 O 0.96039937212385 0.66866916909440 0.39921975589177 15.999 > 9 10 O 0.96039937212385 0.66866916909440 0.89921975589177 15.999 > 9 11 O 0.96039937212385 0.83133083090560 0.39921975589177 15.999 > 11 12 O 0.96039937212385 0.83133083090560 0.89921975589177 15.999 > 11 13 O 0.53960062787615 0.16866916909440 0.14921975589177 15.999 > 13 14 O 0.53960062787615 0.16866916909440 0.64921975589177 15.999 > 13 15 O 0.03960062787615 0.33133083090560 0.10078024410823 15.999 > 15 16 O 0.03960062787615 0.33133083090560 0.60078024410823 15.999 > 15 17 F 0.66524616889164 0.37451331087360 0.41259643487031 18.998 > 17 18 F 0.66524616889164 0.37451331087360 0.91259643487031 18.998 > 17 19 F 0.83475383110836 0.62548668912640 0.16259643487031 18.998 > 19 20 F 0.83475383110836 0.62548668912640 0.66259643487031 18.998 > 19 21 F 0.16524616889165 0.12548668912640 0.33740356512969 18.998 > 21 22 F 0.16524616889165 0.12548668912640 0.83740356512969 18.998 > 21 23 F 0.33475383110836 0.87451331087360 0.08740356512969 18.998 > 23 24 F 0.33475383110836 0.87451331087360 0.58740356512969 18.998 > 23 25 F 0.66524616889164 0.12548668912640 0.41259643487031 18.998 > 25 26 F 0.66524616889164 0.12548668912640 0.91259643487031 18.998 > 25 27 F 0.60907352799018 0.75000000000000 0.07100020337551 18.998 > 27 28 F 0.60907352799018 0.75000000000000 0.57100020337551 18.998 > 27 29 F 0.83475383110836 0.87451331087360 0.16259643487031 18.998 > 29 30 F 0.83475383110836 0.87451331087360 0.66259643487031 18.998 > 29 31 F 0.16524616889165 0.37451331087360 0.33740356512969 18.998 > 31 32 F 0.16524616889165 0.37451331087360 0.83740356512969 18.998 > 31 33 F 0.33475383110836 0.62548668912640 0.08740356512969 18.998 > 33 34 F 0.33475383110836 0.62548668912640 0.58740356512969 18.998 > 33 35 F 0.39092647200982 0.25000000000000 0.42899979662449 18.998 > 35 36 F 0.39092647200982 0.25000000000000 0.92899979662449 18.998 > 35 37 F 0.10907352799018 0.75000000000000 0.17899979662449 18.998 > 37 38 F 0.10907352799018 0.75000000000000 0.67899979662449 18.998 > 37 39 F 0.89092647200982 0.25000000000000 0.32100020337551 18.998 > 39 40 F 0.89092647200982 0.25000000000000 0.82100020337551 18.998 > 39 41 F 0.11937024990818 0.48567405549038 0.14308465913751 18.998 > 41 42 F 0.11937024990818 0.48567405549038 0.64308465913751 18.998 > 41 43 F 0.38062975009182 0.51432594450962 0.39308465913751 18.998 > 43 44 F 0.38062975009182 0.51432594450962 0.89308465913751 18.998 > 43 45 F 0.61937024990818 0.01432594450962 0.10691534086249 18.998 > 45 46 F 0.61937024990818 0.01432594450962 0.60691534086249 18.998 > 45 47 F 0.88062975009182 0.98567405549038 0.35691534086249 18.998 > 47 48 F 0.88062975009182 0.98567405549038 0.85691534086249 18.998 > 47 49 F 0.88062975009182 0.51432594450962 0.35691534086249 18.998 > 49 50 F 0.88062975009182 0.51432594450962 0.85691534086249 18.998 > 49 51 F 0.61937024990818 0.48567405549038 0.10691534086249 18.998 > 51 52 F 0.61937024990818 0.48567405549038 0.60691534086249 18.998 > 51 53 F 0.38062975009182 0.98567405549038 0.39308465913751 18.998 > 53 54 F 0.38062975009182 0.98567405549038 0.89308465913751 18.998 > 53 55 F 0.11937024990818 0.01432594450962 0.14308465913751 18.998 > 55 56 F 0.11937024990818 0.01432594450962 0.64308465913751 18.998 > 55 57 Lu 0.17103543977380 0.90268901967347 0.26940835874268 174.967 > 57 58 Lu 0.17103543977380 0.90268901967347 0.76940835874268 174.967 > 57 59 Lu 0.32896456022620 0.09731098032653 0.01940835874268 174.967 > 59 60 Lu 0.32896456022620 0.09731098032653 0.51940835874268 174.967 > 59 61 Lu 0.67103543977380 0.59731098032653 0.48059164125732 174.967 > 61 62 Lu 0.67103543977380 0.59731098032653 0.98059164125732 174.967 > 61 63 Lu 0.82896456022620 0.40268901967347 0.23059164125732 174.967 > 63 64 Lu 0.82896456022620 0.40268901967347 0.73059164125732 174.967 > 63 65 Lu 0.82896456022620 0.09731098032653 0.23059164125732 174.967 > 65 66 Lu 0.82896456022620 0.09731098032653 0.73059164125732 174.967 > 65 67 Lu 0.67103543977380 0.90268901967347 0.48059164125732 174.967 > 67 68 Lu 0.67103543977380 0.90268901967347 0.98059164125732 174.967 > 67 69 Lu 0.32896456022620 0.40268901967347 0.01940835874268 174.967 > 69 70 Lu 0.32896456022620 0.40268901967347 0.51940835874268 174.967 > 69 71 Lu 0.17103543977380 0.59731098032653 0.26940835874268 174.967 > 71 72 Lu 0.17103543977380 0.59731098032653 0.76940835874268 174.967 > 71 73 Lu 0.23756443412603 0.75000000000000 0.47840073558688 174.967 > 73 74 Lu 0.23756443412603 0.75000000000000 0.97840073558688 174.967 > 73 75 Lu 0.26243556587397 0.25000000000000 0.22840073558688 174.967 > 75 76 Lu 0.26243556587397 0.25000000000000 0.72840073558688 174.967 > 75 77 Lu 0.73756443412603 0.75000000000000 0.27159926441312 174.967 > 77 78 Lu 0.73756443412603 0.75000000000000 0.77159926441312 174.967 > 77 79 Lu 0.76243556587397 0.25000000000000 0.02159926441312 174.967 > 79 80 Lu 0.76243556587397 0.25000000000000 0.52159926441312 174.967 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1728664 0.0000000 0.0000000 0.0000000 3.0153339 0.0000000 0.0000000 0.0000000 3.0020269 -------------------------- Born effective charges -------------------------- 1 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 2 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 3 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 4 O -2.5759517 -0.1791173 -0.1276220 -0.1874718 -2.0546239 0.0592389 -0.1704597 0.0477658 -1.7829495 5 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 6 O -2.5759517 0.1791173 0.1276220 0.1874718 -2.0546239 0.0592389 0.1704597 0.0477658 -1.7829495 7 O -2.5759517 0.1791173 -0.1276220 0.1874718 -2.0546239 -0.0592389 -0.1704597 -0.0477658 -1.7829495 8 O -2.5759517 -0.1791173 0.1276220 -0.1874718 -2.0546239 -0.0592389 0.1704597 -0.0477658 -1.7829495 9 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 10 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 11 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 12 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 13 F -1.2950690 -0.1136910 0.4745130 -0.0828001 -0.9916804 -0.1913168 0.4677880 -0.2259427 -1.6576315 14 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 15 F -1.2950690 -0.1136910 -0.4745130 -0.0828001 -0.9916804 0.1913168 -0.4677880 0.2259427 -1.6576315 16 F -1.2950690 0.1136910 -0.4745130 0.0828001 -0.9916804 -0.1913168 -0.4677880 -0.2259427 -1.6576315 17 F -1.2950690 0.1136910 0.4745130 0.0828001 -0.9916804 0.1913168 0.4677880 0.2259427 -1.6576315 18 F -1.2995780 0.0000000 -0.4358182 0.0000000 -0.9886408 0.0000000 -0.3543786 0.0000000 -1.6520486 19 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 20 F -1.2995780 0.0000000 0.4358182 0.0000000 -0.9886408 0.0000000 0.3543786 0.0000000 -1.6520486 21 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 22 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 23 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 24 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 25 F -1.1105862 -0.0456355 0.3132279 -0.0716093 -1.6875022 -0.4056185 0.2381494 -0.3438084 -1.1045710 26 F -1.1105862 -0.0456355 -0.3132279 -0.0716093 -1.6875022 0.4056185 -0.2381494 0.3438084 -1.1045710 27 F -1.1105862 0.0456355 -0.3132279 0.0716093 -1.6875022 -0.4056185 -0.2381494 -0.3438084 -1.1045710 28 F -1.1105862 0.0456355 0.3132279 0.0716093 -1.6875022 0.4056185 0.2381494 0.3438084 -1.1045710 29 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 30 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 31 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 32 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 33 Lu 3.7499640 -0.0602873 0.0150321 -0.1003561 3.5929276 -0.3059743 0.2403300 -0.2066750 3.6542063 34 Lu 3.7499640 -0.0602873 -0.0150321 -0.1003561 3.5929276 0.3059743 -0.2403300 0.2066750 3.6542063 35 Lu 3.7499640 0.0602873 -0.0150321 0.1003561 3.5929276 -0.3059743 -0.2403300 -0.2066750 3.6542063 36 Lu 3.7499640 0.0602873 0.0150321 0.1003561 3.5929276 0.3059743 0.2403300 0.2066750 3.6542063 37 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 38 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 39 Lu 3.7628638 0.0000000 -0.0186602 0.0000000 3.2703986 0.0000000 -0.2551926 0.0000000 3.4339401 40 Lu 3.7628638 0.0000000 0.0186602 0.0000000 3.2703986 0.0000000 0.2551926 0.0000000 3.4339401 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 3 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 289, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 9.069 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.688 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.817 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 0.000) 0.000 14.789 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 0.000) 0.000 16.356 ( 0.000 0.000 0.000) 0.000 16.571 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 17.927 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 0.000 0.000) 0.000 18.336 ( 0.000 0.000 0.000) 0.000 18.512 ( 0.000 0.000 0.000) 0.000 18.594 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 23.849 0.000 0.000) 23.849 0.551 ( 26.965 0.000 0.000) 26.965 0.951 ( 45.861 0.000 0.000) 45.861 1.226 ( 15.955 0.000 0.000) 15.955 1.486 ( 18.738 0.000 0.000) 18.738 1.543 ( 8.935 0.000 0.000) 8.935 1.931 ( 3.587 0.000 0.000) 3.587 1.935 ( -3.181 0.000 0.000) 3.181 2.287 ( -6.680 0.000 0.000) 6.680 2.522 ( 16.311 0.000 0.000) 16.311 2.757 ( 8.272 0.000 0.000) 8.272 2.915 ( 0.112 0.000 0.000) 0.112 2.927 ( 22.288 0.000 0.000) 22.288 2.950 ( 1.060 0.000 0.000) 1.060 3.070 ( 6.546 0.000 0.000) 6.546 3.076 ( 4.600 0.000 0.000) 4.600 3.467 ( 6.160 0.000 0.000) 6.160 3.528 ( 10.524 0.000 0.000) 10.524 3.780 ( -8.618 0.000 0.000) 8.618 3.826 ( -0.200 0.000 0.000) 0.200 3.996 ( -2.142 0.000 0.000) 2.142 3.997 ( 0.379 0.000 0.000) 0.379 4.034 ( 0.001 0.000 0.000) 0.001 4.075 ( 2.049 0.000 0.000) 2.049 4.136 ( 1.915 0.000 0.000) 1.915 4.160 ( -0.653 0.000 0.000) 0.653 4.231 ( -3.208 0.000 0.000) 3.208 4.243 ( -8.258 0.000 0.000) 8.258 4.389 ( 10.598 0.000 0.000) 10.598 4.450 ( 3.109 0.000 0.000) 3.109 4.524 ( 2.630 0.000 0.000) 2.630 4.714 ( 8.313 0.000 0.000) 8.313 4.737 ( -2.279 0.000 0.000) 2.279 4.993 ( -7.785 0.000 0.000) 7.785 5.169 ( 0.271 0.000 0.000) 0.271 5.280 ( 0.779 0.000 0.000) 0.779 5.565 ( -4.635 0.000 0.000) 4.635 5.653 ( 3.654 0.000 0.000) 3.654 5.718 ( -0.080 0.000 0.000) 0.080 5.764 ( -2.826 0.000 0.000) 2.826 5.771 ( 3.879 0.000 0.000) 3.879 5.967 ( -7.973 0.000 0.000) 7.973 5.999 ( -2.704 0.000 0.000) 2.704 6.055 ( 1.022 0.000 0.000) 1.022 6.061 ( -4.403 0.000 0.000) 4.403 6.154 ( -2.631 0.000 0.000) 2.631 6.182 ( -0.859 0.000 0.000) 0.859 6.235 ( -4.746 0.000 0.000) 4.746 6.512 ( -1.744 0.000 0.000) 1.744 6.619 ( 3.622 0.000 0.000) 3.622 6.814 ( -5.954 0.000 0.000) 5.954 6.821 ( 7.966 0.000 0.000) 7.966 6.907 ( -1.797 0.000 0.000) 1.797 7.031 ( 0.305 0.000 0.000) 0.305 7.088 ( -3.534 0.000 0.000) 3.534 7.121 ( 5.774 0.000 0.000) 5.774 7.414 ( -2.127 0.000 0.000) 2.127 7.691 ( -9.378 0.000 0.000) 9.378 7.735 ( 5.070 0.000 0.000) 5.070 7.773 ( -3.401 0.000 0.000) 3.401 7.906 ( -4.822 0.000 0.000) 4.822 8.018 ( 5.193 0.000 0.000) 5.193 8.037 ( -2.527 0.000 0.000) 2.527 8.178 ( 1.155 0.000 0.000) 1.155 8.180 ( 2.571 0.000 0.000) 2.571 8.252 ( 6.825 0.000 0.000) 6.825 8.410 ( 10.511 0.000 0.000) 10.511 9.077 ( 0.973 0.000 0.000) 0.973 9.218 ( -7.577 0.000 0.000) 7.577 9.473 ( 6.164 0.000 0.000) 6.164 9.573 ( 2.088 0.000 0.000) 2.088 9.814 ( -0.627 0.000 0.000) 0.627 9.947 ( -7.424 0.000 0.000) 7.424 9.965 ( -5.330 0.000 0.000) 5.330 10.055 ( -0.851 0.000 0.000) 0.851 10.127 ( -4.840 0.000 0.000) 4.840 10.206 ( 0.400 0.000 0.000) 0.400 10.239 ( 1.759 0.000 0.000) 1.759 10.271 ( -6.581 0.000 0.000) 6.581 10.382 ( -3.586 0.000 0.000) 3.586 10.711 ( 0.804 0.000 0.000) 0.804 10.731 ( 11.117 0.000 0.000) 11.117 10.936 ( 6.508 0.000 0.000) 6.508 11.226 ( 19.227 0.000 0.000) 19.227 11.513 ( -0.385 0.000 0.000) 0.385 11.523 ( -2.287 0.000 0.000) 2.287 11.607 ( -2.737 0.000 0.000) 2.737 11.677 ( -2.142 0.000 0.000) 2.142 11.717 ( 3.011 0.000 0.000) 3.011 11.766 ( -3.461 0.000 0.000) 3.461 11.898 ( -3.299 0.000 0.000) 3.299 11.933 ( 0.566 0.000 0.000) 0.566 12.110 ( 6.792 0.000 0.000) 6.792 12.628 ( 4.216 0.000 0.000) 4.216 12.682 ( -12.804 0.000 0.000) 12.804 12.718 ( 3.655 0.000 0.000) 3.655 12.878 ( 1.673 0.000 0.000) 1.673 12.970 ( -2.137 0.000 0.000) 2.137 13.114 ( -1.315 0.000 0.000) 1.315 13.204 ( 1.231 0.000 0.000) 1.231 13.559 ( 9.645 0.000 0.000) 9.645 13.833 ( -7.006 0.000 0.000) 7.006 13.930 ( 11.463 0.000 0.000) 11.463 14.048 ( 15.548 0.000 0.000) 15.548 14.803 ( 1.191 0.000 0.000) 1.191 14.902 ( 1.045 0.000 0.000) 1.045 14.950 ( 38.756 0.000 0.000) 38.756 15.055 ( -1.688 0.000 0.000) 1.688 15.161 ( -1.302 0.000 0.000) 1.302 16.287 ( -6.579 0.000 0.000) 6.579 16.536 ( -3.131 0.000 0.000) 3.131 16.601 ( -2.487 0.000 0.000) 2.487 17.121 ( -4.735 0.000 0.000) 4.735 17.428 ( -24.516 0.000 0.000) 24.516 17.716 ( -9.342 0.000 0.000) 9.342 17.831 ( -9.370 0.000 0.000) 9.370 18.280 ( -5.398 0.000 0.000) 5.398 18.456 ( -5.425 0.000 0.000) 5.425 18.538 ( -5.331 0.000 0.000) 5.331 18.803 ( -8.168 0.000 0.000) 8.168 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 20.890 0.000 0.000) 20.890 1.096 ( 26.310 0.000 0.000) 26.310 1.619 ( 19.673 0.000 0.000) 19.673 1.799 ( 15.755 0.000 0.000) 15.755 1.825 ( 28.266 0.000 0.000) 28.266 1.878 ( 28.619 0.000 0.000) 28.619 1.879 ( -0.466 0.000 0.000) 0.466 2.059 ( 8.775 0.000 0.000) 8.775 2.238 ( 2.409 0.000 0.000) 2.409 2.904 ( -1.395 0.000 0.000) 1.395 2.941 ( 22.656 0.000 0.000) 22.656 2.986 ( 1.987 0.000 0.000) 1.987 3.000 ( 13.888 0.000 0.000) 13.888 3.191 ( 3.828 0.000 0.000) 3.828 3.203 ( 7.423 0.000 0.000) 7.423 3.358 ( 12.992 0.000 0.000) 12.992 3.594 ( -1.567 0.000 0.000) 1.567 3.667 ( 4.790 0.000 0.000) 4.790 3.692 ( 8.172 0.000 0.000) 8.172 3.867 ( -3.685 0.000 0.000) 3.685 3.932 ( -3.721 0.000 0.000) 3.721 4.001 ( -0.125 0.000 0.000) 0.125 4.025 ( -1.133 0.000 0.000) 1.133 4.076 ( 6.839 0.000 0.000) 6.839 4.131 ( -5.174 0.000 0.000) 5.174 4.143 ( -1.662 0.000 0.000) 1.662 4.148 ( 3.691 0.000 0.000) 3.691 4.189 ( 0.904 0.000 0.000) 0.904 4.514 ( 3.449 0.000 0.000) 3.449 4.610 ( 5.866 0.000 0.000) 5.866 4.673 ( 13.362 0.000 0.000) 13.362 4.709 ( 0.013 0.000 0.000) 0.013 4.843 ( -3.544 0.000 0.000) 3.544 4.962 ( 15.001 0.000 0.000) 15.001 5.170 ( -0.192 0.000 0.000) 0.192 5.311 ( 2.370 0.000 0.000) 2.370 5.411 ( -10.616 0.000 0.000) 10.616 5.690 ( -4.144 0.000 0.000) 4.144 5.692 ( -2.774 0.000 0.000) 2.774 5.703 ( 0.447 0.000 0.000) 0.447 5.818 ( -4.985 0.000 0.000) 4.985 5.839 ( -0.081 0.000 0.000) 0.081 5.936 ( -2.891 0.000 0.000) 2.891 5.947 ( -5.226 0.000 0.000) 5.226 6.053 ( -3.788 0.000 0.000) 3.788 6.117 ( 1.557 0.000 0.000) 1.557 6.135 ( -3.731 0.000 0.000) 3.731 6.137 ( -4.492 0.000 0.000) 4.492 6.468 ( -2.277 0.000 0.000) 2.277 6.686 ( 3.740 0.000 0.000) 3.740 6.711 ( -3.908 0.000 0.000) 3.908 6.877 ( -0.654 0.000 0.000) 0.654 6.984 ( -6.539 0.000 0.000) 6.539 6.988 ( -5.198 0.000 0.000) 5.198 7.005 ( 8.864 0.000 0.000) 8.864 7.208 ( 2.860 0.000 0.000) 2.860 7.351 ( -4.010 0.000 0.000) 4.010 7.496 ( -9.365 0.000 0.000) 9.365 7.676 ( -5.907 0.000 0.000) 5.907 7.776 ( -7.401 0.000 0.000) 7.401 7.885 ( 8.798 0.000 0.000) 8.798 7.992 ( -1.771 0.000 0.000) 1.771 8.165 ( 9.084 0.000 0.000) 9.084 8.203 ( 1.244 0.000 0.000) 1.244 8.229 ( 2.284 0.000 0.000) 2.284 8.431 ( 9.966 0.000 0.000) 9.966 8.646 ( 12.042 0.000 0.000) 12.042 9.052 ( -7.812 0.000 0.000) 7.812 9.109 ( 1.783 0.000 0.000) 1.783 9.611 ( 0.095 0.000 0.000) 0.095 9.614 ( 7.475 0.000 0.000) 7.475 9.788 ( -1.411 0.000 0.000) 1.411 9.790 ( -8.186 0.000 0.000) 8.186 9.792 ( -11.289 0.000 0.000) 11.289 10.021 ( -4.219 0.000 0.000) 4.219 10.040 ( -0.703 0.000 0.000) 0.703 10.152 ( -4.181 0.000 0.000) 4.181 10.234 ( 2.566 0.000 0.000) 2.566 10.300 ( 4.084 0.000 0.000) 4.084 10.323 ( -3.063 0.000 0.000) 3.063 10.773 ( 4.856 0.000 0.000) 4.856 10.974 ( 11.574 0.000 0.000) 11.574 11.067 ( 5.588 0.000 0.000) 5.588 11.455 ( -4.301 0.000 0.000) 4.301 11.488 ( -2.535 0.000 0.000) 2.535 11.529 ( -4.680 0.000 0.000) 4.680 11.532 ( 9.008 0.000 0.000) 9.008 11.629 ( -2.257 0.000 0.000) 2.257 11.684 ( -4.043 0.000 0.000) 4.043 11.807 ( 5.327 0.000 0.000) 5.327 11.808 ( -5.253 0.000 0.000) 5.253 11.941 ( 0.291 0.000 0.000) 0.291 12.283 ( 9.521 0.000 0.000) 9.521 12.446 ( -7.916 0.000 0.000) 7.916 12.729 ( 5.390 0.000 0.000) 5.390 12.835 ( 7.480 0.000 0.000) 7.480 12.907 ( -4.067 0.000 0.000) 4.067 12.925 ( 2.693 0.000 0.000) 2.693 13.070 ( -3.012 0.000 0.000) 3.012 13.235 ( 1.620 0.000 0.000) 1.620 13.797 ( 13.106 0.000 0.000) 13.106 13.847 ( 7.001 0.000 0.000) 7.001 14.276 ( 21.784 0.000 0.000) 21.784 14.466 ( 23.979 0.000 0.000) 23.979 14.823 ( 0.205 0.000 0.000) 0.205 14.913 ( -0.549 0.000 0.000) 0.549 15.014 ( -2.023 0.000 0.000) 2.023 15.130 ( -1.523 0.000 0.000) 1.523 15.678 ( 30.706 0.000 0.000) 30.706 16.107 ( -10.275 0.000 0.000) 10.275 16.462 ( -3.486 0.000 0.000) 3.486 16.542 ( -2.748 0.000 0.000) 2.748 16.827 ( -31.143 0.000 0.000) 31.143 16.993 ( -7.434 0.000 0.000) 7.434 17.436 ( -17.902 0.000 0.000) 17.902 17.554 ( -17.460 0.000 0.000) 17.460 18.126 ( -9.186 0.000 0.000) 9.186 18.300 ( -9.586 0.000 0.000) 9.586 18.391 ( -8.513 0.000 0.000) 8.513 18.580 ( -12.852 0.000 0.000) 12.852 ======================= Grid point 3 (4/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 14.228 0.000 0.000) 14.228 1.612 ( 23.731 0.000 0.000) 23.731 1.750 ( -2.510 0.000 0.000) 2.510 2.084 ( 8.087 0.000 0.000) 8.087 2.155 ( 22.299 0.000 0.000) 22.299 2.167 ( 19.893 0.000 0.000) 19.893 2.278 ( 12.716 0.000 0.000) 12.716 2.393 ( 12.035 0.000 0.000) 12.035 2.625 ( 33.020 0.000 0.000) 33.020 2.865 ( -1.934 0.000 0.000) 1.934 3.007 ( -0.792 0.000 0.000) 0.792 3.171 ( -6.292 0.000 0.000) 6.292 3.218 ( 2.993 0.000 0.000) 2.993 3.243 ( -2.272 0.000 0.000) 2.272 3.358 ( 7.319 0.000 0.000) 7.319 3.428 ( -6.439 0.000 0.000) 6.439 3.482 ( 14.355 0.000 0.000) 14.355 3.544 ( -19.271 0.000 0.000) 19.271 3.877 ( -1.197 0.000 0.000) 1.197 3.960 ( -10.374 0.000 0.000) 10.374 3.969 ( 10.427 0.000 0.000) 10.427 3.985 ( -2.597 0.000 0.000) 2.597 3.990 ( -1.161 0.000 0.000) 1.161 4.038 ( 21.920 0.000 0.000) 21.920 4.077 ( -3.931 0.000 0.000) 3.931 4.210 ( 3.797 0.000 0.000) 3.797 4.265 ( 5.971 0.000 0.000) 5.971 4.487 ( 23.734 0.000 0.000) 23.734 4.631 ( 9.780 0.000 0.000) 9.780 4.675 ( -2.853 0.000 0.000) 2.853 4.731 ( 1.424 0.000 0.000) 1.424 4.765 ( 9.298 0.000 0.000) 9.298 5.067 ( 14.341 0.000 0.000) 14.341 5.132 ( -10.402 0.000 0.000) 10.402 5.200 ( -1.836 0.000 0.000) 1.836 5.238 ( 7.926 0.000 0.000) 7.926 5.374 ( 3.236 0.000 0.000) 3.236 5.603 ( -5.741 0.000 0.000) 5.741 5.639 ( 2.204 0.000 0.000) 2.204 5.647 ( -5.962 0.000 0.000) 5.962 5.666 ( -13.669 0.000 0.000) 13.669 5.778 ( 0.719 0.000 0.000) 0.719 5.861 ( -7.923 0.000 0.000) 7.923 5.926 ( 2.877 0.000 0.000) 2.877 5.933 ( -7.250 0.000 0.000) 7.250 6.060 ( -2.660 0.000 0.000) 2.660 6.072 ( -1.403 0.000 0.000) 1.403 6.180 ( 3.736 0.000 0.000) 3.736 6.423 ( -2.306 0.000 0.000) 2.306 6.657 ( -1.404 0.000 0.000) 1.404 6.792 ( 6.784 0.000 0.000) 6.784 6.809 ( -12.190 0.000 0.000) 12.190 6.834 ( -7.705 0.000 0.000) 7.705 6.899 ( 3.039 0.000 0.000) 3.039 7.167 ( 7.176 0.000 0.000) 7.176 7.252 ( -5.561 0.000 0.000) 5.561 7.255 ( 2.250 0.000 0.000) 2.250 7.314 ( -8.655 0.000 0.000) 8.655 7.544 ( -6.749 0.000 0.000) 6.749 7.616 ( -8.023 0.000 0.000) 8.023 7.970 ( -0.204 0.000 0.000) 0.204 8.032 ( 3.760 0.000 0.000) 3.760 8.244 ( 3.495 0.000 0.000) 3.495 8.273 ( 2.043 0.000 0.000) 2.043 8.385 ( 12.283 0.000 0.000) 12.283 8.636 ( 9.571 0.000 0.000) 9.571 8.879 ( 10.287 0.000 0.000) 10.287 8.937 ( -2.427 0.000 0.000) 2.427 9.129 ( -0.239 0.000 0.000) 0.239 9.499 ( -9.748 0.000 0.000) 9.748 9.524 ( -14.451 0.000 0.000) 14.451 9.614 ( -8.928 0.000 0.000) 8.928 9.767 ( 7.238 0.000 0.000) 7.238 9.821 ( 4.286 0.000 0.000) 4.286 9.988 ( 0.773 0.000 0.000) 0.773 10.022 ( -1.250 0.000 0.000) 1.250 10.069 ( -3.742 0.000 0.000) 3.742 10.244 ( -4.694 0.000 0.000) 4.694 10.334 ( 6.112 0.000 0.000) 6.112 10.394 ( 4.754 0.000 0.000) 4.754 10.898 ( 7.179 0.000 0.000) 7.179 11.138 ( 3.742 0.000 0.000) 3.742 11.206 ( 9.113 0.000 0.000) 9.113 11.350 ( -6.026 0.000 0.000) 6.026 11.405 ( -5.254 0.000 0.000) 5.254 11.431 ( -4.353 0.000 0.000) 4.353 11.572 ( -2.475 0.000 0.000) 2.475 11.585 ( -3.358 0.000 0.000) 3.358 11.608 ( -3.789 0.000 0.000) 3.789 11.699 ( -5.124 0.000 0.000) 5.124 11.908 ( 4.028 0.000 0.000) 4.028 11.949 ( 0.533 0.000 0.000) 0.533 12.394 ( 3.829 0.000 0.000) 3.829 12.500 ( 9.993 0.000 0.000) 9.993 12.806 ( -5.778 0.000 0.000) 5.778 12.844 ( 5.678 0.000 0.000) 5.678 12.976 ( 2.050 0.000 0.000) 2.050 12.989 ( -5.029 0.000 0.000) 5.029 13.000 ( 8.116 0.000 0.000) 8.116 13.259 ( 0.398 0.000 0.000) 0.398 14.062 ( 13.742 0.000 0.000) 13.742 14.090 ( 14.630 0.000 0.000) 14.630 14.763 ( 23.513 0.000 0.000) 23.513 14.786 ( -4.365 0.000 0.000) 4.365 14.851 ( -6.057 0.000 0.000) 6.057 14.947 ( 20.631 0.000 0.000) 20.631 14.989 ( -0.018 0.000 0.000) 0.018 15.113 ( 0.314 0.000 0.000) 0.314 15.916 ( -6.589 0.000 0.000) 6.589 16.174 ( 17.965 0.000 0.000) 17.965 16.286 ( -18.445 0.000 0.000) 18.445 16.422 ( -0.051 0.000 0.000) 0.051 16.511 ( 0.176 0.000 0.000) 0.176 16.833 ( -7.930 0.000 0.000) 7.930 16.998 ( -24.751 0.000 0.000) 24.751 17.136 ( -22.990 0.000 0.000) 22.990 17.934 ( -8.679 0.000 0.000) 8.679 18.083 ( -11.009 0.000 0.000) 11.009 18.217 ( -7.769 0.000 0.000) 7.769 18.317 ( -11.888 0.000 0.000) 11.888 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 8.257 0.000 0.000) 8.257 1.672 ( -4.957 0.000 0.000) 4.957 2.022 ( 14.927 0.000 0.000) 14.927 2.173 ( -0.254 0.000 0.000) 0.254 2.562 ( 13.590 0.000 0.000) 13.590 2.577 ( 16.165 0.000 0.000) 16.165 2.595 ( 21.611 0.000 0.000) 21.611 2.670 ( 13.551 0.000 0.000) 13.551 2.865 ( 3.460 0.000 0.000) 3.460 2.912 ( -9.648 0.000 0.000) 9.648 2.987 ( -8.108 0.000 0.000) 8.108 2.990 ( -11.287 0.000 0.000) 11.287 3.050 ( -13.273 0.000 0.000) 13.273 3.059 ( -11.919 0.000 0.000) 11.919 3.325 ( 14.192 0.000 0.000) 14.192 3.467 ( 3.576 0.000 0.000) 3.576 3.473 ( 3.162 0.000 0.000) 3.162 3.691 ( -16.126 0.000 0.000) 16.126 3.757 ( 9.251 0.000 0.000) 9.251 3.862 ( -1.728 0.000 0.000) 1.728 3.943 ( -0.449 0.000 0.000) 0.449 3.977 ( 0.253 0.000 0.000) 0.253 3.984 ( -3.880 0.000 0.000) 3.880 4.009 ( -2.283 0.000 0.000) 2.283 4.345 ( 4.705 0.000 0.000) 4.705 4.360 ( 2.639 0.000 0.000) 2.639 4.463 ( 18.731 0.000 0.000) 18.731 4.689 ( 3.848 0.000 0.000) 3.848 4.725 ( -3.530 0.000 0.000) 3.530 4.849 ( -14.171 0.000 0.000) 14.171 4.884 ( 18.767 0.000 0.000) 18.767 4.976 ( 10.762 0.000 0.000) 10.762 5.024 ( 23.232 0.000 0.000) 23.232 5.199 ( -8.186 0.000 0.000) 8.186 5.261 ( 4.824 0.000 0.000) 4.824 5.271 ( 5.454 0.000 0.000) 5.454 5.290 ( -17.001 0.000 0.000) 17.001 5.407 ( -10.873 0.000 0.000) 10.873 5.481 ( -5.055 0.000 0.000) 5.055 5.498 ( -6.929 0.000 0.000) 6.929 5.684 ( -3.002 0.000 0.000) 3.002 5.768 ( -6.421 0.000 0.000) 6.421 5.832 ( 4.100 0.000 0.000) 4.100 5.835 ( 11.060 0.000 0.000) 11.060 5.925 ( -4.248 0.000 0.000) 4.248 6.021 ( -5.284 0.000 0.000) 5.284 6.176 ( 14.341 0.000 0.000) 14.341 6.262 ( 4.448 0.000 0.000) 4.448 6.358 ( -4.361 0.000 0.000) 4.361 6.509 ( -16.571 0.000 0.000) 16.571 6.650 ( 0.757 0.000 0.000) 0.757 6.700 ( -4.607 0.000 0.000) 4.607 6.954 ( 8.721 0.000 0.000) 8.721 6.995 ( 6.017 0.000 0.000) 6.017 7.127 ( -6.559 0.000 0.000) 6.559 7.135 ( -8.890 0.000 0.000) 8.890 7.308 ( 6.909 0.000 0.000) 6.909 7.315 ( 3.810 0.000 0.000) 3.810 7.413 ( -5.788 0.000 0.000) 5.788 7.456 ( -7.602 0.000 0.000) 7.602 7.987 ( 1.854 0.000 0.000) 1.854 8.034 ( -2.123 0.000 0.000) 2.123 8.310 ( 1.397 0.000 0.000) 1.397 8.313 ( 1.737 0.000 0.000) 1.737 8.644 ( 11.909 0.000 0.000) 11.909 8.774 ( 1.583 0.000 0.000) 1.583 8.991 ( 7.891 0.000 0.000) 7.891 9.028 ( 3.572 0.000 0.000) 3.572 9.091 ( -3.183 0.000 0.000) 3.183 9.226 ( -14.038 0.000 0.000) 14.038 9.345 ( -1.658 0.000 0.000) 1.658 9.437 ( -7.938 0.000 0.000) 7.938 9.897 ( 5.373 0.000 0.000) 5.373 9.917 ( 4.510 0.000 0.000) 4.510 9.981 ( -2.909 0.000 0.000) 2.909 9.997 ( -3.497 0.000 0.000) 3.497 10.038 ( 3.975 0.000 0.000) 3.975 10.138 ( -5.404 0.000 0.000) 5.404 10.444 ( 3.874 0.000 0.000) 3.874 10.467 ( 1.688 0.000 0.000) 1.688 11.054 ( 7.859 0.000 0.000) 7.859 11.206 ( 3.607 0.000 0.000) 3.607 11.211 ( -7.413 0.000 0.000) 7.413 11.295 ( -5.103 0.000 0.000) 5.103 11.379 ( 7.636 0.000 0.000) 7.636 11.382 ( 0.233 0.000 0.000) 0.233 11.451 ( -6.090 0.000 0.000) 6.090 11.514 ( -5.571 0.000 0.000) 5.571 11.570 ( 0.706 0.000 0.000) 0.706 11.611 ( -3.285 0.000 0.000) 3.285 11.960 ( 1.099 0.000 0.000) 1.099 11.962 ( 0.589 0.000 0.000) 0.589 12.521 ( 7.504 0.000 0.000) 7.504 12.673 ( -7.144 0.000 0.000) 7.144 12.698 ( 9.090 0.000 0.000) 9.090 12.865 ( -7.156 0.000 0.000) 7.156 12.946 ( 3.965 0.000 0.000) 3.965 12.994 ( -0.618 0.000 0.000) 0.618 13.148 ( 6.087 0.000 0.000) 6.087 13.238 ( -2.640 0.000 0.000) 2.640 14.364 ( 15.106 0.000 0.000) 15.106 14.388 ( 14.216 0.000 0.000) 14.216 14.634 ( -10.530 0.000 0.000) 10.530 14.662 ( -12.174 0.000 0.000) 12.174 15.025 ( 3.440 0.000 0.000) 3.440 15.067 ( 3.277 0.000 0.000) 3.277 15.151 ( 3.173 0.000 0.000) 3.173 15.190 ( 2.358 0.000 0.000) 2.358 15.973 ( 15.454 0.000 0.000) 15.454 16.226 ( 12.949 0.000 0.000) 12.949 16.417 ( 6.116 0.000 0.000) 6.116 16.450 ( 1.579 0.000 0.000) 1.579 16.454 ( -27.444 0.000 0.000) 27.444 16.556 ( 4.188 0.000 0.000) 4.188 16.644 ( -24.272 0.000 0.000) 24.272 16.677 ( -7.206 0.000 0.000) 7.206 17.819 ( -1.536 0.000 0.000) 1.536 17.885 ( -7.429 0.000 0.000) 7.429 18.105 ( -2.575 0.000 0.000) 2.575 18.133 ( -5.504 0.000 0.000) 5.504 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 19.319 0.000) 19.319 0.508 ( 0.000 24.473 0.000) 24.473 0.769 ( 0.000 -19.689 0.000) 19.689 0.837 ( 0.000 19.653 0.000) 19.653 1.079 ( 0.000 4.710 0.000) 4.710 1.683 ( 0.000 14.774 0.000) 14.774 1.795 ( 0.000 -38.560 0.000) 38.560 1.911 ( 0.000 -7.003 0.000) 7.003 2.141 ( 0.000 14.427 0.000) 14.427 2.412 ( 0.000 -11.336 0.000) 11.336 2.831 ( 0.000 -1.810 0.000) 1.810 2.874 ( 0.000 -5.385 0.000) 5.385 3.027 ( 0.000 15.436 0.000) 15.436 3.051 ( 0.000 4.188 0.000) 4.188 3.084 ( 0.000 1.094 0.000) 1.094 3.247 ( 0.000 -7.609 0.000) 7.609 3.428 ( 0.000 1.149 0.000) 1.149 3.429 ( 0.000 1.415 0.000) 1.415 3.880 ( 0.000 5.365 0.000) 5.365 3.953 ( 0.000 3.524 0.000) 3.524 4.007 ( 0.000 0.905 0.000) 0.905 4.023 ( 0.000 -0.679 0.000) 0.679 4.052 ( 0.000 3.123 0.000) 3.123 4.074 ( 0.000 -1.137 0.000) 1.137 4.089 ( 0.000 1.076 0.000) 1.076 4.164 ( 0.000 -2.051 0.000) 2.051 4.226 ( 0.000 -3.452 0.000) 3.452 4.257 ( 0.000 -4.585 0.000) 4.585 4.264 ( 0.000 1.961 0.000) 1.961 4.385 ( 0.000 -8.288 0.000) 8.288 4.457 ( 0.000 4.883 0.000) 4.883 4.566 ( 0.000 -5.309 0.000) 5.309 4.859 ( 0.000 7.025 0.000) 7.025 5.018 ( 0.000 -8.672 0.000) 8.672 5.283 ( 0.000 15.904 0.000) 15.904 5.416 ( 0.000 7.980 0.000) 7.980 5.547 ( 0.000 -5.130 0.000) 5.130 5.613 ( 0.000 -15.001 0.000) 15.001 5.752 ( 0.000 3.261 0.000) 3.261 5.782 ( 0.000 2.042 0.000) 2.042 5.926 ( 0.000 1.530 0.000) 1.530 5.957 ( 0.000 -0.914 0.000) 0.914 6.042 ( 0.000 -0.294 0.000) 0.294 6.082 ( 0.000 -2.662 0.000) 2.662 6.087 ( 0.000 4.725 0.000) 4.725 6.208 ( 0.000 -6.367 0.000) 6.367 6.227 ( 0.000 4.438 0.000) 4.438 6.280 ( 0.000 5.528 0.000) 5.528 6.358 ( 0.000 -1.468 0.000) 1.468 6.378 ( 0.000 -10.271 0.000) 10.271 6.766 ( 0.000 2.948 0.000) 2.948 6.852 ( 0.000 -5.012 0.000) 5.012 6.942 ( 0.000 0.788 0.000) 0.788 6.954 ( 0.000 -0.143 0.000) 0.143 7.166 ( 0.000 7.721 0.000) 7.721 7.172 ( 0.000 3.682 0.000) 3.682 7.426 ( 0.000 2.026 0.000) 2.026 7.604 ( 0.000 -12.213 0.000) 12.213 7.709 ( 0.000 2.883 0.000) 2.883 7.809 ( 0.000 -7.458 0.000) 7.458 7.911 ( 0.000 2.343 0.000) 2.343 7.937 ( 0.000 -0.585 0.000) 0.585 8.110 ( 0.000 2.492 0.000) 2.492 8.143 ( 0.000 -0.479 0.000) 0.479 8.207 ( 0.000 1.577 0.000) 1.577 8.248 ( 0.000 -1.940 0.000) 1.940 8.447 ( 0.000 19.118 0.000) 19.118 8.823 ( 0.000 -17.275 0.000) 17.275 9.267 ( 0.000 4.037 0.000) 4.037 9.316 ( 0.000 -1.299 0.000) 1.299 9.587 ( 0.000 3.876 0.000) 3.876 9.705 ( 0.000 -7.497 0.000) 7.497 10.090 ( 0.000 4.051 0.000) 4.051 10.104 ( 0.000 2.489 0.000) 2.489 10.174 ( 0.000 -0.498 0.000) 0.498 10.198 ( 0.000 -2.306 0.000) 2.306 10.208 ( 0.000 5.973 0.000) 5.973 10.327 ( 0.000 -4.781 0.000) 4.781 10.386 ( 0.000 0.417 0.000) 0.417 10.396 ( 0.000 -0.446 0.000) 0.446 10.591 ( 0.000 0.526 0.000) 0.526 10.611 ( 0.000 -1.538 0.000) 1.538 10.940 ( 0.000 2.972 0.000) 2.972 10.996 ( 0.000 -2.168 0.000) 2.168 11.510 ( 0.000 0.221 0.000) 0.221 11.530 ( 0.000 -1.379 0.000) 1.379 11.691 ( 0.000 0.341 0.000) 0.341 11.696 ( 0.000 4.658 0.000) 4.658 11.699 ( 0.000 -0.328 0.000) 0.328 11.778 ( 0.000 -2.871 0.000) 2.871 11.924 ( 0.000 0.072 0.000) 0.072 11.929 ( 0.000 -0.342 0.000) 0.342 12.579 ( 0.000 1.588 0.000) 1.588 12.625 ( 0.000 -2.858 0.000) 2.858 12.763 ( 0.000 3.405 0.000) 3.405 12.821 ( 0.000 -2.171 0.000) 2.171 12.857 ( 0.000 0.919 0.000) 0.919 12.921 ( 0.000 -4.923 0.000) 4.923 13.176 ( 0.000 3.340 0.000) 3.340 13.211 ( 0.000 0.296 0.000) 0.296 13.813 ( 0.000 1.716 0.000) 1.716 13.855 ( 0.000 -2.063 0.000) 2.063 14.079 ( 0.000 1.609 0.000) 1.609 14.110 ( 0.000 -1.248 0.000) 1.248 14.303 ( 0.000 0.182 0.000) 0.182 14.307 ( 0.000 -0.159 0.000) 0.159 14.808 ( 0.000 1.937 0.000) 1.937 14.859 ( 0.000 -2.589 0.000) 2.589 15.103 ( 0.000 2.512 0.000) 2.512 15.153 ( 0.000 -2.092 0.000) 2.092 16.586 ( 0.000 1.325 0.000) 1.325 16.614 ( 0.000 -1.267 0.000) 1.267 17.684 ( 0.000 0.462 0.000) 0.462 17.694 ( 0.000 -0.474 0.000) 0.474 17.839 ( 0.000 2.475 0.000) 2.475 17.896 ( 0.000 -2.730 0.000) 2.730 18.325 ( 0.000 0.353 0.000) 0.353 18.332 ( 0.000 -0.342 0.000) 0.342 18.535 ( 0.000 1.977 0.000) 1.977 18.576 ( 0.000 -1.698 0.000) 1.698 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 22.640 11.431 0.000) 25.362 0.765 ( 17.702 20.261 0.000) 26.905 0.969 ( 17.340 -16.961 0.000) 24.256 1.146 ( 22.112 -8.305 0.000) 23.620 1.353 ( 26.300 17.132 0.000) 31.388 1.759 ( 7.280 12.728 0.000) 14.663 1.924 ( 1.394 -3.034 0.000) 3.339 1.940 ( 15.136 -26.327 0.000) 30.368 2.257 ( 9.735 8.689 0.000) 13.048 2.460 ( -1.252 -3.594 0.000) 3.805 2.809 ( -0.677 -2.224 0.000) 2.324 2.878 ( -0.229 -7.691 0.000) 7.694 3.007 ( 0.513 16.558 0.000) 16.566 3.106 ( 5.187 5.092 0.000) 7.268 3.145 ( 3.530 8.356 0.000) 9.071 3.153 ( 5.335 0.844 0.000) 5.402 3.425 ( 3.997 -1.421 0.000) 4.242 3.488 ( 7.826 -3.630 0.000) 8.627 3.831 ( -3.233 4.180 0.000) 5.285 3.871 ( -2.611 2.514 0.000) 3.624 3.998 ( -0.948 0.756 0.000) 1.213 4.015 ( -0.559 -0.545 0.000) 0.781 4.049 ( -0.433 3.237 0.000) 3.266 4.098 ( -0.677 -1.832 0.000) 1.953 4.108 ( 1.324 -0.313 0.000) 1.360 4.143 ( -4.991 -4.141 0.000) 6.485 4.202 ( 1.043 0.649 0.000) 1.229 4.243 ( -1.552 4.094 0.000) 4.378 4.278 ( 4.022 -6.513 0.000) 7.655 4.397 ( 1.358 -9.054 0.000) 9.155 4.541 ( 7.266 6.090 0.000) 9.481 4.658 ( 8.224 -4.988 0.000) 9.618 4.856 ( -0.027 8.522 0.000) 8.522 5.034 ( 1.417 -8.941 0.000) 9.052 5.177 ( -6.831 14.390 0.000) 15.929 5.390 ( -2.150 6.623 0.000) 6.964 5.454 ( -4.521 -12.213 0.000) 13.023 5.507 ( -3.856 -4.797 0.000) 6.155 5.734 ( -1.498 1.956 0.000) 2.464 5.780 ( -1.284 -1.416 0.000) 1.912 5.932 ( -1.084 6.859 0.000) 6.944 5.997 ( -2.836 3.520 0.000) 4.520 6.022 ( 1.193 -1.483 0.000) 1.903 6.055 ( -2.932 -1.317 0.000) 3.214 6.077 ( -0.772 1.627 0.000) 1.801 6.098 ( -5.489 -1.563 0.000) 5.707 6.221 ( -0.664 4.829 0.000) 4.875 6.312 ( -1.438 6.125 0.000) 6.291 6.382 ( 0.078 -9.811 0.000) 9.811 6.470 ( 4.094 -9.348 0.000) 10.205 6.852 ( 4.341 3.389 0.000) 5.507 6.885 ( -1.961 1.793 0.000) 2.657 6.919 ( 0.325 1.811 0.000) 1.840 7.020 ( 9.035 -7.489 0.000) 11.735 7.100 ( -4.877 5.030 0.000) 7.006 7.153 ( -3.363 2.319 0.000) 4.085 7.410 ( -1.644 2.651 0.000) 3.120 7.558 ( -4.135 -9.346 0.000) 10.220 7.754 ( 4.580 2.362 0.000) 5.153 7.838 ( -5.456 3.198 0.000) 6.324 7.849 ( 4.300 -7.785 0.000) 8.894 7.886 ( -4.976 -1.743 0.000) 5.272 8.080 ( -2.067 3.359 0.000) 3.944 8.145 ( 0.466 -2.792 0.000) 2.831 8.302 ( 8.477 3.937 0.000) 9.347 8.378 ( 10.012 -3.036 0.000) 10.462 8.431 ( -0.040 17.935 0.000) 17.936 8.818 ( -1.939 -19.505 0.000) 19.601 9.271 ( 0.484 5.135 0.000) 5.158 9.378 ( 4.723 -5.394 0.000) 7.170 9.601 ( 1.249 3.202 0.000) 3.437 9.707 ( -0.073 -6.915 0.000) 6.916 10.029 ( -5.623 3.576 0.000) 6.664 10.065 ( -8.756 7.692 0.000) 11.655 10.077 ( -3.937 -0.460 0.000) 3.964 10.142 ( -1.310 3.076 0.000) 3.344 10.199 ( -5.335 -4.586 0.000) 7.035 10.213 ( 1.367 -2.691 0.000) 3.018 10.317 ( -3.517 3.070 0.000) 4.669 10.360 ( -2.633 -1.727 0.000) 3.149 10.718 ( 8.627 0.720 0.000) 8.657 10.733 ( 9.932 -0.544 0.000) 9.947 11.130 ( 6.190 9.510 0.000) 11.348 11.220 ( 16.797 -1.183 0.000) 16.838 11.496 ( -1.454 -0.213 0.000) 1.470 11.510 ( -1.905 -1.162 0.000) 2.231 11.674 ( -2.144 4.753 0.000) 5.214 11.684 ( -1.225 0.700 0.000) 1.410 11.702 ( 1.721 -1.030 0.000) 2.005 11.748 ( -2.861 -2.123 0.000) 3.563 11.900 ( -2.593 0.458 0.000) 2.633 11.920 ( -0.419 -1.204 0.000) 1.275 12.321 ( -11.603 15.205 0.000) 19.126 12.554 ( -9.382 -7.423 0.000) 11.964 12.693 ( -0.694 0.924 0.000) 1.156 12.712 ( 2.582 -0.736 0.000) 2.684 12.864 ( 0.594 0.420 0.000) 0.728 12.918 ( -0.311 -4.153 0.000) 4.164 13.165 ( -1.019 3.807 0.000) 3.941 13.213 ( 0.167 -0.459 0.000) 0.488 13.632 ( 3.036 6.302 0.000) 6.995 13.763 ( -3.811 -5.808 0.000) 6.947 13.970 ( 10.934 2.846 0.000) 11.298 14.024 ( 13.630 -2.194 0.000) 13.805 14.822 ( 1.190 1.926 0.000) 2.264 14.872 ( 1.088 -2.542 0.000) 2.765 15.085 ( -1.595 2.589 0.000) 3.040 15.110 ( 43.299 16.509 0.000) 46.340 15.138 ( -1.429 -2.197 0.000) 2.621 15.651 ( 40.926 -38.043 0.000) 55.877 16.553 ( -2.952 1.496 0.000) 3.310 16.585 ( -2.632 -1.418 0.000) 2.989 17.299 ( -22.342 8.186 0.000) 23.794 17.401 ( -24.613 -2.801 0.000) 24.772 17.743 ( -9.340 2.468 0.000) 9.661 17.800 ( -9.351 -2.707 0.000) 9.735 18.315 ( -3.098 4.035 0.000) 5.087 18.479 ( -5.414 1.976 0.000) 5.763 18.490 ( 2.823 -15.354 0.000) 15.611 18.519 ( -5.364 -1.713 0.000) 5.631 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 19.167 16.259 0.000) 25.135 1.164 ( 24.605 7.168 0.000) 25.628 1.381 ( 21.148 -13.807 0.000) 25.256 1.523 ( 16.387 -19.932 0.000) 25.804 1.955 ( 8.519 6.970 0.000) 11.007 1.987 ( 8.197 5.772 0.000) 10.026 2.033 ( 34.866 16.605 0.000) 38.618 2.311 ( 13.734 8.585 0.000) 16.197 2.376 ( -0.328 6.221 0.000) 6.230 2.528 ( 18.510 -18.383 0.000) 26.087 2.813 ( 0.555 -3.150 0.000) 3.198 2.883 ( 1.205 -8.325 0.000) 8.412 3.217 ( 4.576 3.544 0.000) 5.788 3.221 ( 13.952 3.337 0.000) 14.345 3.255 ( 3.729 0.535 0.000) 3.767 3.296 ( 7.806 -4.538 0.000) 9.029 3.522 ( 3.985 2.088 0.000) 4.498 3.624 ( -0.531 -3.680 0.000) 3.718 3.867 ( -0.560 2.960 0.000) 3.012 3.882 ( 9.259 7.788 0.000) 12.099 3.961 ( -2.966 2.484 0.000) 3.869 4.005 ( -0.877 -1.593 0.000) 1.818 4.025 ( -1.542 2.201 0.000) 2.688 4.026 ( -0.341 -4.039 0.000) 4.054 4.077 ( 3.521 -5.109 0.000) 6.205 4.089 ( -4.192 -3.565 0.000) 5.503 4.254 ( 3.777 9.024 0.000) 9.783 4.256 ( 2.983 4.734 0.000) 5.596 4.371 ( 4.707 -7.333 0.000) 8.714 4.452 ( 4.305 -9.889 0.000) 10.786 4.761 ( 13.186 4.386 0.000) 13.897 4.840 ( 6.202 -2.773 0.000) 6.794 4.873 ( 1.886 10.202 0.000) 10.375 5.067 ( 1.681 -8.517 0.000) 8.681 5.113 ( 3.632 14.455 0.000) 14.904 5.345 ( -2.063 2.353 0.000) 3.129 5.391 ( -7.206 -1.923 0.000) 7.458 5.423 ( 0.734 -15.169 0.000) 15.186 5.687 ( -3.224 0.205 0.000) 3.231 5.721 ( -3.516 -3.470 0.000) 4.940 5.858 ( -5.708 6.151 0.000) 8.392 5.932 ( -5.612 3.506 0.000) 6.618 5.971 ( -7.019 -3.268 0.000) 7.742 5.972 ( -4.457 0.193 0.000) 4.461 6.019 ( -1.012 1.252 0.000) 1.610 6.061 ( -1.295 -1.386 0.000) 1.897 6.200 ( -1.059 7.201 0.000) 7.279 6.290 ( -0.135 10.057 0.000) 10.058 6.374 ( -0.756 -8.282 0.000) 8.316 6.503 ( 0.570 -10.600 0.000) 10.615 6.823 ( -0.609 3.962 0.000) 4.008 6.869 ( -0.465 -0.977 0.000) 1.082 6.973 ( -7.574 2.505 0.000) 7.977 7.033 ( -8.223 -1.132 0.000) 8.301 7.059 ( 7.832 4.805 0.000) 9.188 7.163 ( 4.957 -4.457 0.000) 6.666 7.357 ( -3.592 2.993 0.000) 4.675 7.452 ( -6.002 -4.550 0.000) 7.532 7.713 ( -6.680 2.801 0.000) 7.244 7.759 ( -7.078 -1.630 0.000) 7.263 7.891 ( 8.251 1.421 0.000) 8.372 7.976 ( 7.488 -7.498 0.000) 10.596 8.042 ( -1.530 4.682 0.000) 4.926 8.154 ( 0.421 -5.742 0.000) 5.757 8.446 ( 1.638 14.128 0.000) 14.223 8.511 ( 11.372 5.831 0.000) 12.780 8.611 ( 12.237 -3.545 0.000) 12.740 8.760 ( -2.887 -16.870 0.000) 17.115 9.294 ( 1.631 9.175 0.000) 9.319 9.481 ( 4.844 -9.449 0.000) 10.619 9.613 ( -1.432 1.089 0.000) 1.799 9.678 ( -3.979 -5.138 0.000) 6.499 9.884 ( -7.012 4.176 0.000) 8.161 9.916 ( -6.464 10.029 0.000) 11.932 9.961 ( -5.594 -3.520 0.000) 6.610 10.114 ( -3.847 -8.586 0.000) 9.408 10.139 ( 0.622 6.571 0.000) 6.601 10.257 ( 2.956 -4.354 0.000) 5.263 10.277 ( 0.084 5.701 0.000) 5.701 10.336 ( 0.199 -0.521 0.000) 0.558 10.876 ( 6.589 6.261 0.000) 9.089 10.954 ( 10.378 -2.182 0.000) 10.605 11.181 ( 0.617 12.556 0.000) 12.571 11.443 ( -3.821 -0.554 0.000) 3.861 11.446 ( 3.941 -9.979 0.000) 10.728 11.451 ( -3.913 -1.236 0.000) 4.103 11.606 ( -4.657 4.327 0.000) 6.357 11.664 ( -0.195 4.629 0.000) 4.633 11.670 ( -4.516 -1.891 0.000) 4.895 11.769 ( 3.930 -4.190 0.000) 5.745 11.836 ( -3.174 3.217 0.000) 4.519 11.912 ( -0.362 -3.120 0.000) 3.141 12.299 ( 5.683 1.933 0.000) 6.003 12.373 ( -3.572 -5.147 0.000) 6.265 12.772 ( 5.806 2.993 0.000) 6.532 12.820 ( 6.981 -1.590 0.000) 7.160 12.866 ( -1.060 -0.106 0.000) 1.065 12.909 ( -0.442 -3.164 0.000) 3.195 13.138 ( -1.437 5.192 0.000) 5.388 13.218 ( 0.344 -2.229 0.000) 2.255 13.807 ( 11.790 0.947 0.000) 11.828 13.831 ( 8.780 -1.327 0.000) 8.879 14.319 ( 22.069 3.939 0.000) 22.417 14.412 ( 23.210 -4.574 0.000) 23.656 14.841 ( 0.098 1.783 0.000) 1.786 14.886 ( -0.332 -2.274 0.000) 2.298 15.046 ( -1.943 2.722 0.000) 3.345 15.103 ( -1.729 -2.459 0.000) 3.006 15.802 ( 23.088 10.769 0.000) 25.476 16.018 ( 1.950 -8.721 0.000) 8.937 16.483 ( -3.279 1.869 0.000) 3.774 16.523 ( -2.912 -1.739 0.000) 3.391 16.856 ( -25.307 2.987 0.000) 25.483 16.939 ( -12.713 -4.537 0.000) 13.498 17.464 ( -17.798 2.539 0.000) 17.979 17.522 ( -17.578 -2.769 0.000) 17.795 18.192 ( -8.408 6.879 0.000) 10.864 18.325 ( -9.312 2.187 0.000) 9.565 18.370 ( -8.775 -1.937 0.000) 8.987 18.405 ( -8.888 -13.235 0.000) 15.943 ======================= Grid point 12 (9/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 14.660 15.549 0.000) 21.370 1.638 ( 20.559 3.457 0.000) 20.848 1.734 ( 10.834 -4.177 0.000) 11.612 1.837 ( 13.777 -16.593 0.000) 21.567 2.139 ( 14.806 6.745 0.000) 16.270 2.267 ( 15.715 -0.755 0.000) 15.733 2.407 ( 6.887 6.764 0.000) 9.653 2.461 ( 7.439 4.113 0.000) 8.500 2.748 ( 27.587 8.509 0.000) 28.869 2.817 ( -0.134 -0.178 0.000) 0.223 2.918 ( 1.067 -7.437 0.000) 7.513 2.956 ( 17.498 -14.267 0.000) 22.577 3.231 ( -3.469 4.533 0.000) 5.708 3.317 ( 2.746 -3.643 0.000) 4.562 3.355 ( -8.018 5.005 0.000) 9.452 3.404 ( -1.165 0.394 0.000) 1.230 3.463 ( -5.420 -3.262 0.000) 6.326 3.485 ( -3.780 -6.933 0.000) 7.896 3.866 ( -6.214 0.989 0.000) 6.292 3.918 ( -8.339 -3.404 0.000) 9.007 3.929 ( 9.059 3.010 0.000) 9.546 4.003 ( -2.152 1.871 0.000) 2.851 4.023 ( 0.821 0.223 0.000) 0.851 4.024 ( 1.217 -4.513 0.000) 4.674 4.170 ( 13.008 4.650 0.000) 13.814 4.210 ( 4.519 -0.004 0.000) 4.519 4.368 ( 6.398 9.193 0.000) 11.200 4.510 ( 22.733 1.540 0.000) 22.785 4.539 ( 13.982 -2.137 0.000) 14.145 4.567 ( 6.286 -9.639 0.000) 11.508 4.851 ( -1.122 8.927 0.000) 8.997 4.924 ( 2.591 8.800 0.000) 9.173 4.996 ( 6.370 -5.839 0.000) 8.641 5.081 ( -2.702 -5.829 0.000) 6.425 5.233 ( -4.692 3.917 0.000) 6.112 5.317 ( 11.026 7.216 0.000) 13.177 5.326 ( -0.662 -4.333 0.000) 4.384 5.497 ( 6.627 -9.427 0.000) 11.523 5.603 ( -4.964 1.341 0.000) 5.142 5.662 ( -3.705 -3.538 0.000) 5.123 5.722 ( -6.529 4.280 0.000) 7.806 5.764 ( -8.437 2.952 0.000) 8.939 5.826 ( -6.567 -5.614 0.000) 8.639 5.835 ( -9.606 -2.859 0.000) 10.023 5.997 ( -0.398 2.053 0.000) 2.092 6.025 ( -1.294 -1.410 0.000) 1.914 6.188 ( -0.499 8.831 0.000) 8.845 6.312 ( 2.047 9.882 0.000) 10.092 6.354 ( -1.385 -6.651 0.000) 6.794 6.518 ( 0.960 -9.969 0.000) 10.015 6.790 ( -10.546 0.702 0.000) 10.569 6.831 ( -10.862 -2.046 0.000) 11.053 6.861 ( 4.319 3.281 0.000) 5.423 6.897 ( 3.455 -0.549 0.000) 3.498 7.197 ( 6.016 2.557 0.000) 6.537 7.243 ( 3.510 -1.476 0.000) 3.808 7.262 ( -5.638 2.408 0.000) 6.130 7.317 ( -7.241 -1.594 0.000) 7.414 7.570 ( -7.096 2.243 0.000) 7.442 7.607 ( -7.653 -1.092 0.000) 7.731 8.023 ( -0.244 5.257 0.000) 5.263 8.037 ( 4.548 1.505 0.000) 4.791 8.122 ( 5.973 -6.800 0.000) 9.051 8.165 ( 0.730 -8.028 0.000) 8.061 8.526 ( 7.121 9.509 0.000) 11.880 8.739 ( 1.924 -11.845 0.000) 12.001 8.744 ( 10.857 7.527 0.000) 13.211 8.855 ( 11.072 -2.991 0.000) 11.468 9.315 ( -0.333 11.295 0.000) 11.300 9.484 ( -10.637 -0.402 0.000) 10.644 9.504 ( -11.800 -1.920 0.000) 11.955 9.533 ( -1.281 -9.914 0.000) 9.997 9.815 ( -2.256 9.492 0.000) 9.757 9.823 ( 0.435 1.881 0.000) 1.931 9.901 ( -0.476 -5.084 0.000) 5.107 10.029 ( -4.146 -9.223 0.000) 10.113 10.165 ( 1.931 9.265 0.000) 9.464 10.295 ( 0.209 7.121 0.000) 7.124 10.330 ( 4.028 -6.266 0.000) 7.449 10.369 ( 3.007 0.210 0.000) 3.014 10.988 ( 4.840 8.215 0.000) 9.535 11.127 ( 6.047 -4.088 0.000) 7.299 11.209 ( 2.952 5.017 0.000) 5.821 11.343 ( -5.833 -0.253 0.000) 5.838 11.357 ( -4.967 -1.869 0.000) 5.306 11.423 ( -3.780 -13.232 0.000) 13.761 11.493 ( -6.001 3.719 0.000) 7.060 11.567 ( -5.494 -3.413 0.000) 6.468 11.671 ( 0.604 8.076 0.000) 8.098 11.780 ( -2.384 6.728 0.000) 7.138 11.837 ( 2.730 -7.002 0.000) 7.515 11.906 ( -0.224 -4.596 0.000) 4.602 12.414 ( 6.375 2.206 0.000) 6.746 12.468 ( 9.204 -2.668 0.000) 9.583 12.813 ( -3.995 1.865 0.000) 4.409 12.886 ( -2.473 -4.646 0.000) 5.263 12.900 ( 6.383 4.257 0.000) 7.672 12.973 ( 7.597 -2.633 0.000) 8.041 13.112 ( -1.049 6.739 0.000) 6.821 13.222 ( -0.205 -3.752 0.000) 3.757 14.068 ( 14.003 0.606 0.000) 14.016 14.082 ( 14.445 -0.655 0.000) 14.460 14.800 ( -4.717 1.304 0.000) 4.894 14.806 ( 23.088 3.953 0.000) 23.424 14.832 ( -5.521 -1.616 0.000) 5.753 14.898 ( 21.736 -4.370 0.000) 22.171 15.021 ( -0.061 2.834 0.000) 2.835 15.083 ( 0.166 -2.773 0.000) 2.778 15.936 ( -5.292 2.194 0.000) 5.728 16.020 ( -0.368 -6.642 0.000) 6.652 16.445 ( -0.023 2.105 0.000) 2.105 16.490 ( 0.083 -1.960 0.000) 1.961 16.528 ( -4.226 14.182 0.000) 14.798 16.757 ( -6.377 -7.769 0.000) 10.051 17.030 ( -24.313 2.994 0.000) 24.497 17.099 ( -23.448 -3.270 0.000) 23.675 18.009 ( -8.414 7.387 0.000) 11.197 18.120 ( -10.154 3.187 0.000) 10.643 18.186 ( -8.541 -2.877 0.000) 9.013 18.200 ( -9.810 -9.953 0.000) 13.975 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 7.047 15.555 0.000) 17.076 1.802 ( -0.623 10.590 0.000) 10.609 1.978 ( 9.856 -5.254 0.000) 11.169 2.034 ( 4.192 -12.811 0.000) 13.479 2.532 ( 20.762 0.458 0.000) 20.767 2.593 ( 10.084 2.528 0.000) 10.396 2.613 ( 18.321 -4.751 0.000) 18.927 2.644 ( 10.884 -2.137 0.000) 11.092 2.783 ( -4.416 1.215 0.000) 4.580 2.864 ( -7.020 -4.473 0.000) 8.324 2.965 ( -15.252 -0.597 0.000) 15.264 3.000 ( -16.034 -3.266 0.000) 16.363 3.154 ( -1.333 11.166 0.000) 11.246 3.180 ( -1.671 9.038 0.000) 9.191 3.338 ( 10.450 -2.867 0.000) 10.837 3.374 ( 2.946 -9.493 0.000) 9.939 3.457 ( 4.932 1.874 0.000) 5.276 3.582 ( 5.585 -10.072 0.000) 11.517 3.686 ( -12.354 0.317 0.000) 12.358 3.734 ( -8.245 -5.165 0.000) 9.730 3.982 ( -0.118 3.887 0.000) 3.889 3.998 ( -1.302 1.786 0.000) 2.210 4.043 ( 0.800 -0.599 0.000) 1.000 4.045 ( 0.969 -1.357 0.000) 1.668 4.385 ( 9.925 4.415 0.000) 10.863 4.461 ( 15.159 -2.112 0.000) 15.305 4.471 ( 2.102 9.641 0.000) 9.867 4.652 ( -0.596 -7.001 0.000) 7.027 4.778 ( 2.254 9.053 0.000) 9.330 4.898 ( -11.138 3.797 0.000) 11.768 4.950 ( 18.999 5.212 0.000) 19.701 4.960 ( 1.525 -1.893 0.000) 2.431 4.992 ( 9.103 -8.665 0.000) 12.568 5.040 ( 10.341 -4.209 0.000) 11.165 5.266 ( -1.990 0.852 0.000) 2.165 5.286 ( -1.183 -0.634 0.000) 1.342 5.417 ( -1.163 7.140 0.000) 7.234 5.432 ( -11.168 2.670 0.000) 11.482 5.490 ( -9.618 -1.143 0.000) 9.686 5.493 ( -6.671 -0.819 0.000) 6.721 5.663 ( -1.594 0.008 0.000) 1.594 5.714 ( -4.583 -3.625 0.000) 5.843 5.728 ( 3.609 -5.082 0.000) 6.233 5.731 ( 1.165 -5.745 0.000) 5.862 6.025 ( 4.805 5.329 0.000) 7.175 6.114 ( 9.983 -3.853 0.000) 10.700 6.147 ( -4.371 8.376 0.000) 9.448 6.295 ( -5.461 -5.808 0.000) 7.972 6.373 ( 4.592 8.166 0.000) 9.368 6.545 ( -12.150 3.488 0.000) 12.641 6.547 ( 2.276 -8.339 0.000) 8.644 6.638 ( -7.233 -5.082 0.000) 8.840 6.985 ( 7.167 1.887 0.000) 7.412 7.005 ( 6.824 0.141 0.000) 6.825 7.132 ( -6.997 1.689 0.000) 7.198 7.160 ( -7.972 -0.138 0.000) 7.973 7.316 ( 5.587 0.885 0.000) 5.656 7.325 ( 5.115 0.270 0.000) 5.122 7.432 ( -6.292 1.603 0.000) 6.493 7.455 ( -7.078 -0.413 0.000) 7.090 8.035 ( 1.335 4.982 0.000) 5.158 8.064 ( -0.975 3.620 0.000) 3.749 8.184 ( 0.999 -9.086 0.000) 9.140 8.192 ( 0.893 -8.441 0.000) 8.488 8.731 ( 11.598 6.344 0.000) 13.219 8.863 ( 9.546 -6.955 0.000) 11.811 8.890 ( 0.113 7.893 0.000) 7.894 9.006 ( 0.767 -3.115 0.000) 3.207 9.256 ( -7.601 3.405 0.000) 8.329 9.267 ( -3.990 10.432 0.000) 11.169 9.330 ( -1.640 -2.436 0.000) 2.937 9.426 ( -7.411 -3.802 0.000) 8.329 9.823 ( 1.549 1.575 0.000) 2.209 9.839 ( 0.252 -0.542 0.000) 0.597 9.916 ( 1.504 -6.087 0.000) 6.270 9.958 ( -2.706 -8.055 0.000) 8.497 10.215 ( 2.850 11.459 0.000) 11.808 10.271 ( -2.301 10.802 0.000) 11.045 10.405 ( 2.770 -6.531 0.000) 7.094 10.423 ( 1.274 -3.499 0.000) 3.724 11.092 ( 5.635 4.275 0.000) 7.073 11.204 ( 2.631 -3.378 0.000) 4.282 11.216 ( -6.366 0.991 0.000) 6.442 11.265 ( -3.739 -3.409 0.000) 5.060 11.296 ( 4.079 -1.257 0.000) 4.268 11.376 ( 0.848 -6.608 0.000) 6.662 11.378 ( -4.882 2.335 0.000) 5.412 11.454 ( -5.328 -4.412 0.000) 6.918 11.693 ( 1.609 9.761 0.000) 9.893 11.734 ( -2.229 9.044 0.000) 9.314 11.880 ( 1.504 -7.648 0.000) 7.795 11.900 ( -0.494 -6.328 0.000) 6.347 12.565 ( 7.628 4.006 0.000) 8.616 12.652 ( 8.375 -3.946 0.000) 9.258 12.708 ( -6.187 3.596 0.000) 7.156 12.799 ( -5.901 -4.770 0.000) 7.588 13.017 ( 4.725 5.405 0.000) 7.179 13.085 ( -2.051 6.453 0.000) 6.771 13.112 ( 5.693 -3.528 0.000) 6.698 13.197 ( -2.545 -4.078 0.000) 4.807 14.370 ( 14.847 0.497 0.000) 14.855 14.381 ( 14.403 -0.571 0.000) 14.414 14.639 ( -10.901 0.537 0.000) 10.914 14.653 ( -11.704 -0.714 0.000) 11.726 15.056 ( 3.355 2.836 0.000) 4.393 15.098 ( 3.021 2.796 0.000) 4.116 15.119 ( 3.241 -2.869 0.000) 4.328 15.160 ( 2.538 -2.784 0.000) 3.767 16.010 ( 15.932 3.681 0.000) 16.351 16.118 ( 15.473 -6.790 0.000) 16.897 16.462 ( -3.919 1.040 0.000) 4.054 16.470 ( -17.588 0.713 0.000) 17.602 16.530 ( 0.443 7.102 0.000) 7.116 16.560 ( -3.809 1.044 0.000) 3.950 16.608 ( -20.563 -3.000 0.000) 20.780 16.641 ( -5.376 -3.661 0.000) 6.504 17.895 ( -1.919 6.918 0.000) 7.179 17.943 ( -6.286 5.142 0.000) 8.121 18.052 ( -3.953 -7.291 0.000) 8.294 18.053 ( -3.848 -4.799 0.000) 6.152 ======================= Grid point 27 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 0.000 20.406) 20.406 0.585 ( 0.000 0.000 29.990) 29.990 0.934 ( 0.000 0.000 47.388) 47.388 1.189 ( 0.000 0.000 13.644) 13.644 1.380 ( 0.000 0.000 12.523) 12.523 1.603 ( 0.000 0.000 13.924) 13.924 1.878 ( 0.000 0.000 2.602) 2.602 2.112 ( 0.000 0.000 7.452) 7.452 2.316 ( 0.000 0.000 -2.192) 2.192 2.440 ( 0.000 0.000 1.606) 1.606 2.628 ( 0.000 0.000 3.470) 3.470 2.752 ( 0.000 0.000 8.386) 8.386 2.920 ( 0.000 0.000 0.339) 0.339 3.038 ( 0.000 0.000 5.082) 5.082 3.058 ( 0.000 0.000 2.857) 2.857 3.108 ( 0.000 0.000 13.566) 13.566 3.404 ( 0.000 0.000 2.843) 2.843 3.440 ( 0.000 0.000 2.907) 2.907 3.728 ( 0.000 0.000 -12.912) 12.912 3.807 ( 0.000 0.000 -2.791) 2.791 3.960 ( 0.000 0.000 -2.920) 2.920 3.990 ( 0.000 0.000 -4.361) 4.361 3.994 ( 0.000 0.000 -5.113) 5.113 4.035 ( 0.000 0.000 -3.741) 3.741 4.117 ( 0.000 0.000 5.139) 5.139 4.142 ( 0.000 0.000 -2.881) 2.881 4.256 ( 0.000 0.000 -1.222) 1.222 4.281 ( 0.000 0.000 1.028) 1.028 4.285 ( 0.000 0.000 -4.228) 4.228 4.399 ( 0.000 0.000 -0.506) 0.506 4.471 ( 0.000 0.000 -2.322) 2.322 4.642 ( 0.000 0.000 1.013) 1.013 4.780 ( 0.000 0.000 0.210) 0.210 4.941 ( 0.000 0.000 -7.992) 7.992 5.083 ( 0.000 0.000 -6.931) 6.931 5.306 ( 0.000 0.000 1.204) 1.204 5.611 ( 0.000 0.000 -2.533) 2.533 5.722 ( 0.000 0.000 -0.685) 0.685 5.746 ( 0.000 0.000 5.170) 5.170 5.792 ( 0.000 0.000 -0.899) 0.899 5.828 ( 0.000 0.000 8.271) 8.271 5.890 ( 0.000 0.000 -2.240) 2.240 5.972 ( 0.000 0.000 -0.836) 0.836 6.006 ( 0.000 0.000 -2.019) 2.019 6.040 ( 0.000 0.000 -0.214) 0.214 6.145 ( 0.000 0.000 -2.327) 2.327 6.261 ( 0.000 0.000 -7.652) 7.652 6.280 ( 0.000 0.000 -0.073) 0.073 6.391 ( 0.000 0.000 6.650) 6.650 6.474 ( 0.000 0.000 -4.957) 4.957 6.540 ( 0.000 0.000 -1.179) 1.179 6.736 ( 0.000 0.000 -0.101) 0.101 6.925 ( 0.000 0.000 -0.394) 0.394 6.976 ( 0.000 0.000 3.296) 3.296 7.008 ( 0.000 0.000 -0.863) 0.863 7.181 ( 0.000 0.000 3.900) 3.900 7.601 ( 0.000 0.000 -5.573) 5.573 7.803 ( 0.000 0.000 -1.967) 1.967 7.918 ( 0.000 0.000 -2.208) 2.208 7.966 ( 0.000 0.000 0.038) 0.038 7.987 ( 0.000 0.000 11.149) 11.149 8.007 ( 0.000 0.000 -3.634) 3.634 8.084 ( 0.000 0.000 3.606) 3.606 8.197 ( 0.000 0.000 2.129) 2.129 8.216 ( 0.000 0.000 2.287) 2.287 8.260 ( 0.000 0.000 -0.722) 0.722 8.927 ( 0.000 0.000 0.379) 0.379 9.032 ( 0.000 0.000 -3.881) 3.881 9.198 ( 0.000 0.000 3.077) 3.077 9.315 ( 0.000 0.000 -1.430) 1.430 9.553 ( 0.000 0.000 0.382) 0.382 9.816 ( 0.000 0.000 -0.347) 0.347 9.946 ( 0.000 0.000 -10.206) 10.206 10.071 ( 0.000 0.000 0.476) 0.476 10.082 ( 0.000 0.000 1.513) 1.513 10.091 ( 0.000 0.000 -0.117) 0.117 10.347 ( 0.000 0.000 7.522) 7.522 10.393 ( 0.000 0.000 -0.528) 0.528 10.408 ( 0.000 0.000 -2.501) 2.501 10.415 ( 0.000 0.000 3.223) 3.223 10.594 ( 0.000 0.000 3.068) 3.068 10.643 ( 0.000 0.000 5.899) 5.899 10.881 ( 0.000 0.000 2.649) 2.649 10.915 ( 0.000 0.000 1.187) 1.187 10.991 ( 0.000 0.000 -2.931) 2.931 11.502 ( 0.000 0.000 -4.686) 4.686 11.510 ( 0.000 0.000 -0.983) 0.983 11.672 ( 0.000 0.000 -0.372) 0.372 11.727 ( 0.000 0.000 2.408) 2.408 11.824 ( 0.000 0.000 -8.761) 8.761 11.951 ( 0.000 0.000 12.747) 12.747 11.981 ( 0.000 0.000 5.437) 5.437 12.454 ( 0.000 0.000 -3.313) 3.313 12.585 ( 0.000 0.000 0.445) 0.445 12.655 ( 0.000 0.000 -2.773) 2.773 12.681 ( 0.000 0.000 -2.000) 2.000 12.829 ( 0.000 0.000 -1.430) 1.430 12.882 ( 0.000 0.000 2.060) 2.060 13.019 ( 0.000 0.000 -7.879) 7.879 13.198 ( 0.000 0.000 0.767) 0.767 13.780 ( 0.000 0.000 -3.691) 3.691 13.832 ( 0.000 0.000 -4.756) 4.756 14.124 ( 0.000 0.000 -0.959) 0.959 14.240 ( 0.000 0.000 -6.032) 6.032 14.432 ( 0.000 0.000 13.819) 13.819 14.792 ( 0.000 0.000 0.166) 0.166 14.938 ( 0.000 0.000 6.143) 6.143 14.985 ( 0.000 0.000 -8.391) 8.391 15.085 ( 0.000 0.000 -8.830) 8.830 15.882 ( 0.000 0.000 -0.126) 0.126 16.415 ( 0.000 0.000 5.493) 5.493 16.590 ( 0.000 0.000 2.143) 2.143 17.013 ( 0.000 0.000 0.500) 0.500 17.596 ( 0.000 0.000 -9.008) 9.008 17.837 ( 0.000 0.000 1.823) 1.823 17.941 ( 0.000 0.000 1.349) 1.349 18.284 ( 0.000 0.000 -3.145) 3.145 18.325 ( 0.000 0.000 -1.090) 1.090 18.613 ( 0.000 0.000 1.365) 1.365 18.636 ( 0.000 0.000 -0.878) 0.878 ======================= Grid point 28 (12/60) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 17.831 0.000 12.287) 21.654 0.960 ( 20.783 0.000 26.604) 33.760 1.205 ( 29.903 0.000 27.958) 40.937 1.347 ( 14.355 0.000 11.863) 18.622 1.577 ( 14.809 0.000 9.593) 17.644 1.694 ( 9.999 0.000 13.595) 16.876 1.879 ( 0.318 0.000 1.641) 1.671 2.069 ( -2.368 0.000 5.242) 5.752 2.337 ( -3.807 0.000 5.987) 7.095 2.498 ( 15.790 0.000 -1.613) 15.873 2.808 ( 5.057 0.000 4.921) 7.056 2.891 ( 17.344 0.000 -0.327) 17.347 2.948 ( 2.833 0.000 3.675) 4.640 3.052 ( 1.822 0.000 6.651) 6.896 3.095 ( 3.905 0.000 1.862) 4.326 3.177 ( 6.548 0.000 9.546) 11.576 3.488 ( 6.102 0.000 2.207) 6.489 3.551 ( 10.842 0.000 2.477) 11.121 3.660 ( -5.508 0.000 -10.072) 11.480 3.797 ( -0.668 0.000 -3.391) 3.456 3.964 ( 0.227 0.000 -3.481) 3.489 3.974 ( -1.482 0.000 -4.317) 4.564 4.016 ( 1.621 0.000 -4.830) 5.095 4.030 ( 0.057 0.000 0.249) 0.256 4.130 ( -1.006 0.000 -3.201) 3.355 4.154 ( 2.811 0.000 2.787) 3.959 4.198 ( -5.747 0.000 -2.710) 6.354 4.256 ( -2.578 0.000 0.574) 2.642 4.390 ( 9.514 0.000 0.563) 9.530 4.439 ( 2.632 0.000 -1.379) 2.971 4.499 ( 2.954 0.000 -1.954) 3.542 4.713 ( 7.865 0.000 0.070) 7.866 4.729 ( -3.974 0.000 -2.106) 4.498 4.905 ( -2.505 0.000 -3.629) 4.409 5.100 ( 0.864 0.000 -6.586) 6.642 5.288 ( -0.760 0.000 0.716) 1.044 5.627 ( 0.696 0.000 -3.667) 3.732 5.680 ( -7.819 0.000 5.541) 9.583 5.730 ( -2.670 0.000 -2.812) 3.878 5.781 ( 2.632 0.000 -0.438) 2.669 5.789 ( -1.788 0.000 3.147) 3.619 5.929 ( -0.083 0.000 -6.295) 6.296 5.943 ( -1.716 0.000 4.270) 4.602 5.982 ( -2.671 0.000 -1.582) 3.104 6.070 ( 2.534 0.000 0.609) 2.607 6.139 ( -1.789 0.000 -2.190) 2.828 6.182 ( -3.678 0.000 -2.501) 4.448 6.277 ( -7.808 0.000 3.235) 8.452 6.457 ( -1.139 0.000 -4.028) 4.186 6.540 ( 11.823 0.000 -13.495) 17.942 6.599 ( 3.361 0.000 -1.827) 3.826 6.771 ( 3.212 0.000 -4.022) 5.147 6.906 ( -1.509 0.000 0.016) 1.509 7.002 ( 3.279 0.000 1.826) 3.754 7.090 ( 5.526 0.000 4.630) 7.210 7.148 ( -3.335 0.000 4.286) 5.430 7.604 ( 0.668 0.000 -6.236) 6.272 7.687 ( -8.455 0.000 -0.342) 8.462 7.840 ( -13.281 0.000 10.083) 16.675 7.887 ( -4.378 0.000 -1.790) 4.730 7.982 ( -2.079 0.000 5.791) 6.153 8.023 ( 5.440 0.000 0.138) 5.441 8.112 ( 1.977 0.000 -0.007) 1.977 8.196 ( -3.294 0.000 9.597) 10.147 8.243 ( 5.553 0.000 -0.706) 5.598 8.340 ( -14.172 0.000 17.745) 22.710 8.402 ( 9.657 0.000 -0.539) 9.672 9.036 ( 0.596 0.000 -4.277) 4.318 9.215 ( -7.534 0.000 -0.430) 7.546 9.394 ( 6.674 0.000 -5.535) 8.671 9.576 ( 2.127 0.000 0.404) 2.165 9.789 ( -3.298 0.000 -3.173) 4.577 9.895 ( -2.877 0.000 -3.942) 4.881 10.022 ( -4.482 0.000 3.472) 5.669 10.061 ( -3.966 0.000 -3.936) 5.587 10.068 ( -0.976 0.000 1.313) 1.636 10.251 ( -3.803 0.000 2.305) 4.447 10.313 ( -3.573 0.000 6.195) 7.152 10.351 ( -1.830 0.000 6.583) 6.832 10.380 ( -1.465 0.000 0.994) 1.770 10.713 ( 2.470 0.000 0.406) 2.504 10.778 ( 10.978 0.000 4.940) 12.038 10.954 ( 6.260 0.000 2.223) 6.643 11.214 ( 18.777 0.000 -1.550) 18.841 11.341 ( 15.758 0.000 -13.461) 20.724 11.476 ( -2.439 0.000 -4.906) 5.479 11.507 ( -0.381 0.000 -0.929) 1.005 11.682 ( 0.972 0.000 -0.722) 1.211 11.716 ( -1.260 0.000 1.885) 2.268 11.809 ( -1.018 0.000 -6.695) 6.772 11.914 ( -2.488 0.000 10.374) 10.668 11.998 ( 0.776 0.000 7.266) 7.307 12.251 ( -5.956 0.000 5.069) 7.821 12.624 ( 3.638 0.000 -0.492) 3.671 12.673 ( -11.027 0.000 -1.328) 11.107 12.704 ( 4.458 0.000 -1.388) 4.669 12.862 ( 5.900 0.000 -5.834) 8.297 12.891 ( 1.068 0.000 1.262) 1.654 13.055 ( 1.515 0.000 -4.556) 4.802 13.205 ( 0.730 0.000 0.094) 0.736 13.870 ( -7.764 0.000 17.461) 19.109 13.895 ( 11.649 0.000 -3.495) 12.162 13.948 ( -8.444 0.000 8.429) 11.932 14.000 ( 15.438 0.000 -4.780) 16.161 14.779 ( 8.494 0.000 -3.617) 9.231 14.824 ( 5.468 0.000 -1.691) 5.724 14.971 ( -1.273 0.000 -7.984) 8.085 15.075 ( -0.868 0.000 -8.397) 8.442 15.089 ( 21.664 0.000 9.563) 23.681 16.345 ( -6.656 0.000 5.423) 8.585 16.375 ( 15.502 0.000 -20.182) 25.449 16.551 ( -3.506 0.000 1.681) 3.888 16.976 ( -3.419 0.000 -6.370) 7.229 17.359 ( -21.895 0.000 -6.293) 22.781 17.731 ( -9.917 0.000 1.345) 10.008 17.843 ( -9.563 0.000 1.167) 9.634 18.236 ( -5.441 0.000 -3.849) 6.665 18.361 ( -1.394 0.000 -7.842) 7.965 18.543 ( -6.019 0.000 0.611) 6.050 18.633 ( -2.998 0.000 -5.850) 6.574 ======================= Grid point 29 (13/60) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 18.721 0.000 6.076) 19.682 1.357 ( 20.048 0.000 23.335) 30.765 1.706 ( 17.556 0.000 8.559) 19.531 1.826 ( 13.257 0.000 4.671) 14.056 1.881 ( 1.434 0.000 1.559) 2.118 1.953 ( 34.731 0.000 10.858) 36.389 2.006 ( 17.879 0.000 12.455) 21.789 2.097 ( 6.103 0.000 2.675) 6.663 2.329 ( 3.334 0.000 8.986) 9.584 2.878 ( 18.346 0.000 -5.159) 19.057 2.887 ( 0.998 0.000 -0.664) 1.199 3.063 ( 3.155 0.000 6.589) 7.305 3.065 ( 8.969 0.000 5.264) 10.399 3.172 ( 4.128 0.000 -2.298) 4.724 3.220 ( 7.826 0.000 2.056) 8.091 3.364 ( 6.809 0.000 0.246) 6.814 3.595 ( -3.838 0.000 -0.129) 3.840 3.643 ( 10.497 0.000 -0.851) 10.531 3.704 ( 9.307 0.000 0.896) 9.350 3.856 ( -4.648 0.000 -0.862) 4.728 3.942 ( -1.650 0.000 -2.377) 2.893 3.986 ( 4.094 0.000 -2.272) 4.682 4.013 ( 3.018 0.000 -4.748) 5.627 4.016 ( -2.108 0.000 3.037) 3.697 4.087 ( -2.076 0.000 -3.351) 3.942 4.140 ( 4.754 0.000 -1.160) 4.893 4.185 ( 0.096 0.000 3.203) 3.204 4.225 ( 0.370 0.000 2.430) 2.458 4.507 ( 4.260 0.000 -0.727) 4.322 4.548 ( 0.852 0.000 -8.508) 8.551 4.586 ( 5.491 0.000 -2.059) 5.864 4.756 ( 11.017 0.000 1.471) 11.115 4.861 ( -1.312 0.000 2.584) 2.898 4.949 ( 14.114 0.000 -1.310) 14.175 5.111 ( 0.600 0.000 -5.696) 5.728 5.284 ( 0.392 0.000 -2.285) 2.319 5.441 ( -13.296 0.000 0.458) 13.304 5.621 ( -2.679 0.000 -3.540) 4.440 5.656 ( -3.987 0.000 -4.150) 5.755 5.766 ( -0.870 0.000 3.274) 3.387 5.803 ( -2.991 0.000 -3.823) 4.854 5.894 ( -4.490 0.000 4.240) 6.175 5.922 ( 0.359 0.000 -0.250) 0.438 5.939 ( 0.332 0.000 3.376) 3.392 6.046 ( -6.742 0.000 -2.570) 7.216 6.106 ( -3.869 0.000 -2.748) 4.746 6.124 ( -6.829 0.000 -1.268) 6.946 6.136 ( 3.605 0.000 1.967) 4.106 6.429 ( -1.259 0.000 -2.642) 2.926 6.650 ( 1.038 0.000 -5.070) 5.175 6.670 ( 4.086 0.000 -1.386) 4.315 6.828 ( 0.972 0.000 -7.800) 7.860 6.883 ( -0.289 0.000 0.825) 0.874 7.019 ( -6.155 0.000 1.880) 6.436 7.127 ( 4.629 0.000 0.167) 4.632 7.165 ( 2.040 0.000 7.518) 7.789 7.509 ( -8.597 0.000 1.524) 8.731 7.565 ( -9.106 0.000 8.893) 12.728 7.638 ( -1.521 0.000 -0.276) 1.546 7.764 ( -7.070 0.000 -0.957) 7.135 7.960 ( 1.045 0.000 3.093) 3.265 8.080 ( -4.328 0.000 10.914) 11.741 8.151 ( 1.553 0.000 -2.950) 3.334 8.181 ( 9.662 0.000 1.228) 9.740 8.304 ( 1.972 0.000 5.507) 5.849 8.404 ( 9.365 0.000 -2.517) 9.697 8.614 ( 10.793 0.000 -2.938) 11.186 9.050 ( -7.462 0.000 -0.192) 7.464 9.060 ( 1.446 0.000 -4.987) 5.193 9.515 ( 4.599 0.000 -6.859) 8.258 9.610 ( -1.474 0.000 -0.478) 1.549 9.692 ( -3.975 0.000 -5.071) 6.443 9.843 ( -3.128 0.000 1.416) 3.434 9.883 ( -7.938 0.000 6.072) 9.993 9.973 ( -2.727 0.000 -4.105) 4.928 10.051 ( -0.754 0.000 1.043) 1.287 10.209 ( -5.764 0.000 4.423) 7.265 10.244 ( 2.854 0.000 2.029) 3.502 10.345 ( -2.634 0.000 2.664) 3.746 10.376 ( 3.153 0.000 6.516) 7.238 10.785 ( 5.032 0.000 1.351) 5.211 11.017 ( 11.182 0.000 4.250) 11.962 11.089 ( 6.254 0.000 2.654) 6.794 11.400 ( -4.134 0.000 -5.492) 6.874 11.468 ( 1.107 0.000 -4.869) 4.993 11.486 ( -2.026 0.000 -0.363) 2.058 11.505 ( 5.183 0.000 -1.875) 5.512 11.673 ( -2.598 0.000 2.561) 3.648 11.695 ( -0.485 0.000 0.979) 1.092 11.809 ( 1.412 0.000 0.499) 1.498 11.882 ( 0.115 0.000 6.198) 6.199 12.008 ( 0.295 0.000 7.216) 7.222 12.286 ( 7.492 0.000 -0.104) 7.493 12.460 ( -8.119 0.000 1.113) 8.195 12.718 ( 5.128 0.000 -1.230) 5.274 12.816 ( 6.132 0.000 -1.605) 6.338 12.895 ( -1.845 0.000 -1.177) 2.188 12.934 ( 3.165 0.000 0.711) 3.243 13.058 ( -1.287 0.000 -1.171) 1.740 13.227 ( 1.239 0.000 -0.839) 1.496 13.884 ( 6.249 0.000 6.835) 9.261 13.919 ( 5.047 0.000 7.289) 8.866 14.245 ( 21.899 0.000 -3.206) 22.132 14.415 ( 23.778 0.000 -5.124) 24.324 14.824 ( 0.309 0.000 -0.086) 0.321 14.894 ( 0.442 0.000 -1.972) 2.021 14.945 ( -0.878 0.000 -6.430) 6.490 15.059 ( -0.283 0.000 -6.821) 6.827 15.664 ( 27.860 0.000 -1.134) 27.883 16.162 ( -10.542 0.000 5.103) 11.712 16.466 ( -3.676 0.000 0.114) 3.678 16.494 ( 0.215 0.000 -5.333) 5.338 16.807 ( -29.275 0.000 -1.730) 29.326 16.886 ( -5.124 0.000 -9.312) 10.629 17.443 ( -18.146 0.000 0.623) 18.156 17.559 ( -17.902 0.000 0.532) 17.910 18.081 ( -9.226 0.000 -3.969) 10.043 18.248 ( -8.465 0.000 -6.421) 10.625 18.377 ( -9.825 0.000 -1.040) 9.880 18.485 ( -10.620 0.000 -6.167) 12.281 ======================= Grid point 30 (14/60) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 13.600 0.000 3.486) 14.039 1.771 ( 19.756 0.000 15.322) 25.002 1.783 ( -2.770 0.000 3.357) 4.352 2.066 ( 10.037 0.000 0.891) 10.076 2.192 ( 21.154 0.000 3.776) 21.489 2.296 ( 12.756 0.000 2.027) 12.916 2.316 ( 15.645 0.000 12.115) 19.788 2.475 ( 10.506 0.000 7.671) 13.009 2.638 ( 25.872 0.000 1.153) 25.897 2.895 ( 3.137 0.000 3.203) 4.483 3.031 ( -0.576 0.000 1.591) 1.692 3.138 ( -6.580 0.000 -4.244) 7.830 3.171 ( -0.067 0.000 -5.105) 5.105 3.227 ( 3.152 0.000 0.360) 3.172 3.363 ( 2.657 0.000 1.040) 2.854 3.423 ( -5.023 0.000 -0.446) 5.043 3.499 ( 12.352 0.000 2.138) 12.536 3.566 ( -16.530 0.000 2.030) 16.655 3.892 ( -2.174 0.000 1.007) 2.396 3.930 ( 5.737 0.000 -3.078) 6.510 3.930 ( -1.867 0.000 -3.086) 3.607 3.957 ( -8.581 0.000 -0.345) 8.588 3.999 ( 1.028 0.000 -0.320) 1.077 4.048 ( 18.101 0.000 0.305) 18.104 4.159 ( -2.408 0.000 6.549) 6.977 4.173 ( 7.987 0.000 -2.774) 8.455 4.276 ( 5.481 0.000 0.785) 5.537 4.500 ( 22.599 0.000 1.249) 22.634 4.554 ( 2.201 0.000 -7.307) 7.631 4.632 ( 9.727 0.000 0.148) 9.728 4.732 ( 8.865 0.000 -3.173) 9.415 4.832 ( -0.617 0.000 5.770) 5.803 4.985 ( 3.618 0.000 -6.303) 7.268 5.156 ( -1.330 0.000 0.370) 1.381 5.176 ( 3.118 0.000 -5.945) 6.713 5.211 ( -0.549 0.000 0.901) 1.055 5.335 ( 6.382 0.000 -3.119) 7.103 5.531 ( -5.232 0.000 -3.467) 6.277 5.577 ( -5.722 0.000 -5.775) 8.130 5.678 ( -5.175 0.000 -0.198) 5.179 5.731 ( -3.907 0.000 3.825) 5.468 5.808 ( -2.143 0.000 2.389) 3.210 5.846 ( -8.655 0.000 -1.752) 8.831 5.895 ( -7.832 0.000 -3.411) 8.542 5.948 ( -1.463 0.000 1.507) 2.100 6.039 ( 1.106 0.000 -0.429) 1.187 6.063 ( -0.025 0.000 -0.365) 0.366 6.210 ( 3.518 0.000 2.620) 4.386 6.407 ( -1.203 0.000 -0.653) 1.369 6.654 ( 0.055 0.000 -0.321) 0.326 6.721 ( -5.742 0.000 -5.376) 7.866 6.815 ( 4.234 0.000 0.048) 4.234 6.854 ( -7.278 0.000 1.802) 7.497 6.923 ( 2.868 0.000 2.275) 3.660 7.210 ( 2.666 0.000 0.823) 2.790 7.216 ( 3.549 0.000 3.719) 5.141 7.339 ( -8.109 0.000 2.828) 8.588 7.396 ( -6.532 0.000 7.829) 10.196 7.578 ( -4.865 0.000 2.928) 5.678 7.611 ( -7.700 0.000 -0.342) 7.707 8.000 ( -0.058 0.000 1.520) 1.521 8.028 ( 0.089 0.000 1.610) 1.613 8.191 ( 3.210 0.000 -3.312) 4.612 8.346 ( 1.573 0.000 4.832) 5.082 8.403 ( 11.846 0.000 1.547) 11.947 8.599 ( 9.124 0.000 -3.557) 9.793 8.827 ( 9.521 0.000 -5.088) 10.795 8.950 ( -1.477 0.000 1.340) 1.994 9.075 ( -0.399 0.000 -5.393) 5.408 9.474 ( -8.686 0.000 -2.337) 8.994 9.485 ( -9.089 0.000 -3.331) 9.680 9.599 ( -7.765 0.000 -1.238) 7.863 9.810 ( 2.562 0.000 3.685) 4.488 9.838 ( 3.581 0.000 1.323) 3.818 9.969 ( 1.576 0.000 -1.556) 2.215 10.031 ( -1.398 0.000 0.854) 1.638 10.102 ( -4.354 0.000 2.929) 5.248 10.268 ( -4.751 0.000 2.592) 5.413 10.337 ( 5.503 0.000 1.189) 5.630 10.449 ( 3.339 0.000 4.411) 5.533 10.918 ( 7.767 0.000 2.205) 8.074 11.164 ( 3.822 0.000 2.803) 4.740 11.251 ( 9.296 0.000 4.533) 10.342 11.302 ( -4.962 0.000 -4.169) 6.481 11.418 ( -4.440 0.000 1.141) 4.584 11.429 ( -2.962 0.000 -0.532) 3.010 11.521 ( -1.940 0.000 -2.352) 3.049 11.615 ( -2.793 0.000 2.747) 3.917 11.653 ( -3.386 0.000 4.140) 5.348 11.799 ( -4.545 0.000 7.039) 8.379 11.917 ( 2.612 0.000 1.164) 2.860 12.012 ( 0.029 0.000 5.974) 5.974 12.390 ( 3.455 0.000 -0.268) 3.466 12.497 ( 10.367 0.000 -0.373) 10.374 12.815 ( -5.518 0.000 0.849) 5.583 12.823 ( 5.109 0.000 -2.045) 5.503 12.936 ( 4.652 0.000 -3.184) 5.637 12.999 ( -4.461 0.000 1.002) 4.572 13.012 ( 4.479 0.000 0.144) 4.482 13.242 ( -0.093 0.000 -1.714) 1.716 14.073 ( 12.119 0.000 1.059) 12.165 14.112 ( 12.273 0.000 2.146) 12.459 14.733 ( 23.356 0.000 -3.019) 23.551 14.785 ( -4.695 0.000 -0.297) 4.704 14.841 ( -5.993 0.000 -1.109) 6.095 14.881 ( 18.298 0.000 -6.128) 19.296 14.956 ( 2.887 0.000 -2.870) 4.070 15.092 ( 4.754 0.000 -2.527) 5.384 15.962 ( -7.178 0.000 4.276) 8.355 16.138 ( 18.062 0.000 -3.563) 18.410 16.282 ( -18.957 0.000 -0.097) 18.957 16.421 ( -0.189 0.000 -0.066) 0.200 16.494 ( 0.815 0.000 -1.866) 2.036 16.774 ( -5.794 0.000 -5.990) 8.334 17.001 ( -24.826 0.000 0.269) 24.828 17.131 ( -23.608 0.000 -0.561) 23.614 17.890 ( -8.548 0.000 -4.008) 9.441 18.050 ( -10.335 0.000 -4.304) 11.196 18.171 ( -9.383 0.000 -4.594) 10.447 18.250 ( -11.219 0.000 -5.186) 12.359 ======================= Grid point 31 (15/60) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 8.298 0.000 3.033) 8.835 1.704 ( -4.998 0.000 3.186) 5.927 2.109 ( 11.559 0.000 8.463) 14.326 2.198 ( 2.132 0.000 2.630) 3.386 2.563 ( 13.842 0.000 0.149) 13.843 2.599 ( 14.051 0.000 2.341) 14.245 2.664 ( 18.201 0.000 6.800) 19.430 2.718 ( 11.920 0.000 4.458) 12.727 2.841 ( 4.755 0.000 -1.916) 5.127 2.928 ( -10.280 0.000 -0.108) 10.280 2.979 ( -5.800 0.000 0.152) 5.802 3.023 ( -9.807 0.000 3.212) 10.320 3.040 ( -9.995 0.000 -1.513) 10.108 3.054 ( -13.275 0.000 0.528) 13.286 3.377 ( 12.245 0.000 4.595) 13.079 3.440 ( 3.777 0.000 -1.668) 4.129 3.485 ( 2.068 0.000 0.591) 2.151 3.718 ( -14.494 0.000 2.512) 14.710 3.726 ( 6.700 0.000 -2.065) 7.011 3.816 ( -3.993 0.000 -2.757) 4.852 3.935 ( 4.219 0.000 -0.458) 4.244 3.965 ( 0.768 0.000 -1.288) 1.500 3.993 ( -1.672 0.000 -1.632) 2.336 4.055 ( -5.944 0.000 4.502) 7.456 4.335 ( 5.234 0.000 -0.838) 5.300 4.369 ( 1.961 0.000 0.710) 2.085 4.442 ( 16.621 0.000 -2.070) 16.749 4.622 ( 1.560 0.000 -3.098) 3.469 4.809 ( -1.711 0.000 4.738) 5.037 4.857 ( -9.486 0.000 -0.143) 9.487 4.864 ( 15.387 0.000 -2.584) 15.602 4.937 ( 13.041 0.000 -2.548) 13.287 5.028 ( 21.610 0.000 -0.525) 21.616 5.102 ( -6.880 0.000 -7.560) 10.223 5.162 ( 4.816 0.000 -3.858) 6.171 5.269 ( -3.294 0.000 -3.737) 4.982 5.294 ( -16.728 0.000 -1.140) 16.767 5.404 ( -8.506 0.000 -0.994) 8.564 5.493 ( 3.468 0.000 4.441) 5.635 5.606 ( -2.896 0.000 -6.044) 6.702 5.609 ( -6.696 0.000 5.751) 8.827 5.691 ( -6.906 0.000 -6.840) 9.720 5.822 ( 2.449 0.000 -1.341) 2.793 5.870 ( 8.752 0.000 1.806) 8.936 5.886 ( -3.478 0.000 -3.827) 5.172 6.029 ( -4.661 0.000 0.513) 4.689 6.193 ( 12.587 0.000 1.984) 12.743 6.282 ( 3.717 0.000 1.957) 4.201 6.361 ( -3.544 0.000 0.769) 3.627 6.486 ( -14.494 0.000 -1.963) 14.627 6.665 ( 1.205 0.000 1.394) 1.843 6.720 ( -4.723 0.000 1.961) 5.114 6.972 ( 8.971 0.000 1.730) 9.137 7.031 ( 6.752 0.000 3.467) 7.590 7.157 ( -8.846 0.000 2.111) 9.094 7.172 ( -6.240 0.000 4.414) 7.643 7.324 ( 5.764 0.000 1.554) 5.970 7.364 ( 3.367 0.000 4.034) 5.254 7.458 ( -7.199 0.000 0.295) 7.205 7.464 ( -5.724 0.000 4.429) 7.238 7.992 ( 0.441 0.000 0.885) 0.989 8.017 ( -1.508 0.000 -1.441) 2.086 8.279 ( 4.445 0.000 -1.748) 4.776 8.346 ( -1.786 0.000 1.624) 2.414 8.641 ( 10.322 0.000 -0.451) 10.332 8.736 ( 2.503 0.000 -3.722) 4.485 8.969 ( 3.803 0.000 -5.777) 6.916 9.017 ( 7.961 0.000 2.612) 8.378 9.034 ( -3.349 0.000 -5.536) 6.470 9.240 ( -12.808 0.000 1.349) 12.879 9.346 ( -1.369 0.000 0.070) 1.371 9.430 ( -7.620 0.000 -0.527) 7.638 9.903 ( 4.970 0.000 0.568) 5.002 9.926 ( 4.170 0.000 0.758) 4.238 9.987 ( -3.086 0.000 0.494) 3.126 9.992 ( -1.596 0.000 -0.491) 1.670 10.063 ( 2.500 0.000 2.425) 3.483 10.160 ( -5.569 0.000 2.233) 6.000 10.441 ( 4.150 0.000 0.237) 4.157 10.487 ( -0.078 0.000 1.425) 1.427 11.080 ( 7.411 0.000 2.442) 7.803 11.204 ( -4.944 0.000 -0.398) 4.960 11.234 ( 3.613 0.000 2.843) 4.597 11.320 ( -4.770 0.000 2.378) 5.329 11.397 ( 0.777 0.000 1.302) 1.517 11.425 ( 7.662 0.000 4.569) 8.921 11.458 ( -4.004 0.000 0.860) 4.095 11.561 ( -5.611 0.000 4.567) 7.235 11.589 ( 0.941 0.000 2.131) 2.330 11.665 ( -6.340 0.000 5.274) 8.246 11.969 ( 2.250 0.000 1.350) 2.624 12.003 ( -1.045 0.000 3.492) 3.645 12.520 ( 7.922 0.000 0.008) 7.922 12.681 ( -7.442 0.000 0.776) 7.482 12.705 ( 9.561 0.000 0.690) 9.586 12.879 ( -7.301 0.000 1.392) 7.432 12.920 ( 4.057 0.000 -2.577) 4.806 12.973 ( -0.788 0.000 -2.226) 2.362 13.120 ( 5.488 0.000 -2.801) 6.162 13.211 ( -3.105 0.000 -2.801) 4.182 14.354 ( 14.598 0.000 -1.054) 14.636 14.382 ( 13.618 0.000 -0.643) 13.633 14.624 ( -10.903 0.000 -1.092) 10.958 14.650 ( -12.144 0.000 -1.166) 12.200 15.005 ( 6.054 0.000 -1.684) 6.284 15.062 ( 3.113 0.000 -0.641) 3.179 15.123 ( 6.688 0.000 -2.057) 6.997 15.199 ( 0.306 0.000 0.275) 0.411 15.995 ( 13.719 0.000 2.092) 13.878 16.201 ( 12.237 0.000 -2.394) 12.469 16.394 ( 7.163 0.000 -2.253) 7.509 16.444 ( 1.103 0.000 -0.585) 1.248 16.460 ( -26.914 0.000 0.413) 26.917 16.544 ( 3.990 0.000 -1.208) 4.169 16.626 ( -24.810 0.000 -1.807) 24.876 16.651 ( -6.089 0.000 -2.650) 6.640 17.780 ( -1.143 0.000 -3.744) 3.915 17.855 ( -7.752 0.000 -3.086) 8.344 18.038 ( -2.810 0.000 -6.895) 7.445 18.069 ( -5.710 0.000 -5.774) 8.121 ======================= Grid point 36 (16/60) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 14.531 22.281) 26.600 0.764 ( 0.000 15.956 21.055) 26.418 1.041 ( 0.000 -9.828 22.769) 24.800 1.098 ( 0.000 4.873 26.273) 26.721 1.204 ( 0.000 4.008 14.034) 14.595 1.681 ( 0.000 -6.765 1.201) 6.870 1.946 ( 0.000 -15.874 13.465) 20.816 1.951 ( 0.000 0.049 6.075) 6.075 2.271 ( 0.000 9.354 11.055) 14.481 2.485 ( 0.000 -9.966 6.747) 12.036 2.755 ( 0.000 9.759 -11.818) 15.327 2.856 ( 0.000 -2.425 -0.016) 2.425 3.021 ( 0.000 9.509 -4.090) 10.352 3.089 ( 0.000 2.630 2.229) 3.448 3.121 ( 0.000 7.549 5.820) 9.532 3.160 ( 0.000 4.666 2.477) 5.283 3.361 ( 0.000 -3.241 1.526) 3.583 3.392 ( 0.000 -4.594 -4.976) 6.772 3.767 ( 0.000 2.861 -11.064) 11.428 3.799 ( 0.000 -0.537 -4.440) 4.472 3.969 ( 0.000 0.521 -4.541) 4.571 3.981 ( 0.000 -0.726 -4.347) 4.407 4.045 ( 0.000 2.892 -2.884) 4.084 4.046 ( 0.000 1.191 -0.848) 1.462 4.140 ( 0.000 2.938 5.833) 6.531 4.158 ( 0.000 1.677 -2.526) 3.032 4.221 ( 0.000 -4.392 -3.595) 5.676 4.227 ( 0.000 -4.112 1.579) 4.405 4.251 ( 0.000 0.722 -0.871) 1.131 4.362 ( 0.000 -8.200 -2.076) 8.459 4.455 ( 0.000 4.959 -0.234) 4.965 4.566 ( 0.000 -5.627 0.537) 5.652 4.861 ( 0.000 6.403 -0.424) 6.417 4.999 ( 0.000 -6.845 -2.574) 7.313 5.090 ( 0.000 11.440 -9.468) 14.850 5.269 ( 0.000 -4.383 -6.637) 7.954 5.670 ( 0.000 1.805 -2.217) 2.859 5.702 ( 0.000 -1.675 1.254) 2.093 5.726 ( 0.000 0.942 0.578) 1.105 5.791 ( 0.000 -3.695 0.902) 3.803 5.913 ( 0.000 2.161 -1.316) 2.530 5.968 ( 0.000 -2.904 -0.897) 3.040 6.023 ( 0.000 11.618 -2.750) 11.939 6.037 ( 0.000 5.544 4.101) 6.896 6.101 ( 0.000 6.437 1.514) 6.612 6.156 ( 0.000 1.344 -4.376) 4.578 6.235 ( 0.000 -3.830 1.446) 4.094 6.245 ( 0.000 -2.004 -2.696) 3.359 6.317 ( 0.000 -6.033 1.778) 6.290 6.336 ( 0.000 -8.401 -4.638) 9.596 6.630 ( 0.000 5.618 -6.094) 8.288 6.709 ( 0.000 -2.447 -3.677) 4.417 6.938 ( 0.000 0.937 0.553) 1.088 6.955 ( 0.000 -0.801 1.811) 1.980 7.184 ( 0.000 11.744 -1.620) 11.855 7.273 ( 0.000 5.829 4.160) 7.161 7.560 ( 0.000 -2.465 -2.458) 3.481 7.727 ( 0.000 -15.545 3.552) 15.946 7.770 ( 0.000 0.425 1.099) 1.178 7.845 ( 0.000 -5.942 -0.130) 5.944 8.039 ( 0.000 3.197 9.344) 9.875 8.067 ( 0.000 1.284 1.869) 2.268 8.120 ( 0.000 3.696 5.115) 6.311 8.193 ( 0.000 0.977 -0.470) 1.084 8.237 ( 0.000 -2.097 -0.857) 2.266 8.310 ( 0.000 -15.981 18.117) 24.158 8.498 ( 0.000 10.900 6.687) 12.788 8.827 ( 0.000 -16.033 -0.020) 16.033 9.246 ( 0.000 2.106 -2.227) 3.065 9.274 ( 0.000 -1.087 -4.063) 4.206 9.592 ( 0.000 4.047 0.557) 4.085 9.714 ( 0.000 -7.630 0.682) 7.660 10.032 ( 0.000 6.824 -6.180) 9.207 10.092 ( 0.000 2.705 0.661) 2.784 10.115 ( 0.000 2.346 1.298) 2.681 10.177 ( 0.000 -3.445 1.064) 3.605 10.352 ( 0.000 0.714 5.930) 5.973 10.383 ( 0.000 -2.045 -0.050) 2.046 10.416 ( 0.000 0.161 2.971) 2.976 10.420 ( 0.000 0.051 2.132) 2.132 10.634 ( 0.000 0.795 3.214) 3.311 10.641 ( 0.000 -0.157 5.399) 5.401 10.935 ( 0.000 2.099 -0.794) 2.244 10.975 ( 0.000 -1.562 -2.323) 2.799 11.274 ( 0.000 18.316 -19.156) 26.503 11.459 ( 0.000 -4.292 -7.358) 8.518 11.574 ( 0.000 6.928 -3.358) 7.700 11.676 ( 0.000 -0.326 -1.345) 1.384 11.725 ( 0.000 -0.201 2.245) 2.254 11.771 ( 0.000 -5.113 -6.084) 7.947 11.942 ( 0.000 -0.386 9.497) 9.505 11.951 ( 0.000 -1.483 6.097) 6.275 12.538 ( 0.000 3.229 -4.711) 5.711 12.595 ( 0.000 -3.061 -3.187) 4.419 12.687 ( 0.000 9.388 -5.932) 11.106 12.747 ( 0.000 3.548 -1.721) 3.943 12.806 ( 0.000 -2.177 -1.432) 2.606 12.826 ( 0.000 -4.414 -2.618) 5.132 13.074 ( 0.000 3.669 -4.677) 5.944 13.149 ( 0.000 -3.867 -0.217) 3.873 13.791 ( 0.000 1.011 -3.791) 3.924 13.816 ( 0.000 -1.317 -4.314) 4.511 14.167 ( 0.000 3.450 -2.457) 4.236 14.224 ( 0.000 -1.779 -5.373) 5.660 14.503 ( 0.000 8.436 19.519) 21.264 14.771 ( 0.000 -7.065 4.642) 8.454 14.910 ( 0.000 -2.131 7.149) 7.460 14.992 ( 0.000 -15.693 17.448) 23.467 15.031 ( 0.000 -9.815 10.741) 14.550 15.066 ( 0.000 -1.918 -8.315) 8.533 16.600 ( 0.000 0.796 1.650) 1.832 16.604 ( 0.000 1.390 -0.311) 1.424 17.388 ( 0.000 16.073 -16.799) 23.250 17.563 ( 0.000 -3.888 -10.918) 11.589 17.858 ( 0.000 2.058 1.429) 2.506 17.910 ( 0.000 -2.673 1.228) 2.942 18.292 ( 0.000 0.747 -2.600) 2.705 18.312 ( 0.000 -1.064 -1.446) 1.795 18.602 ( 0.000 -1.084 2.425) 2.656 18.604 ( 0.000 -0.665 1.846) 1.962 ======================= Grid point 37 (17/60) ======================= q-point: ( 0.11 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 12.706 17.098 12.464) 24.681 1.032 ( 16.634 6.022 24.601) 30.301 1.180 ( 12.810 -9.927 18.840) 24.852 1.313 ( 15.656 -13.051 15.535) 25.628 1.452 ( 24.680 16.929 11.673) 32.124 1.798 ( 10.846 1.075 3.825) 11.551 1.987 ( 4.324 2.450 7.513) 9.008 2.048 ( 9.519 -15.623 10.312) 21.001 2.351 ( 6.399 7.337 7.577) 12.336 2.457 ( -4.326 2.937 -0.155) 5.231 2.782 ( 4.778 -0.507 -0.460) 4.826 2.861 ( 1.573 -4.926 -0.890) 5.247 3.033 ( 3.990 5.741 2.316) 7.365 3.109 ( 2.644 3.131 -0.027) 4.098 3.164 ( 4.614 5.385 4.725) 8.521 3.218 ( 4.775 1.066 4.228) 6.466 3.399 ( 3.632 -2.168 -2.776) 5.059 3.495 ( 9.754 -5.615 1.292) 11.329 3.749 ( 0.131 5.420 -5.875) 7.995 3.808 ( 0.706 -0.036 -4.638) 4.691 3.966 ( -0.082 0.213 -4.114) 4.120 3.968 ( -0.858 -0.279 -4.153) 4.250 4.051 ( -0.325 2.809 -0.186) 2.834 4.064 ( -0.268 1.020 -2.987) 3.168 4.112 ( -2.484 -1.172 0.229) 2.756 4.153 ( -3.726 -2.875 0.539) 4.737 4.183 ( 1.942 2.797 -1.524) 3.731 4.247 ( -0.323 1.667 0.959) 1.950 4.270 ( 3.582 -5.382 -0.323) 6.473 4.382 ( 2.058 -8.737 -1.236) 9.061 4.546 ( 8.002 5.922 0.456) 9.965 4.657 ( 8.003 -4.783 0.160) 9.325 4.844 ( -1.204 8.387 -2.137) 8.739 4.996 ( -0.079 -3.878 -3.733) 5.383 5.073 ( -0.917 8.263 -5.532) 9.987 5.256 ( -0.762 -5.465 -5.589) 7.853 5.601 ( -4.676 -0.752 7.516) 8.884 5.636 ( -6.758 -2.279 4.217) 8.286 5.696 ( -3.043 0.000 -2.469) 3.919 5.727 ( -1.956 -2.022 -5.307) 6.006 5.922 ( -1.149 0.150 -4.020) 4.184 5.933 ( -1.880 -0.393 -2.143) 2.878 5.997 ( -1.982 8.416 -0.424) 8.657 6.034 ( -1.648 3.969 -1.797) 4.658 6.103 ( 0.777 0.379 2.856) 2.984 6.148 ( -3.589 -1.635 3.561) 5.313 6.198 ( -0.975 3.779 -2.325) 4.542 6.270 ( -1.613 1.250 -3.975) 4.468 6.358 ( 0.444 -6.412 -1.337) 6.565 6.410 ( 6.781 -7.297 -3.722) 10.634 6.715 ( 5.964 5.259 -8.166) 11.398 6.779 ( 5.207 -1.055 -5.200) 7.434 6.927 ( -0.467 1.812 0.834) 2.048 6.963 ( 1.768 -1.936 1.492) 3.016 7.152 ( -2.757 6.671 1.709) 7.418 7.239 ( -3.508 2.605 3.095) 5.355 7.547 ( -1.513 -1.428 0.815) 2.235 7.653 ( -5.451 -6.348 4.449) 9.477 7.778 ( -1.390 -1.167 2.325) 2.950 7.851 ( 1.763 -6.989 -0.569) 7.230 7.940 ( -6.120 2.730 7.024) 9.708 7.989 ( -5.321 -0.958 6.241) 8.257 8.134 ( -0.050 0.534 6.436) 6.459 8.199 ( -4.477 -6.339 9.831) 12.525 8.279 ( 6.407 4.466 -1.277) 7.914 8.349 ( 7.311 -0.599 -1.622) 7.513 8.467 ( 1.811 13.916 2.623) 14.276 8.816 ( -2.162 -17.905 -0.399) 18.039 9.241 ( 0.039 4.053 -3.156) 5.137 9.331 ( 4.191 -4.468 -4.441) 7.566 9.607 ( 1.258 3.342 0.541) 3.612 9.712 ( -0.403 -6.577 0.304) 6.596 9.963 ( -5.281 6.743 -4.539) 9.694 10.046 ( -5.159 0.196 1.279) 5.319 10.112 ( -0.737 3.104 1.185) 3.403 10.164 ( -1.599 0.355 2.189) 2.734 10.210 ( -8.019 1.111 -0.341) 8.103 10.298 ( -4.582 -4.112 3.871) 7.273 10.350 ( -1.707 1.683 4.770) 5.338 10.374 ( -1.318 -0.706 2.507) 2.919 10.754 ( 7.731 1.756 3.495) 8.664 10.776 ( 10.279 -0.494 4.575) 11.262 11.115 ( 4.322 10.273 -1.505) 11.246 11.209 ( 16.691 -0.967 -1.430) 16.780 11.348 ( 6.779 2.320 -13.183) 15.004 11.434 ( -2.395 -4.114 -7.596) 8.965 11.591 ( 1.847 6.939 -3.572) 8.020 11.679 ( 0.387 -0.677 -1.404) 1.606 11.713 ( -1.073 -0.009 2.024) 2.291 11.762 ( -0.213 -4.571 -3.574) 5.806 11.920 ( -1.188 1.272 7.712) 7.906 11.964 ( 0.594 -2.648 6.894) 7.409 12.367 ( -9.592 9.330 1.261) 13.441 12.542 ( -7.117 -7.091 -1.640) 10.180 12.686 ( 1.142 0.905 -0.700) 1.616 12.702 ( 1.872 -0.521 -0.844) 2.119 12.860 ( 1.814 0.276 -1.626) 2.452 12.877 ( 2.981 -1.017 -1.513) 3.494 13.105 ( 1.725 3.596 -3.933) 5.601 13.170 ( 1.775 -2.834 -1.658) 3.732 13.873 ( -2.936 0.345 11.266) 11.647 13.886 ( 2.129 -0.819 4.758) 5.276 13.964 ( 1.194 1.485 3.060) 3.605 13.992 ( 9.495 -0.951 -1.466) 9.654 14.811 ( 3.348 2.019 -1.709) 4.267 14.834 ( 4.149 0.154 -2.458) 4.825 15.000 ( -1.079 2.450 -8.039) 8.473 15.046 ( 0.018 -1.895 -7.939) 8.162 15.199 ( 30.515 12.692 7.455) 33.880 15.670 ( 33.067 -33.685 1.694) 47.234 16.563 ( -3.388 0.951 1.178) 3.711 16.569 ( -3.256 1.434 -1.031) 3.703 17.167 ( -16.611 11.110 -9.608) 22.174 17.318 ( -21.470 -4.337 -7.254) 23.073 17.756 ( -9.706 2.330 1.138) 10.046 17.811 ( -9.553 -2.734 1.076) 9.995 18.260 ( -4.123 2.445 -4.270) 6.419 18.327 ( -1.336 -3.410 -7.031) 7.928 18.537 ( -5.886 -0.012 1.542) 6.085 18.566 ( -4.569 -3.253 0.975) 5.692 ======================= Grid point 38 (18/60) ======================= q-point: ( 0.22 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 17.209 14.064 5.548) 22.907 1.394 ( 18.519 3.176 18.260) 26.201 1.495 ( 16.474 -11.077 10.783) 22.591 1.632 ( 16.416 -14.735 10.841) 24.579 1.991 ( 14.248 6.489 5.234) 16.508 2.045 ( 9.839 4.815 6.195) 12.584 2.153 ( 24.473 15.017 10.718) 30.649 2.322 ( 8.472 9.952 0.044) 13.069 2.384 ( 5.026 1.433 2.077) 5.624 2.578 ( 15.339 -17.333 4.970) 23.673 2.825 ( 1.442 -0.942 1.338) 2.181 2.922 ( 1.958 -8.541 3.478) 9.428 3.193 ( 3.945 1.947 -2.423) 5.022 3.221 ( 9.340 -1.319 0.032) 9.432 3.280 ( 7.451 4.429 3.450) 9.330 3.322 ( 5.361 -2.719 1.763) 6.265 3.516 ( 5.471 2.329 0.122) 5.947 3.623 ( -1.065 -3.494 -0.179) 3.657 3.840 ( -0.721 2.363 -3.096) 3.961 3.854 ( 8.712 4.539 -1.476) 9.934 3.936 ( -3.190 -0.451 -3.326) 4.631 3.978 ( 4.266 -1.755 -4.191) 6.232 4.017 ( -1.865 1.023 0.247) 2.142 4.019 ( -0.237 -0.522 -1.072) 1.216 4.065 ( 1.184 -0.841 0.653) 1.593 4.123 ( -0.645 -4.074 2.937) 5.063 4.236 ( 4.059 8.466 -0.905) 9.432 4.269 ( 3.135 3.199 0.911) 4.571 4.358 ( 4.742 -5.061 -1.319) 7.060 4.447 ( 4.564 -9.968 -0.608) 10.980 4.744 ( 5.942 6.628 -2.996) 9.393 4.783 ( 5.591 1.602 -2.239) 6.232 4.896 ( 6.639 3.516 0.315) 7.519 5.022 ( 3.589 -3.456 -3.507) 6.093 5.088 ( 4.187 7.510 -2.045) 8.838 5.253 ( 0.739 -4.431 -4.455) 6.326 5.441 ( -10.550 0.663 2.076) 10.773 5.521 ( -3.185 -8.053 4.215) 9.631 5.640 ( -3.031 1.873 -3.259) 4.828 5.695 ( -1.901 -3.252 -1.738) 4.148 5.859 ( -4.727 1.224 -4.490) 6.633 5.883 ( -4.188 -0.810 -2.066) 4.740 5.934 ( -2.952 3.114 1.077) 4.424 5.998 ( -3.681 0.043 0.416) 3.705 6.044 ( -5.863 -0.172 0.595) 5.896 6.057 ( -4.804 -2.005 -1.008) 5.302 6.182 ( 0.098 7.569 -1.309) 7.682 6.280 ( 2.125 7.490 -0.166) 7.787 6.357 ( -0.331 -4.868 -0.961) 4.973 6.486 ( 2.119 -9.132 -0.897) 9.417 6.790 ( 2.146 4.555 -3.379) 6.064 6.841 ( 1.149 -0.538 -4.219) 4.405 6.920 ( -2.086 3.912 -2.202) 4.950 6.985 ( -3.566 -2.311 0.055) 4.250 7.127 ( 2.446 0.894 2.024) 3.298 7.172 ( -0.723 -1.869 3.704) 4.212 7.475 ( -5.266 1.004 5.923) 7.989 7.538 ( -6.083 -3.169 6.024) 9.129 7.716 ( -4.546 4.883 1.364) 6.810 7.772 ( -7.271 0.003 1.073) 7.350 7.943 ( 1.977 -1.765 3.858) 4.680 7.974 ( 5.639 -6.688 0.381) 8.757 8.097 ( -1.897 2.625 6.043) 6.856 8.183 ( 1.224 -4.993 3.138) 6.023 8.411 ( 4.992 9.907 -3.422) 11.609 8.507 ( 9.002 5.657 -1.187) 10.698 8.587 ( 8.992 -1.407 -1.236) 9.185 8.766 ( -1.654 -14.555 0.299) 14.652 9.257 ( 1.338 8.632 -3.781) 9.519 9.419 ( 3.867 -7.476 -5.444) 10.024 9.617 ( -1.801 1.204 0.313) 2.188 9.674 ( -3.909 -3.541 -1.053) 5.378 9.871 ( -3.197 4.539 -1.087) 5.657 9.912 ( -6.227 0.523 1.688) 6.473 10.005 ( -7.469 3.280 1.678) 8.328 10.113 ( -3.627 -1.201 -0.973) 3.942 10.154 ( 0.218 0.942 2.627) 2.800 10.254 ( 0.371 -1.714 0.885) 1.965 10.354 ( 1.936 0.232 6.329) 6.622 10.370 ( 0.576 0.354 3.736) 3.796 10.895 ( 5.577 7.718 1.685) 9.670 10.994 ( 10.039 -2.594 3.985) 11.108 11.157 ( 1.843 8.132 -1.304) 8.439 11.350 ( -3.691 -6.895 -7.040) 10.522 11.416 ( -0.358 -0.808 -2.620) 2.765 11.438 ( 3.115 -3.126 -2.260) 4.959 11.611 ( -1.229 5.177 0.307) 5.330 11.668 ( -1.959 -0.957 0.680) 2.284 11.718 ( 1.494 2.789 2.454) 4.004 11.782 ( 1.376 -2.306 1.863) 3.268 11.907 ( 0.001 2.012 6.140) 6.461 11.966 ( -0.550 -3.509 6.139) 7.093 12.304 ( 3.694 2.182 0.107) 4.292 12.384 ( -4.495 -5.409 0.760) 7.074 12.761 ( 5.346 2.920 -1.125) 6.194 12.804 ( 5.932 -1.294 -1.373) 6.225 12.869 ( -0.410 0.324 0.229) 0.571 12.915 ( 0.844 -2.948 0.454) 3.100 13.121 ( -0.136 4.910 -1.561) 5.154 13.202 ( 1.033 -2.652 -1.472) 3.204 13.892 ( 6.033 0.692 7.068) 9.318 13.908 ( 5.566 -0.873 7.317) 9.235 14.282 ( 22.024 3.459 -3.732) 22.604 14.365 ( 22.967 -4.173 -4.697) 23.811 14.841 ( 0.287 1.561 -0.193) 1.598 14.875 ( 0.183 -1.536 -1.298) 2.019 14.977 ( -0.766 2.586 -6.320) 6.872 15.031 ( -0.488 -2.447 -6.739) 7.186 15.790 ( 22.690 11.333 -1.379) 25.400 16.038 ( 4.427 -11.182 1.167) 12.083 16.480 ( -4.058 1.117 -0.240) 4.216 16.496 ( -3.001 -0.211 -2.528) 3.930 16.819 ( -24.145 1.262 -3.221) 24.392 16.858 ( -11.955 -2.277 -6.951) 14.015 17.470 ( -18.056 2.507 0.577) 18.239 17.528 ( -17.937 -2.749 0.532) 18.154 18.125 ( -8.575 4.325 -5.345) 10.991 18.224 ( -7.840 -3.615 -8.390) 12.039 18.369 ( -10.162 0.157 0.320) 10.168 18.413 ( -9.939 -4.296 -0.739) 10.853 ======================= Grid point 39 (19/60) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 14.032 13.557 2.018) 19.615 1.731 ( 12.177 -3.100 5.579) 13.748 1.822 ( 15.248 -1.032 11.035) 18.851 1.923 ( 8.960 -9.861 7.585) 15.332 2.176 ( 14.390 6.490 4.176) 16.329 2.314 ( 14.322 -2.621 5.420) 15.536 2.427 ( 7.471 6.458 1.930) 10.062 2.510 ( 7.572 0.139 4.652) 8.888 2.726 ( 18.276 7.127 -0.152) 19.617 2.876 ( 8.595 1.418 4.061) 9.611 2.931 ( 7.230 -11.331 1.628) 13.540 2.971 ( 7.833 -6.889 0.658) 10.452 3.205 ( -3.043 4.639 -2.358) 6.028 3.293 ( -0.268 -3.006 -1.813) 3.521 3.381 ( -6.027 5.479 2.617) 8.555 3.413 ( -0.257 0.968 0.836) 1.305 3.471 ( -3.244 -3.016 0.977) 4.536 3.527 ( -3.358 -6.077 4.013) 8.019 3.855 ( -2.242 0.185 -0.646) 2.340 3.888 ( 2.391 -1.034 -1.992) 3.279 3.910 ( -1.744 -0.851 -2.150) 2.896 3.934 ( -2.735 -1.403 -4.476) 5.429 4.045 ( 0.606 2.488 1.637) 3.039 4.092 ( 1.262 -3.259 3.288) 4.798 4.163 ( 6.754 4.167 -1.992) 8.182 4.186 ( 8.307 0.843 -0.138) 8.351 4.377 ( 6.675 7.253 0.761) 9.886 4.496 ( 13.757 -2.550 -2.085) 14.146 4.526 ( 18.387 0.991 0.294) 18.416 4.585 ( 10.265 -6.772 0.599) 12.312 4.761 ( 1.117 7.283 -5.921) 9.452 4.898 ( 0.632 -5.189 -6.167) 8.084 4.979 ( 1.879 6.644 1.566) 7.080 5.099 ( 0.919 -4.259 -0.767) 4.424 5.234 ( -0.683 2.384 0.146) 2.484 5.268 ( 1.426 2.607 -3.064) 4.268 5.333 ( 7.266 3.498 -0.348) 8.072 5.494 ( 1.548 -6.852 -3.308) 7.765 5.566 ( -3.984 1.332 -0.380) 4.218 5.641 ( -3.976 -3.853 -1.697) 5.791 5.721 ( -8.102 0.698 -1.887) 8.348 5.758 ( -7.575 -1.887 0.257) 7.811 5.843 ( -7.351 0.468 0.363) 7.375 5.876 ( -7.863 -2.111 2.239) 8.444 5.955 ( -1.592 0.705 -3.442) 3.858 5.980 ( 0.473 -2.218 -2.114) 3.100 6.195 ( 0.189 8.553 0.314) 8.561 6.334 ( 2.417 9.269 2.320) 9.856 6.346 ( -0.563 -5.800 -0.519) 5.851 6.523 ( 1.622 -9.030 0.920) 9.220 6.766 ( -8.767 2.618 -2.990) 9.626 6.821 ( -7.468 -2.307 -0.878) 7.865 6.875 ( 3.609 3.011 1.765) 5.020 6.915 ( 3.524 -1.001 1.909) 4.131 7.198 ( 3.365 0.227 1.280) 3.608 7.218 ( 3.050 -1.010 0.806) 3.312 7.356 ( -5.889 2.696 5.652) 8.596 7.405 ( -6.341 -1.011 6.140) 8.884 7.599 ( -6.496 1.642 2.627) 7.197 7.616 ( -7.810 0.086 1.306) 7.919 8.015 ( 2.538 0.188 -0.754) 2.654 8.041 ( 1.190 2.291 0.613) 2.654 8.108 ( 2.736 -3.154 -0.265) 4.184 8.210 ( 1.030 -8.396 3.208) 9.047 8.529 ( 7.918 8.500 -0.011) 11.617 8.700 ( 8.003 -0.179 -3.440) 8.712 8.740 ( 6.327 -2.466 -1.102) 6.879 8.831 ( 8.410 -3.478 -1.873) 9.291 9.272 ( -0.497 10.821 -4.018) 11.553 9.435 ( -4.137 -4.639 -4.881) 7.903 9.483 ( -9.911 0.826 -0.171) 9.947 9.553 ( -7.298 -5.767 0.209) 9.304 9.825 ( -0.868 5.764 1.769) 6.092 9.854 ( -0.514 1.981 1.916) 2.803 9.908 ( -1.085 -3.360 0.676) 3.595 10.023 ( -4.239 -7.231 -0.555) 8.400 10.178 ( 1.897 7.796 1.611) 8.184 10.290 ( 1.920 1.265 0.507) 2.354 10.377 ( 0.514 0.991 3.453) 3.629 10.412 ( 2.648 -1.775 4.116) 5.206 10.996 ( 5.071 7.689 0.993) 9.264 11.152 ( 4.718 -4.732 2.070) 6.995 11.214 ( 3.567 0.811 1.094) 3.818 11.275 ( -2.270 -3.058 -3.533) 5.195 11.370 ( -3.385 -0.068 0.860) 3.493 11.428 ( -2.584 -4.396 -0.372) 5.112 11.545 ( -4.805 2.885 3.974) 6.871 11.613 ( -3.947 -2.810 3.664) 6.075 11.712 ( -1.219 6.664 4.071) 7.903 11.799 ( -0.035 1.791 1.854) 2.578 11.893 ( -1.072 -2.674 5.036) 5.802 11.951 ( -0.796 -5.164 4.635) 6.985 12.409 ( 6.364 2.147 -0.484) 6.734 12.464 ( 9.560 -2.760 -0.482) 9.962 12.819 ( -3.323 1.887 0.467) 3.850 12.881 ( 5.115 4.220 -1.608) 6.823 12.888 ( -0.691 -3.875 -0.215) 3.942 12.957 ( 5.430 -2.853 -1.200) 6.251 13.107 ( -1.105 6.070 -0.694) 6.209 13.208 ( -0.553 -3.502 -1.472) 3.839 14.082 ( 12.162 0.871 1.346) 12.267 14.102 ( 12.239 -0.897 1.889) 12.416 14.754 ( 16.215 1.951 -3.815) 16.771 14.794 ( 2.452 -0.760 -2.888) 3.864 14.822 ( 1.882 0.471 -0.708) 2.065 14.863 ( 12.022 -2.059 -2.755) 12.504 14.988 ( 2.653 2.923 -2.996) 4.955 15.055 ( 3.949 -3.219 -2.754) 5.792 15.976 ( -5.736 1.552 3.702) 7.001 16.036 ( 0.363 -4.806 1.422) 5.025 16.417 ( -0.832 4.098 -3.348) 5.357 16.464 ( -0.242 -0.045 -2.446) 2.459 16.508 ( -2.874 8.338 -1.614) 8.966 16.700 ( -4.710 -7.339 -5.557) 10.340 17.032 ( -24.517 2.808 0.086) 24.678 17.096 ( -23.921 -3.047 -0.328) 24.116 17.945 ( -8.048 5.232 -5.548) 11.087 18.050 ( -8.289 -2.386 -7.548) 11.462 18.145 ( -10.985 -0.544 -2.021) 11.183 18.193 ( -10.700 -3.952 -2.079) 11.595 ======================= Grid point 40 (20/60) ======================= q-point: ( 0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.839 14.333 1.696) 16.425 1.834 ( -1.122 10.590 3.004) 11.065 2.041 ( 5.567 -8.784 5.005) 11.541 2.060 ( 4.239 -10.531 3.325) 11.829 2.546 ( 18.161 0.173 1.607) 18.232 2.602 ( 12.843 -2.269 2.149) 13.218 2.641 ( 13.021 -0.205 2.503) 13.261 2.702 ( 10.673 -3.421 4.336) 12.018 2.806 ( -2.703 3.559 2.778) 5.262 2.901 ( -5.658 -4.349 3.578) 7.984 2.977 ( -12.983 0.191 0.736) 13.005 3.012 ( -12.198 -2.200 1.697) 12.510 3.131 ( -0.707 9.711 -1.689) 9.882 3.172 ( -2.566 8.589 -0.692) 8.991 3.341 ( 4.464 -7.254 -1.695) 8.684 3.366 ( 1.449 -6.776 0.639) 6.958 3.491 ( 7.138 4.051 3.658) 8.986 3.614 ( 5.204 -7.701 2.994) 9.765 3.710 ( -10.464 -0.008 2.188) 10.691 3.741 ( -7.247 -3.293 0.988) 8.022 3.954 ( 2.143 2.662 -1.963) 3.941 4.003 ( -0.243 2.002 -1.491) 2.508 4.015 ( 0.842 -0.467 0.139) 0.973 4.067 ( -2.230 -1.354 0.919) 2.766 4.350 ( 9.475 3.332 -3.017) 10.488 4.429 ( 13.568 -2.918 -2.945) 14.188 4.466 ( -0.191 8.408 -1.078) 8.479 4.611 ( -1.182 -3.877 -3.195) 5.161 4.791 ( 4.612 1.933 -0.353) 5.013 4.854 ( -2.159 -0.526 -3.508) 4.152 4.902 ( 8.348 1.373 -2.565) 8.840 4.984 ( 8.418 -5.321 -0.594) 9.977 4.985 ( 8.178 3.119 0.163) 8.754 5.032 ( 6.364 -0.798 -1.153) 6.517 5.249 ( 1.450 4.021 -2.645) 5.027 5.265 ( -5.702 1.488 -0.625) 5.926 5.389 ( -7.828 5.666 -2.815) 10.065 5.436 ( -8.388 3.060 -1.379) 9.034 5.477 ( -0.418 -1.933 1.697) 2.606 5.535 ( -7.561 -4.987 0.477) 9.070 5.623 ( 1.415 -0.203 -2.197) 2.621 5.657 ( -2.000 -3.380 -3.303) 5.132 5.727 ( -2.106 -3.321 -1.823) 4.335 5.747 ( -3.517 -4.786 0.542) 5.964 6.002 ( 6.943 5.443 -1.729) 8.991 6.099 ( 8.601 -3.315 -0.238) 9.221 6.156 ( -3.777 5.833 -0.170) 6.951 6.285 ( -5.632 -5.425 -0.695) 7.851 6.404 ( 4.214 7.724 2.814) 9.238 6.532 ( -5.510 1.292 0.564) 5.688 6.583 ( -2.145 -4.206 2.131) 5.179 6.655 ( -6.585 -5.265 1.811) 8.623 7.010 ( 7.950 2.298 2.249) 8.575 7.034 ( 7.305 -0.118 2.915) 7.866 7.170 ( -6.857 1.316 3.297) 7.721 7.187 ( -6.671 0.171 2.844) 7.254 7.339 ( 4.708 1.433 2.075) 5.341 7.363 ( 3.239 -0.514 3.311) 4.661 7.463 ( -6.984 0.414 1.164) 7.093 7.467 ( -6.150 0.108 3.087) 6.882 8.034 ( 0.821 4.117 -0.062) 4.198 8.054 ( -0.676 4.546 -0.723) 4.652 8.165 ( 2.666 -8.106 -1.270) 8.628 8.208 ( -1.312 -9.579 0.786) 9.700 8.730 ( 10.475 6.381 -0.353) 12.270 8.846 ( 4.620 2.313 -2.917) 5.933 8.871 ( 5.216 -1.241 -1.071) 5.467 8.963 ( 1.736 -2.361 -4.132) 5.066 9.229 ( -2.642 9.499 -2.804) 10.250 9.265 ( -8.084 3.564 0.670) 8.860 9.332 ( -2.136 -2.033 0.051) 2.949 9.408 ( -7.015 -4.369 -1.543) 8.407 9.836 ( 1.517 1.393 1.248) 2.408 9.857 ( -0.176 -1.018 1.727) 2.012 9.919 ( 1.381 -5.418 0.336) 5.601 9.956 ( -2.380 -7.023 -0.188) 7.417 10.229 ( 2.925 10.780 1.415) 11.259 10.286 ( -2.190 9.717 1.524) 10.077 10.409 ( 2.368 -4.844 0.626) 5.428 10.440 ( -0.182 -4.395 1.454) 4.633 11.112 ( 5.850 3.485 1.865) 7.060 11.197 ( -0.615 -1.943 -0.292) 2.059 11.226 ( 0.023 -0.804 1.306) 1.534 11.272 ( -2.579 -4.197 1.011) 5.029 11.345 ( 2.829 -0.306 4.103) 4.994 11.396 ( 0.840 -1.797 2.937) 3.545 11.440 ( -4.331 -0.523 4.721) 6.428 11.501 ( -6.107 -4.627 4.738) 9.008 11.716 ( 1.685 9.701 2.436) 10.143 11.765 ( -2.644 8.262 3.167) 9.235 11.901 ( 1.444 -7.010 2.061) 7.448 11.931 ( -1.253 -6.691 3.098) 7.479 12.566 ( 8.054 4.204 0.152) 9.086 12.657 ( 8.829 -4.107 0.515) 9.751 12.716 ( -6.397 3.731 0.822) 7.451 12.811 ( -5.974 -4.879 1.083) 7.788 12.989 ( 4.739 5.269 -2.669) 7.572 13.058 ( -0.080 4.324 -2.758) 5.129 13.090 ( 2.916 -1.558 -2.199) 3.971 13.172 ( -3.104 -3.835 -2.551) 5.555 14.360 ( 14.314 0.590 -0.959) 14.359 14.374 ( 13.827 -0.672 -0.752) 13.864 14.629 ( -11.119 0.465 -1.176) 11.190 14.642 ( -11.715 -0.720 -1.207) 11.799 15.032 ( 6.238 2.427 -1.928) 6.966 15.075 ( 5.347 -0.501 -2.080) 5.759 15.115 ( 3.514 0.982 -0.194) 3.654 15.168 ( 0.895 -2.808 0.289) 2.962 16.024 ( 14.399 2.961 1.361) 14.763 16.113 ( 14.469 -5.630 -0.490) 15.533 16.451 ( -1.069 1.546 -1.360) 2.320 16.461 ( -14.535 0.998 -0.946) 14.600 16.513 ( -2.862 5.715 -1.403) 6.544 16.548 ( -4.832 1.010 -1.298) 5.104 16.593 ( -20.789 -2.798 -1.600) 21.038 16.615 ( -5.024 -3.587 -2.541) 6.676 17.843 ( -1.088 5.688 -4.894) 7.582 17.905 ( -6.121 4.022 -4.088) 8.388 17.979 ( -3.364 -5.154 -6.144) 8.696 18.014 ( -6.019 -4.657 -4.465) 8.823 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 0.000 18.636) 18.636 1.151 ( 0.000 0.000 28.500) 28.500 1.529 ( 0.000 0.000 20.495) 20.495 1.669 ( 0.000 0.000 19.727) 19.727 1.835 ( 0.000 0.000 41.847) 41.847 1.898 ( 0.000 0.000 15.035) 15.035 2.029 ( 0.000 0.000 12.598) 12.598 2.171 ( 0.000 0.000 0.511) 0.511 2.248 ( 0.000 0.000 -4.837) 4.837 2.613 ( 0.000 0.000 14.122) 14.122 2.687 ( 0.000 0.000 0.815) 0.815 2.924 ( 0.000 0.000 -0.085) 0.085 3.000 ( 0.000 0.000 16.708) 16.708 3.119 ( 0.000 0.000 2.972) 2.972 3.126 ( 0.000 0.000 2.872) 2.872 3.395 ( 0.000 0.000 14.603) 14.603 3.480 ( 0.000 0.000 4.649) 4.649 3.498 ( 0.000 0.000 2.527) 2.527 3.514 ( 0.000 0.000 -5.652) 5.652 3.665 ( 0.000 0.000 -11.094) 11.094 3.868 ( 0.000 0.000 -7.789) 7.789 3.904 ( 0.000 0.000 -2.265) 2.265 3.905 ( 0.000 0.000 -4.422) 4.422 3.953 ( 0.000 0.000 -3.798) 3.798 4.047 ( 0.000 0.000 -7.015) 7.015 4.168 ( 0.000 0.000 -7.659) 7.659 4.267 ( 0.000 0.000 9.672) 9.672 4.276 ( 0.000 0.000 4.048) 4.048 4.311 ( 0.000 0.000 1.841) 1.841 4.371 ( 0.000 0.000 -2.450) 2.450 4.456 ( 0.000 0.000 1.845) 1.845 4.652 ( 0.000 0.000 -0.205) 0.205 4.718 ( 0.000 0.000 -5.305) 5.305 4.904 ( 0.000 0.000 2.308) 2.308 4.941 ( 0.000 0.000 -7.263) 7.263 5.347 ( 0.000 0.000 2.689) 2.689 5.504 ( 0.000 0.000 -7.549) 7.549 5.670 ( 0.000 0.000 -5.488) 5.488 5.684 ( 0.000 0.000 -12.146) 12.146 5.742 ( 0.000 0.000 -4.044) 4.044 5.817 ( 0.000 0.000 -1.476) 1.476 5.857 ( 0.000 0.000 0.073) 0.073 6.008 ( 0.000 0.000 4.423) 4.423 6.027 ( 0.000 0.000 -2.449) 2.449 6.063 ( 0.000 0.000 -11.431) 11.431 6.145 ( 0.000 0.000 0.529) 0.529 6.170 ( 0.000 0.000 9.501) 9.501 6.248 ( 0.000 0.000 -2.855) 2.855 6.413 ( 0.000 0.000 -0.081) 0.081 6.513 ( 0.000 0.000 -1.462) 1.462 6.516 ( 0.000 0.000 6.511) 6.511 6.744 ( 0.000 0.000 1.032) 1.032 6.925 ( 0.000 0.000 0.505) 0.505 6.994 ( 0.000 0.000 -0.388) 0.388 7.041 ( 0.000 0.000 3.080) 3.080 7.240 ( 0.000 0.000 1.786) 1.786 7.483 ( 0.000 0.000 -5.873) 5.873 7.747 ( 0.000 0.000 -3.741) 3.741 7.849 ( 0.000 0.000 -4.973) 4.973 7.938 ( 0.000 0.000 -3.285) 3.285 7.978 ( 0.000 0.000 1.653) 1.653 8.029 ( 0.000 0.000 -0.929) 0.929 8.217 ( 0.000 0.000 -0.433) 0.433 8.251 ( 0.000 0.000 0.030) 0.030 8.279 ( 0.000 0.000 3.948) 3.948 8.329 ( 0.000 0.000 14.352) 14.352 8.918 ( 0.000 0.000 -7.921) 7.921 8.931 ( 0.000 0.000 -0.091) 0.091 9.257 ( 0.000 0.000 2.287) 2.287 9.274 ( 0.000 0.000 -2.666) 2.666 9.567 ( 0.000 0.000 1.115) 1.115 9.777 ( 0.000 0.000 -7.145) 7.145 9.800 ( 0.000 0.000 -1.669) 1.669 9.997 ( 0.000 0.000 -8.574) 8.574 10.087 ( 0.000 0.000 1.208) 1.208 10.128 ( 0.000 0.000 2.942) 2.942 10.394 ( 0.000 0.000 0.849) 0.849 10.454 ( 0.000 0.000 6.711) 6.711 10.456 ( 0.000 0.000 4.324) 4.324 10.495 ( 0.000 0.000 4.787) 4.787 10.677 ( 0.000 0.000 5.334) 5.334 10.799 ( 0.000 0.000 9.557) 9.557 10.907 ( 0.000 0.000 -5.280) 5.280 10.944 ( 0.000 0.000 1.717) 1.717 10.958 ( 0.000 0.000 5.162) 5.162 11.383 ( 0.000 0.000 -6.605) 6.605 11.471 ( 0.000 0.000 -2.898) 2.898 11.673 ( 0.000 0.000 0.116) 0.116 11.691 ( 0.000 0.000 -4.127) 4.127 11.786 ( 0.000 0.000 3.383) 3.383 12.101 ( 0.000 0.000 6.100) 6.100 12.234 ( 0.000 0.000 15.238) 15.238 12.362 ( 0.000 0.000 -5.979) 5.979 12.578 ( 0.000 0.000 -5.097) 5.097 12.598 ( 0.000 0.000 0.996) 0.996 12.615 ( 0.000 0.000 -5.090) 5.090 12.799 ( 0.000 0.000 -1.339) 1.339 12.892 ( 0.000 0.000 -4.731) 4.731 12.930 ( 0.000 0.000 2.614) 2.614 13.214 ( 0.000 0.000 0.559) 0.559 13.687 ( 0.000 0.000 -5.547) 5.547 13.709 ( 0.000 0.000 -7.506) 7.506 14.022 ( 0.000 0.000 -8.062) 8.062 14.085 ( 0.000 0.000 -9.547) 9.547 14.643 ( 0.000 0.000 5.908) 5.908 14.790 ( 0.000 0.000 -0.413) 0.413 14.791 ( 0.000 0.000 -10.689) 10.689 14.871 ( 0.000 0.000 -12.143) 12.143 15.160 ( 0.000 0.000 15.436) 15.436 15.876 ( 0.000 0.000 -0.559) 0.559 16.542 ( 0.000 0.000 7.179) 7.179 16.660 ( 0.000 0.000 5.194) 5.194 17.028 ( 0.000 0.000 1.012) 1.012 17.402 ( 0.000 0.000 -10.171) 10.171 17.876 ( 0.000 0.000 2.244) 2.244 17.974 ( 0.000 0.000 1.836) 1.836 18.221 ( 0.000 0.000 -3.097) 3.097 18.295 ( 0.000 0.000 -1.975) 1.975 18.612 ( 0.000 0.000 -1.561) 1.561 18.628 ( 0.000 0.000 -0.008) 0.008 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 10.878 0.000 15.158) 18.657 1.418 ( 22.010 0.000 23.087) 31.897 1.649 ( 11.029 0.000 18.459) 21.503 1.790 ( 8.751 0.000 17.700) 19.745 1.935 ( 9.711 0.000 35.845) 37.137 1.989 ( 10.518 0.000 15.466) 18.704 1.992 ( -2.045 0.000 9.052) 9.280 2.124 ( -2.295 0.000 1.902) 2.981 2.395 ( 10.662 0.000 -1.985) 10.846 2.576 ( 1.195 0.000 9.350) 9.426 2.892 ( -1.108 0.000 2.390) 2.635 2.894 ( 13.861 0.000 0.223) 13.863 3.101 ( 4.889 0.000 11.554) 12.546 3.140 ( 4.563 0.000 3.616) 5.823 3.168 ( 3.548 0.000 4.290) 5.567 3.383 ( -0.857 0.000 10.936) 10.969 3.516 ( 1.174 0.000 -2.072) 2.382 3.534 ( 4.748 0.000 1.792) 5.075 3.620 ( 10.416 0.000 4.610) 11.391 3.660 ( 0.301 0.000 -10.879) 10.884 3.857 ( -0.760 0.000 -7.661) 7.698 3.881 ( -0.939 0.000 -4.401) 4.500 3.941 ( 2.255 0.000 -2.381) 3.279 4.009 ( 5.496 0.000 -1.682) 5.748 4.040 ( -0.448 0.000 -5.972) 5.988 4.116 ( -4.772 0.000 -5.865) 7.561 4.244 ( -0.402 0.000 5.586) 5.600 4.291 ( 0.155 0.000 3.466) 3.469 4.382 ( 1.718 0.000 -3.916) 4.276 4.433 ( 6.887 0.000 4.408) 8.176 4.492 ( 3.277 0.000 1.692) 3.688 4.650 ( -3.436 0.000 -4.603) 5.744 4.715 ( 6.710 0.000 -0.037) 6.710 4.917 ( 1.091 0.000 3.203) 3.384 4.956 ( 0.947 0.000 -7.656) 7.714 5.310 ( -3.046 0.000 1.277) 3.302 5.515 ( -0.100 0.000 -7.395) 7.396 5.594 ( -7.202 0.000 -10.671) 12.874 5.643 ( -4.739 0.000 -6.180) 7.788 5.719 ( 0.601 0.000 -5.236) 5.270 5.824 ( 0.079 0.000 -1.667) 1.669 5.891 ( 2.881 0.000 1.442) 3.222 5.987 ( -2.163 0.000 4.527) 5.017 6.025 ( -1.899 0.000 -8.809) 9.011 6.068 ( -0.087 0.000 -5.873) 5.874 6.133 ( 0.214 0.000 1.659) 1.673 6.147 ( -1.943 0.000 10.178) 10.362 6.344 ( -12.178 0.000 4.380) 12.942 6.349 ( 5.260 0.000 -5.995) 7.976 6.444 ( 4.872 0.000 1.200) 5.018 6.566 ( 3.012 0.000 -1.028) 3.183 6.693 ( -0.678 0.000 -3.726) 3.787 6.916 ( -0.619 0.000 1.125) 1.284 7.053 ( 1.279 0.000 2.713) 2.999 7.165 ( 9.049 0.000 2.550) 9.402 7.206 ( -3.400 0.000 1.011) 3.547 7.496 ( 1.792 0.000 -4.277) 4.637 7.683 ( -5.156 0.000 -0.127) 5.157 7.841 ( -2.204 0.000 -3.063) 3.774 7.913 ( -3.587 0.000 -0.204) 3.593 8.007 ( -1.935 0.000 -0.840) 2.109 8.019 ( 4.942 0.000 -0.279) 4.950 8.141 ( -4.740 0.000 0.955) 4.835 8.235 ( 2.545 0.000 0.079) 2.547 8.374 ( 2.838 0.000 10.471) 10.848 8.400 ( 7.404 0.000 0.480) 7.420 8.644 ( -18.685 0.000 10.967) 21.666 8.914 ( -0.083 0.000 -8.260) 8.261 9.194 ( -7.177 0.000 -1.815) 7.403 9.306 ( 3.869 0.000 -3.442) 5.179 9.590 ( 2.004 0.000 0.950) 2.218 9.695 ( -5.368 0.000 -5.351) 7.580 9.844 ( 2.036 0.000 -2.139) 2.953 9.941 ( -4.793 0.000 -7.886) 9.228 10.068 ( -1.760 0.000 1.604) 2.382 10.109 ( -1.986 0.000 2.833) 3.460 10.321 ( -3.157 0.000 4.471) 5.473 10.412 ( -4.253 0.000 4.399) 6.119 10.459 ( -0.097 0.000 6.489) 6.490 10.491 ( 0.119 0.000 7.313) 7.314 10.739 ( 3.746 0.000 2.523) 4.516 10.912 ( 9.714 0.000 8.443) 12.870 11.028 ( 6.313 0.000 5.375) 8.291 11.147 ( 16.334 0.000 -6.216) 17.477 11.167 ( 15.996 0.000 -4.532) 16.626 11.365 ( -1.061 0.000 -5.479) 5.581 11.473 ( 0.135 0.000 -2.473) 2.476 11.681 ( 0.872 0.000 0.052) 0.874 11.686 ( -0.218 0.000 -2.963) 2.971 11.787 ( 0.651 0.000 3.020) 3.090 12.068 ( -3.061 0.000 5.920) 6.665 12.226 ( -0.790 0.000 13.897) 13.919 12.267 ( -4.799 0.000 -2.204) 5.280 12.597 ( 2.794 0.000 -2.807) 3.960 12.618 ( -5.481 0.000 -4.458) 7.065 12.677 ( 5.687 0.000 -0.823) 5.746 12.790 ( 4.488 0.000 -1.899) 4.873 12.922 ( -0.290 0.000 1.747) 1.771 12.970 ( 4.059 0.000 -3.904) 5.631 13.203 ( -0.579 0.000 -0.525) 0.782 13.805 ( 12.032 0.000 -5.568) 13.258 13.877 ( 15.039 0.000 -7.434) 16.776 14.026 ( -2.345 0.000 -0.213) 2.355 14.039 ( -0.235 0.000 -0.627) 0.670 14.720 ( 5.744 0.000 -1.429) 5.919 14.788 ( -0.034 0.000 -9.871) 9.871 14.812 ( 1.968 0.000 -0.418) 2.011 14.873 ( 0.336 0.000 -11.361) 11.366 15.294 ( 12.976 0.000 11.117) 17.087 16.048 ( 13.105 0.000 -11.803) 17.637 16.470 ( -6.861 0.000 7.059) 9.844 16.608 ( -4.728 0.000 4.291) 6.385 16.925 ( -8.707 0.000 -0.334) 8.713 17.220 ( -17.038 0.000 -7.397) 18.574 17.763 ( -10.682 0.000 1.928) 10.854 17.870 ( -10.060 0.000 1.520) 10.174 18.160 ( -5.800 0.000 -3.557) 6.804 18.251 ( -4.695 0.000 -3.959) 6.141 18.540 ( -6.719 0.000 -1.183) 6.822 18.573 ( -5.699 0.000 -1.820) 5.983 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 14.270 0.000 9.559) 17.176 1.841 ( 16.406 0.000 23.573) 28.720 1.920 ( 6.248 0.000 11.729) 13.290 1.965 ( 7.503 0.000 7.945) 10.928 1.967 ( 8.973 0.000 9.568) 13.117 2.157 ( 6.089 0.000 3.729) 7.140 2.258 ( 22.222 0.000 20.968) 30.553 2.293 ( 16.128 0.000 15.875) 22.630 2.525 ( 3.902 0.000 9.581) 10.345 2.754 ( 12.848 0.000 -7.252) 14.754 2.889 ( 0.847 0.000 0.709) 1.105 3.095 ( 3.141 0.000 -3.842) 4.963 3.148 ( 2.664 0.000 2.214) 3.464 3.229 ( 0.578 0.000 9.276) 9.294 3.311 ( 8.398 0.000 7.923) 11.546 3.386 ( 3.911 0.000 2.823) 4.823 3.569 ( -6.139 0.000 -3.157) 6.903 3.664 ( 14.293 0.000 2.330) 14.482 3.688 ( 7.275 0.000 -3.312) 7.993 3.844 ( -0.439 0.000 -6.663) 6.678 3.846 ( -4.212 0.000 -3.045) 5.197 3.888 ( 9.515 0.000 -1.492) 9.631 3.972 ( -1.305 0.000 -1.983) 2.374 4.021 ( 0.146 0.000 -2.960) 2.964 4.113 ( 11.075 0.000 -0.956) 11.116 4.133 ( 0.787 0.000 7.441) 7.483 4.227 ( 2.612 0.000 -0.008) 2.612 4.268 ( 0.033 0.000 1.565) 1.565 4.417 ( -4.761 0.000 -2.996) 5.625 4.476 ( 6.683 0.000 -2.479) 7.128 4.566 ( 3.796 0.000 0.995) 3.924 4.767 ( 10.281 0.000 -0.156) 10.282 4.914 ( 11.261 0.000 -2.224) 11.479 4.938 ( 0.712 0.000 4.395) 4.452 4.984 ( 3.147 0.000 -6.115) 6.877 5.245 ( -2.570 0.000 -1.667) 3.063 5.385 ( -9.650 0.000 -5.543) 11.129 5.513 ( -3.113 0.000 -7.694) 8.300 5.532 ( -5.466 0.000 -7.702) 9.444 5.714 ( -1.687 0.000 -4.885) 5.168 5.827 ( 0.551 0.000 -1.319) 1.430 5.914 ( -4.962 0.000 4.285) 6.556 5.925 ( -6.641 0.000 -8.362) 10.678 5.944 ( -0.727 0.000 0.019) 0.727 6.040 ( -0.831 0.000 -3.396) 3.496 6.097 ( -10.089 0.000 -0.646) 10.110 6.116 ( -1.756 0.000 9.918) 10.072 6.187 ( 4.029 0.000 2.943) 4.990 6.395 ( 1.228 0.000 -1.257) 1.757 6.579 ( 5.582 0.000 -1.162) 5.702 6.638 ( 2.950 0.000 -2.595) 3.929 6.712 ( 2.587 0.000 -3.033) 3.986 6.915 ( 0.891 0.000 2.445) 2.602 7.043 ( -5.018 0.000 0.716) 5.069 7.162 ( 2.006 0.000 1.431) 2.464 7.262 ( 1.115 0.000 2.087) 2.366 7.557 ( 3.037 0.000 -1.605) 3.435 7.562 ( -6.456 0.000 3.986) 7.588 7.750 ( -6.041 0.000 -0.257) 6.046 7.769 ( -8.829 0.000 6.446) 10.932 7.970 ( -1.210 0.000 -1.031) 1.589 8.092 ( -0.283 0.000 -3.367) 3.379 8.194 ( 11.116 0.000 -0.199) 11.118 8.332 ( -11.243 0.000 12.322) 16.681 8.347 ( 7.750 0.000 -3.023) 8.319 8.428 ( 1.458 0.000 6.993) 7.144 8.551 ( 7.368 0.000 -3.074) 7.984 8.924 ( 0.951 0.000 -8.799) 8.851 9.046 ( -5.908 0.000 -0.121) 5.910 9.394 ( 3.927 0.000 -5.572) 6.817 9.561 ( -6.449 0.000 -4.040) 7.609 9.640 ( 0.402 0.000 -0.870) 0.958 9.840 ( -2.984 0.000 -2.501) 3.893 9.889 ( 1.964 0.000 -2.876) 3.483 9.983 ( -6.128 0.000 4.248) 7.456 10.075 ( -1.107 0.000 1.387) 1.775 10.296 ( -6.549 0.000 4.491) 7.941 10.316 ( 2.204 0.000 4.932) 5.402 10.427 ( -3.141 0.000 5.316) 6.175 10.510 ( 1.342 0.000 6.439) 6.578 10.834 ( 6.177 0.000 4.123) 7.426 11.125 ( 9.227 0.000 6.591) 11.339 11.181 ( 8.362 0.000 6.847) 10.808 11.281 ( -2.298 0.000 -5.532) 5.991 11.366 ( 4.371 0.000 -5.411) 6.956 11.471 ( -0.583 0.000 -1.123) 1.266 11.472 ( 6.596 0.000 -1.621) 6.792 11.692 ( 0.556 0.000 -0.301) 0.632 11.713 ( 2.129 0.000 0.607) 2.214 11.844 ( 5.244 0.000 3.057) 6.070 11.993 ( -3.722 0.000 4.834) 6.101 12.201 ( -1.741 0.000 11.178) 11.312 12.267 ( 5.682 0.000 -1.857) 5.978 12.477 ( -6.607 0.000 0.515) 6.627 12.678 ( 4.592 0.000 -2.925) 5.445 12.784 ( 4.300 0.000 -1.617) 4.594 12.864 ( 1.264 0.000 -1.924) 2.302 12.943 ( 2.486 0.000 0.172) 2.492 13.029 ( 1.527 0.000 -1.836) 2.388 13.201 ( 0.173 0.000 -1.926) 1.934 13.998 ( 1.323 0.000 4.315) 4.513 14.066 ( 2.398 0.000 5.504) 6.004 14.160 ( 22.157 0.000 -5.271) 22.776 14.281 ( 23.313 0.000 -8.298) 24.745 14.804 ( 1.509 0.000 -2.332) 2.778 14.805 ( 2.239 0.000 -7.035) 7.382 14.852 ( 1.096 0.000 -1.602) 1.941 14.898 ( 2.628 0.000 -8.885) 9.265 15.650 ( 20.204 0.000 0.038) 20.204 16.279 ( -11.197 0.000 6.559) 12.977 16.285 ( 9.027 0.000 -14.228) 16.850 16.496 ( -5.258 0.000 2.222) 5.708 16.740 ( -7.990 0.000 -4.321) 9.084 16.771 ( -24.978 0.000 -1.843) 25.045 17.458 ( -18.966 0.000 0.835) 18.984 17.571 ( -18.968 0.000 0.573) 18.977 17.999 ( -9.439 0.000 -4.062) 10.276 18.105 ( -9.130 0.000 -6.503) 11.209 18.348 ( -11.761 0.000 -2.146) 11.955 18.398 ( -11.046 0.000 -3.522) 11.594 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 11.971 0.000 6.047) 13.412 1.875 ( -3.432 0.000 5.875) 6.804 2.101 ( 9.878 0.000 9.464) 13.680 2.170 ( 10.542 0.000 17.357) 20.307 2.285 ( 15.207 0.000 4.953) 15.993 2.366 ( 14.325 0.000 5.534) 15.357 2.588 ( 12.803 0.000 15.149) 19.835 2.642 ( 7.721 0.000 8.250) 11.299 2.659 ( 11.488 0.000 0.966) 11.529 2.943 ( 3.852 0.000 -9.365) 10.126 2.987 ( 11.394 0.000 6.035) 12.893 3.053 ( -5.070 0.000 -3.467) 6.142 3.176 ( -4.582 0.000 5.128) 6.877 3.216 ( 2.495 0.000 -1.335) 2.830 3.387 ( -9.600 0.000 -0.457) 9.611 3.440 ( 4.019 0.000 3.779) 5.517 3.567 ( 11.044 0.000 4.380) 11.880 3.611 ( -11.372 0.000 2.346) 11.612 3.825 ( 0.329 0.000 -5.931) 5.940 3.858 ( 4.444 0.000 -4.260) 6.156 3.934 ( -1.294 0.000 -2.861) 3.140 3.962 ( -5.230 0.000 4.250) 6.739 3.967 ( -4.133 0.000 -1.869) 4.536 4.055 ( 13.835 0.000 0.308) 13.839 4.136 ( 10.705 0.000 -0.928) 10.745 4.278 ( -5.338 0.000 4.465) 6.960 4.298 ( 6.853 0.000 1.635) 7.045 4.448 ( 9.965 0.000 -2.093) 10.183 4.525 ( 20.158 0.000 0.811) 20.174 4.634 ( 9.882 0.000 -1.107) 9.943 4.667 ( 7.266 0.000 -1.603) 7.441 4.848 ( -1.259 0.000 -7.473) 7.578 4.934 ( -1.487 0.000 4.453) 4.694 5.036 ( -1.682 0.000 -7.837) 8.016 5.136 ( 6.010 0.000 -2.089) 6.362 5.232 ( -2.844 0.000 0.874) 2.975 5.284 ( 6.727 0.000 -1.563) 6.906 5.426 ( -5.232 0.000 -9.180) 10.566 5.453 ( -0.179 0.000 -4.796) 4.800 5.643 ( -5.978 0.000 -3.376) 6.866 5.754 ( -8.821 0.000 -7.304) 11.452 5.795 ( -6.159 0.000 2.298) 6.574 5.828 ( -1.562 0.000 -0.313) 1.593 5.850 ( -5.582 0.000 -1.625) 5.814 5.902 ( -7.524 0.000 -3.935) 8.491 6.064 ( 0.941 0.000 0.179) 0.958 6.135 ( 3.138 0.000 7.886) 8.487 6.266 ( 3.451 0.000 2.971) 4.553 6.414 ( 0.262 0.000 0.962) 0.997 6.616 ( -5.160 0.000 -5.076) 7.238 6.658 ( 2.677 0.000 1.247) 2.953 6.829 ( 8.247 0.000 1.828) 8.447 6.897 ( -6.808 0.000 2.477) 7.244 6.978 ( 4.591 0.000 3.265) 5.633 7.243 ( 4.660 0.000 1.523) 4.902 7.269 ( 0.515 0.000 1.481) 1.568 7.422 ( -7.031 0.000 5.260) 8.781 7.517 ( -7.141 0.000 4.317) 8.345 7.613 ( -7.107 0.000 0.754) 7.147 7.645 ( -3.603 0.000 3.933) 5.334 7.974 ( 1.174 0.000 -2.335) 2.613 8.119 ( 2.713 0.000 -3.321) 4.288 8.148 ( -6.132 0.000 7.441) 9.642 8.423 ( 10.761 0.000 -0.231) 10.763 8.435 ( -1.391 0.000 3.996) 4.232 8.519 ( 8.201 0.000 -3.919) 9.089 8.703 ( 7.342 0.000 -7.196) 10.281 8.935 ( -0.361 0.000 -8.711) 8.718 8.990 ( 0.916 0.000 2.792) 2.938 9.416 ( -3.076 0.000 -3.597) 4.733 9.426 ( -6.122 0.000 -2.220) 6.512 9.569 ( -6.589 0.000 -1.911) 6.860 9.859 ( 3.860 0.000 0.850) 3.953 9.886 ( -1.821 0.000 3.874) 4.281 9.938 ( 2.721 0.000 -1.470) 3.093 10.049 ( -1.788 0.000 0.806) 1.962 10.170 ( -5.127 0.000 3.984) 6.493 10.338 ( -5.406 0.000 4.165) 6.824 10.383 ( 3.840 0.000 3.223) 5.013 10.529 ( 0.176 0.000 3.282) 3.287 10.987 ( 8.201 0.000 4.804) 9.504 11.236 ( -1.604 0.000 -1.869) 2.463 11.246 ( 3.670 0.000 5.527) 6.634 11.370 ( 9.162 0.000 7.426) 11.793 11.393 ( 0.126 0.000 -2.419) 2.423 11.440 ( -2.415 0.000 1.127) 2.665 11.515 ( -0.311 0.000 0.923) 0.974 11.670 ( -2.433 0.000 2.695) 3.631 11.739 ( -0.715 0.000 4.096) 4.158 11.923 ( -1.079 0.000 5.520) 5.625 11.949 ( 0.301 0.000 1.859) 1.883 12.154 ( -2.880 0.000 7.786) 8.302 12.391 ( 3.115 0.000 0.514) 3.157 12.486 ( 10.957 0.000 -0.662) 10.977 12.770 ( 4.370 0.000 -3.357) 5.511 12.831 ( -4.312 0.000 0.549) 4.347 12.865 ( 3.850 0.000 -3.806) 5.413 12.996 ( 2.094 0.000 -1.810) 2.768 13.019 ( -2.787 0.000 0.735) 2.882 13.191 ( -1.524 0.000 -3.545) 3.859 14.098 ( 8.415 0.000 1.318) 8.518 14.161 ( 7.352 0.000 2.478) 7.759 14.657 ( 23.821 0.000 -4.520) 24.246 14.744 ( 19.416 0.000 -7.352) 20.762 14.767 ( -5.403 0.000 -1.728) 5.673 14.809 ( -5.948 0.000 -2.039) 6.288 14.900 ( 7.321 0.000 -2.551) 7.752 15.018 ( 10.283 0.000 -4.698) 11.305 16.051 ( 17.790 0.000 -4.915) 18.456 16.058 ( -8.645 0.000 5.214) 10.096 16.291 ( -19.572 0.000 1.073) 19.601 16.407 ( 2.464 0.000 -4.144) 4.821 16.440 ( 1.256 0.000 -1.808) 2.202 16.631 ( -2.947 0.000 -7.108) 7.695 17.003 ( -25.213 0.000 -0.191) 25.213 17.115 ( -25.174 0.000 -1.028) 25.195 17.804 ( -8.763 0.000 -4.435) 9.821 17.913 ( -8.629 0.000 -8.106) 11.839 18.083 ( -13.399 0.000 -4.202) 14.043 18.151 ( -12.348 0.000 -5.305) 13.439 ======================= Grid point 58 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 8.294 0.000 5.053) 9.712 1.788 ( -5.293 0.000 5.282) 7.477 2.264 ( 6.026 0.000 4.435) 7.483 2.318 ( 2.066 0.000 11.383) 11.569 2.569 ( 12.912 0.000 0.252) 12.915 2.665 ( 11.181 0.000 4.284) 11.974 2.796 ( 9.491 0.000 2.030) 9.705 2.801 ( 5.042 0.000 1.524) 5.267 2.859 ( 10.821 0.000 8.923) 14.025 2.862 ( -7.176 0.000 -3.605) 8.031 2.989 ( -2.016 0.000 -1.026) 2.262 3.054 ( -6.917 0.000 3.884) 7.933 3.068 ( -10.743 0.000 1.576) 10.858 3.114 ( -8.024 0.000 5.531) 9.745 3.387 ( 6.491 0.000 -2.082) 6.817 3.467 ( -2.728 0.000 0.972) 2.896 3.535 ( 9.084 0.000 6.212) 11.005 3.714 ( 3.049 0.000 0.821) 3.158 3.775 ( -11.167 0.000 3.006) 11.564 3.798 ( -6.415 0.000 1.356) 6.556 3.921 ( 9.463 0.000 -0.424) 9.473 3.923 ( 2.041 0.000 -3.173) 3.773 3.949 ( -0.567 0.000 -2.723) 2.781 4.121 ( -9.096 0.000 2.114) 9.338 4.315 ( 6.645 0.000 -1.259) 6.763 4.388 ( 0.135 0.000 1.368) 1.375 4.394 ( 14.576 0.000 -2.560) 14.799 4.583 ( -1.167 0.000 -1.285) 1.735 4.775 ( 8.130 0.000 -5.931) 10.063 4.815 ( 0.811 0.000 -3.758) 3.844 4.879 ( -3.549 0.000 1.963) 4.056 4.906 ( 13.284 0.000 -3.520) 13.743 4.917 ( -0.429 0.000 -6.533) 6.547 5.031 ( 17.549 0.000 -1.205) 17.590 5.148 ( 1.375 0.000 1.874) 2.324 5.211 ( -3.209 0.000 -1.361) 3.485 5.238 ( -13.037 0.000 -4.553) 13.809 5.358 ( -6.376 0.000 -3.154) 7.114 5.486 ( -3.961 0.000 -6.395) 7.522 5.563 ( -8.514 0.000 -5.121) 9.936 5.564 ( 7.488 0.000 1.647) 7.667 5.680 ( -4.931 0.000 0.590) 4.966 5.766 ( -1.401 0.000 -3.440) 3.715 5.807 ( -3.579 0.000 -3.332) 4.890 5.881 ( 7.687 0.000 -0.606) 7.711 6.029 ( -4.892 0.000 -0.800) 4.957 6.253 ( 8.387 0.000 3.910) 9.253 6.330 ( 3.013 0.000 2.802) 4.115 6.390 ( -2.539 0.000 1.897) 3.169 6.452 ( -10.045 0.000 -1.298) 10.129 6.707 ( 2.575 0.000 3.262) 4.156 6.776 ( -4.505 0.000 3.854) 5.929 7.019 ( 9.901 0.000 3.282) 10.430 7.115 ( 8.154 0.000 4.814) 9.469 7.211 ( -8.070 0.000 3.333) 8.731 7.274 ( -5.310 0.000 5.339) 7.530 7.365 ( 3.228 0.000 2.526) 4.099 7.427 ( 2.695 0.000 1.895) 3.295 7.472 ( -6.475 0.000 1.238) 6.593 7.542 ( -6.322 0.000 2.712) 6.879 7.995 ( 1.181 0.000 -0.295) 1.217 8.039 ( -3.457 0.000 3.931) 5.235 8.239 ( 6.782 0.000 -2.442) 7.208 8.366 ( -5.162 0.000 0.249) 5.168 8.611 ( 6.679 0.000 -3.372) 7.482 8.646 ( 3.288 0.000 -4.741) 5.769 8.827 ( 4.349 0.000 -8.240) 9.318 8.899 ( -2.998 0.000 -7.893) 8.444 9.084 ( 7.763 0.000 4.048) 8.755 9.272 ( -9.576 0.000 1.669) 9.721 9.349 ( -0.228 0.000 0.380) 0.443 9.424 ( -6.565 0.000 0.044) 6.565 9.917 ( 3.719 0.000 0.798) 3.804 9.938 ( 3.259 0.000 0.400) 3.283 9.979 ( 0.005 0.000 -0.835) 0.835 9.996 ( -3.441 0.000 0.269) 3.452 10.125 ( 1.792 0.000 3.734) 4.142 10.218 ( -5.945 0.000 3.502) 6.899 10.458 ( 3.282 0.000 1.387) 3.563 10.512 ( -1.850 0.000 1.038) 2.121 11.132 ( 5.343 0.000 2.562) 5.925 11.206 ( -2.116 0.000 0.431) 2.160 11.309 ( 2.981 0.000 4.624) 5.502 11.375 ( -3.475 0.000 3.137) 4.682 11.423 ( 3.227 0.000 1.550) 3.579 11.492 ( -2.445 0.000 2.450) 3.461 11.542 ( 7.444 0.000 7.057) 10.257 11.655 ( 2.970 0.000 4.953) 5.775 11.672 ( -5.217 0.000 6.427) 8.278 11.795 ( -8.882 0.000 7.633) 11.711 12.001 ( 3.954 0.000 1.703) 4.306 12.084 ( -3.877 0.000 4.374) 5.845 12.527 ( 8.763 0.000 0.876) 8.807 12.702 ( -7.506 0.000 1.322) 7.622 12.722 ( 10.517 0.000 0.948) 10.560 12.856 ( 3.906 0.000 -3.760) 5.421 12.909 ( -0.521 0.000 -4.125) 4.158 12.912 ( -7.552 0.000 1.829) 7.770 13.046 ( 3.670 0.000 -4.696) 5.960 13.132 ( -4.051 0.000 -5.160) 6.560 14.325 ( 13.062 0.000 -1.962) 13.208 14.362 ( 11.853 0.000 -1.429) 11.939 14.588 ( -11.586 0.000 -2.640) 11.883 14.617 ( -12.075 0.000 -2.344) 12.301 14.975 ( 9.920 0.000 -1.094) 9.980 15.046 ( 6.799 0.000 -0.710) 6.836 15.089 ( 8.490 0.000 -1.379) 8.602 15.194 ( 1.008 0.000 -0.672) 1.211 16.044 ( 9.846 0.000 2.755) 10.224 16.147 ( 10.053 0.000 -2.830) 10.444 16.337 ( 9.643 0.000 -3.412) 10.229 16.429 ( -0.066 0.000 -0.845) 0.847 16.462 ( -26.189 0.000 -0.334) 26.192 16.509 ( 3.729 0.000 -2.568) 4.528 16.579 ( -26.046 0.000 -2.950) 26.213 16.579 ( -3.149 0.000 -4.488) 5.482 17.692 ( -0.964 0.000 -4.964) 5.057 17.769 ( -6.561 0.000 -5.678) 8.677 17.873 ( -4.032 0.000 -8.879) 9.752 17.932 ( -8.053 0.000 -8.016) 11.363 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 23.034 13.465) 26.680 1.246 ( 0.000 8.463 26.116) 27.453 1.493 ( 0.000 -8.306 21.332) 22.892 1.507 ( 0.000 -12.724 20.460) 24.094 1.729 ( 0.000 -3.379 29.154) 29.349 1.745 ( 0.000 -8.439 6.286) 10.523 2.177 ( 0.000 6.640 15.227) 16.612 2.237 ( 0.000 -0.906 14.185) 14.214 2.444 ( 0.000 14.176 4.697) 14.934 2.606 ( 0.000 -6.478 3.219) 7.234 2.636 ( 0.000 10.032 6.653) 12.037 2.938 ( 0.000 -9.248 10.375) 13.898 3.013 ( 0.000 6.514 1.305) 6.643 3.117 ( 0.000 -0.681 0.872) 1.107 3.199 ( 0.000 -2.846 -1.660) 3.295 3.278 ( 0.000 -8.036 5.964) 10.007 3.312 ( 0.000 3.063 3.343) 4.534 3.435 ( 0.000 -4.747 5.352) 7.154 3.645 ( 0.000 3.804 -3.566) 5.214 3.682 ( 0.000 0.019 -7.444) 7.444 3.853 ( 0.000 -0.086 -8.275) 8.275 3.864 ( 0.000 -1.321 -5.919) 6.065 4.026 ( 0.000 7.831 0.202) 7.833 4.052 ( 0.000 5.054 1.586) 5.298 4.063 ( 0.000 1.718 -6.796) 7.009 4.118 ( 0.000 -3.667 -6.510) 7.472 4.246 ( 0.000 -1.686 2.741) 3.218 4.270 ( 0.000 0.336 6.916) 6.924 4.293 ( 0.000 -1.386 3.437) 3.706 4.320 ( 0.000 -7.115 -1.720) 7.320 4.468 ( 0.000 4.828 2.613) 5.490 4.584 ( 0.000 -5.650 1.230) 5.783 4.798 ( 0.000 6.055 -5.948) 8.488 4.904 ( 0.000 -3.832 -6.730) 7.745 5.017 ( 0.000 9.592 1.066) 9.651 5.222 ( 0.000 -9.611 0.940) 9.657 5.538 ( 0.000 1.986 -9.130) 9.343 5.594 ( 0.000 -3.835 -9.732) 10.460 5.729 ( 0.000 1.759 -5.700) 5.965 5.741 ( 0.000 0.573 -0.754) 0.947 5.869 ( 0.000 1.811 -7.079) 7.307 5.891 ( 0.000 0.762 -0.855) 1.146 6.026 ( 0.000 1.262 -2.237) 2.568 6.039 ( 0.000 -0.714 -9.298) 9.326 6.142 ( 0.000 1.423 0.183) 1.435 6.144 ( 0.000 8.815 2.610) 9.193 6.219 ( 0.000 3.072 5.814) 6.576 6.233 ( 0.000 -0.263 -1.714) 1.734 6.320 ( 0.000 -5.273 4.679) 7.049 6.428 ( 0.000 -9.126 7.935) 12.093 6.559 ( 0.000 3.480 -2.119) 4.074 6.648 ( 0.000 -5.717 -2.678) 6.313 6.962 ( 0.000 2.130 1.766) 2.767 6.995 ( 0.000 -1.022 2.010) 2.255 7.141 ( 0.000 8.731 -2.435) 9.064 7.275 ( 0.000 -1.810 -3.369) 3.824 7.536 ( 0.000 7.895 0.274) 7.900 7.744 ( 0.000 0.911 -2.939) 3.076 7.759 ( 0.000 -11.613 0.530) 11.625 7.799 ( 0.000 -3.870 -3.422) 5.166 8.057 ( 0.000 1.776 -1.434) 2.282 8.057 ( 0.000 2.416 -1.047) 2.633 8.193 ( 0.000 0.361 0.511) 0.626 8.226 ( 0.000 -2.144 0.207) 2.154 8.386 ( 0.000 6.265 13.867) 15.216 8.455 ( 0.000 9.933 1.715) 10.080 8.703 ( 0.000 -13.929 9.571) 16.900 8.799 ( 0.000 -11.347 -3.462) 11.864 9.174 ( 0.000 -2.146 -5.981) 6.354 9.186 ( 0.000 -3.178 -3.619) 4.817 9.609 ( 0.000 4.091 1.263) 4.281 9.727 ( 0.000 -6.953 0.585) 6.977 9.944 ( 0.000 12.770 -3.741) 13.306 10.112 ( 0.000 2.345 1.138) 2.607 10.154 ( 0.000 1.842 2.445) 3.061 10.228 ( 0.000 -7.983 -4.997) 9.418 10.262 ( 0.000 9.926 -1.759) 10.080 10.414 ( 0.000 -4.240 1.329) 4.444 10.498 ( 0.000 0.173 5.344) 5.347 10.498 ( 0.000 0.578 5.694) 5.723 10.727 ( 0.000 3.697 5.240) 6.413 10.782 ( 0.000 -1.713 7.946) 8.128 10.910 ( 0.000 0.286 -3.280) 3.292 10.919 ( 0.000 -0.678 0.484) 0.833 11.090 ( 0.000 10.723 -1.750) 10.865 11.301 ( 0.000 -8.123 -6.917) 10.669 11.520 ( 0.000 4.440 -2.766) 5.231 11.617 ( 0.000 -4.384 -3.203) 5.429 11.728 ( 0.000 2.485 0.464) 2.528 11.774 ( 0.000 -1.556 2.597) 3.028 12.099 ( 0.000 1.511 7.544) 7.694 12.175 ( 0.000 -4.891 12.280) 13.218 12.428 ( 0.000 4.442 -5.960) 7.433 12.505 ( 0.000 -3.680 -5.619) 6.716 12.645 ( 0.000 4.598 -0.752) 4.660 12.691 ( 0.000 3.196 -4.180) 5.261 12.777 ( 0.000 -2.016 -1.194) 2.343 12.788 ( 0.000 -5.452 -0.903) 5.526 13.038 ( 0.000 6.152 -0.098) 6.153 13.156 ( 0.000 -5.152 0.377) 5.166 13.691 ( 0.000 0.441 -5.990) 6.007 13.702 ( 0.000 -0.548 -6.950) 6.971 14.048 ( 0.000 1.985 -8.440) 8.670 14.078 ( 0.000 -0.846 -9.153) 9.192 14.709 ( 0.000 5.270 2.991) 6.060 14.773 ( 0.000 -0.907 -3.318) 3.440 14.826 ( 0.000 1.697 -8.022) 8.199 14.854 ( 0.000 -1.347 -11.220) 11.300 15.206 ( 0.000 6.324 18.158) 19.228 15.509 ( 0.000 -23.477 15.662) 28.222 16.629 ( 0.000 3.117 3.006) 4.330 16.657 ( 0.000 -0.448 4.288) 4.311 17.184 ( 0.000 11.319 -5.611) 12.633 17.356 ( 0.000 -5.169 -9.470) 10.789 17.889 ( 0.000 1.586 1.777) 2.382 17.939 ( 0.000 -2.866 1.616) 3.290 18.241 ( 0.000 1.791 -2.490) 3.067 18.279 ( 0.000 -1.578 -1.930) 2.493 18.613 ( 0.000 0.250 -0.692) 0.735 18.622 ( 0.000 -0.481 -0.067) 0.486 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 6.687 18.279 13.163) 23.497 1.466 ( 12.396 -5.136 19.999) 24.083 1.557 ( 10.841 -4.815 16.317) 20.173 1.648 ( 10.105 -4.155 20.930) 23.610 1.839 ( 11.741 -0.092 23.506) 26.276 1.911 ( 15.369 -6.449 8.523) 18.720 2.210 ( 3.897 7.242 11.524) 14.158 2.296 ( 4.287 -2.249 14.540) 15.324 2.397 ( -2.988 15.593 3.397) 16.236 2.573 ( 2.837 -1.206 8.005) 8.578 2.832 ( 10.249 -1.950 3.736) 11.082 2.894 ( -1.308 -2.559 5.821) 6.492 3.084 ( 5.126 -3.278 3.237) 6.891 3.118 ( 1.056 -1.072 1.396) 2.053 3.244 ( 4.605 -0.587 1.404) 4.850 3.304 ( 2.224 -5.100 5.318) 7.697 3.387 ( 6.802 5.942 3.609) 9.727 3.551 ( 8.785 -6.716 4.055) 11.778 3.665 ( 2.664 3.498 -3.846) 5.842 3.685 ( 1.366 1.163 -7.945) 8.145 3.858 ( 0.902 0.528 -6.670) 6.751 3.876 ( 0.817 -1.136 -4.865) 5.063 4.004 ( -2.321 2.327 -3.553) 4.840 4.035 ( -1.182 2.445 -2.338) 3.584 4.069 ( -2.311 1.258 -3.528) 4.401 4.127 ( 3.849 3.639 -0.977) 5.387 4.215 ( -2.063 -2.340 3.078) 4.383 4.278 ( 2.483 -3.502 1.618) 4.588 4.298 ( 0.038 -0.074 3.799) 3.800 4.378 ( 3.006 -6.505 1.712) 7.368 4.569 ( 8.774 5.633 2.416) 10.703 4.666 ( 6.719 -3.861 0.706) 7.781 4.753 ( -2.425 8.112 -6.187) 10.486 4.901 ( -0.220 -5.331 -6.811) 8.652 5.030 ( 1.327 8.967 1.461) 9.182 5.216 ( -0.516 -8.195 0.667) 8.238 5.522 ( -2.735 0.766 -9.645) 10.055 5.561 ( -3.777 -2.653 -10.585) 11.547 5.688 ( -4.263 2.596 -1.501) 5.212 5.706 ( -1.143 0.218 0.300) 1.202 5.815 ( -2.606 1.628 -6.308) 7.017 5.892 ( -2.204 -5.123 -2.798) 6.240 6.010 ( 0.684 4.622 -1.293) 4.848 6.054 ( -3.645 1.521 2.617) 4.738 6.063 ( -1.467 0.152 -6.715) 6.875 6.136 ( -2.980 0.341 -2.691) 4.030 6.220 ( -2.548 0.886 3.230) 4.208 6.241 ( 1.250 -1.715 2.037) 2.942 6.367 ( -0.148 0.171 3.759) 3.765 6.405 ( 4.310 -2.997 2.201) 5.693 6.622 ( 4.726 3.822 -2.300) 6.499 6.691 ( 3.045 -1.983 -3.835) 5.283 6.947 ( -1.040 3.012 1.202) 3.406 7.006 ( 0.918 -2.882 2.394) 3.857 7.170 ( 1.389 2.820 0.255) 3.154 7.241 ( -2.634 -1.702 -2.499) 4.010 7.557 ( 1.631 6.955 0.560) 7.166 7.682 ( -4.061 -1.425 0.682) 4.357 7.798 ( -0.549 -3.243 -0.184) 3.294 7.815 ( 3.159 -6.194 -2.753) 7.478 8.010 ( -3.956 1.699 0.979) 4.415 8.025 ( -2.178 0.482 0.134) 2.234 8.221 ( 3.345 2.582 -1.768) 4.581 8.257 ( 0.446 1.365 0.616) 1.562 8.358 ( 0.534 1.128 6.752) 6.867 8.488 ( -7.570 -9.107 9.677) 15.293 8.525 ( -1.750 10.034 4.966) 11.331 8.791 ( -1.902 -12.920 -2.238) 13.250 9.155 ( -0.586 1.406 -5.241) 5.458 9.230 ( 3.202 -5.030 -5.496) 8.109 9.622 ( 1.044 3.224 1.006) 3.534 9.712 ( -1.796 -4.381 -0.340) 4.747 9.894 ( -3.395 9.570 -2.788) 10.530 10.076 ( -5.782 -4.230 -0.235) 7.168 10.116 ( -5.533 9.947 -6.243) 12.981 10.144 ( -1.548 2.651 1.723) 3.521 10.238 ( -0.417 -2.008 5.130) 5.525 10.351 ( -4.393 -6.340 2.256) 8.037 10.474 ( -0.660 0.652 7.195) 7.255 10.485 ( 0.010 -0.410 7.799) 7.810 10.831 ( 5.949 5.883 3.699) 9.147 10.900 ( 9.175 -1.498 7.613) 12.016 11.082 ( 5.137 5.212 -1.062) 7.395 11.137 ( 14.742 -0.885 -6.521) 16.144 11.170 ( 12.666 1.518 -3.651) 13.269 11.288 ( -0.298 -7.138 -5.180) 8.825 11.538 ( 2.148 5.111 -2.412) 6.046 11.630 ( 1.602 -3.578 -2.574) 4.690 11.727 ( 0.083 2.294 0.585) 2.369 11.769 ( 0.184 -1.687 2.567) 3.077 12.079 ( -1.724 2.263 7.299) 7.833 12.164 ( -1.047 -5.147 11.394) 12.547 12.345 ( -5.616 6.419 -2.846) 8.991 12.483 ( -3.511 -6.836 -4.247) 8.780 12.671 ( 1.340 1.296 -0.997) 2.114 12.681 ( 2.628 0.135 -1.208) 2.896 12.816 ( 4.856 2.249 -1.856) 5.664 12.867 ( 2.851 -2.838 -0.679) 4.080 13.050 ( 1.445 5.091 -1.768) 5.579 13.151 ( 0.066 -4.522 -0.815) 4.596 13.818 ( 12.371 1.353 -5.795) 13.728 13.854 ( 13.768 -1.874 -6.595) 15.381 14.038 ( -2.078 0.838 -0.452) 2.286 14.046 ( -0.440 0.214 -0.653) 0.816 14.765 ( 3.866 2.933 -2.205) 5.330 14.789 ( 1.288 0.110 -5.417) 5.570 14.830 ( 0.705 1.326 -6.214) 6.393 14.858 ( 0.588 -1.276 -9.645) 9.747 15.377 ( 15.577 9.519 9.918) 20.776 15.709 ( 16.023 -22.213 2.115) 27.470 16.577 ( -4.881 3.753 2.215) 6.544 16.607 ( -4.535 -0.288 3.476) 5.721 17.033 ( -13.102 8.523 -4.022) 16.139 17.175 ( -16.538 -4.752 -6.714) 18.470 17.782 ( -10.248 1.991 1.520) 10.550 17.836 ( -9.989 -2.886 1.359) 10.486 18.184 ( -5.579 2.155 -3.355) 6.857 18.230 ( -4.979 -1.990 -3.596) 6.457 18.544 ( -6.597 0.507 -0.820) 6.668 18.561 ( -6.109 -0.976 -1.063) 6.277 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 12.414 14.022 8.522) 20.575 1.652 ( 9.143 -16.433 9.460) 21.051 1.836 ( 12.095 0.848 19.880) 23.285 1.894 ( 13.518 -4.240 15.326) 20.871 2.152 ( 11.209 8.404 10.243) 17.355 2.236 ( 12.870 0.431 12.743) 18.117 2.328 ( 8.302 7.520 3.049) 11.609 2.421 ( 12.697 5.553 13.819) 19.571 2.458 ( 8.800 0.529 7.106) 11.324 2.692 ( 9.364 -9.265 5.538) 14.290 2.861 ( 0.601 1.949 2.139) 2.955 2.985 ( 1.813 -8.497 2.615) 9.073 3.147 ( 3.223 3.692 -1.463) 5.114 3.246 ( 5.902 -4.911 2.917) 8.213 3.364 ( 4.097 1.549 4.801) 6.499 3.367 ( 6.895 0.389 3.125) 7.580 3.547 ( 5.868 1.582 2.817) 6.699 3.610 ( 1.189 -0.991 -1.255) 1.992 3.749 ( 2.028 2.027 -5.687) 6.369 3.808 ( 3.104 -2.885 -5.979) 7.328 3.869 ( -0.065 0.639 -0.860) 1.073 3.888 ( 0.539 -1.174 -4.531) 4.711 3.982 ( 2.044 0.699 -3.013) 3.708 4.001 ( 3.064 -0.864 -1.057) 3.354 4.101 ( 6.078 2.398 1.940) 6.816 4.184 ( 0.907 -4.567 2.666) 5.365 4.256 ( 4.255 8.374 2.886) 9.827 4.276 ( 3.060 3.399 -0.245) 4.580 4.348 ( 2.574 -3.478 1.636) 4.626 4.440 ( 4.081 -8.745 0.613) 9.670 4.659 ( -1.241 8.825 -4.519) 9.993 4.760 ( 5.084 -1.450 -1.647) 5.537 4.881 ( 8.947 0.488 -1.327) 9.058 4.936 ( 5.926 -3.742 -4.703) 8.440 5.083 ( 4.629 8.138 1.697) 9.515 5.210 ( 0.415 -3.923 -0.457) 3.971 5.396 ( -7.992 1.722 -6.349) 10.351 5.455 ( -6.021 -3.362 -8.519) 10.960 5.611 ( -3.649 4.457 -3.576) 6.779 5.692 ( -0.959 -3.539 1.314) 3.895 5.764 ( -2.710 -0.006 -5.638) 6.255 5.826 ( -3.853 -5.242 -2.612) 7.010 5.946 ( -6.863 1.208 -4.170) 8.121 5.998 ( -3.261 0.155 2.003) 3.830 6.003 ( -5.593 -1.832 -3.280) 6.737 6.051 ( -3.167 -2.117 1.264) 4.014 6.176 ( 0.004 7.479 0.323) 7.486 6.301 ( 3.355 -1.936 0.938) 3.985 6.362 ( 0.437 4.663 2.403) 5.264 6.497 ( 3.859 -6.118 2.244) 7.574 6.719 ( 3.277 4.470 -3.561) 6.588 6.746 ( 2.850 1.609 -3.575) 4.847 6.930 ( -0.316 1.915 1.869) 2.694 6.997 ( -3.285 -3.826 0.893) 5.121 7.171 ( 1.201 1.310 1.514) 2.334 7.222 ( 0.455 -3.337 1.294) 3.608 7.565 ( -2.744 2.176 3.400) 4.881 7.594 ( -3.694 0.327 1.608) 4.042 7.754 ( -3.247 2.283 1.246) 4.160 7.804 ( -6.083 0.019 1.970) 6.394 7.964 ( 0.038 -0.418 0.174) 0.455 8.006 ( 1.371 -3.803 0.792) 4.120 8.250 ( -4.542 -1.591 5.422) 7.250 8.274 ( -1.773 -2.904 6.979) 7.764 8.332 ( 6.252 5.481 -3.672) 9.089 8.448 ( 6.280 -3.090 -3.858) 7.992 8.598 ( 4.589 5.916 1.871) 7.717 8.761 ( -0.113 -9.854 -0.917) 9.897 9.163 ( 1.205 7.186 -5.267) 8.991 9.303 ( 3.439 -6.602 -6.093) 9.619 9.617 ( -4.359 1.974 -0.778) 4.848 9.642 ( -3.197 -0.051 -1.683) 3.614 9.859 ( -0.096 2.488 -0.167) 2.495 9.939 ( -4.966 -1.319 -1.498) 5.352 10.005 ( -6.032 6.474 0.747) 8.880 10.105 ( -3.193 0.282 0.384) 3.228 10.233 ( -0.896 -1.836 5.041) 5.439 10.289 ( -0.221 -3.314 2.516) 4.167 10.473 ( -0.009 1.798 6.431) 6.678 10.494 ( 0.498 -0.754 7.263) 7.319 10.930 ( 4.267 8.603 2.032) 9.815 11.088 ( 7.632 -5.033 4.627) 10.246 11.179 ( 4.996 1.070 3.710) 6.314 11.235 ( 0.313 -3.920 -2.849) 4.856 11.352 ( 3.857 0.335 -3.684) 5.344 11.388 ( 4.116 -2.837 -2.507) 5.592 11.611 ( 3.102 5.183 -0.331) 6.049 11.669 ( 0.981 -1.815 -0.426) 2.107 11.750 ( 2.990 4.174 1.083) 5.248 11.829 ( 5.145 -2.115 2.582) 6.133 12.033 ( -2.705 3.687 6.284) 7.772 12.133 ( -2.134 -5.605 9.435) 11.180 12.291 ( 2.221 2.757 -1.421) 3.815 12.387 ( -3.780 -6.305 -0.586) 7.375 12.729 ( 4.229 3.159 -2.044) 5.660 12.773 ( 4.454 -1.213 -1.737) 4.932 12.870 ( 0.759 1.580 -0.198) 1.764 12.921 ( 2.414 -2.501 0.048) 3.476 13.084 ( 1.172 4.398 -2.298) 5.098 13.165 ( 0.904 -3.271 -2.308) 4.104 14.016 ( 1.646 1.572 4.745) 5.263 14.049 ( 2.454 -1.428 5.186) 5.912 14.185 ( 21.787 2.301 -5.894) 22.688 14.243 ( 22.466 -3.070 -7.478) 23.876 14.812 ( 1.590 0.857 -5.428) 5.720 14.824 ( 1.290 0.239 -2.657) 2.963 14.857 ( 1.424 1.248 -4.863) 5.218 14.888 ( 2.280 -1.109 -6.055) 6.565 15.752 ( 18.936 9.904 -2.050) 21.468 16.012 ( 10.994 -14.622 -4.627) 18.870 16.447 ( -6.990 4.977 -0.717) 8.611 16.495 ( -5.843 -0.543 1.519) 6.062 16.743 ( -13.093 0.481 -3.706) 13.616 16.761 ( -21.417 -0.981 -2.503) 21.585 17.483 ( -18.811 2.376 0.650) 18.972 17.539 ( -18.830 -2.765 0.536) 19.040 18.026 ( -9.408 2.438 -4.522) 10.719 18.080 ( -9.210 -2.389 -5.895) 11.193 18.354 ( -11.643 0.780 -1.878) 11.819 18.379 ( -11.244 -1.464 -2.521) 11.616 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 11.780 12.328 4.827) 17.721 1.837 ( 7.917 -8.822 5.617) 13.117 2.028 ( 5.380 -0.012 6.965) 8.801 2.115 ( 6.799 -5.744 11.353) 14.426 2.326 ( 12.198 7.955 12.360) 19.101 2.468 ( 11.568 3.218 7.399) 14.104 2.514 ( 7.650 -3.684 10.002) 13.121 2.596 ( 8.510 -5.725 3.827) 10.947 2.777 ( 11.648 9.678 5.029) 15.957 2.928 ( 9.311 -0.787 -2.739) 9.738 2.948 ( 9.850 -1.255 3.111) 10.405 3.001 ( 1.064 -8.862 2.964) 9.405 3.163 ( -1.017 5.763 -1.263) 5.987 3.265 ( -2.869 -2.682 -0.668) 3.984 3.406 ( -7.869 2.128 -0.492) 8.167 3.449 ( 1.276 0.430 1.794) 2.243 3.528 ( -0.036 1.095 5.690) 5.794 3.620 ( -2.454 -3.152 4.877) 6.305 3.815 ( 2.280 -0.688 -5.389) 5.892 3.831 ( 3.614 -2.184 -3.764) 5.657 3.871 ( 2.549 -0.543 1.282) 2.904 3.899 ( -0.843 -2.422 0.401) 2.596 4.050 ( 3.452 2.939 -1.764) 4.864 4.092 ( 0.132 1.225 -1.213) 1.729 4.157 ( 3.769 1.195 0.231) 3.960 4.213 ( 2.270 -1.404 2.572) 3.707 4.403 ( 5.500 4.399 2.008) 7.324 4.454 ( 9.820 -0.281 -1.420) 9.927 4.536 ( 19.647 0.943 0.393) 19.673 4.581 ( 11.094 -4.812 -0.708) 12.113 4.667 ( 3.047 3.358 -3.494) 5.724 4.768 ( -2.404 -5.904 -6.824) 9.338 4.985 ( 0.791 3.864 -1.458) 4.205 5.047 ( 0.571 -1.876 -3.439) 3.959 5.212 ( 3.781 5.479 -3.080) 7.336 5.242 ( -0.488 0.781 0.068) 0.924 5.316 ( 5.628 2.948 -0.671) 6.389 5.380 ( 1.097 -2.005 -6.979) 7.344 5.520 ( -4.780 3.805 -5.084) 7.948 5.625 ( -6.566 -4.889 -1.729) 8.367 5.688 ( -5.572 -1.734 -2.016) 6.174 5.740 ( -5.221 -4.470 -1.717) 7.084 5.794 ( -6.790 1.224 -3.133) 7.577 5.839 ( -7.420 -2.986 -4.152) 9.012 5.933 ( -2.224 4.115 1.280) 4.850 6.030 ( 1.207 -5.648 4.512) 7.329 6.186 ( -0.308 7.772 -1.389) 7.901 6.331 ( -0.818 -6.314 -1.233) 6.485 6.402 ( 3.218 8.720 4.420) 10.292 6.565 ( 2.739 -6.872 3.538) 8.200 6.703 ( -4.318 5.478 -2.908) 7.557 6.800 ( -1.465 -3.527 -0.574) 3.862 6.929 ( 1.656 2.522 3.451) 4.583 6.967 ( 4.500 -1.113 3.324) 5.704 7.236 ( 3.916 -0.176 1.795) 4.311 7.249 ( 2.160 -1.361 1.573) 2.999 7.455 ( -6.313 2.656 4.714) 8.315 7.501 ( -6.165 -1.604 3.667) 7.350 7.646 ( -7.823 2.510 2.130) 8.487 7.668 ( -5.901 0.903 3.324) 6.833 7.989 ( 2.111 1.185 -1.609) 2.907 8.049 ( 2.525 -4.940 -0.981) 5.634 8.140 ( -3.930 2.158 4.085) 6.065 8.267 ( -1.384 -9.163 2.508) 9.600 8.506 ( 9.870 6.100 -2.732) 11.921 8.613 ( 9.059 -1.470 -5.387) 10.642 8.705 ( 5.741 3.758 -1.784) 7.090 8.802 ( 3.859 -4.967 -1.399) 6.444 9.184 ( 0.341 10.001 -4.290) 10.888 9.340 ( -0.437 -5.466 -4.648) 7.189 9.474 ( -8.107 2.508 -0.849) 8.528 9.541 ( -7.409 -3.570 -1.324) 8.330 9.859 ( -0.563 3.723 1.414) 4.022 9.898 ( -0.133 -1.289 2.589) 2.896 9.917 ( -0.974 0.147 0.218) 1.009 10.015 ( -4.601 -4.883 -0.099) 6.710 10.229 ( 0.919 5.387 3.406) 6.439 10.319 ( 1.977 -1.265 2.362) 3.330 10.450 ( -2.085 3.244 3.799) 5.413 10.498 ( -0.451 -2.105 4.101) 4.632 11.035 ( 6.138 5.055 3.197) 8.570 11.169 ( 1.877 -6.638 0.074) 6.898 11.246 ( 1.835 0.724 2.868) 3.481 11.295 ( 2.958 -4.411 3.278) 6.241 11.382 ( 0.875 1.522 1.150) 2.099 11.426 ( 1.313 -1.588 1.271) 2.422 11.621 ( -1.487 4.571 3.647) 6.033 11.672 ( -0.702 -0.754 2.415) 2.626 11.797 ( 0.367 5.335 3.379) 6.326 11.857 ( -1.766 -1.606 4.559) 5.146 11.994 ( -2.105 0.983 4.713) 5.255 12.072 ( -3.268 -6.559 7.147) 10.237 12.399 ( 6.501 1.499 -0.435) 6.686 12.450 ( 10.413 -2.885 -0.907) 10.844 12.806 ( 1.567 2.283 -2.463) 3.706 12.848 ( 2.593 0.837 -2.468) 3.676 12.869 ( 0.226 1.386 -0.558) 1.511 12.950 ( 0.647 -3.935 0.310) 4.000 13.080 ( -1.658 4.756 -2.166) 5.483 13.163 ( -1.558 -2.923 -3.225) 4.623 14.113 ( 8.085 1.435 1.623) 8.371 14.145 ( 7.562 -1.427 2.197) 8.003 14.663 ( 20.341 0.842 -5.224) 21.018 14.696 ( 14.961 -2.409 -6.224) 16.382 14.800 ( -0.712 1.229 -1.730) 2.238 14.813 ( -1.471 0.019 -2.538) 2.933 14.927 ( 7.404 2.642 -2.895) 8.377 14.987 ( 9.043 -2.741 -3.853) 10.205 16.052 ( 4.356 0.180 0.206) 4.365 16.057 ( -3.578 -0.214 3.283) 4.860 16.334 ( -6.935 3.324 -3.779) 8.569 16.390 ( 2.529 -1.956 -5.977) 6.779 16.480 ( -2.571 4.238 -1.041) 5.065 16.581 ( -3.313 -4.654 -5.207) 7.730 17.029 ( -25.163 2.443 -0.390) 25.284 17.085 ( -25.147 -2.634 -0.801) 25.298 17.832 ( -8.498 2.650 -5.491) 10.458 17.890 ( -8.248 -2.413 -7.692) 11.533 18.091 ( -13.444 1.151 -3.681) 13.986 18.127 ( -12.723 -1.981 -4.453) 13.625 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 8.325 12.521 3.630) 15.468 1.907 ( -2.069 9.737 4.294) 10.841 2.104 ( 4.248 -12.819 2.905) 13.814 2.174 ( -1.229 -11.394 5.698) 12.799 2.610 ( 13.445 3.055 5.513) 14.849 2.683 ( 8.128 -1.869 5.506) 9.994 2.703 ( 9.752 -0.363 4.044) 10.563 2.767 ( 4.924 -3.641 2.476) 6.605 2.906 ( 3.485 3.707 6.724) 8.432 2.969 ( -1.618 0.637 0.689) 1.870 2.992 ( -3.374 2.482 3.148) 5.240 3.065 ( -5.146 -1.688 3.124) 6.252 3.105 ( -3.015 7.072 -0.933) 7.744 3.176 ( -6.122 6.325 1.961) 9.018 3.300 ( 2.675 -7.211 -2.219) 8.005 3.368 ( -4.277 -8.380 -0.341) 9.414 3.588 ( 7.461 4.420 5.504) 10.271 3.681 ( 4.079 -4.139 3.663) 6.869 3.752 ( -5.904 -0.080 1.854) 6.189 3.781 ( -6.118 -1.802 2.653) 6.908 3.919 ( 3.965 4.102 -1.222) 5.835 3.982 ( 0.609 3.663 0.397) 3.735 4.019 ( 0.661 0.985 -0.156) 1.196 4.093 ( -3.365 -3.510 2.086) 5.291 4.286 ( 8.283 1.189 -3.407) 9.035 4.361 ( 9.675 -3.968 -3.602) 11.060 4.431 ( -2.738 4.403 -2.192) 5.629 4.542 ( -3.926 -4.686 -3.928) 7.266 4.739 ( 6.047 -0.369 -4.214) 7.380 4.782 ( 8.285 -3.082 -3.706) 9.585 4.875 ( 0.460 3.015 -1.252) 3.297 4.951 ( 8.438 2.753 -3.921) 9.703 4.965 ( 2.186 -4.187 -1.552) 4.971 4.983 ( 11.947 0.502 -3.086) 12.349 5.215 ( -0.823 4.996 -0.590) 5.098 5.250 ( -6.154 1.925 -1.490) 6.618 5.320 ( -3.931 7.705 -3.432) 9.306 5.390 ( -8.149 2.834 -3.160) 9.188 5.457 ( -0.682 -2.879 -3.490) 4.575 5.518 ( -5.199 -6.088 -3.739) 8.836 5.575 ( 3.514 1.390 1.011) 3.912 5.657 ( 0.333 -6.578 -2.253) 6.961 5.677 ( -5.161 1.144 -0.218) 5.291 5.733 ( -4.695 -4.100 -1.647) 6.447 5.979 ( 6.724 6.540 -0.648) 9.403 6.107 ( 2.123 -0.822 0.210) 2.286 6.139 ( -0.795 0.094 -0.823) 1.148 6.266 ( -5.766 -7.069 -1.331) 9.219 6.473 ( 3.845 8.266 4.080) 9.988 6.569 ( -5.072 6.168 2.790) 8.459 6.633 ( 1.894 -5.801 3.339) 6.957 6.706 ( -4.835 -5.767 3.396) 8.256 7.065 ( 8.836 3.031 3.541) 9.990 7.106 ( 8.315 -1.018 4.268) 9.402 7.235 ( -6.143 1.694 3.411) 7.228 7.262 ( -4.701 -0.998 4.242) 6.411 7.388 ( 2.319 1.893 2.742) 4.060 7.421 ( 2.102 -0.937 2.214) 3.194 7.494 ( -6.771 2.013 1.995) 7.341 7.533 ( -6.884 -1.278 2.790) 7.537 8.025 ( 1.602 3.131 -0.564) 3.562 8.064 ( -2.112 3.781 1.912) 4.734 8.136 ( 3.888 -7.013 -1.642) 8.185 8.215 ( -3.449 -9.864 -0.015) 10.450 8.701 ( 8.149 6.339 -3.142) 10.791 8.765 ( 3.424 5.991 -4.600) 8.293 8.817 ( 5.053 -1.585 -5.443) 7.594 8.870 ( 0.935 -2.263 -4.906) 5.483 9.188 ( 1.503 8.264 -0.733) 8.431 9.283 ( -6.101 1.235 0.888) 6.288 9.330 ( -2.370 -2.077 -0.135) 3.154 9.386 ( -6.467 -4.586 -0.411) 7.939 9.863 ( 1.374 1.080 1.449) 2.270 9.895 ( -1.095 -1.859 1.915) 2.885 9.926 ( 1.035 -3.812 0.353) 3.965 9.951 ( -1.617 -5.024 -0.264) 5.284 10.267 ( 2.735 9.340 2.464) 10.039 10.325 ( -2.105 7.667 2.371) 8.297 10.430 ( 1.116 -3.547 1.450) 3.991 10.470 ( -2.072 -4.089 1.518) 4.829 11.155 ( 4.830 2.488 2.325) 5.910 11.208 ( 0.653 -0.202 1.177) 1.361 11.257 ( 0.478 -3.275 1.685) 3.714 11.297 ( -1.979 -5.068 1.271) 5.587 11.435 ( 4.285 1.823 5.216) 6.992 11.486 ( 4.539 -2.081 6.385) 8.105 11.547 ( -4.855 2.190 6.056) 8.064 11.617 ( -5.736 -3.954 6.597) 9.595 11.786 ( 1.816 8.594 4.726) 9.975 11.846 ( -2.063 5.557 4.790) 7.621 11.955 ( 0.747 -4.918 3.328) 5.985 12.008 ( -3.224 -6.823 4.482) 8.777 12.572 ( 9.040 4.304 0.436) 10.022 12.668 ( 9.970 -4.445 0.538) 10.929 12.735 ( -6.553 3.739 0.944) 7.604 12.832 ( -5.470 -4.868 0.655) 7.352 12.924 ( 4.397 4.871 -3.807) 7.586 12.989 ( 1.434 1.592 -3.821) 4.381 13.031 ( -1.007 0.731 -3.867) 4.062 13.101 ( -4.190 -3.116 -4.600) 6.959 14.333 ( 12.725 0.800 -1.836) 12.882 14.352 ( 12.129 -0.901 -1.571) 12.263 14.592 ( -11.481 0.429 -2.640) 11.789 14.606 ( -11.709 -0.852 -2.486) 12.000 14.999 ( 10.148 2.089 -1.199) 10.430 15.039 ( 10.017 -1.357 -1.312) 10.193 15.107 ( 3.999 2.338 -0.561) 4.666 15.165 ( 1.703 -2.691 -0.522) 3.227 16.056 ( 10.676 1.327 1.785) 10.906 16.101 ( 11.444 -3.024 -0.637) 11.854 16.399 ( 3.840 4.021 -3.840) 6.757 16.437 ( -5.240 0.301 -1.410) 5.435 16.488 ( -5.645 1.572 -1.449) 6.036 16.510 ( -12.044 1.248 -2.625) 12.390 16.539 ( -8.246 -2.905 -3.916) 9.580 16.561 ( -17.291 -2.250 -2.593) 17.628 17.729 ( -0.488 3.373 -6.247) 7.116 17.786 ( -2.085 -0.199 -7.637) 7.919 17.850 ( -7.960 -0.296 -6.555) 10.316 17.898 ( -8.736 -3.042 -7.097) 11.660 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 0.000 17.001) 17.001 1.675 ( 0.000 0.000 25.461) 25.461 1.948 ( 0.000 0.000 21.945) 21.945 2.029 ( 0.000 0.000 17.516) 17.516 2.128 ( 0.000 0.000 -7.254) 7.254 2.158 ( 0.000 0.000 12.003) 12.003 2.192 ( 0.000 0.000 2.178) 2.178 2.334 ( 0.000 0.000 18.049) 18.049 2.592 ( 0.000 0.000 34.551) 34.551 2.622 ( 0.000 0.000 -6.605) 6.605 2.893 ( 0.000 0.000 13.489) 13.489 2.910 ( 0.000 0.000 -1.617) 1.617 3.141 ( 0.000 0.000 -0.463) 0.463 3.173 ( 0.000 0.000 3.210) 3.210 3.338 ( 0.000 0.000 14.057) 14.057 3.381 ( 0.000 0.000 -13.803) 13.803 3.488 ( 0.000 0.000 -1.434) 1.434 3.535 ( 0.000 0.000 -6.029) 6.029 3.550 ( 0.000 0.000 5.015) 5.015 3.637 ( 0.000 0.000 8.619) 8.619 3.810 ( 0.000 0.000 -4.986) 4.986 3.813 ( 0.000 0.000 8.274) 8.274 3.868 ( 0.000 0.000 -3.156) 3.156 3.886 ( 0.000 0.000 -8.963) 8.963 3.924 ( 0.000 0.000 2.382) 2.382 4.013 ( 0.000 0.000 -6.633) 6.633 4.341 ( 0.000 0.000 0.986) 0.986 4.349 ( 0.000 0.000 1.068) 1.068 4.392 ( 0.000 0.000 6.096) 6.096 4.463 ( 0.000 0.000 8.762) 8.762 4.538 ( 0.000 0.000 6.355) 6.355 4.629 ( 0.000 0.000 -2.999) 2.999 4.644 ( 0.000 0.000 0.657) 0.657 4.812 ( 0.000 0.000 -6.124) 6.124 4.955 ( 0.000 0.000 2.211) 2.211 5.346 ( 0.000 0.000 -8.201) 8.201 5.357 ( 0.000 0.000 -3.881) 3.881 5.455 ( 0.000 0.000 -10.593) 10.593 5.520 ( 0.000 0.000 -9.663) 9.663 5.685 ( 0.000 0.000 0.058) 0.058 5.711 ( 0.000 0.000 -7.942) 7.942 5.786 ( 0.000 0.000 -13.531) 13.531 5.907 ( 0.000 0.000 1.644) 1.644 5.908 ( 0.000 0.000 -9.043) 9.043 6.130 ( 0.000 0.000 6.355) 6.355 6.163 ( 0.000 0.000 0.656) 0.656 6.219 ( 0.000 0.000 -0.425) 0.425 6.267 ( 0.000 0.000 1.595) 1.595 6.461 ( 0.000 0.000 4.700) 4.700 6.493 ( 0.000 0.000 -0.356) 0.356 6.633 ( 0.000 0.000 3.733) 3.733 6.784 ( 0.000 0.000 4.213) 4.213 6.946 ( 0.000 0.000 1.440) 1.440 7.000 ( 0.000 0.000 1.058) 1.058 7.089 ( 0.000 0.000 1.806) 1.806 7.194 ( 0.000 0.000 -6.940) 6.940 7.452 ( 0.000 0.000 3.610) 3.610 7.662 ( 0.000 0.000 -4.886) 4.886 7.734 ( 0.000 0.000 -6.675) 6.675 7.884 ( 0.000 0.000 -2.328) 2.328 8.005 ( 0.000 0.000 -1.532) 1.532 8.036 ( 0.000 0.000 4.419) 4.419 8.169 ( 0.000 0.000 -4.604) 4.604 8.270 ( 0.000 0.000 2.058) 2.058 8.354 ( 0.000 0.000 3.528) 3.528 8.562 ( 0.000 0.000 9.725) 9.725 8.735 ( 0.000 0.000 -10.642) 10.642 8.917 ( 0.000 0.000 -1.433) 1.433 9.225 ( 0.000 0.000 -2.020) 2.020 9.272 ( 0.000 0.000 -0.650) 0.650 9.586 ( 0.000 0.000 -0.160) 0.160 9.680 ( 0.000 0.000 -2.121) 2.121 9.717 ( 0.000 0.000 -7.234) 7.234 9.863 ( 0.000 0.000 -3.794) 3.794 10.116 ( 0.000 0.000 1.652) 1.652 10.177 ( 0.000 0.000 1.636) 1.636 10.429 ( 0.000 0.000 2.838) 2.838 10.531 ( 0.000 0.000 3.707) 3.707 10.588 ( 0.000 0.000 4.483) 4.483 10.597 ( 0.000 0.000 6.771) 6.771 10.786 ( 0.000 0.000 5.440) 5.440 10.820 ( 0.000 0.000 -2.955) 2.955 10.980 ( 0.000 0.000 2.048) 2.048 10.985 ( 0.000 0.000 9.096) 9.096 11.069 ( 0.000 0.000 5.875) 5.875 11.268 ( 0.000 0.000 -5.400) 5.400 11.417 ( 0.000 0.000 -1.923) 1.923 11.664 ( 0.000 0.000 -1.231) 1.231 11.666 ( 0.000 0.000 1.338) 1.338 11.850 ( 0.000 0.000 3.155) 3.155 12.194 ( 0.000 0.000 3.237) 3.237 12.234 ( 0.000 0.000 -6.813) 6.813 12.442 ( 0.000 0.000 -3.782) 3.782 12.482 ( 0.000 0.000 -8.323) 8.323 12.522 ( 0.000 0.000 9.179) 9.179 12.626 ( 0.000 0.000 1.987) 1.987 12.788 ( 0.000 0.000 0.335) 0.335 12.841 ( 0.000 0.000 -0.813) 0.813 12.969 ( 0.000 0.000 0.998) 0.998 13.203 ( 0.000 0.000 -2.134) 2.134 13.567 ( 0.000 0.000 -6.425) 6.425 13.584 ( 0.000 0.000 -4.625) 4.625 13.846 ( 0.000 0.000 -9.502) 9.502 13.889 ( 0.000 0.000 -10.269) 10.269 14.606 ( 0.000 0.000 -7.884) 7.884 14.657 ( 0.000 0.000 -9.274) 9.274 14.704 ( 0.000 0.000 1.641) 1.641 14.777 ( 0.000 0.000 -0.830) 0.830 15.441 ( 0.000 0.000 12.436) 12.436 15.857 ( 0.000 0.000 -1.407) 1.407 16.680 ( 0.000 0.000 6.951) 6.951 16.784 ( 0.000 0.000 7.278) 7.278 17.048 ( 0.000 0.000 0.921) 0.921 17.221 ( 0.000 0.000 -8.539) 8.539 17.922 ( 0.000 0.000 2.477) 2.477 18.005 ( 0.000 0.000 1.239) 1.239 18.171 ( 0.000 0.000 -2.010) 2.010 18.250 ( 0.000 0.000 -2.647) 2.647 18.581 ( 0.000 0.000 -1.478) 1.478 18.613 ( 0.000 0.000 -1.310) 1.310 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 6.725 0.000 15.216) 16.636 1.860 ( 16.452 0.000 22.165) 27.604 2.029 ( 7.179 0.000 19.323) 20.613 2.090 ( 3.185 0.000 14.512) 14.858 2.113 ( -1.060 0.000 0.152) 1.070 2.170 ( -1.027 0.000 3.144) 3.308 2.261 ( 11.649 0.000 12.566) 17.135 2.422 ( 8.439 0.000 7.764) 11.467 2.630 ( 3.560 0.000 32.766) 32.959 2.647 ( 0.894 0.000 -2.010) 2.200 2.903 ( -0.646 0.000 -1.150) 1.319 2.978 ( 7.553 0.000 9.193) 11.898 3.145 ( 0.189 0.000 -0.940) 0.959 3.226 ( 4.339 0.000 2.097) 4.819 3.380 ( 3.741 0.000 1.791) 4.147 3.437 ( 4.548 0.000 -1.105) 4.680 3.469 ( 0.942 0.000 -2.885) 3.035 3.561 ( 1.732 0.000 2.734) 3.236 3.608 ( 5.280 0.000 -0.013) 5.280 3.718 ( 4.886 0.000 3.808) 6.195 3.724 ( -6.459 0.000 3.385) 7.293 3.803 ( 1.963 0.000 -2.357) 3.067 3.901 ( 3.780 0.000 -4.338) 5.754 3.932 ( 3.795 0.000 -3.818) 5.383 3.988 ( -2.282 0.000 -5.212) 5.690 4.017 ( 7.485 0.000 3.570) 8.293 4.306 ( -3.648 0.000 -1.315) 3.878 4.330 ( -0.476 0.000 2.857) 2.897 4.401 ( 1.377 0.000 5.137) 5.319 4.549 ( -4.807 0.000 3.151) 5.748 4.564 ( 2.400 0.000 5.640) 6.129 4.585 ( 7.652 0.000 0.932) 7.708 4.719 ( 6.684 0.000 1.279) 6.806 4.816 ( 0.395 0.000 -6.773) 6.785 4.985 ( 2.748 0.000 3.374) 4.351 5.286 ( -5.794 0.000 -5.681) 8.114 5.362 ( 0.859 0.000 -8.222) 8.266 5.377 ( -6.327 0.000 -10.063) 11.887 5.512 ( -2.381 0.000 -7.467) 7.837 5.635 ( -2.000 0.000 -2.032) 2.851 5.723 ( 0.753 0.000 -7.456) 7.494 5.792 ( -1.210 0.000 -12.490) 12.548 5.924 ( 0.167 0.000 -8.449) 8.451 5.941 ( 3.305 0.000 1.817) 3.772 6.103 ( -2.748 0.000 5.783) 6.402 6.173 ( 1.804 0.000 1.751) 2.514 6.245 ( -2.825 0.000 1.210) 3.073 6.276 ( 4.533 0.000 -2.043) 4.972 6.449 ( -8.498 0.000 3.835) 9.324 6.505 ( 4.166 0.000 4.811) 6.364 6.580 ( -5.378 0.000 1.493) 5.582 6.654 ( 1.947 0.000 2.277) 2.996 6.948 ( 0.313 0.000 1.828) 1.855 7.096 ( 0.358 0.000 1.531) 1.573 7.160 ( -2.574 0.000 -5.294) 5.887 7.178 ( 7.478 0.000 -1.235) 7.579 7.481 ( 2.841 0.000 2.959) 4.102 7.674 ( 1.155 0.000 -0.950) 1.495 7.768 ( 1.808 0.000 -4.312) 4.676 7.888 ( 0.111 0.000 -1.631) 1.635 7.986 ( -1.746 0.000 -1.415) 2.247 8.036 ( 1.794 0.000 2.577) 3.140 8.109 ( -5.391 0.000 -4.048) 6.742 8.255 ( -0.120 0.000 2.145) 2.148 8.415 ( 4.471 0.000 0.663) 4.520 8.565 ( 0.149 0.000 8.604) 8.605 8.728 ( -0.382 0.000 -10.596) 10.602 8.781 ( -11.872 0.000 3.865) 12.485 9.156 ( -5.545 0.000 -1.597) 5.771 9.253 ( 0.152 0.000 -2.424) 2.428 9.584 ( -1.969 0.000 -2.893) 3.500 9.628 ( -1.744 0.000 -1.022) 2.021 9.751 ( 1.382 0.000 -5.780) 5.943 9.850 ( -0.489 0.000 -1.699) 1.768 10.097 ( -1.483 0.000 1.508) 2.115 10.158 ( -2.058 0.000 1.765) 2.711 10.409 ( -1.055 0.000 4.371) 4.496 10.491 ( -3.921 0.000 3.857) 5.500 10.586 ( -1.604 0.000 5.604) 5.829 10.608 ( 0.161 0.000 4.101) 4.104 10.813 ( 5.453 0.000 4.981) 7.385 11.046 ( 14.186 0.000 -3.615) 14.639 11.080 ( 8.342 0.000 8.416) 11.850 11.106 ( 10.489 0.000 -1.674) 10.621 11.152 ( 7.562 0.000 6.971) 10.284 11.277 ( 2.144 0.000 -3.899) 4.449 11.428 ( 0.975 0.000 -1.550) 1.831 11.671 ( 0.640 0.000 1.426) 1.563 11.672 ( 0.934 0.000 -1.105) 1.447 11.851 ( 0.688 0.000 3.318) 3.388 12.151 ( -3.710 0.000 2.772) 4.631 12.199 ( -1.850 0.000 -4.147) 4.541 12.430 ( -2.005 0.000 1.959) 2.803 12.506 ( 0.380 0.000 -6.955) 6.965 12.548 ( 3.172 0.000 2.555) 4.073 12.682 ( 4.251 0.000 1.303) 4.446 12.778 ( 1.212 0.000 0.407) 1.279 12.909 ( 4.302 0.000 -2.373) 4.913 12.950 ( -1.187 0.000 0.986) 1.543 13.176 ( -1.610 0.000 -2.322) 2.826 13.694 ( 12.278 0.000 -5.519) 13.462 13.735 ( 13.703 0.000 -6.733) 15.268 13.936 ( 6.731 0.000 -7.572) 10.131 13.938 ( 5.128 0.000 -8.064) 9.556 14.622 ( 1.848 0.000 -6.837) 7.082 14.676 ( 1.979 0.000 -8.373) 8.603 14.721 ( 1.648 0.000 0.967) 1.911 14.802 ( 2.070 0.000 -0.582) 2.150 15.494 ( 5.360 0.000 9.128) 10.585 15.896 ( 4.007 0.000 -5.090) 6.478 16.605 ( -7.149 0.000 6.780) 9.853 16.713 ( -6.572 0.000 6.179) 9.021 16.933 ( -10.197 0.000 0.756) 10.225 17.086 ( -12.813 0.000 -6.539) 14.385 17.804 ( -11.354 0.000 2.235) 11.572 17.895 ( -10.691 0.000 0.890) 10.728 18.106 ( -6.127 0.000 -2.005) 6.447 18.186 ( -6.158 0.000 -2.984) 6.843 18.507 ( -7.201 0.000 -1.855) 7.436 18.540 ( -7.117 0.000 -1.862) 7.357 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 10.005 0.000 11.324) 15.111 2.057 ( -2.987 0.000 3.822) 4.851 2.145 ( 3.602 0.000 10.641) 11.234 2.195 ( 6.218 0.000 7.143) 9.470 2.253 ( 10.500 0.000 10.727) 15.011 2.254 ( 19.059 0.000 17.546) 25.906 2.571 ( 16.198 0.000 12.022) 20.171 2.625 ( 8.913 0.000 -4.313) 9.902 2.674 ( 3.912 0.000 5.916) 7.092 2.703 ( 1.636 0.000 20.435) 20.501 2.916 ( 4.309 0.000 3.713) 5.688 3.070 ( -0.544 0.000 1.544) 1.637 3.157 ( 1.283 0.000 -0.741) 1.482 3.365 ( 8.147 0.000 2.933) 8.659 3.438 ( -0.093 0.000 -6.597) 6.598 3.483 ( -1.807 0.000 5.749) 6.027 3.508 ( 1.965 0.000 7.682) 7.929 3.619 ( 3.163 0.000 -2.319) 3.922 3.643 ( 1.039 0.000 -8.195) 8.260 3.766 ( 3.073 0.000 -2.113) 3.729 3.770 ( 11.562 0.000 4.162) 12.288 3.887 ( -4.520 0.000 -4.526) 6.397 3.927 ( 5.482 0.000 -0.628) 5.518 4.004 ( 4.176 0.000 1.962) 4.614 4.121 ( 13.142 0.000 1.181) 13.195 4.198 ( 7.090 0.000 0.167) 7.092 4.254 ( 2.133 0.000 -2.509) 3.293 4.277 ( -3.550 0.000 5.839) 6.834 4.439 ( -3.444 0.000 3.189) 4.693 4.463 ( 4.755 0.000 1.936) 5.134 4.622 ( 2.887 0.000 4.159) 5.063 4.733 ( 2.186 0.000 -3.700) 4.297 4.874 ( 6.556 0.000 -1.409) 6.705 4.876 ( 8.129 0.000 -4.374) 9.231 5.035 ( 0.592 0.000 4.235) 4.276 5.176 ( -3.043 0.000 -6.914) 7.554 5.266 ( -2.615 0.000 -5.285) 5.896 5.351 ( -1.988 0.000 -8.123) 8.363 5.419 ( -5.615 0.000 -3.064) 6.397 5.624 ( -0.321 0.000 -4.050) 4.063 5.721 ( -5.539 0.000 -11.046) 12.357 5.741 ( 1.203 0.000 -6.246) 6.361 5.887 ( -3.509 0.000 -5.833) 6.807 6.012 ( -6.325 0.000 4.257) 7.624 6.017 ( 3.254 0.000 -0.171) 3.259 6.084 ( -12.366 0.000 -0.256) 12.368 6.238 ( 4.076 0.000 2.272) 4.667 6.293 ( -3.029 0.000 7.298) 7.901 6.367 ( 3.943 0.000 -1.484) 4.213 6.562 ( -0.153 0.000 -4.157) 4.159 6.613 ( 5.624 0.000 4.081) 6.949 6.736 ( 6.150 0.000 4.644) 7.706 6.968 ( 1.817 0.000 2.174) 2.833 7.044 ( -4.645 0.000 -0.205) 4.649 7.168 ( 3.125 0.000 -0.180) 3.130 7.252 ( 1.208 0.000 -2.760) 3.013 7.559 ( 4.031 0.000 1.673) 4.364 7.646 ( -4.391 0.000 4.099) 6.007 7.754 ( -3.635 0.000 0.444) 3.662 7.847 ( -5.547 0.000 2.005) 5.898 7.942 ( -2.218 0.000 -1.982) 2.975 8.012 ( -1.715 0.000 -4.669) 4.974 8.180 ( 11.285 0.000 -0.598) 11.301 8.301 ( 5.008 0.000 -1.443) 5.212 8.502 ( 3.758 0.000 -2.237) 4.374 8.512 ( -10.826 0.000 6.567) 12.662 8.565 ( -2.928 0.000 6.550) 7.175 8.734 ( 1.063 0.000 -10.399) 10.453 9.053 ( -3.099 0.000 1.017) 3.262 9.298 ( 3.290 0.000 -4.462) 5.544 9.495 ( -5.179 0.000 -2.501) 5.751 9.602 ( -2.567 0.000 -3.432) 4.286 9.788 ( 3.208 0.000 -0.931) 3.340 9.867 ( 1.953 0.000 -0.581) 2.038 10.046 ( -4.122 0.000 2.361) 4.751 10.104 ( -2.406 0.000 1.400) 2.784 10.380 ( -6.455 0.000 4.221) 7.713 10.409 ( 1.076 0.000 4.222) 4.357 10.522 ( -4.571 0.000 3.829) 5.963 10.598 ( -0.998 0.000 2.450) 2.645 10.943 ( 7.052 0.000 6.504) 9.593 11.214 ( 1.130 0.000 -1.673) 2.019 11.263 ( 7.875 0.000 7.454) 10.843 11.273 ( 6.895 0.000 -3.563) 7.761 11.336 ( 9.630 0.000 8.645) 12.941 11.439 ( 9.322 0.000 -1.980) 9.530 11.451 ( 1.152 0.000 -0.520) 1.264 11.694 ( 1.682 0.000 1.360) 2.164 11.713 ( 3.330 0.000 -0.578) 3.380 11.912 ( 5.330 0.000 3.559) 6.409 12.061 ( -4.767 0.000 2.223) 5.260 12.224 ( 5.666 0.000 -2.163) 6.065 12.365 ( -4.212 0.000 3.306) 5.355 12.475 ( -2.581 0.000 -0.921) 2.740 12.626 ( 3.984 0.000 -0.646) 4.036 12.757 ( 2.682 0.000 -1.175) 2.928 12.824 ( 2.074 0.000 -2.069) 2.929 12.943 ( 0.464 0.000 0.016) 0.465 12.986 ( 2.954 0.000 -2.699) 4.001 13.152 ( -1.095 0.000 -3.031) 3.222 14.026 ( 3.984 0.000 -1.540) 4.272 14.054 ( 22.522 0.000 -5.415) 23.164 14.090 ( 6.068 0.000 -2.737) 6.657 14.115 ( 22.951 0.000 -8.206) 24.374 14.697 ( 5.929 0.000 -3.933) 7.115 14.750 ( 5.710 0.000 -5.922) 8.227 14.761 ( 1.413 0.000 -1.157) 1.826 14.833 ( 0.018 0.000 -0.684) 0.684 15.669 ( 11.977 0.000 1.833) 12.117 16.029 ( 8.910 0.000 -11.017) 14.170 16.404 ( -12.024 0.000 6.172) 13.516 16.554 ( -7.671 0.000 3.594) 8.471 16.700 ( -10.855 0.000 -0.647) 10.874 16.735 ( -20.315 0.000 -2.059) 20.420 17.476 ( -20.311 0.000 1.160) 20.344 17.577 ( -20.178 0.000 -0.074) 20.178 17.937 ( -9.863 0.000 -2.195) 10.105 18.010 ( -10.587 0.000 -3.578) 11.175 18.298 ( -12.927 0.000 -2.809) 13.228 18.333 ( -12.696 0.000 -3.231) 13.100 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.696 0.000 7.867) 12.486 1.989 ( -3.768 0.000 5.119) 6.356 2.231 ( 5.074 0.000 6.825) 8.504 2.355 ( 9.421 0.000 1.959) 9.622 2.496 ( 12.166 0.000 6.344) 13.721 2.574 ( 7.477 0.000 20.109) 21.455 2.660 ( 1.165 0.000 -0.841) 1.437 2.723 ( 3.869 0.000 -1.150) 4.036 2.831 ( 6.977 0.000 0.902) 7.035 2.876 ( 12.125 0.000 13.632) 18.245 3.003 ( -4.725 0.000 -0.932) 4.816 3.113 ( 12.027 0.000 6.718) 13.776 3.193 ( 1.695 0.000 -0.561) 1.786 3.299 ( -8.141 0.000 5.327) 9.729 3.356 ( -6.386 0.000 -2.585) 6.889 3.528 ( 0.021 0.000 4.007) 4.008 3.636 ( 9.958 0.000 2.166) 10.190 3.637 ( -2.948 0.000 -0.249) 2.958 3.706 ( 4.835 0.000 -5.100) 7.027 3.796 ( 1.173 0.000 -0.501) 1.276 3.869 ( 2.687 0.000 -2.805) 3.884 3.938 ( -3.832 0.000 -1.596) 4.151 4.054 ( 14.510 0.000 0.392) 14.516 4.073 ( -8.949 0.000 6.462) 11.038 4.121 ( 7.209 0.000 -0.941) 7.270 4.311 ( -4.523 0.000 0.929) 4.617 4.331 ( 10.117 0.000 1.027) 10.169 4.499 ( 10.103 0.000 5.127) 11.330 4.504 ( 12.798 0.000 -2.630) 13.066 4.608 ( 11.281 0.000 0.522) 11.293 4.687 ( 4.861 0.000 1.468) 5.078 4.706 ( -2.983 0.000 -7.006) 7.614 4.894 ( -3.004 0.000 -6.453) 7.118 4.985 ( -4.381 0.000 -0.740) 4.443 5.079 ( 9.312 0.000 -2.925) 9.760 5.220 ( -3.362 0.000 -2.665) 4.289 5.226 ( 3.716 0.000 -7.204) 8.105 5.320 ( -2.054 0.000 1.576) 2.589 5.387 ( 6.800 0.000 -0.418) 6.813 5.545 ( -9.338 0.000 -7.113) 11.738 5.615 ( -3.572 0.000 -5.684) 6.713 5.747 ( -3.149 0.000 -5.290) 6.157 5.808 ( -2.679 0.000 -2.596) 3.731 5.836 ( -7.203 0.000 0.505) 7.221 5.879 ( -7.950 0.000 0.557) 7.970 6.050 ( -0.392 0.000 -2.198) 2.233 6.274 ( 0.789 0.000 6.036) 6.088 6.320 ( 3.618 0.000 2.567) 4.436 6.425 ( 1.424 0.000 0.054) 1.425 6.531 ( -3.170 0.000 -3.717) 4.885 6.714 ( 4.192 0.000 4.350) 6.041 6.896 ( 9.261 0.000 5.108) 10.576 6.939 ( -4.354 0.000 1.474) 4.597 7.051 ( 5.678 0.000 4.442) 7.209 7.255 ( 5.149 0.000 -0.121) 5.150 7.274 ( 1.530 0.000 -0.963) 1.808 7.522 ( -7.114 0.000 4.788) 8.575 7.573 ( -4.393 0.000 1.763) 4.734 7.641 ( -6.740 0.000 1.913) 7.006 7.702 ( -7.135 0.000 1.050) 7.211 7.933 ( 2.218 0.000 -1.419) 2.633 8.048 ( 4.616 0.000 -3.310) 5.680 8.297 ( -9.293 0.000 7.056) 11.668 8.385 ( 7.708 0.000 -2.688) 8.163 8.466 ( 9.701 0.000 -2.307) 9.972 8.492 ( -5.209 0.000 1.880) 5.537 8.570 ( 3.338 0.000 -6.010) 6.875 8.757 ( 0.637 0.000 -9.294) 9.316 9.054 ( 3.137 0.000 3.766) 4.901 9.347 ( 0.553 0.000 -3.597) 3.639 9.399 ( -3.780 0.000 -0.502) 3.813 9.526 ( -4.535 0.000 -2.495) 5.176 9.874 ( 4.382 0.000 0.740) 4.444 9.917 ( 2.771 0.000 -0.755) 2.872 9.954 ( -3.648 0.000 3.093) 4.783 10.058 ( -2.527 0.000 0.137) 2.531 10.252 ( -5.394 0.000 4.333) 6.918 10.409 ( -6.224 0.000 2.777) 6.815 10.444 ( 2.128 0.000 2.780) 3.501 10.568 ( -1.868 0.000 0.851) 2.053 11.083 ( 6.000 0.000 4.515) 7.509 11.225 ( -0.089 0.000 -0.244) 0.260 11.366 ( 2.659 0.000 6.469) 6.994 11.369 ( 4.134 0.000 0.603) 4.178 11.463 ( -0.228 0.000 1.672) 1.687 11.527 ( 8.595 0.000 8.218) 11.891 11.537 ( 1.742 0.000 0.971) 1.994 11.726 ( 1.027 0.000 3.811) 3.947 11.797 ( 3.700 0.000 1.939) 4.177 11.980 ( -2.210 0.000 1.224) 2.526 12.012 ( 1.909 0.000 3.811) 4.262 12.264 ( -5.531 0.000 2.196) 5.951 12.404 ( 7.506 0.000 0.484) 7.522 12.485 ( 8.318 0.000 1.016) 8.380 12.705 ( 3.785 0.000 -2.609) 4.597 12.804 ( 2.332 0.000 -2.229) 3.226 12.828 ( -2.092 0.000 -0.932) 2.290 12.946 ( -0.569 0.000 -3.097) 3.149 13.015 ( -0.691 0.000 -1.539) 1.687 13.111 ( -3.238 0.000 -4.532) 5.570 14.114 ( 5.579 0.000 0.190) 5.582 14.187 ( 4.633 0.000 -0.102) 4.634 14.572 ( 26.145 0.000 -3.919) 26.437 14.615 ( 24.097 0.000 -5.700) 24.762 14.722 ( -6.101 0.000 -2.385) 6.550 14.768 ( -6.932 0.000 -2.165) 7.262 14.865 ( 10.116 0.000 -1.038) 10.170 14.933 ( 12.802 0.000 -3.581) 13.294 15.968 ( 16.294 0.000 -3.264) 16.618 16.153 ( -10.881 0.000 4.603) 11.815 16.238 ( 10.716 0.000 -10.450) 14.968 16.318 ( -18.693 0.000 1.415) 18.746 16.447 ( -2.383 0.000 1.165) 2.652 16.545 ( -3.981 0.000 -2.295) 4.595 16.995 ( -26.333 0.000 -0.466) 26.337 17.091 ( -26.869 0.000 -1.505) 26.911 17.732 ( -9.375 0.000 -2.793) 9.782 17.787 ( -10.157 0.000 -4.681) 11.184 18.002 ( -15.253 0.000 -4.116) 15.798 18.047 ( -14.639 0.000 -5.253) 15.553 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 7.800 0.000 6.069) 9.883 1.896 ( -5.527 0.000 5.462) 7.771 2.350 ( 6.499 0.000 4.351) 7.820 2.489 ( -6.887 0.000 4.871) 8.435 2.559 ( 9.897 0.000 -1.633) 10.031 2.697 ( 1.922 0.000 -6.386) 6.669 2.761 ( 3.180 0.000 4.280) 5.332 2.872 ( 11.767 0.000 7.719) 14.073 2.879 ( -4.254 0.000 1.601) 4.545 2.980 ( 5.682 0.000 0.505) 5.705 3.066 ( 1.141 0.000 9.338) 9.407 3.124 ( -1.785 0.000 5.729) 6.001 3.130 ( -8.186 0.000 2.748) 8.635 3.230 ( -3.795 0.000 6.083) 7.170 3.351 ( 6.380 0.000 -1.599) 6.578 3.467 ( -5.417 0.000 -0.398) 5.431 3.653 ( 6.443 0.000 4.214) 7.698 3.751 ( 4.029 0.000 3.100) 5.084 3.813 ( -7.460 0.000 0.163) 7.461 3.824 ( -0.333 0.000 -0.076) 0.341 3.854 ( 2.893 0.000 -3.058) 4.209 3.895 ( -0.669 0.000 -2.696) 2.777 3.977 ( 4.307 0.000 7.106) 8.309 4.143 ( -8.145 0.000 0.592) 8.167 4.290 ( 8.428 0.000 -0.912) 8.477 4.356 ( 11.606 0.000 -1.076) 11.655 4.418 ( -2.605 0.000 1.480) 2.996 4.552 ( -6.528 0.000 -2.534) 7.002 4.662 ( 5.395 0.000 -5.300) 7.563 4.745 ( -1.738 0.000 -7.563) 7.760 4.745 ( 6.954 0.000 -2.898) 7.534 4.874 ( -5.951 0.000 -2.471) 6.443 4.895 ( 12.441 0.000 -0.979) 12.479 4.994 ( 15.768 0.000 -2.817) 16.018 5.143 ( -9.009 0.000 -4.199) 9.940 5.194 ( 2.339 0.000 2.124) 3.160 5.219 ( 2.000 0.000 1.571) 2.543 5.291 ( -11.915 0.000 -4.549) 12.754 5.399 ( 2.606 0.000 -0.820) 2.732 5.498 ( -6.837 0.000 -1.928) 7.103 5.532 ( 5.362 0.000 -4.183) 6.801 5.617 ( -5.084 0.000 -4.748) 6.956 5.749 ( -2.987 0.000 0.154) 2.991 5.774 ( -2.685 0.000 -0.048) 2.685 5.850 ( 6.309 0.000 -2.458) 6.771 5.988 ( -5.652 0.000 -3.580) 6.691 6.326 ( 4.302 0.000 3.352) 5.454 6.383 ( 2.590 0.000 2.565) 3.646 6.424 ( -1.295 0.000 1.553) 2.022 6.435 ( -5.730 0.000 -0.566) 5.758 6.790 ( 3.443 0.000 4.908) 5.995 6.859 ( -3.515 0.000 4.310) 5.562 7.100 ( 10.194 0.000 4.908) 11.314 7.204 ( 8.740 0.000 4.235) 9.712 7.276 ( -4.844 0.000 3.004) 5.699 7.350 ( 0.049 0.000 1.980) 1.980 7.414 ( 0.054 0.000 2.470) 2.471 7.445 ( -2.363 0.000 0.630) 2.445 7.502 ( -6.404 0.000 1.639) 6.610 7.554 ( -7.522 0.000 -1.281) 7.630 8.012 ( 4.967 0.000 1.961) 5.340 8.131 ( -6.317 0.000 4.875) 7.980 8.190 ( 7.719 0.000 -2.371) 8.075 8.357 ( -7.778 0.000 -1.059) 7.850 8.515 ( 4.893 0.000 -5.096) 7.065 8.567 ( 0.211 0.000 -4.223) 4.228 8.674 ( 5.570 0.000 -7.007) 8.951 8.747 ( -1.756 0.000 -7.543) 7.745 9.162 ( 6.727 0.000 3.800) 7.727 9.296 ( -5.397 0.000 0.627) 5.433 9.365 ( 0.883 0.000 1.187) 1.480 9.428 ( -4.638 0.000 0.222) 4.643 9.933 ( 1.656 0.000 0.868) 1.869 9.942 ( 2.315 0.000 0.064) 2.316 9.963 ( 0.785 0.000 -0.741) 1.080 9.994 ( -3.565 0.000 -0.411) 3.588 10.200 ( 1.091 0.000 3.844) 3.996 10.281 ( -5.851 0.000 2.749) 6.465 10.488 ( 2.070 0.000 1.534) 2.577 10.528 ( -1.949 0.000 0.707) 2.073 11.171 ( 2.697 0.000 1.372) 3.025 11.209 ( -1.302 0.000 -0.203) 1.318 11.403 ( 1.584 0.000 4.930) 5.178 11.439 ( -1.770 0.000 3.457) 3.884 11.461 ( 4.544 0.000 2.264) 5.077 11.537 ( -2.230 0.000 1.860) 2.904 11.683 ( 6.602 0.000 7.262) 9.814 11.786 ( 6.112 0.000 8.308) 10.314 11.793 ( -3.849 0.000 5.760) 6.927 11.941 ( -7.385 0.000 7.079) 10.230 12.021 ( 5.416 0.000 0.040) 5.416 12.144 ( -6.159 0.000 1.074) 6.252 12.560 ( 8.942 0.000 2.566) 9.303 12.720 ( 1.331 0.000 0.310) 1.367 12.747 ( 3.859 0.000 1.737) 4.231 12.782 ( 3.660 0.000 -3.670) 5.183 12.835 ( -0.595 0.000 -2.840) 2.902 12.938 ( -7.038 0.000 0.497) 7.056 12.945 ( 1.940 0.000 -5.698) 6.019 13.025 ( -4.815 0.000 -5.601) 7.386 14.281 ( 10.748 0.000 -2.463) 11.026 14.326 ( 9.435 0.000 -2.275) 9.705 14.527 ( -11.921 0.000 -3.465) 12.414 14.561 ( -12.154 0.000 -3.233) 12.576 14.969 ( 12.959 0.000 0.477) 12.967 15.045 ( 12.672 0.000 0.671) 12.690 15.068 ( 8.312 0.000 -0.759) 8.346 15.177 ( 4.802 0.000 -1.061) 4.918 16.091 ( 7.994 0.000 1.419) 8.119 16.104 ( 3.672 0.000 -0.976) 3.799 16.274 ( 12.114 0.000 -2.801) 12.434 16.416 ( 0.287 0.000 -0.830) 0.878 16.431 ( 4.194 0.000 -5.051) 6.565 16.443 ( -25.831 0.000 -1.520) 25.876 16.506 ( -1.476 0.000 -2.699) 3.076 16.521 ( -27.462 0.000 -2.889) 27.613 17.604 ( -1.775 0.000 -3.864) 4.252 17.650 ( -2.969 0.000 -5.951) 6.651 17.729 ( -8.917 0.000 -5.919) 10.703 17.779 ( -10.243 0.000 -7.389) 12.630 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 17.083 11.965) 20.857 1.711 ( 0.000 -14.506 10.685) 18.016 1.754 ( 0.000 -0.572 18.041) 18.050 1.913 ( 0.000 -9.207 20.286) 22.278 2.029 ( 0.000 7.320 20.957) 22.198 2.200 ( 0.000 -8.503 20.920) 22.583 2.298 ( 0.000 8.263 0.785) 8.300 2.425 ( 0.000 2.920 5.065) 5.846 2.587 ( 0.000 2.019 -3.057) 3.664 2.704 ( 0.000 -3.262 13.993) 14.368 2.883 ( 0.000 14.131 17.675) 22.629 3.040 ( 0.000 5.515 0.894) 5.587 3.092 ( 0.000 -1.998 -2.640) 3.311 3.199 ( 0.000 1.637 5.085) 5.342 3.253 ( 0.000 -17.001 13.289) 21.578 3.304 ( 0.000 -7.064 -3.248) 7.775 3.434 ( 0.000 6.634 8.770) 10.996 3.516 ( 0.000 -1.218 -0.115) 1.223 3.578 ( 0.000 0.014 -3.067) 3.067 3.605 ( 0.000 -3.798 1.474) 4.074 3.699 ( 0.000 0.902 -4.629) 4.716 3.754 ( 0.000 -4.508 -4.729) 6.533 3.906 ( 0.000 2.134 -8.581) 8.842 3.954 ( 0.000 -1.931 -8.786) 8.995 4.050 ( 0.000 10.338 2.898) 10.737 4.113 ( 0.000 5.596 2.493) 6.126 4.330 ( 0.000 -1.684 3.697) 4.062 4.348 ( 0.000 0.704 2.171) 2.283 4.353 ( 0.000 -3.266 6.860) 7.598 4.393 ( 0.000 -4.446 6.191) 7.622 4.564 ( 0.000 2.567 5.319) 5.906 4.618 ( 0.000 -2.386 2.384) 3.373 4.682 ( 0.000 4.293 -4.699) 6.365 4.770 ( 0.000 -3.801 -6.413) 7.455 5.063 ( 0.000 9.071 2.759) 9.481 5.252 ( 0.000 -8.487 0.810) 8.525 5.348 ( 0.000 0.222 -10.102) 10.104 5.387 ( 0.000 -3.643 -10.685) 11.289 5.587 ( 0.000 4.365 -8.932) 9.942 5.673 ( 0.000 -3.651 -8.236) 9.009 5.735 ( 0.000 4.193 -4.338) 6.033 5.798 ( 0.000 -0.692 -12.823) 12.842 5.897 ( 0.000 -0.166 -0.054) 0.175 5.906 ( 0.000 -0.373 -7.646) 7.655 6.157 ( 0.000 0.307 0.822) 0.877 6.180 ( 0.000 -0.885 1.116) 1.425 6.268 ( 0.000 7.735 3.385) 8.443 6.298 ( 0.000 2.194 2.302) 3.180 6.419 ( 0.000 0.013 4.395) 4.395 6.552 ( 0.000 3.358 2.005) 3.911 6.598 ( 0.000 -13.162 2.594) 13.416 6.610 ( 0.000 -2.458 5.056) 5.622 6.997 ( 0.000 2.443 1.492) 2.863 7.023 ( 0.000 0.435 0.630) 0.766 7.105 ( 0.000 2.680 -0.917) 2.833 7.173 ( 0.000 -2.610 -6.254) 6.777 7.555 ( 0.000 7.583 0.272) 7.588 7.677 ( 0.000 -4.829 -6.532) 8.123 7.691 ( 0.000 3.843 -0.904) 3.948 7.810 ( 0.000 -6.104 2.463) 6.582 8.023 ( 0.000 1.503 -2.007) 2.507 8.045 ( 0.000 -0.245 -0.126) 0.275 8.198 ( 0.000 2.436 -0.365) 2.463 8.247 ( 0.000 -2.107 1.940) 2.864 8.456 ( 0.000 8.701 -1.173) 8.779 8.584 ( 0.000 -0.043 4.528) 4.529 8.703 ( 0.000 -0.875 -3.907) 4.004 8.836 ( 0.000 -9.804 4.780) 10.907 9.060 ( 0.000 -3.780 -5.289) 6.501 9.120 ( 0.000 -8.141 -3.056) 8.695 9.640 ( 0.000 3.540 1.852) 3.995 9.735 ( 0.000 -5.187 0.139) 5.188 9.866 ( 0.000 13.763 -4.370) 14.440 10.002 ( 0.000 9.136 -11.093) 14.371 10.136 ( 0.000 0.272 1.159) 1.191 10.187 ( 0.000 -0.136 0.633) 0.647 10.353 ( 0.000 -1.828 5.085) 5.404 10.441 ( 0.000 -7.100 2.037) 7.387 10.611 ( 0.000 1.037 5.961) 6.050 10.623 ( 0.000 0.293 6.446) 6.453 10.810 ( 0.000 2.075 3.198) 3.813 10.829 ( 0.000 0.353 -1.147) 1.200 10.962 ( 0.000 -0.661 2.770) 2.848 10.972 ( 0.000 -1.128 7.170) 7.258 11.115 ( 0.000 3.895 3.608) 5.309 11.211 ( 0.000 -4.905 -2.685) 5.592 11.474 ( 0.000 4.987 -1.524) 5.214 11.580 ( 0.000 -4.897 -0.759) 4.956 11.744 ( 0.000 4.123 1.022) 4.248 11.821 ( 0.000 -3.053 2.265) 3.801 12.174 ( 0.000 2.520 -1.595) 2.982 12.293 ( 0.000 -8.184 -4.067) 9.138 12.349 ( 0.000 6.862 -0.537) 6.883 12.469 ( 0.000 -4.725 5.669) 7.380 12.594 ( 0.000 4.571 -5.353) 7.039 12.633 ( 0.000 0.209 -0.388) 0.441 12.774 ( 0.000 -0.828 1.075) 1.357 12.792 ( 0.000 -2.851 1.304) 3.135 13.037 ( 0.000 5.217 -0.667) 5.259 13.146 ( 0.000 -4.998 -1.867) 5.335 13.571 ( 0.000 0.380 -5.952) 5.965 13.580 ( 0.000 -0.400 -5.060) 5.076 13.868 ( 0.000 1.598 -9.601) 9.734 13.889 ( 0.000 -0.334 -9.981) 9.987 14.616 ( 0.000 0.950 -8.037) 8.093 14.639 ( 0.000 -1.255 -8.382) 8.476 14.748 ( 0.000 2.978 0.093) 2.979 14.781 ( 0.000 -0.169 -0.786) 0.804 15.497 ( 0.000 6.237 11.507) 13.088 15.698 ( 0.000 -12.334 5.438) 13.480 16.709 ( 0.000 2.231 4.767) 5.263 16.756 ( 0.000 -2.323 5.525) 5.993 17.125 ( 0.000 5.790 -1.251) 5.923 17.210 ( 0.000 -1.977 -5.754) 6.084 17.923 ( 0.000 0.772 1.612) 1.787 17.966 ( 0.000 -3.025 1.018) 3.191 18.200 ( 0.000 2.305 -1.709) 2.869 18.239 ( 0.000 -1.274 -2.046) 2.411 18.590 ( 0.000 0.802 -1.405) 1.618 18.607 ( 0.000 -0.649 -1.324) 1.475 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 4.496 14.730 11.583) 19.271 1.719 ( 1.591 -19.751 6.791) 20.947 1.920 ( 14.694 5.789 20.681) 26.022 2.055 ( 8.654 -3.509 19.691) 21.793 2.146 ( 12.822 0.721 15.325) 19.994 2.228 ( 2.390 -0.154 14.711) 14.905 2.305 ( 2.117 4.646 4.836) 7.033 2.443 ( 2.404 -3.550 4.569) 6.266 2.626 ( 3.729 5.756 -1.402) 7.000 2.730 ( 2.003 1.034 17.356) 17.502 2.945 ( 3.037 6.161 7.841) 10.424 3.017 ( -1.288 1.905 5.334) 5.809 3.091 ( 1.290 -0.065 -0.747) 1.492 3.259 ( 3.337 -1.848 7.208) 8.155 3.308 ( 7.182 -10.010 6.140) 13.765 3.348 ( 3.894 -5.139 -0.113) 6.449 3.493 ( 4.075 5.246 4.825) 8.210 3.551 ( 1.702 2.742 -2.928) 4.358 3.580 ( -0.651 -3.690 -1.380) 3.993 3.622 ( 4.425 -2.712 -2.347) 5.696 3.758 ( 5.904 -0.274 -0.089) 5.911 3.783 ( 2.272 -2.656 -4.145) 5.422 3.908 ( 0.748 1.037 -5.645) 5.788 3.937 ( -1.530 -1.281 -6.683) 6.975 4.050 ( 0.668 8.425 1.596) 8.601 4.135 ( 1.870 2.608 0.686) 3.282 4.274 ( -2.512 0.696 4.245) 4.982 4.349 ( -0.184 -3.240 4.600) 5.629 4.378 ( 2.377 1.653 4.343) 5.220 4.456 ( 3.482 -5.477 5.888) 8.763 4.626 ( -2.882 4.973 -5.236) 7.775 4.642 ( 5.495 2.806 3.956) 7.330 4.703 ( 6.870 -1.005 1.971) 7.218 4.765 ( 0.247 -4.789 -6.167) 7.812 5.084 ( 1.816 8.013 3.209) 8.821 5.234 ( -2.090 -5.445 -0.726) 5.877 5.327 ( -2.086 -1.462 -9.098) 9.448 5.343 ( -3.555 -2.264 -11.206) 11.973 5.576 ( -1.580 4.829 -8.155) 9.609 5.668 ( -0.902 -3.046 -8.443) 9.021 5.693 ( -1.946 3.289 -3.001) 4.859 5.772 ( -2.531 -2.840 -10.227) 10.912 5.930 ( 1.451 0.968 -5.847) 6.102 5.943 ( 2.653 0.345 -2.251) 3.496 6.110 ( -2.958 0.073 2.618) 3.951 6.154 ( -2.896 -3.020 2.459) 4.853 6.257 ( -2.986 1.741 1.359) 3.714 6.276 ( -1.083 0.949 0.546) 1.540 6.453 ( -0.850 0.546 2.647) 2.834 6.480 ( 0.408 -1.227 5.426) 5.578 6.626 ( 1.985 1.694 1.125) 2.842 6.644 ( 3.292 -0.737 1.553) 3.714 6.973 ( -0.722 2.719 1.393) 3.139 7.044 ( 0.021 -3.778 1.134) 3.945 7.153 ( 1.049 0.309 -2.620) 2.839 7.172 ( 2.115 -1.218 -3.223) 4.043 7.571 ( 1.577 7.169 0.689) 7.373 7.691 ( -0.099 -1.611 -0.329) 1.647 7.740 ( 4.529 0.137 -2.885) 5.371 7.816 ( 0.631 -5.017 1.498) 5.274 8.003 ( -1.851 1.619 -1.290) 2.777 8.031 ( -1.350 -0.659 0.194) 1.514 8.182 ( -0.753 4.713 -2.175) 5.245 8.252 ( 0.756 -1.598 0.551) 1.852 8.435 ( -1.946 3.816 0.139) 4.286 8.569 ( -3.821 -6.287 -0.873) 7.409 8.643 ( -3.240 2.869 4.956) 6.579 8.773 ( -3.689 -5.557 2.243) 7.037 9.059 ( 0.059 -1.524 -4.211) 4.479 9.134 ( 1.984 -7.109 -4.153) 8.469 9.642 ( -0.123 2.574 0.869) 2.720 9.695 ( -4.078 -0.034 -1.596) 4.379 9.849 ( -0.424 7.331 -1.853) 7.574 9.936 ( -4.561 7.247 -7.932) 11.672 10.114 ( -2.199 1.130 1.108) 2.710 10.170 ( -1.792 -0.008 0.568) 1.880 10.341 ( -0.571 -2.357 5.173) 5.714 10.401 ( -3.175 -6.791 3.088) 8.108 10.614 ( -0.639 1.422 6.473) 6.659 10.627 ( 0.154 0.366 6.110) 6.122 10.884 ( 5.467 6.339 2.208) 8.657 11.006 ( 9.935 -4.380 -0.386) 10.865 11.069 ( 9.623 -0.784 2.722) 10.032 11.074 ( 9.880 -1.402 -0.679) 10.002 11.182 ( 6.523 2.145 4.990) 8.488 11.236 ( 3.445 -3.070 -0.440) 4.636 11.501 ( 2.899 5.567 -1.133) 6.378 11.602 ( 2.369 -4.138 -0.447) 4.789 11.743 ( 0.092 3.976 0.987) 4.098 11.819 ( 0.276 -3.119 2.458) 3.980 12.157 ( -1.242 3.389 -0.669) 3.671 12.279 ( -2.407 -3.742 -2.204) 4.965 12.314 ( -1.781 2.079 0.253) 2.749 12.442 ( -2.621 -6.011 3.181) 7.288 12.628 ( 2.648 4.001 -2.918) 5.615 12.674 ( 3.436 -0.955 0.172) 3.570 12.799 ( 3.203 1.900 0.273) 3.734 12.851 ( 3.572 -3.169 -0.621) 4.815 13.026 ( -0.364 4.943 -1.162) 5.091 13.126 ( -1.153 -4.481 -2.025) 5.051 13.701 ( 12.385 0.772 -5.848) 13.718 13.722 ( 13.134 -1.081 -6.416) 14.658 13.946 ( 5.134 0.553 -7.555) 9.151 13.947 ( 6.472 0.508 -7.975) 10.283 14.633 ( 1.891 1.027 -7.075) 7.395 14.658 ( 1.991 -1.347 -7.651) 8.020 14.764 ( 1.572 3.169 0.005) 3.538 14.804 ( 1.873 -0.465 -0.611) 2.024 15.550 ( 5.453 6.172 7.614) 11.216 15.744 ( 4.738 -11.736 1.290) 12.722 16.644 ( -6.088 2.636 4.241) 7.874 16.690 ( -6.079 -1.934 4.703) 7.926 16.994 ( -11.884 4.835 -0.581) 12.843 17.071 ( -12.990 -2.095 -4.154) 13.798 17.811 ( -10.759 1.235 1.456) 10.927 17.858 ( -10.483 -2.940 0.810) 10.918 18.133 ( -6.339 2.222 -1.936) 6.991 18.173 ( -6.330 -1.424 -2.441) 6.932 18.515 ( -7.239 0.784 -1.789) 7.498 18.532 ( -7.189 -0.715 -1.803) 7.446 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.696 11.675 8.947) 17.087 1.798 ( 5.876 -16.898 5.564) 18.736 2.140 ( 1.929 2.340 10.791) 11.209 2.191 ( 5.843 -1.888 13.793) 15.098 2.345 ( 11.345 7.980 10.019) 17.110 2.424 ( 10.839 6.141 9.301) 15.547 2.514 ( 18.187 -3.455 11.602) 21.847 2.547 ( 7.364 -8.367 7.916) 13.671 2.726 ( 5.936 7.793 0.567) 9.813 2.782 ( 2.970 5.394 14.110) 15.395 2.914 ( -2.267 -1.506 2.865) 3.952 3.014 ( 0.520 -10.491 -0.001) 10.504 3.161 ( 2.536 8.377 3.979) 9.615 3.331 ( 1.834 -5.069 2.513) 5.948 3.416 ( 1.768 -2.136 2.191) 3.534 3.445 ( 2.189 -3.822 3.018) 5.339 3.548 ( 5.463 5.225 -2.547) 7.977 3.637 ( 8.947 -1.902 3.802) 9.906 3.650 ( 3.625 2.082 -5.082) 6.580 3.701 ( 3.267 -3.291 -2.362) 5.205 3.798 ( 0.325 3.526 -2.239) 4.189 3.882 ( 0.060 -2.494 0.138) 2.498 3.908 ( 3.021 0.807 -4.454) 5.442 3.983 ( 4.895 -4.272 -0.211) 6.501 4.140 ( 8.499 3.434 1.749) 9.332 4.196 ( 6.131 -1.794 -0.272) 6.394 4.288 ( 3.526 4.269 2.023) 5.894 4.324 ( -0.938 2.311 3.615) 4.392 4.434 ( 2.105 -0.341 6.332) 6.681 4.493 ( 1.010 -2.422 4.309) 5.045 4.585 ( 0.537 2.868 -2.790) 4.037 4.692 ( -1.035 -4.448 -5.160) 6.891 4.869 ( 7.933 0.349 0.555) 7.960 4.879 ( 9.272 -0.105 -1.364) 9.372 5.110 ( -0.385 4.636 -1.341) 4.841 5.172 ( -3.190 -1.337 -6.950) 7.763 5.261 ( -0.502 0.916 -4.272) 4.398 5.303 ( -1.562 -2.575 -4.012) 5.016 5.511 ( -4.353 6.519 -5.790) 9.745 5.645 ( -1.403 -4.003 -6.774) 7.993 5.661 ( -2.630 0.282 -4.994) 5.652 5.715 ( -2.108 -2.310 -7.197) 7.847 5.900 ( -4.114 1.443 -2.570) 5.061 5.951 ( -4.583 -1.671 0.047) 4.878 6.039 ( -6.314 -0.805 1.780) 6.610 6.087 ( 0.461 -4.546 1.674) 4.866 6.174 ( -2.619 4.807 -0.510) 5.498 6.285 ( 1.042 -5.313 -2.049) 5.789 6.441 ( 1.445 7.108 4.309) 8.437 6.555 ( 4.314 -3.925 2.639) 6.401 6.668 ( 1.720 5.622 -0.501) 5.900 6.736 ( 5.176 -0.906 2.242) 5.713 6.973 ( 0.874 0.981 2.095) 2.473 7.016 ( -2.216 -2.584 1.287) 3.640 7.176 ( 2.517 1.216 -0.721) 2.887 7.218 ( 1.673 -2.610 -1.808) 3.589 7.603 ( 0.617 3.654 1.833) 4.135 7.653 ( -3.732 -0.441 3.524) 5.151 7.774 ( -1.958 2.070 0.957) 3.005 7.828 ( -1.930 -2.504 0.751) 3.250 7.960 ( -1.690 1.470 -1.026) 2.464 7.990 ( -1.558 -1.138 -2.320) 3.017 8.239 ( 6.862 4.735 -3.016) 8.866 8.297 ( 3.119 0.042 -0.602) 3.177 8.394 ( -0.898 -5.111 0.193) 5.193 8.413 ( -7.676 -7.361 2.158) 10.852 8.646 ( 1.467 5.213 2.943) 6.164 8.733 ( -0.158 -2.634 -1.514) 3.042 9.081 ( 2.131 4.110 -2.742) 5.381 9.198 ( 3.767 -6.741 -4.540) 8.958 9.582 ( -6.286 3.841 -2.381) 7.742 9.610 ( -3.744 -0.039 -2.250) 4.368 9.861 ( 1.045 2.336 0.247) 2.571 9.884 ( 0.212 4.400 -2.181) 4.916 10.041 ( -4.752 0.837 1.862) 5.172 10.113 ( -3.876 -1.435 0.138) 4.136 10.331 ( -2.372 -2.523 4.733) 5.865 10.347 ( 0.394 -3.157 3.480) 4.715 10.584 ( -2.694 2.855 4.261) 5.794 10.606 ( -1.929 0.296 3.870) 4.335 10.991 ( 5.605 5.017 4.314) 8.671 11.127 ( 3.555 -7.228 0.894) 8.104 11.235 ( 4.814 -0.030 -0.129) 4.815 11.268 ( 6.670 -3.003 0.982) 7.380 11.339 ( 7.268 1.406 5.542) 9.247 11.367 ( 7.513 -0.957 2.439) 7.957 11.603 ( 6.102 5.439 -0.311) 8.180 11.668 ( 2.910 -2.111 0.672) 3.658 11.762 ( 2.585 5.490 0.316) 6.077 11.875 ( 5.696 -3.891 2.012) 7.185 12.124 ( -2.987 5.349 2.430) 6.591 12.234 ( 0.324 -1.929 -0.841) 2.129 12.290 ( -0.460 -1.843 1.655) 2.519 12.380 ( -2.330 -6.719 1.565) 7.282 12.689 ( 2.969 3.622 -1.982) 5.086 12.741 ( 2.719 -1.634 -1.589) 3.548 12.860 ( 1.868 2.951 -0.774) 3.578 12.916 ( 2.796 -2.248 -0.558) 3.631 13.034 ( 0.674 3.792 -2.743) 4.728 13.113 ( -0.394 -3.521 -3.066) 4.686 14.044 ( 5.326 1.334 -2.156) 5.899 14.052 ( 17.429 0.179 -4.885) 18.101 14.088 ( 12.395 -0.432 -3.849) 12.987 14.097 ( 19.462 -1.368 -6.745) 20.643 14.707 ( 5.665 0.905 -4.196) 7.108 14.731 ( 5.354 -1.382 -5.011) 7.462 14.798 ( 0.979 2.761 -1.311) 3.209 14.835 ( 0.485 -0.518 -1.160) 1.360 15.728 ( 11.939 5.978 -0.324) 13.356 15.897 ( 10.089 -9.824 -5.772) 15.219 16.476 ( -10.153 4.579 2.978) 11.529 16.538 ( -8.020 -1.708 2.655) 8.619 16.708 ( -13.804 0.853 -0.370) 13.835 16.728 ( -18.833 -0.794 -0.992) 18.875 17.495 ( -19.928 1.903 0.624) 20.028 17.546 ( -19.898 -2.668 0.031) 20.076 17.959 ( -10.213 1.833 -2.412) 10.653 17.995 ( -10.570 -1.485 -3.121) 11.121 18.306 ( -12.912 0.788 -2.812) 13.239 18.324 ( -12.794 -0.841 -3.039) 13.177 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 9.501 10.290 6.033) 15.249 1.932 ( 6.329 -10.662 3.801) 12.968 2.140 ( -0.649 2.341 5.208) 5.747 2.267 ( 1.696 -7.666 4.827) 9.216 2.576 ( 11.544 4.782 8.821) 15.295 2.655 ( 7.528 6.083 14.587) 17.506 2.672 ( 6.198 -3.148 5.685) 8.980 2.750 ( 2.274 -0.731 8.979) 9.292 2.856 ( 5.110 5.121 0.534) 7.254 2.884 ( 10.770 5.136 2.647) 12.223 2.991 ( 7.241 -2.954 1.480) 7.959 3.052 ( 3.300 -10.448 1.947) 11.129 3.175 ( 0.514 5.215 2.315) 5.729 3.273 ( -5.707 -3.576 0.620) 6.763 3.385 ( -5.021 2.712 -1.641) 5.938 3.461 ( -1.395 -4.807 0.301) 5.015 3.637 ( -1.394 1.846 2.265) 3.238 3.666 ( 3.262 -1.202 -0.218) 3.483 3.753 ( 3.865 3.233 1.477) 5.250 3.794 ( 1.502 -1.658 -0.036) 2.237 3.883 ( 7.062 3.704 -0.186) 7.977 3.917 ( 2.665 -1.555 0.766) 3.179 4.007 ( 8.409 -0.495 -1.464) 8.550 4.071 ( 5.177 -4.246 -2.155) 7.034 4.172 ( -4.332 5.540 3.007) 7.649 4.265 ( -0.048 -2.607 2.583) 3.670 4.431 ( 4.730 4.866 1.014) 6.862 4.479 ( 7.178 -1.459 3.138) 7.969 4.514 ( 10.587 1.690 -2.786) 11.077 4.588 ( 10.863 -3.268 1.617) 11.459 4.620 ( 2.729 -2.310 -3.101) 4.733 4.656 ( 0.872 -3.603 -2.603) 4.530 4.923 ( -2.624 3.631 -4.100) 6.073 5.000 ( -1.767 -2.992 -1.883) 3.952 5.111 ( 5.071 4.249 -6.977) 9.615 5.177 ( 2.170 -2.238 -6.728) 7.415 5.298 ( 3.547 3.809 -1.043) 5.308 5.346 ( 5.312 -0.092 2.933) 6.068 5.420 ( -3.508 5.148 -4.178) 7.501 5.529 ( -8.587 -2.757 -6.711) 11.241 5.623 ( -2.886 1.090 -3.881) 4.958 5.693 ( -1.127 -5.226 -2.831) 6.050 5.768 ( -8.785 0.103 -3.065) 9.305 5.795 ( -6.566 -3.292 0.861) 7.395 5.953 ( -2.112 6.505 0.750) 6.881 6.107 ( 0.924 -8.727 3.205) 9.343 6.142 ( -1.433 6.842 -2.955) 7.590 6.292 ( -0.857 -7.972 -2.544) 8.412 6.490 ( 2.943 8.932 4.312) 10.346 6.637 ( 3.165 -3.189 1.490) 4.734 6.678 ( -0.678 5.296 2.368) 5.841 6.813 ( 0.759 -5.794 1.730) 6.095 7.000 ( 3.612 2.994 3.780) 6.025 7.041 ( 5.271 -1.160 4.256) 6.873 7.252 ( 4.681 -0.015 -0.122) 4.682 7.261 ( 2.822 -0.885 -0.480) 2.996 7.541 ( -6.323 1.380 4.097) 7.660 7.561 ( -5.410 -0.696 2.846) 6.152 7.680 ( -6.982 2.891 1.396) 7.685 7.715 ( -7.304 0.107 1.126) 7.391 7.959 ( 2.115 2.421 -1.480) 3.539 8.014 ( 3.237 -2.722 -2.128) 4.735 8.227 ( -5.743 -2.267 3.894) 7.300 8.302 ( -3.959 -8.752 0.989) 9.656 8.439 ( 9.364 4.291 -3.418) 10.853 8.507 ( 9.447 -1.481 -4.998) 10.789 8.678 ( 1.548 6.020 -1.313) 6.354 8.756 ( 1.697 -1.658 -3.489) 4.219 9.134 ( 2.799 6.787 -0.641) 7.370 9.266 ( 2.442 -5.725 -2.904) 6.868 9.451 ( -6.234 2.780 -1.353) 6.959 9.505 ( -5.980 -2.347 -2.272) 6.814 9.884 ( 0.813 2.340 1.239) 2.770 9.912 ( 1.387 0.473 0.010) 1.465 9.952 ( -2.702 -0.797 2.267) 3.616 10.017 ( -4.956 -4.041 0.096) 6.396 10.300 ( -0.298 4.001 3.806) 5.531 10.371 ( 1.354 -2.116 2.754) 3.728 10.509 ( -4.124 3.388 2.057) 5.720 10.555 ( -2.941 -1.260 1.716) 3.630 11.110 ( 5.469 2.915 3.938) 7.343 11.194 ( 3.050 -4.036 2.080) 5.470 11.279 ( 0.386 -1.334 0.303) 1.421 11.329 ( 0.418 -5.706 0.513) 5.744 11.453 ( 4.604 3.596 6.198) 8.517 11.513 ( 6.240 -1.848 7.313) 9.789 11.687 ( 1.728 5.033 3.035) 6.126 11.715 ( 2.456 -0.239 2.596) 3.582 11.833 ( 3.467 4.956 0.687) 6.087 11.951 ( -1.239 -3.721 4.066) 5.650 12.061 ( -1.661 4.567 2.244) 5.353 12.188 ( -4.939 -6.647 3.710) 9.074 12.395 ( 7.960 0.388 0.199) 7.972 12.437 ( 10.150 -3.170 0.086) 10.634 12.743 ( 2.313 2.417 -3.382) 4.757 12.787 ( 2.085 -1.502 -3.087) 4.016 12.869 ( -0.889 3.851 -0.106) 3.954 12.948 ( -0.018 -2.515 -0.831) 2.649 13.026 ( -1.974 2.878 -3.311) 4.811 13.087 ( -2.528 -2.365 -4.406) 5.603 14.133 ( 5.221 1.685 0.137) 5.487 14.169 ( 4.769 -1.635 -0.017) 5.042 14.568 ( 23.753 -0.113 -4.325) 24.144 14.583 ( 21.250 -1.734 -5.063) 21.913 14.756 ( -2.635 1.606 -2.486) 3.963 14.767 ( -4.284 0.012 -2.129) 4.784 14.883 ( 10.328 1.720 -1.587) 10.590 14.920 ( 11.410 -1.432 -2.874) 11.853 16.008 ( 13.597 3.655 -3.401) 14.485 16.094 ( 3.895 -4.438 -1.464) 6.084 16.271 ( -3.880 2.069 -3.519) 5.632 16.305 ( -14.441 -1.252 0.402) 14.501 16.473 ( -3.582 2.282 0.254) 4.255 16.521 ( -4.150 -2.140 -1.468) 4.895 17.017 ( -26.312 2.074 -0.766) 26.405 17.065 ( -26.590 -2.276 -1.275) 26.717 17.747 ( -9.570 1.325 -3.241) 10.190 17.775 ( -9.945 -1.194 -4.223) 10.870 18.011 ( -15.196 0.921 -4.266) 15.810 18.034 ( -14.867 -1.101 -4.870) 15.683 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 7.887 10.318 4.468) 13.734 1.989 ( -2.447 7.652 3.880) 8.922 2.158 ( 3.723 -12.766 2.556) 13.541 2.247 ( -3.596 -13.182 1.980) 13.806 2.735 ( 4.434 6.448 5.546) 9.591 2.781 ( 5.987 2.253 4.622) 7.891 2.803 ( 2.308 1.592 3.056) 4.148 2.810 ( 3.322 -1.120 4.707) 5.869 2.952 ( 5.872 3.428 -0.091) 6.800 3.031 ( -1.062 3.608 2.283) 4.400 3.046 ( 3.211 0.949 3.101) 4.564 3.113 ( -2.403 1.638 3.031) 4.200 3.142 ( -1.225 -1.903 5.044) 5.528 3.232 ( -0.981 -1.882 1.601) 2.659 3.270 ( -0.806 -3.154 0.435) 3.284 3.368 ( -6.108 -7.404 0.668) 9.622 3.674 ( 5.293 2.523 3.002) 6.588 3.743 ( 4.046 -4.109 2.029) 6.113 3.773 ( -2.582 1.047 0.646) 2.860 3.809 ( -1.243 -2.551 -0.198) 2.844 3.928 ( 2.167 8.657 2.083) 9.164 3.997 ( -0.449 6.335 -1.363) 6.495 4.053 ( 1.233 3.528 6.234) 7.269 4.144 ( -3.553 -3.882 2.541) 5.843 4.225 ( 8.758 -0.619 -2.380) 9.097 4.310 ( 7.484 -5.879 -1.154) 9.587 4.393 ( -5.657 0.208 -1.573) 5.876 4.469 ( -6.518 -5.878 -3.390) 9.409 4.656 ( 6.563 1.567 -3.919) 7.803 4.718 ( 9.042 -2.894 -2.827) 9.906 4.805 ( -6.197 4.614 -5.805) 9.664 4.883 ( 0.290 0.361 -3.412) 3.444 4.904 ( 10.439 -0.616 -2.595) 10.774 4.953 ( 14.764 -3.435 -1.033) 15.193 5.174 ( -5.959 3.141 -3.772) 7.721 5.220 ( -3.581 -0.307 -1.441) 3.872 5.284 ( 1.548 5.994 -1.135) 6.294 5.309 ( -6.757 2.214 -4.513) 8.422 5.412 ( 0.915 0.415 -0.638) 1.190 5.461 ( -3.010 -3.826 -1.773) 5.181 5.565 ( 1.785 2.208 -3.002) 4.132 5.602 ( -1.594 -1.000 -1.063) 2.161 5.683 ( -4.018 -3.465 -1.721) 5.578 5.699 ( -2.209 -3.525 -0.738) 4.225 5.971 ( 4.006 8.279 -0.284) 9.202 6.075 ( -4.830 6.931 -2.652) 8.854 6.154 ( 3.587 -9.488 1.557) 10.262 6.240 ( -4.027 -8.992 -1.153) 9.919 6.552 ( 3.113 9.165 3.898) 10.435 6.618 ( -3.167 8.839 2.049) 9.610 6.716 ( 3.066 -6.607 4.817) 8.733 6.778 ( -2.907 -6.771 3.651) 8.223 7.145 ( 8.913 3.006 4.538) 10.444 7.190 ( 8.580 -1.400 4.204) 9.657 7.296 ( -2.836 1.648 2.665) 4.226 7.330 ( -0.862 -1.554 2.386) 2.975 7.435 ( -0.457 1.372 2.070) 2.526 7.448 ( -1.215 0.076 1.023) 1.591 7.528 ( -7.057 2.101 1.325) 7.481 7.557 ( -7.722 -0.313 -0.204) 7.731 8.026 ( 4.000 1.977 0.706) 4.518 8.104 ( 4.511 -4.970 -0.767) 6.756 8.118 ( -4.203 -0.061 2.429) 4.855 8.211 ( -4.965 -8.454 -0.295) 9.809 8.612 ( 6.890 6.193 -5.174) 10.611 8.682 ( 5.689 0.964 -4.927) 7.588 8.694 ( 0.076 5.486 -5.557) 7.809 8.766 ( -1.485 -0.144 -5.834) 6.022 9.203 ( 4.427 4.560 1.801) 6.606 9.293 ( -0.825 -1.244 0.212) 1.508 9.337 ( -3.347 -1.471 0.744) 3.731 9.385 ( -5.132 -3.999 0.032) 6.506 9.890 ( 0.807 0.647 1.315) 1.673 9.924 ( -2.016 -2.125 1.022) 3.102 9.930 ( 0.738 -2.384 0.065) 2.496 9.948 ( -1.078 -3.181 -0.040) 3.359 10.318 ( 2.007 7.979 2.679) 8.652 10.370 ( -2.209 6.275 2.070) 6.967 10.460 ( 0.364 -3.032 1.509) 3.407 10.496 ( -2.591 -3.371 1.115) 4.396 11.193 ( 2.638 2.482 1.509) 3.924 11.224 ( -0.396 1.755 0.323) 1.828 11.291 ( 1.247 -5.939 1.795) 6.328 11.318 ( -1.144 -6.404 0.920) 6.570 11.551 ( 5.191 4.761 6.645) 9.683 11.630 ( 4.459 -1.150 8.032) 9.259 11.660 ( -2.592 3.478 5.575) 7.063 11.741 ( -2.259 -2.719 6.101) 7.051 11.889 ( 2.162 5.821 5.375) 8.213 11.933 ( 1.122 0.752 3.882) 4.110 12.018 ( -1.324 -0.944 2.792) 3.231 12.081 ( -5.080 -5.645 2.503) 7.996 12.584 ( 9.535 3.254 0.851) 10.111 12.674 ( 10.710 -4.647 0.071) 11.674 12.738 ( -4.520 2.417 -1.066) 5.235 12.814 ( -1.502 -3.504 -2.583) 4.605 12.862 ( 2.121 4.581 -1.808) 5.363 12.936 ( 0.551 -2.116 -2.066) 3.008 12.951 ( -4.647 3.182 -3.537) 6.650 13.009 ( -4.711 -1.836 -4.503) 6.770 14.291 ( 10.418 0.983 -2.398) 10.735 14.314 ( 9.781 -1.079 -2.303) 10.106 14.531 ( -11.726 0.509 -3.454) 12.235 14.548 ( -11.822 -1.064 -3.341) 12.332 14.992 ( 13.256 1.967 0.427) 13.408 15.031 ( 13.939 -1.533 0.378) 14.028 15.096 ( 5.984 2.589 -0.499) 6.539 15.151 ( 5.082 -2.380 -0.800) 5.669 16.087 ( 7.221 -0.167 1.175) 7.317 16.092 ( 5.790 -0.676 -0.009) 5.830 16.320 ( 8.972 3.777 -3.954) 10.507 16.392 ( 5.503 -2.799 -4.210) 7.473 16.437 ( -5.565 1.317 -2.037) 6.071 16.471 ( -19.973 1.671 -1.467) 20.096 16.476 ( -8.710 -1.581 -2.512) 9.201 16.512 ( -19.779 -1.354 -2.463) 19.978 17.621 ( -1.358 1.469 -4.688) 5.097 17.647 ( -1.327 -0.698 -6.081) 6.263 17.732 ( -10.585 0.733 -5.611) 12.003 17.760 ( -10.623 -1.621 -6.689) 12.658 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.000 15.275) 15.275 1.942 ( 0.000 0.000 -10.636) 10.636 2.114 ( 0.000 0.000 19.119) 19.119 2.255 ( 0.000 0.000 4.242) 4.242 2.306 ( 0.000 0.000 9.777) 9.777 2.377 ( 0.000 0.000 11.282) 11.282 2.385 ( 0.000 0.000 21.221) 21.221 2.483 ( 0.000 0.000 -6.718) 6.718 2.686 ( 0.000 0.000 16.930) 16.930 2.832 ( 0.000 0.000 -7.509) 7.509 3.076 ( 0.000 0.000 2.807) 2.807 3.081 ( 0.000 0.000 6.887) 6.887 3.102 ( 0.000 0.000 -2.839) 2.839 3.191 ( 0.000 0.000 4.680) 4.680 3.240 ( 0.000 0.000 2.797) 2.797 3.327 ( 0.000 0.000 -9.501) 9.501 3.368 ( 0.000 0.000 -10.272) 10.272 3.463 ( 0.000 0.000 1.983) 1.983 3.683 ( 0.000 0.000 3.126) 3.126 3.697 ( 0.000 0.000 -4.493) 4.493 3.714 ( 0.000 0.000 -5.656) 5.656 3.725 ( 0.000 0.000 -9.602) 9.602 3.921 ( 0.000 0.000 16.261) 16.261 4.024 ( 0.000 0.000 7.961) 7.961 4.058 ( 0.000 0.000 13.928) 13.928 4.060 ( 0.000 0.000 10.124) 10.124 4.339 ( 0.000 0.000 -1.570) 1.570 4.399 ( 0.000 0.000 1.918) 1.918 4.409 ( 0.000 0.000 -4.332) 4.332 4.476 ( 0.000 0.000 -5.426) 5.426 4.654 ( 0.000 0.000 1.194) 1.194 4.688 ( 0.000 0.000 9.211) 9.211 4.698 ( 0.000 0.000 -5.541) 5.541 4.761 ( 0.000 0.000 11.185) 11.185 5.005 ( 0.000 0.000 4.548) 4.548 5.182 ( 0.000 0.000 -12.834) 12.834 5.211 ( 0.000 0.000 -5.475) 5.475 5.295 ( 0.000 0.000 -13.749) 13.749 5.320 ( 0.000 0.000 -2.574) 2.574 5.536 ( 0.000 0.000 -9.766) 9.766 5.546 ( 0.000 0.000 -8.580) 8.580 5.664 ( 0.000 0.000 -8.059) 8.059 5.808 ( 0.000 0.000 3.747) 3.747 5.942 ( 0.000 0.000 0.606) 0.606 6.168 ( 0.000 0.000 0.213) 0.213 6.207 ( 0.000 0.000 -1.016) 1.016 6.225 ( 0.000 0.000 3.349) 3.349 6.274 ( 0.000 0.000 -0.206) 0.206 6.506 ( 0.000 0.000 1.760) 1.760 6.584 ( 0.000 0.000 7.773) 7.773 6.628 ( 0.000 0.000 -2.968) 2.968 6.914 ( 0.000 0.000 7.500) 7.500 6.925 ( 0.000 0.000 -6.245) 6.245 7.028 ( 0.000 0.000 1.397) 1.397 7.080 ( 0.000 0.000 -1.481) 1.481 7.109 ( 0.000 0.000 0.220) 0.220 7.571 ( 0.000 0.000 -4.101) 4.101 7.574 ( 0.000 0.000 8.095) 8.095 7.606 ( 0.000 0.000 -5.992) 5.992 7.838 ( 0.000 0.000 -3.007) 3.007 7.976 ( 0.000 0.000 -1.219) 1.219 8.054 ( 0.000 0.000 -6.370) 6.370 8.150 ( 0.000 0.000 7.300) 7.300 8.326 ( 0.000 0.000 3.361) 3.361 8.401 ( 0.000 0.000 0.972) 0.972 8.522 ( 0.000 0.000 -11.086) 11.086 8.712 ( 0.000 0.000 6.136) 6.136 8.875 ( 0.000 0.000 -2.847) 2.847 9.203 ( 0.000 0.000 -0.212) 0.212 9.244 ( 0.000 0.000 -1.816) 1.816 9.549 ( 0.000 0.000 -2.363) 2.363 9.583 ( 0.000 0.000 -5.356) 5.356 9.702 ( 0.000 0.000 2.965) 2.965 9.814 ( 0.000 0.000 -2.271) 2.271 10.147 ( 0.000 0.000 1.471) 1.471 10.187 ( 0.000 0.000 -0.360) 0.360 10.499 ( 0.000 0.000 4.240) 4.240 10.602 ( 0.000 0.000 3.639) 3.639 10.635 ( 0.000 0.000 -0.497) 0.497 10.681 ( 0.000 0.000 1.551) 1.551 10.811 ( 0.000 0.000 1.979) 1.979 10.863 ( 0.000 0.000 1.969) 1.969 11.029 ( 0.000 0.000 3.113) 3.113 11.129 ( 0.000 0.000 5.417) 5.417 11.161 ( 0.000 0.000 3.160) 3.160 11.173 ( 0.000 0.000 -4.373) 4.373 11.428 ( 0.000 0.000 3.415) 3.415 11.619 ( 0.000 0.000 -3.618) 3.618 11.730 ( 0.000 0.000 4.876) 4.876 11.892 ( 0.000 0.000 0.153) 0.153 12.130 ( 0.000 0.000 -2.592) 2.592 12.230 ( 0.000 0.000 0.901) 0.901 12.313 ( 0.000 0.000 -8.681) 8.681 12.325 ( 0.000 0.000 -5.599) 5.599 12.677 ( 0.000 0.000 3.223) 3.223 12.699 ( 0.000 0.000 6.415) 6.415 12.811 ( 0.000 0.000 1.821) 1.821 12.843 ( 0.000 0.000 0.527) 0.527 12.970 ( 0.000 0.000 0.005) 0.005 13.128 ( 0.000 0.000 -5.344) 5.344 13.482 ( 0.000 0.000 -2.168) 2.168 13.514 ( 0.000 0.000 -2.759) 2.759 13.684 ( 0.000 0.000 -6.516) 6.516 13.711 ( 0.000 0.000 -7.585) 7.585 14.498 ( 0.000 0.000 -3.242) 3.242 14.525 ( 0.000 0.000 -4.551) 4.551 14.727 ( 0.000 0.000 0.930) 0.930 14.760 ( 0.000 0.000 -0.868) 0.868 15.633 ( 0.000 0.000 7.671) 7.671 15.818 ( 0.000 0.000 -2.713) 2.713 16.810 ( 0.000 0.000 6.598) 6.598 16.921 ( 0.000 0.000 6.413) 6.413 17.055 ( 0.000 0.000 -0.533) 0.533 17.070 ( 0.000 0.000 -7.231) 7.231 17.969 ( 0.000 0.000 2.205) 2.205 18.017 ( 0.000 0.000 -0.028) 0.028 18.146 ( 0.000 0.000 -0.446) 0.446 18.197 ( 0.000 0.000 -2.655) 2.655 18.561 ( 0.000 0.000 -0.519) 0.519 18.585 ( 0.000 0.000 -1.465) 1.465 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.405 0.000 14.395) 15.053 1.972 ( 2.486 0.000 -10.132) 10.433 2.247 ( 11.646 0.000 16.803) 20.445 2.248 ( -0.192 0.000 4.807) 4.811 2.353 ( 1.380 0.000 13.333) 13.404 2.419 ( 1.520 0.000 11.598) 11.697 2.455 ( 10.336 0.000 6.422) 12.169 2.494 ( 3.889 0.000 4.119) 5.665 2.754 ( 4.632 0.000 13.626) 14.392 2.829 ( -0.310 0.000 -7.253) 7.260 3.089 ( -0.178 0.000 4.870) 4.873 3.105 ( 1.545 0.000 -0.333) 1.580 3.145 ( 6.496 0.000 3.228) 7.254 3.199 ( -3.354 0.000 -4.313) 5.464 3.249 ( 4.698 0.000 4.999) 6.860 3.376 ( 5.347 0.000 -3.581) 6.435 3.420 ( 3.537 0.000 -11.601) 12.129 3.520 ( 4.786 0.000 1.246) 4.946 3.665 ( -1.282 0.000 1.093) 1.685 3.697 ( 1.010 0.000 -2.231) 2.449 3.747 ( 2.077 0.000 -5.894) 6.249 3.792 ( 6.467 0.000 -5.622) 8.569 3.987 ( -3.440 0.000 15.716) 16.088 3.990 ( 5.093 0.000 12.002) 13.038 4.014 ( 0.655 0.000 7.038) 7.068 4.142 ( 5.188 0.000 8.492) 9.951 4.304 ( -5.515 0.000 -0.237) 5.520 4.353 ( 1.125 0.000 -0.563) 1.258 4.458 ( 1.915 0.000 -0.367) 1.950 4.490 ( 0.121 0.000 -5.106) 5.108 4.650 ( 0.343 0.000 -0.502) 0.608 4.686 ( 0.109 0.000 6.720) 6.720 4.692 ( 0.079 0.000 -5.979) 5.980 4.817 ( 4.547 0.000 9.363) 10.409 5.057 ( 4.401 0.000 4.745) 6.472 5.099 ( -6.053 0.000 -11.936) 13.383 5.211 ( -0.896 0.000 -5.484) 5.557 5.276 ( -2.594 0.000 -0.714) 2.690 5.321 ( 1.220 0.000 -12.525) 12.584 5.545 ( -0.079 0.000 -6.662) 6.662 5.554 ( 1.550 0.000 -9.740) 9.863 5.652 ( -1.580 0.000 -5.483) 5.706 5.807 ( -0.005 0.000 0.755) 0.755 5.958 ( 1.099 0.000 -1.106) 1.559 6.190 ( -3.646 0.000 3.205) 4.854 6.199 ( 2.964 0.000 1.149) 3.179 6.247 ( -3.583 0.000 -0.438) 3.610 6.248 ( 3.812 0.000 -1.188) 3.993 6.483 ( -2.830 0.000 1.112) 3.040 6.556 ( -6.421 0.000 -2.282) 6.814 6.623 ( 3.563 0.000 7.189) 8.023 6.809 ( -1.341 0.000 10.186) 10.274 6.928 ( 0.366 0.000 -5.888) 5.900 7.077 ( -0.162 0.000 0.148) 0.220 7.120 ( 3.003 0.000 -4.769) 5.636 7.122 ( 1.363 0.000 0.120) 1.369 7.584 ( 1.084 0.000 7.161) 7.242 7.649 ( 6.860 0.000 -1.318) 6.986 7.688 ( 5.424 0.000 -3.526) 6.469 7.850 ( 1.117 0.000 -3.117) 3.311 7.953 ( -2.398 0.000 -1.674) 2.925 8.008 ( -4.077 0.000 -5.205) 6.611 8.124 ( -1.009 0.000 6.417) 6.496 8.313 ( -1.863 0.000 3.329) 3.815 8.407 ( 1.692 0.000 -2.058) 2.664 8.526 ( 0.360 0.000 -9.352) 9.359 8.700 ( -1.555 0.000 5.423) 5.641 8.811 ( -6.536 0.000 -0.337) 6.545 9.145 ( -4.238 0.000 0.432) 4.260 9.207 ( -1.778 0.000 -2.297) 2.905 9.529 ( -2.212 0.000 -2.090) 3.043 9.567 ( -1.320 0.000 -4.131) 4.336 9.729 ( 2.558 0.000 2.152) 3.343 9.820 ( 0.872 0.000 -1.705) 1.915 10.127 ( -1.644 0.000 1.534) 2.248 10.171 ( -1.643 0.000 -0.263) 1.664 10.491 ( -0.678 0.000 4.346) 4.399 10.563 ( -3.733 0.000 3.656) 5.225 10.635 ( -0.721 0.000 -1.263) 1.454 10.650 ( -3.082 0.000 0.836) 3.194 10.909 ( 7.910 0.000 4.367) 9.035 11.001 ( 10.670 0.000 -1.529) 10.779 11.110 ( 7.498 0.000 1.787) 7.708 11.211 ( 4.606 0.000 -3.011) 5.503 11.219 ( 7.943 0.000 5.509) 9.666 11.262 ( 8.808 0.000 3.430) 9.453 11.445 ( 1.629 0.000 3.863) 4.193 11.632 ( 1.456 0.000 -3.148) 3.468 11.735 ( 0.639 0.000 4.877) 4.918 11.894 ( 0.747 0.000 0.095) 0.752 12.143 ( 1.559 0.000 -0.331) 1.594 12.185 ( -3.788 0.000 1.329) 4.014 12.335 ( -0.105 0.000 -6.723) 6.724 12.358 ( 3.554 0.000 -8.122) 8.866 12.662 ( 0.032 0.000 4.842) 4.842 12.723 ( 0.926 0.000 2.275) 2.456 12.801 ( -0.399 0.000 1.848) 1.891 12.874 ( 2.263 0.000 -1.524) 2.728 12.966 ( -0.164 0.000 1.442) 1.451 13.114 ( -1.045 0.000 -4.073) 4.205 13.607 ( 11.940 0.000 -3.080) 12.330 13.630 ( 11.516 0.000 -3.983) 12.186 13.782 ( 8.631 0.000 -6.570) 10.847 13.792 ( 7.924 0.000 -6.496) 10.246 14.532 ( 3.524 0.000 -2.548) 4.348 14.559 ( 3.445 0.000 -3.936) 5.230 14.745 ( 1.474 0.000 1.352) 2.000 14.789 ( 2.316 0.000 -0.846) 2.466 15.642 ( 1.292 0.000 6.259) 6.391 15.817 ( 0.342 0.000 -3.644) 3.660 16.731 ( -7.582 0.000 6.292) 9.853 16.830 ( -8.410 0.000 5.509) 10.054 16.941 ( -10.314 0.000 -0.279) 10.318 16.965 ( -9.992 0.000 -6.035) 11.673 17.847 ( -11.738 0.000 2.151) 11.934 17.901 ( -11.291 0.000 -0.323) 11.296 18.083 ( -6.030 0.000 -0.345) 6.040 18.133 ( -6.205 0.000 -2.540) 6.704 18.480 ( -7.844 0.000 -0.799) 7.885 18.503 ( -7.844 0.000 -1.741) 8.035 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 6.724 0.000 12.006) 13.761 2.021 ( 1.719 0.000 -7.421) 7.617 2.272 ( 3.105 0.000 4.745) 5.671 2.346 ( 0.587 0.000 10.266) 10.283 2.451 ( 2.501 0.000 0.670) 2.589 2.546 ( 12.352 0.000 11.114) 16.616 2.634 ( 8.051 0.000 10.590) 13.303 2.707 ( 10.692 0.000 1.601) 10.811 2.836 ( 3.408 0.000 10.079) 10.639 2.847 ( 5.189 0.000 1.571) 5.421 3.099 ( 1.991 0.000 2.779) 3.419 3.106 ( -4.565 0.000 0.026) 4.565 3.159 ( 3.573 0.000 1.358) 3.823 3.315 ( 5.741 0.000 -8.513) 10.268 3.324 ( 1.471 0.000 2.861) 3.217 3.483 ( 4.562 0.000 -4.751) 6.587 3.517 ( 7.165 0.000 -1.692) 7.362 3.599 ( 2.112 0.000 -0.783) 2.253 3.635 ( -1.794 0.000 2.583) 3.145 3.760 ( 2.565 0.000 -2.279) 3.431 3.797 ( 5.392 0.000 0.018) 5.392 3.937 ( 2.244 0.000 2.561) 3.405 3.968 ( 2.901 0.000 13.971) 14.269 4.034 ( 8.533 0.000 -1.316) 8.633 4.106 ( -1.181 0.000 -1.241) 1.713 4.248 ( 2.673 0.000 3.919) 4.744 4.276 ( 8.090 0.000 5.575) 9.825 4.356 ( 0.057 0.000 2.388) 2.389 4.480 ( 0.175 0.000 0.056) 0.184 4.510 ( 3.893 0.000 1.029) 4.027 4.649 ( -0.933 0.000 -3.952) 4.060 4.690 ( -0.001 0.000 2.402) 2.402 4.756 ( 6.132 0.000 -8.349) 10.359 4.865 ( -2.672 0.000 -1.429) 3.030 5.037 ( 2.987 0.000 -3.010) 4.240 5.088 ( -2.477 0.000 1.638) 2.970 5.192 ( -1.512 0.000 -4.467) 4.716 5.287 ( 5.516 0.000 4.225) 6.948 5.330 ( -0.067 0.000 -8.313) 8.314 5.534 ( -1.833 0.000 -4.526) 4.884 5.596 ( -3.318 0.000 -2.259) 4.014 5.599 ( 2.784 0.000 -8.338) 8.790 5.798 ( -1.140 0.000 -1.066) 1.561 5.977 ( 0.604 0.000 -4.251) 4.293 6.068 ( -8.163 0.000 1.645) 8.327 6.085 ( -11.812 0.000 0.192) 11.814 6.279 ( 4.508 0.000 2.040) 4.948 6.342 ( 4.754 0.000 -1.198) 4.902 6.393 ( -2.975 0.000 3.542) 4.625 6.495 ( -1.052 0.000 -2.806) 2.996 6.714 ( 4.910 0.000 5.951) 7.716 6.867 ( 5.659 0.000 8.187) 9.952 6.938 ( 0.460 0.000 -4.558) 4.581 7.084 ( 1.201 0.000 3.626) 3.820 7.166 ( 2.356 0.000 -5.975) 6.423 7.167 ( 3.052 0.000 -0.241) 3.061 7.616 ( 1.437 0.000 4.226) 4.464 7.709 ( -2.039 0.000 2.372) 3.128 7.758 ( -0.619 0.000 -0.248) 0.667 7.849 ( -7.227 0.000 -5.077) 8.832 7.881 ( 1.140 0.000 -0.374) 1.200 7.944 ( -0.777 0.000 -2.300) 2.428 8.194 ( 8.502 0.000 2.415) 8.839 8.297 ( 1.550 0.000 0.559) 1.648 8.454 ( 2.217 0.000 -2.762) 3.542 8.544 ( 1.718 0.000 -8.507) 8.678 8.611 ( -8.730 0.000 3.850) 9.542 8.652 ( -6.629 0.000 2.337) 7.029 9.088 ( -0.378 0.000 2.578) 2.605 9.218 ( 2.447 0.000 -3.879) 4.586 9.467 ( -3.448 0.000 -0.462) 3.479 9.529 ( -2.386 0.000 -3.527) 4.258 9.800 ( 4.224 0.000 1.542) 4.496 9.854 ( 2.314 0.000 -0.873) 2.473 10.082 ( -2.998 0.000 1.554) 3.377 10.120 ( -3.148 0.000 0.099) 3.150 10.459 ( -6.139 0.000 3.888) 7.267 10.481 ( -0.084 0.000 3.560) 3.561 10.559 ( -5.586 0.000 -0.055) 5.586 10.605 ( -1.947 0.000 -1.566) 2.499 11.053 ( 6.057 0.000 4.466) 7.525 11.171 ( 4.051 0.000 -2.758) 4.900 11.269 ( 8.327 0.000 2.601) 8.724 11.392 ( 7.264 0.000 5.242) 8.958 11.393 ( 10.096 0.000 -2.807) 10.479 11.443 ( 5.600 0.000 0.980) 5.685 11.512 ( 6.899 0.000 7.645) 10.298 11.690 ( 4.631 0.000 -1.833) 4.981 11.764 ( 2.529 0.000 5.739) 6.271 11.952 ( 5.191 0.000 -0.452) 5.211 12.092 ( -4.996 0.000 1.673) 5.268 12.217 ( 6.525 0.000 2.483) 6.981 12.298 ( -3.441 0.000 -7.631) 8.371 12.428 ( 3.187 0.000 -4.246) 5.309 12.678 ( 0.903 0.000 3.706) 3.814 12.738 ( 1.014 0.000 -0.776) 1.277 12.801 ( 0.387 0.000 0.248) 0.459 12.921 ( 2.105 0.000 -4.072) 4.584 12.956 ( -1.371 0.000 1.616) 2.119 13.086 ( -1.970 0.000 -3.790) 4.272 13.965 ( 23.024 0.000 -3.363) 23.268 13.966 ( 8.672 0.000 -3.355) 9.299 13.986 ( 23.094 0.000 -4.835) 23.595 14.002 ( 10.130 0.000 -4.996) 11.295 14.651 ( 8.233 0.000 -1.101) 8.306 14.672 ( 7.862 0.000 -2.401) 8.220 14.766 ( -0.157 0.000 1.331) 1.340 14.820 ( -0.430 0.000 -0.834) 0.938 15.715 ( 6.699 0.000 2.750) 7.241 15.867 ( 5.591 0.000 -6.097) 8.272 16.516 ( -12.969 0.000 5.431) 14.061 16.625 ( -10.145 0.000 3.387) 10.695 16.686 ( -16.610 0.000 -3.165) 16.909 16.695 ( -11.975 0.000 -0.339) 11.980 17.504 ( -21.468 0.000 1.670) 21.533 17.566 ( -21.207 0.000 -1.072) 21.235 17.914 ( -10.060 0.000 -0.289) 10.064 17.956 ( -10.649 0.000 -2.207) 10.875 18.253 ( -13.978 0.000 -1.560) 14.065 18.276 ( -13.990 0.000 -2.507) 14.212 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.996 0.000 8.981) 11.385 2.028 ( -1.045 0.000 -2.159) 2.399 2.369 ( 1.902 0.000 7.349) 7.591 2.377 ( 6.608 0.000 1.695) 6.822 2.522 ( 4.077 0.000 -3.198) 5.182 2.613 ( -3.383 0.000 -4.060) 5.285 2.776 ( 5.235 0.000 7.343) 9.018 2.899 ( 9.190 0.000 13.087) 15.991 2.901 ( 3.092 0.000 4.323) 5.315 3.015 ( -4.201 0.000 1.782) 4.563 3.076 ( 12.502 0.000 6.170) 13.941 3.179 ( 5.070 0.000 0.338) 5.081 3.247 ( 4.709 0.000 -0.381) 4.724 3.281 ( -6.386 0.000 -7.018) 9.489 3.304 ( -2.513 0.000 3.837) 4.587 3.577 ( -3.644 0.000 0.918) 3.758 3.628 ( 0.743 0.000 -0.022) 0.743 3.652 ( 9.680 0.000 0.103) 9.680 3.675 ( 8.112 0.000 0.488) 8.127 3.783 ( 0.839 0.000 -2.698) 2.826 3.875 ( -0.806 0.000 2.336) 2.471 3.916 ( -4.115 0.000 0.240) 4.122 4.089 ( 7.030 0.000 4.754) 8.487 4.105 ( 7.471 0.000 0.310) 7.477 4.204 ( -3.972 0.000 5.412) 6.713 4.295 ( 12.177 0.000 -4.808) 13.092 4.351 ( -2.092 0.000 3.035) 3.686 4.495 ( 9.186 0.000 2.368) 9.486 4.550 ( 3.822 0.000 -4.302) 5.754 4.617 ( -0.432 0.000 2.013) 2.059 4.645 ( 7.569 0.000 2.997) 8.140 4.676 ( 0.846 0.000 -3.236) 3.344 4.796 ( -0.929 0.000 -3.948) 4.055 4.865 ( 0.855 0.000 -9.138) 9.178 5.072 ( 4.122 0.000 1.019) 4.246 5.132 ( 3.077 0.000 -0.885) 3.201 5.154 ( -0.038 0.000 -3.330) 3.330 5.325 ( -1.154 0.000 -5.527) 5.646 5.434 ( 6.523 0.000 4.292) 7.808 5.446 ( -4.901 0.000 0.871) 4.978 5.541 ( -2.645 0.000 -2.564) 3.684 5.641 ( -0.467 0.000 -5.660) 5.679 5.773 ( -0.657 0.000 -0.011) 0.657 5.848 ( -9.040 0.000 0.897) 9.085 5.883 ( -9.065 0.000 -0.338) 9.071 5.967 ( -1.915 0.000 -6.202) 6.491 6.365 ( -0.286 0.000 3.584) 3.596 6.366 ( 3.785 0.000 2.265) 4.411 6.421 ( 2.670 0.000 -0.470) 2.711 6.471 ( -1.645 0.000 -2.662) 3.129 6.808 ( 4.143 0.000 4.971) 6.471 6.942 ( -0.206 0.000 -1.253) 1.270 7.014 ( 8.478 0.000 6.673) 10.789 7.143 ( 4.846 0.000 4.691) 6.745 7.230 ( 4.020 0.000 -3.615) 5.407 7.246 ( 4.715 0.000 -0.756) 4.775 7.595 ( -4.350 0.000 0.864) 4.435 7.604 ( -7.095 0.000 3.695) 8.000 7.671 ( -6.704 0.000 0.717) 6.742 7.678 ( -8.604 0.000 -2.834) 9.058 7.929 ( 4.549 0.000 0.908) 4.639 7.995 ( 5.179 0.000 -2.256) 5.649 8.356 ( 5.030 0.000 -0.084) 5.031 8.412 ( -9.723 0.000 4.760) 10.826 8.413 ( 9.217 0.000 -2.811) 9.636 8.487 ( 1.237 0.000 -2.438) 2.734 8.508 ( -8.058 0.000 -0.267) 8.062 8.592 ( 2.380 0.000 -7.398) 7.772 9.130 ( 3.963 0.000 3.951) 5.596 9.277 ( 2.576 0.000 -3.680) 4.492 9.405 ( -2.156 0.000 1.061) 2.403 9.478 ( -2.481 0.000 -2.410) 3.459 9.888 ( 3.881 0.000 0.699) 3.944 9.906 ( 2.667 0.000 -0.384) 2.694 10.003 ( -4.093 0.000 2.066) 4.585 10.053 ( -3.457 0.000 -0.620) 3.512 10.333 ( -5.495 0.000 4.030) 6.814 10.434 ( -6.359 0.000 -0.271) 6.365 10.491 ( 0.969 0.000 2.232) 2.433 10.565 ( -1.749 0.000 -1.046) 2.038 11.150 ( 3.182 0.000 2.418) 3.996 11.209 ( 0.299 0.000 -1.192) 1.229 11.411 ( 5.553 0.000 3.157) 6.387 11.471 ( 1.325 0.000 3.908) 4.126 11.503 ( 1.418 0.000 2.274) 2.680 11.530 ( 3.548 0.000 -1.825) 3.990 11.683 ( 7.900 0.000 7.604) 10.965 11.817 ( 6.814 0.000 0.184) 6.817 11.843 ( 4.802 0.000 7.953) 9.290 12.001 ( -3.463 0.000 1.441) 3.750 12.056 ( 3.147 0.000 -0.089) 3.149 12.211 ( -4.748 0.000 -6.817) 8.307 12.422 ( 12.100 0.000 2.217) 12.302 12.516 ( 6.966 0.000 1.106) 7.053 12.694 ( 1.051 0.000 1.103) 1.524 12.773 ( 2.342 0.000 -1.708) 2.899 12.807 ( -0.270 0.000 -0.416) 0.496 12.902 ( -3.762 0.000 -0.353) 3.779 12.952 ( 0.654 0.000 -4.852) 4.895 13.023 ( -4.140 0.000 -4.468) 6.091 14.107 ( 5.506 0.000 -0.501) 5.529 14.157 ( 5.420 0.000 -2.553) 5.991 14.513 ( 28.894 0.000 -2.045) 28.967 14.530 ( 28.440 0.000 -3.055) 28.604 14.694 ( -7.797 0.000 -0.374) 7.806 14.731 ( -8.588 0.000 -1.639) 8.743 14.857 ( 11.439 0.000 0.099) 11.439 14.885 ( 12.931 0.000 -1.577) 13.027 15.933 ( 14.364 0.000 -0.245) 14.367 16.061 ( 12.777 0.000 -7.286) 14.709 16.236 ( -13.148 0.000 3.934) 13.724 16.331 ( -16.701 0.000 -0.348) 16.705 16.474 ( -4.093 0.000 1.464) 4.346 16.517 ( -4.751 0.000 -0.936) 4.842 16.994 ( -27.846 0.000 0.548) 27.851 17.056 ( -28.069 0.000 -2.022) 28.141 17.699 ( -10.174 0.000 -0.701) 10.198 17.726 ( -11.016 0.000 -2.019) 11.200 17.934 ( -16.387 0.000 -2.578) 16.588 17.958 ( -16.349 0.000 -3.661) 16.754 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 5.946 0.000 5.948) 8.411 1.979 ( -3.736 0.000 2.482) 4.485 2.427 ( 3.781 0.000 3.566) 5.198 2.512 ( 5.880 0.000 -2.311) 6.318 2.519 ( -4.988 0.000 -0.687) 5.036 2.578 ( 0.143 0.000 -5.280) 5.282 2.848 ( 2.690 0.000 4.187) 4.977 2.912 ( -3.292 0.000 1.563) 3.645 3.002 ( 4.736 0.000 1.827) 5.076 3.056 ( 6.647 0.000 9.571) 11.653 3.132 ( -7.420 0.000 -2.410) 7.802 3.176 ( -4.431 0.000 4.603) 6.389 3.282 ( 4.163 0.000 4.020) 5.787 3.317 ( 3.099 0.000 -0.855) 3.215 3.335 ( 5.502 0.000 5.008) 7.440 3.478 ( -6.104 0.000 2.536) 6.610 3.667 ( 4.138 0.000 -1.485) 4.396 3.785 ( -6.376 0.000 -2.235) 6.756 3.809 ( 1.751 0.000 -2.508) 3.059 3.813 ( 5.282 0.000 1.970) 5.638 3.822 ( 4.755 0.000 0.810) 4.823 3.850 ( -2.192 0.000 -2.220) 3.120 4.138 ( -0.539 0.000 7.798) 7.817 4.170 ( -1.700 0.000 2.751) 3.234 4.300 ( 9.303 0.000 2.322) 9.589 4.356 ( 4.607 0.000 1.024) 4.720 4.429 ( -1.252 0.000 -0.987) 1.594 4.482 ( -6.320 0.000 -4.343) 7.668 4.588 ( 2.147 0.000 -1.983) 2.922 4.632 ( -1.205 0.000 -3.955) 4.134 4.703 ( 4.587 0.000 -1.502) 4.827 4.794 ( -4.850 0.000 -5.257) 7.152 4.873 ( 10.166 0.000 -0.951) 10.210 4.928 ( 11.316 0.000 -3.522) 11.852 5.099 ( -5.599 0.000 -0.371) 5.611 5.195 ( -10.093 0.000 -4.722) 11.143 5.223 ( 6.197 0.000 0.941) 6.268 5.238 ( 7.758 0.000 0.114) 7.758 5.440 ( 2.194 0.000 3.580) 4.199 5.471 ( -3.020 0.000 -1.251) 3.268 5.485 ( -2.465 0.000 0.381) 2.495 5.532 ( -7.580 0.000 -3.679) 8.426 5.758 ( -0.826 0.000 0.665) 1.060 5.777 ( -1.284 0.000 -0.037) 1.285 5.800 ( 3.597 0.000 -2.123) 4.177 5.896 ( -4.813 0.000 -5.575) 7.365 6.378 ( 1.584 0.000 2.047) 2.588 6.425 ( -2.657 0.000 -0.631) 2.731 6.427 ( 2.052 0.000 1.894) 2.793 6.448 ( 0.048 0.000 0.828) 0.830 6.880 ( 2.889 0.000 4.024) 4.953 6.925 ( -1.512 0.000 2.108) 2.594 7.198 ( 9.058 0.000 4.997) 10.345 7.276 ( 7.671 0.000 3.186) 8.306 7.310 ( 1.615 0.000 0.185) 1.626 7.354 ( 5.057 0.000 -0.968) 5.149 7.461 ( -6.984 0.000 0.853) 7.036 7.462 ( -4.465 0.000 2.552) 5.143 7.513 ( -7.433 0.000 -2.317) 7.786 7.523 ( -7.000 0.000 0.242) 7.004 8.057 ( 7.373 0.000 2.386) 7.750 8.140 ( 8.465 0.000 -2.117) 8.725 8.224 ( -8.521 0.000 3.907) 9.374 8.329 ( -9.259 0.000 -1.799) 9.432 8.444 ( 3.388 0.000 -2.048) 3.959 8.485 ( -0.642 0.000 -3.722) 3.777 8.572 ( 4.764 0.000 -3.391) 5.847 8.619 ( -0.115 0.000 -5.422) 5.423 9.226 ( 4.759 0.000 2.794) 5.519 9.294 ( -1.343 0.000 -0.721) 1.524 9.391 ( 0.863 0.000 1.447) 1.685 9.428 ( -2.335 0.000 -0.289) 2.353 9.942 ( 1.602 0.000 0.021) 1.602 9.950 ( -0.542 0.000 0.830) 0.992 9.951 ( 1.038 0.000 -0.476) 1.142 9.982 ( -3.153 0.000 -0.815) 3.257 10.267 ( -0.387 0.000 2.994) 3.019 10.316 ( -4.676 0.000 0.776) 4.740 10.514 ( 1.186 0.000 1.177) 1.670 10.537 ( -1.124 0.000 0.134) 1.132 11.187 ( 0.844 0.000 0.390) 0.930 11.201 ( -0.707 0.000 -0.492) 0.861 11.488 ( 0.706 0.000 3.547) 3.616 11.505 ( -0.809 0.000 2.964) 3.072 11.506 ( 3.789 0.000 2.289) 4.427 11.556 ( -0.817 0.000 0.118) 0.825 11.815 ( 5.094 0.000 6.426) 8.201 11.889 ( -1.550 0.000 4.204) 4.481 11.950 ( 5.546 0.000 7.841) 9.604 12.000 ( 4.621 0.000 -1.924) 5.005 12.049 ( -3.391 0.000 3.509) 4.879 12.109 ( -5.260 0.000 -4.492) 6.917 12.622 ( 7.999 0.000 3.529) 8.743 12.714 ( 5.240 0.000 -0.938) 5.323 12.734 ( 3.035 0.000 -0.863) 3.155 12.788 ( 2.148 0.000 2.681) 3.435 12.812 ( -3.980 0.000 -0.073) 3.980 12.837 ( 3.341 0.000 -4.543) 5.640 12.921 ( -4.498 0.000 -2.356) 5.077 12.927 ( -4.924 0.000 -4.408) 6.609 14.239 ( 8.470 0.000 -1.498) 8.601 14.277 ( 7.572 0.000 -2.697) 8.038 14.471 ( -12.256 0.000 -1.887) 12.400 14.501 ( -12.379 0.000 -2.812) 12.695 14.990 ( 14.831 0.000 1.577) 14.914 15.047 ( 15.582 0.000 -0.913) 15.608 15.078 ( 9.788 0.000 1.884) 9.967 15.153 ( 9.071 0.000 -1.496) 9.194 16.087 ( 2.802 0.000 0.263) 2.814 16.117 ( 0.999 0.000 0.182) 1.015 16.239 ( 13.397 0.000 -0.611) 13.411 16.324 ( 10.726 0.000 -4.831) 11.764 16.418 ( -26.376 0.000 -0.655) 26.384 16.418 ( -3.387 0.000 0.488) 3.422 16.464 ( -2.616 0.000 -1.763) 3.155 16.469 ( -27.455 0.000 -2.505) 27.569 17.549 ( -3.068 0.000 -1.780) 3.547 17.563 ( -3.323 0.000 -2.897) 4.408 17.640 ( -10.384 0.000 -3.240) 10.878 17.662 ( -10.936 0.000 -4.502) 11.826 ======================= Grid point 117 (46/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 8.922 10.127) 13.497 1.760 ( 0.000 -12.670 -0.531) 12.681 2.150 ( 0.000 3.310 16.630) 16.956 2.222 ( 0.000 -3.150 9.239) 9.762 2.344 ( 0.000 3.787 5.462) 6.646 2.434 ( 0.000 -3.405 0.971) 3.540 2.436 ( 0.000 4.421 16.858) 17.429 2.571 ( 0.000 -7.790 16.948) 18.653 2.587 ( 0.000 14.467 3.734) 14.942 2.841 ( 0.000 -6.747 3.073) 7.414 2.947 ( 0.000 -1.439 -7.257) 7.398 3.019 ( 0.000 -5.331 -4.421) 6.925 3.118 ( 0.000 2.597 -3.956) 4.732 3.213 ( 0.000 -6.424 -5.254) 8.299 3.321 ( 0.000 8.700 5.443) 10.262 3.356 ( 0.000 5.035 0.235) 5.041 3.473 ( 0.000 11.380 2.084) 11.569 3.516 ( 0.000 -0.635 -0.468) 0.789 3.582 ( 0.000 -8.223 -1.515) 8.362 3.689 ( 0.000 1.222 3.357) 3.572 3.702 ( 0.000 -6.236 -1.611) 6.441 3.717 ( 0.000 -0.095 -4.804) 4.805 3.849 ( 0.000 -4.337 6.033) 7.430 3.870 ( 0.000 -2.958 11.219) 11.602 4.148 ( 0.000 3.935 6.401) 7.514 4.165 ( 0.000 2.202 3.739) 4.339 4.382 ( 0.000 3.004 0.590) 3.061 4.402 ( 0.000 -0.019 -0.644) 0.644 4.430 ( 0.000 3.411 0.671) 3.477 4.528 ( 0.000 1.902 6.690) 6.955 4.589 ( 0.000 -3.804 3.521) 5.183 4.653 ( 0.000 -3.595 -2.120) 4.174 4.660 ( 0.000 0.583 -1.727) 1.823 4.718 ( 0.000 -4.204 5.302) 6.767 5.113 ( 0.000 6.645 0.370) 6.655 5.143 ( 0.000 -0.267 -11.803) 11.806 5.214 ( 0.000 -3.035 -5.153) 5.980 5.240 ( 0.000 -1.122 -0.882) 1.427 5.404 ( 0.000 4.455 -8.363) 9.475 5.489 ( 0.000 -3.890 -9.024) 9.827 5.575 ( 0.000 2.464 -8.728) 9.069 5.631 ( 0.000 -2.781 -7.727) 8.212 5.832 ( 0.000 2.532 0.761) 2.644 5.900 ( 0.000 -3.571 -0.257) 3.581 6.169 ( 0.000 0.534 0.495) 0.728 6.189 ( 0.000 -1.232 -0.128) 1.239 6.320 ( 0.000 6.466 1.781) 6.707 6.326 ( 0.000 3.731 0.891) 3.836 6.470 ( 0.000 -1.251 1.723) 2.129 6.559 ( 0.000 -6.593 -2.523) 7.059 6.647 ( 0.000 5.131 6.865) 8.570 6.777 ( 0.000 -7.833 6.946) 10.469 6.980 ( 0.000 2.282 -3.683) 4.332 7.018 ( 0.000 -1.218 -0.985) 1.567 7.093 ( 0.000 0.681 -0.745) 1.009 7.102 ( 0.000 -0.416 0.138) 0.438 7.515 ( 0.000 -0.071 -3.130) 3.131 7.553 ( 0.000 -3.421 -5.720) 6.665 7.750 ( 0.000 9.515 5.841) 11.165 7.859 ( 0.000 -0.616 2.134) 2.221 7.983 ( 0.000 1.064 -1.937) 2.210 8.031 ( 0.000 -2.850 -2.498) 3.790 8.195 ( 0.000 4.967 1.645) 5.232 8.294 ( 0.000 -3.430 2.503) 4.247 8.422 ( 0.000 2.141 -2.152) 3.036 8.483 ( 0.000 -3.355 -8.839) 9.454 8.764 ( 0.000 5.329 5.215) 7.456 8.890 ( 0.000 -0.856 0.253) 0.892 8.992 ( 0.000 -8.929 -0.955) 8.980 9.066 ( 0.000 -10.025 -2.642) 10.367 9.672 ( 0.000 3.166 1.191) 3.383 9.723 ( 0.000 -0.718 -1.594) 1.748 9.794 ( 0.000 10.150 -2.346) 10.418 9.840 ( 0.000 7.241 -5.240) 8.938 10.158 ( 0.000 0.058 1.021) 1.023 10.186 ( 0.000 -1.202 -0.458) 1.286 10.442 ( 0.000 -2.139 4.039) 4.570 10.487 ( 0.000 -5.976 2.061) 6.322 10.702 ( 0.000 2.246 2.665) 3.485 10.714 ( 0.000 1.163 2.351) 2.623 10.828 ( 0.000 1.579 1.386) 2.101 10.855 ( 0.000 -0.754 1.626) 1.792 11.000 ( 0.000 -0.391 1.384) 1.438 11.052 ( 0.000 -4.712 0.382) 4.728 11.202 ( 0.000 1.936 4.302) 4.718 11.209 ( 0.000 1.186 2.446) 2.718 11.473 ( 0.000 4.285 1.517) 4.545 11.569 ( 0.000 -4.316 -1.150) 4.467 11.777 ( 0.000 3.884 2.731) 4.748 11.859 ( 0.000 -3.491 1.346) 3.741 12.085 ( 0.000 0.285 -4.993) 5.001 12.160 ( 0.000 -6.485 -7.217) 9.703 12.373 ( 0.000 9.530 1.472) 9.643 12.478 ( 0.000 4.834 -4.776) 6.796 12.609 ( 0.000 -5.742 5.035) 7.637 12.641 ( 0.000 -3.679 1.156) 3.856 12.815 ( 0.000 0.626 2.971) 3.036 12.836 ( 0.000 -1.073 3.038) 3.222 13.002 ( 0.000 3.058 -2.622) 4.028 13.078 ( 0.000 -4.040 -4.807) 6.279 13.490 ( 0.000 0.718 -2.314) 2.423 13.506 ( 0.000 -0.715 -2.597) 2.694 13.703 ( 0.000 1.327 -6.711) 6.841 13.716 ( 0.000 0.128 -7.230) 7.231 14.504 ( 0.000 0.524 -3.533) 3.572 14.516 ( 0.000 -0.659 -4.156) 4.208 14.752 ( 0.000 1.763 0.290) 1.787 14.768 ( 0.000 0.285 -0.571) 0.638 15.661 ( 0.000 3.063 5.907) 6.654 15.753 ( 0.000 -5.346 0.805) 5.406 16.796 ( 0.000 0.142 4.010) 4.012 16.844 ( 0.000 -4.429 2.853) 5.268 17.115 ( 0.000 3.689 -0.108) 3.691 17.132 ( 0.000 2.495 -2.326) 3.411 17.949 ( 0.000 -0.614 1.083) 1.245 17.975 ( 0.000 -2.878 -0.087) 2.879 18.178 ( 0.000 2.152 -0.488) 2.206 18.203 ( 0.000 -0.131 -1.585) 1.591 18.568 ( 0.000 0.580 -0.812) 0.998 18.579 ( 0.000 -0.494 -1.283) 1.375 ======================= Grid point 118 (47/60) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 3.357 7.962 9.764) 13.039 1.782 ( 2.323 -12.647 0.055) 12.859 2.265 ( 5.719 2.515 9.817) 11.636 2.296 ( 6.683 2.003 7.519) 10.257 2.387 ( 4.189 -1.108 7.836) 8.954 2.428 ( 3.924 -0.797 4.802) 6.252 2.498 ( 5.830 3.634 17.434) 18.739 2.617 ( 3.089 14.282 2.149) 14.770 2.623 ( 4.337 -7.896 13.880) 16.547 2.886 ( 3.683 -4.653 2.691) 6.516 2.937 ( -0.818 -3.728 -5.571) 6.753 3.015 ( -0.417 -5.229 -2.725) 5.911 3.182 ( 5.430 2.539 -6.889) 9.132 3.277 ( 3.808 -6.347 -7.551) 10.574 3.327 ( -0.369 8.603 5.325) 10.125 3.364 ( 3.709 7.187 2.914) 8.597 3.515 ( 2.991 9.515 0.755) 10.002 3.560 ( 4.067 -2.673 0.091) 4.867 3.584 ( 0.420 -8.821 1.081) 8.897 3.671 ( -0.809 -0.166 3.780) 3.869 3.739 ( 3.085 -1.867 -2.066) 4.156 3.749 ( 3.356 -1.704 -4.173) 5.620 3.870 ( 1.986 -2.955 5.762) 6.773 3.928 ( 5.098 -4.422 8.370) 10.751 4.119 ( -1.310 4.918 5.170) 7.254 4.171 ( 0.257 -0.429 3.858) 3.891 4.352 ( -2.449 3.597 1.385) 4.567 4.408 ( -1.103 -0.921 -0.203) 1.452 4.439 ( 3.585 5.729 1.813) 6.997 4.559 ( -0.296 3.336 0.870) 3.460 4.595 ( 1.805 -6.739 7.067) 9.931 4.624 ( -2.265 -3.216 -3.527) 5.283 4.695 ( 4.105 2.790 -3.051) 5.826 4.785 ( 5.888 -3.932 5.812) 9.160 5.081 ( -5.232 0.514 -11.098) 12.280 5.108 ( -1.924 0.262 -4.896) 5.267 5.211 ( 1.421 2.080 1.509) 2.937 5.262 ( 1.049 -0.747 -0.180) 1.300 5.400 ( -0.159 5.119 -9.029) 10.380 5.501 ( 1.078 -4.431 -8.354) 9.518 5.568 ( -0.701 1.892 -7.305) 7.579 5.618 ( -1.223 -2.745 -6.495) 7.156 5.853 ( 1.610 3.812 -0.376) 4.155 5.927 ( 2.252 -2.928 -1.199) 3.884 6.153 ( -1.608 -0.192 1.857) 2.464 6.187 ( -0.583 -2.857 0.719) 3.003 6.273 ( -5.922 1.376 0.259) 6.086 6.276 ( -3.805 1.915 -0.094) 4.261 6.484 ( 0.859 1.037 1.103) 1.740 6.530 ( -0.866 -2.455 -0.433) 2.639 6.670 ( 2.001 3.972 5.266) 6.893 6.757 ( 0.313 -4.155 6.308) 7.560 6.974 ( 0.205 3.410 -2.050) 3.984 7.043 ( 0.900 -3.256 -0.473) 3.411 7.107 ( 1.508 0.323 -1.631) 2.245 7.122 ( 1.381 -0.814 -2.004) 2.567 7.574 ( 5.054 1.470 -0.159) 5.265 7.635 ( 6.134 -3.823 -3.666) 8.105 7.766 ( 1.548 7.234 4.264) 8.539 7.857 ( -0.312 -1.481 2.432) 2.865 7.966 ( -1.666 1.750 -2.484) 3.465 8.007 ( -2.762 -1.061 -3.493) 4.578 8.170 ( -1.198 5.097 2.295) 5.717 8.287 ( -0.580 -4.204 2.744) 5.054 8.394 ( -2.076 0.844 -4.183) 4.746 8.461 ( -2.053 -4.835 -6.975) 8.732 8.748 ( -1.720 4.285 4.870) 6.711 8.827 ( -5.322 -0.755 1.652) 5.623 9.008 ( 1.612 -5.063 -0.873) 5.385 9.069 ( 1.170 -8.173 -2.795) 8.717 9.642 ( -3.086 2.997 -0.897) 4.394 9.655 ( -5.104 3.014 -2.102) 6.289 9.822 ( 1.961 5.958 -1.164) 6.379 9.835 ( 0.359 5.265 -2.118) 5.686 10.134 ( -2.230 0.004 0.989) 2.440 10.167 ( -1.885 -1.541 -0.610) 2.510 10.430 ( -0.965 -2.467 3.948) 4.755 10.461 ( -2.205 -5.355 2.685) 6.383 10.694 ( -1.619 2.250 1.492) 3.148 10.697 ( -2.061 2.125 1.191) 3.191 10.934 ( 8.203 2.637 2.958) 9.110 10.992 ( 10.961 -1.585 -0.044) 11.075 11.059 ( 5.514 -1.724 0.016) 5.777 11.103 ( 5.185 -5.124 -0.632) 7.317 11.287 ( 7.295 2.117 4.510) 8.834 11.298 ( 8.532 1.149 5.377) 10.151 11.502 ( 2.916 4.953 1.334) 5.901 11.595 ( 2.738 -3.586 -0.995) 4.620 11.776 ( 0.016 3.726 2.786) 4.653 11.859 ( 0.289 -3.629 1.301) 3.866 12.092 ( 0.873 0.610 -3.693) 3.843 12.174 ( 0.948 -6.697 -6.475) 9.363 12.342 ( -2.396 8.743 2.144) 9.315 12.470 ( -1.653 0.166 -2.975) 3.407 12.614 ( 1.791 -0.705 2.308) 3.005 12.678 ( 2.042 -3.705 -0.054) 4.231 12.826 ( 1.091 1.518 2.252) 2.926 12.857 ( 1.864 -1.526 1.403) 2.788 12.997 ( -0.314 2.965 -1.690) 3.427 13.070 ( -0.665 -3.718 -3.686) 5.277 13.610 ( 11.607 0.383 -3.265) 12.063 13.622 ( 11.441 -0.690 -3.707) 12.046 13.795 ( 8.176 0.835 -6.504) 10.481 13.801 ( 8.020 0.375 -6.448) 10.298 14.537 ( 3.481 0.507 -2.872) 4.541 14.550 ( 3.436 -0.686 -3.535) 4.977 14.773 ( 1.676 2.034 0.635) 2.711 14.795 ( 2.117 0.052 -0.445) 2.163 15.666 ( 1.046 2.788 4.524) 5.416 15.754 ( 0.531 -5.143 -0.319) 5.180 16.724 ( -6.831 0.381 3.701) 7.779 16.766 ( -7.191 -3.727 2.564) 8.496 16.994 ( -11.212 3.351 0.246) 11.705 17.013 ( -11.113 1.833 -1.775) 11.402 17.836 ( -10.979 -0.111 1.126) 11.037 17.865 ( -10.798 -2.598 -0.148) 11.107 18.109 ( -6.532 1.872 -0.564) 6.818 18.134 ( -6.594 -0.371 -1.660) 6.810 18.486 ( -7.869 0.564 -1.078) 7.963 18.498 ( -7.868 -0.514 -1.550) 8.035 ======================= Grid point 119 (48/60) ======================= q-point: ( 0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.228 6.587 8.251) 12.258 1.857 ( 4.886 -11.464 0.218) 12.464 2.266 ( -1.371 3.017 4.122) 5.289 2.350 ( -1.446 -4.300 2.091) 4.995 2.556 ( 9.331 6.843 9.478) 14.958 2.634 ( 10.018 1.839 11.983) 15.727 2.689 ( 9.809 7.355 7.686) 14.470 2.725 ( 9.876 3.526 1.104) 10.544 2.744 ( 8.514 -3.368 9.643) 13.297 2.900 ( -0.829 2.102 0.379) 2.291 2.977 ( 2.604 -8.699 3.004) 9.565 3.011 ( 1.346 -7.882 0.278) 8.001 3.227 ( -1.841 3.582 -4.952) 6.383 3.287 ( -0.045 -2.224 -5.155) 5.615 3.414 ( -0.536 6.435 0.729) 6.498 3.446 ( 7.663 2.368 -0.307) 8.027 3.556 ( 0.465 -0.008 -0.909) 1.021 3.614 ( 2.251 -5.461 2.576) 6.444 3.658 ( 6.167 -0.064 -0.306) 6.175 3.727 ( 6.336 1.462 2.283) 6.891 3.821 ( 5.780 1.844 -1.650) 6.287 3.846 ( 4.865 -0.433 3.644) 6.094 3.904 ( 1.387 -2.971 3.768) 4.994 4.000 ( -0.431 -7.714 1.154) 7.811 4.167 ( 7.011 5.149 2.216) 8.976 4.220 ( 5.517 -1.316 2.607) 6.243 4.342 ( 2.422 4.049 2.920) 5.549 4.391 ( 0.586 -0.153 2.709) 2.776 4.486 ( -1.592 2.925 -3.843) 5.085 4.546 ( 0.969 1.145 1.416) 2.062 4.580 ( -0.284 -3.223 -0.644) 3.299 4.646 ( 2.124 -4.235 5.254) 7.075 4.823 ( 7.208 6.083 -6.135) 11.252 4.915 ( 3.113 2.106 3.824) 5.362 4.975 ( -1.472 -3.394 -10.072) 10.730 5.034 ( -3.916 -4.517 -2.485) 6.474 5.247 ( -0.379 3.562 -2.143) 4.174 5.288 ( 2.897 -0.490 1.399) 3.254 5.403 ( 0.620 6.011 -4.681) 7.644 5.520 ( -0.797 -4.134 -4.443) 6.121 5.559 ( 0.703 0.397 -4.405) 4.479 5.590 ( -0.745 -1.728 -5.995) 6.284 5.858 ( -2.416 5.056 -0.642) 5.640 5.946 ( -2.992 -2.856 -1.880) 4.544 6.068 ( -7.131 0.134 1.427) 7.274 6.103 ( -5.038 0.161 -0.109) 5.042 6.174 ( -1.114 -3.205 0.818) 3.490 6.239 ( 0.185 -5.924 -2.343) 6.374 6.506 ( 2.017 6.041 2.485) 6.836 6.566 ( 3.216 1.660 -0.821) 3.711 6.719 ( 2.566 2.049 4.592) 5.645 6.802 ( 3.102 -4.653 3.061) 6.375 6.995 ( 2.111 3.751 0.998) 4.418 7.061 ( 1.474 -2.440 2.912) 4.076 7.155 ( 3.204 -0.501 -1.653) 3.640 7.157 ( 2.388 -0.572 -3.836) 4.555 7.652 ( 1.230 3.361 3.117) 4.746 7.711 ( -0.579 -1.214 2.183) 2.564 7.786 ( -1.287 2.556 0.280) 2.876 7.841 ( -2.290 -2.555 0.514) 3.469 7.912 ( -2.684 3.416 -3.663) 5.683 7.938 ( -1.533 -0.007 -2.445) 2.886 8.215 ( 5.971 2.067 0.891) 6.381 8.294 ( 1.985 -2.478 1.098) 3.359 8.356 ( -1.739 -3.672 -3.684) 5.484 8.408 ( -2.623 -6.032 -2.799) 7.148 8.699 ( -2.762 3.840 2.225) 5.227 8.725 ( -3.589 2.162 0.512) 4.221 9.061 ( 3.687 0.029 0.451) 3.715 9.129 ( 4.307 -5.753 -2.753) 7.696 9.539 ( -5.795 3.330 -1.714) 6.900 9.558 ( -4.925 1.000 -2.606) 5.661 9.863 ( 2.345 4.510 0.280) 5.091 9.871 ( 2.460 2.592 0.174) 3.578 10.070 ( -3.968 -0.886 1.219) 4.245 10.108 ( -3.918 -2.478 -0.627) 4.678 10.407 ( -2.089 -2.122 3.229) 4.392 10.417 ( -0.802 -2.882 3.177) 4.364 10.626 ( -4.477 3.041 0.406) 5.427 10.640 ( -3.524 1.478 -0.044) 3.822 11.075 ( 5.783 2.511 3.790) 7.356 11.155 ( 4.119 -3.788 0.824) 5.656 11.201 ( 7.417 -0.930 -0.719) 7.509 11.257 ( 6.740 -5.590 -1.453) 8.877 11.461 ( 8.242 3.230 6.430) 10.942 11.496 ( 9.741 -0.373 7.421) 12.251 11.602 ( 6.730 6.329 0.161) 9.240 11.683 ( 5.636 -1.946 -0.218) 5.967 11.782 ( 0.724 4.004 2.614) 4.836 11.897 ( 3.966 -5.128 -0.182) 6.485 12.119 ( 0.714 2.194 -1.644) 2.833 12.188 ( 1.093 -4.598 -4.059) 6.230 12.309 ( 0.353 5.448 2.646) 6.067 12.425 ( -1.662 -3.694 0.699) 4.111 12.658 ( 1.907 1.071 -0.896) 2.363 12.709 ( 1.145 -2.634 -1.874) 3.429 12.853 ( 1.277 3.161 0.387) 3.431 12.900 ( 2.037 -1.631 -1.075) 2.822 12.987 ( -0.928 2.663 -1.633) 3.259 13.050 ( -1.518 -3.122 -3.338) 4.816 13.958 ( 20.694 0.040 -3.574) 21.000 13.970 ( 18.900 -0.772 -3.884) 19.311 13.986 ( 13.248 1.012 -4.297) 13.964 14.004 ( 11.245 -0.363 -4.671) 12.182 14.655 ( 8.182 0.379 -1.377) 8.306 14.665 ( 7.927 -0.544 -1.976) 8.187 14.795 ( -0.425 2.118 0.652) 2.257 14.822 ( -0.509 -0.300 -0.440) 0.737 15.736 ( 6.702 2.395 1.010) 7.188 15.811 ( 6.095 -4.473 -3.254) 8.231 16.538 ( -11.005 1.833 3.041) 11.564 16.582 ( -10.038 -2.595 1.426) 10.466 16.712 ( -14.569 1.345 0.351) 14.635 16.718 ( -16.228 1.101 -0.154) 16.266 17.508 ( -20.881 0.760 0.766) 20.909 17.540 ( -20.781 -2.075 -0.612) 20.893 17.930 ( -10.510 1.268 -0.650) 10.606 17.951 ( -10.803 -0.639 -1.614) 10.942 18.258 ( -14.002 0.530 -1.819) 14.130 18.270 ( -14.009 -0.540 -2.295) 14.206 ======================= Grid point 120 (49/60) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.429 6.382 6.186) 11.584 1.969 ( 5.540 -7.334 -0.356) 9.198 2.231 ( -2.085 -0.394 4.139) 4.651 2.317 ( -1.911 -6.881 0.509) 7.159 2.703 ( 6.273 10.466 3.275) 12.633 2.763 ( 2.336 7.395 1.258) 7.857 2.807 ( 4.234 4.212 4.463) 7.456 2.853 ( 3.150 -2.159 3.734) 5.341 2.935 ( 3.155 2.107 8.225) 9.058 3.017 ( 5.766 -0.182 4.991) 7.628 3.036 ( 10.174 -4.770 4.843) 12.236 3.082 ( 4.607 -8.634 1.424) 9.890 3.199 ( -0.460 -0.772 -2.519) 2.675 3.237 ( -3.491 -3.393 -3.303) 5.883 3.365 ( -3.315 5.704 1.321) 6.728 3.490 ( -2.633 -5.851 2.303) 6.817 3.607 ( 4.278 1.187 -2.179) 4.945 3.683 ( 3.828 -3.968 -0.542) 5.540 3.776 ( 3.481 4.463 -1.573) 5.875 3.786 ( -0.005 4.562 -0.050) 4.562 3.915 ( 1.188 2.074 2.773) 3.661 3.933 ( 1.671 2.712 1.401) 3.480 4.010 ( 9.951 -4.347 1.993) 11.040 4.039 ( 8.302 -5.606 0.381) 10.025 4.252 ( -1.605 3.796 3.741) 5.567 4.309 ( 2.881 -1.324 1.878) 3.685 4.411 ( -0.499 5.142 -3.845) 6.440 4.483 ( 2.657 -1.649 -2.180) 3.812 4.513 ( 8.396 -1.739 -0.497) 8.588 4.540 ( 2.460 -4.317 0.977) 5.064 4.652 ( 7.158 0.582 3.561) 8.016 4.679 ( 2.411 -1.459 3.138) 4.217 4.841 ( -3.773 4.237 -4.518) 7.252 4.895 ( -2.284 0.608 -8.723) 9.037 5.046 ( 7.045 -0.475 0.930) 7.122 5.086 ( 5.859 -2.850 -1.418) 6.668 5.239 ( 0.140 5.043 -4.597) 6.825 5.316 ( -1.708 -2.171 -6.744) 7.288 5.436 ( 2.290 1.605 4.582) 5.368 5.463 ( -2.909 0.051 1.004) 3.078 5.558 ( -0.545 2.349 -2.720) 3.635 5.630 ( 2.772 -2.792 -3.842) 5.499 5.718 ( -10.024 0.002 -1.397) 10.121 5.787 ( -9.063 -5.501 -2.037) 10.795 5.971 ( -1.871 8.392 1.415) 8.714 6.073 ( -1.197 6.882 -3.651) 7.882 6.163 ( 0.231 -9.457 2.428) 9.767 6.245 ( -0.180 -9.237 -2.194) 9.495 6.561 ( 2.969 8.600 2.921) 9.555 6.628 ( 2.307 5.766 -0.960) 6.284 6.765 ( 1.840 -2.295 4.546) 5.415 6.845 ( 0.657 -6.620 0.864) 6.708 7.077 ( 6.124 3.271 4.247) 8.138 7.126 ( 5.181 -1.697 4.349) 6.974 7.228 ( 4.575 0.131 -2.673) 5.300 7.238 ( 4.941 -0.682 -1.433) 5.189 7.603 ( -5.482 1.241 2.387) 6.106 7.620 ( -7.065 0.180 3.179) 7.750 7.691 ( -7.071 2.254 -0.718) 7.456 7.711 ( -8.224 1.012 -1.146) 8.365 7.942 ( 4.148 1.525 -0.049) 4.420 7.978 ( 4.294 -1.512 -1.556) 4.811 8.272 ( -3.444 -4.833 0.873) 5.999 8.300 ( -3.467 -7.612 -1.024) 8.427 8.396 ( 7.143 2.795 -0.819) 7.714 8.437 ( 6.691 -0.647 -2.321) 7.112 8.653 ( -1.479 5.660 -1.045) 5.942 8.687 ( -0.852 2.743 -3.027) 4.173 9.150 ( 4.663 2.599 1.794) 5.631 9.224 ( 4.497 -4.012 -1.755) 6.277 9.428 ( -4.818 1.413 -0.778) 5.081 9.460 ( -4.401 -1.658 -2.156) 5.174 9.906 ( 1.372 2.086 0.906) 2.656 9.915 ( 1.426 1.530 0.245) 2.106 9.987 ( -3.427 -1.844 1.363) 4.124 10.015 ( -4.727 -3.407 -0.244) 5.832 10.370 ( -1.123 2.942 3.262) 4.534 10.416 ( 0.132 -1.232 1.579) 2.007 10.531 ( -4.229 2.557 0.538) 4.971 10.565 ( -3.457 -0.559 -0.535) 3.542 11.171 ( 3.389 2.311 2.284) 4.694 11.216 ( 1.577 0.141 -0.143) 1.589 11.293 ( 2.334 -4.820 1.396) 5.535 11.330 ( 1.100 -6.695 -0.264) 6.790 11.590 ( 4.797 5.902 7.041) 10.364 11.673 ( 7.302 -1.864 8.285) 11.200 11.725 ( 3.815 7.151 0.884) 8.153 11.790 ( 3.982 -2.602 4.300) 6.412 11.831 ( 5.071 3.729 -0.260) 6.300 11.981 ( 2.436 -7.164 -1.442) 7.703 12.090 ( -2.329 6.178 0.991) 6.676 12.189 ( -2.924 -2.895 -3.105) 5.155 12.421 ( 9.871 0.770 2.876) 10.310 12.469 ( 7.418 -3.458 2.756) 8.635 12.688 ( 1.224 0.761 -2.195) 2.626 12.734 ( 1.447 -3.006 -2.682) 4.281 12.864 ( -0.496 4.129 -0.010) 4.159 12.922 ( -0.570 -0.502 -1.521) 1.700 12.959 ( -1.347 1.570 -3.223) 3.830 13.001 ( -3.105 -1.951 -4.206) 5.580 14.120 ( 5.360 1.173 -1.012) 5.579 14.145 ( 5.341 -1.091 -2.033) 5.818 14.504 ( 26.939 -0.556 -2.249) 27.038 14.509 ( 26.029 -1.174 -2.570) 26.182 14.721 ( -5.549 1.636 -0.895) 5.853 14.734 ( -6.444 0.166 -1.223) 6.561 14.865 ( 11.708 0.728 -0.339) 11.735 14.880 ( 12.260 -0.540 -1.255) 12.336 15.955 ( 14.117 2.161 -1.585) 14.369 16.015 ( 12.924 -3.457 -4.589) 14.143 16.275 ( -13.355 2.748 2.006) 13.782 16.318 ( -15.460 -1.389 0.401) 15.528 16.485 ( -4.693 0.991 0.827) 4.867 16.506 ( -4.938 -0.990 -0.371) 5.050 17.006 ( -27.615 1.230 -0.208) 27.643 17.038 ( -27.742 -1.616 -1.485) 27.829 17.707 ( -10.468 0.697 -1.002) 10.539 17.721 ( -10.891 -0.517 -1.667) 11.030 17.940 ( -16.418 0.503 -2.842) 16.670 17.952 ( -16.398 -0.579 -3.390) 16.755 ======================= Grid point 121 (50/60) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 6.509 7.390 4.225) 10.716 2.041 ( -0.210 4.773 1.069) 4.895 2.203 ( 0.802 -10.919 2.229) 11.173 2.262 ( -3.472 -11.181 -0.272) 11.711 2.790 ( 1.574 11.128 0.526) 11.251 2.803 ( 2.095 12.148 -0.740) 12.350 2.872 ( 2.641 2.017 4.325) 5.455 2.919 ( -0.897 -1.769 4.701) 5.102 2.957 ( 4.731 0.452 0.159) 4.756 3.060 ( -3.246 -2.135 0.378) 3.903 3.111 ( 1.467 -5.168 3.209) 6.258 3.133 ( -2.565 -3.744 -0.113) 4.539 3.233 ( 4.632 -2.705 0.983) 5.454 3.291 ( 6.213 -3.675 7.545) 10.442 3.298 ( -2.718 3.952 1.290) 4.967 3.412 ( -4.887 -5.693 3.885) 8.449 3.686 ( 3.914 2.155 -1.737) 4.794 3.748 ( 1.312 -2.801 -1.062) 3.270 3.770 ( -1.909 -1.199 -2.507) 3.371 3.781 ( -0.647 -1.239 -1.609) 2.131 3.970 ( 3.878 10.006 0.980) 10.776 3.986 ( 2.571 9.456 1.435) 9.904 4.161 ( 2.329 -3.460 1.601) 4.468 4.198 ( -2.320 -2.028 5.682) 6.463 4.217 ( 7.737 -0.218 1.460) 7.876 4.322 ( 2.041 -3.208 1.408) 4.055 4.367 ( -4.755 -2.991 -1.127) 5.729 4.414 ( -5.394 -4.757 -2.412) 7.585 4.608 ( 4.525 3.026 -0.564) 5.473 4.680 ( 6.054 -2.722 -0.792) 6.685 4.703 ( -3.290 5.325 -4.254) 7.568 4.790 ( -3.669 -2.249 -5.201) 6.751 4.892 ( 11.765 1.892 0.202) 11.918 4.930 ( 11.668 -0.865 -1.356) 11.778 5.117 ( -6.237 1.987 -1.640) 6.748 5.167 ( -6.815 -2.504 -3.375) 8.007 5.246 ( 4.655 1.628 -1.991) 5.318 5.257 ( 5.565 1.643 -1.664) 6.037 5.416 ( -4.368 -0.912 0.688) 4.514 5.443 ( -5.350 -2.559 -0.465) 5.948 5.530 ( 0.138 3.779 -0.339) 3.797 5.572 ( -2.038 3.358 -2.001) 4.408 5.645 ( -0.153 -5.541 -1.322) 5.699 5.679 ( -1.684 -5.285 -1.773) 5.823 5.971 ( 1.653 10.243 0.394) 10.383 6.024 ( -3.052 9.186 -2.396) 9.972 6.184 ( 1.665 -10.774 1.435) 10.996 6.223 ( -1.848 -10.398 -0.738) 10.587 6.616 ( 2.275 9.951 2.577) 10.528 6.646 ( -0.520 9.792 0.889) 9.846 6.801 ( 1.808 -6.946 3.625) 8.040 6.835 ( -1.319 -7.556 1.975) 7.920 7.230 ( 8.182 2.091 4.011) 9.349 7.264 ( 7.724 -1.194 3.330) 8.495 7.324 ( 2.787 1.243 0.057) 3.052 7.347 ( 4.278 -0.790 -0.432) 4.371 7.469 ( -5.727 0.713 1.154) 5.885 7.474 ( -4.751 0.536 1.932) 5.157 7.535 ( -7.526 1.514 -1.090) 7.754 7.542 ( -7.781 1.011 -0.428) 7.858 8.047 ( 5.770 0.018 1.309) 5.916 8.085 ( 5.931 -3.540 -0.773) 6.951 8.168 ( -5.861 -2.294 2.097) 6.634 8.206 ( -5.561 -6.110 -0.317) 8.267 8.532 ( 5.706 5.273 -2.642) 8.206 8.576 ( 4.860 1.722 -4.609) 6.916 8.624 ( -1.538 4.945 -2.469) 5.737 8.662 ( -2.097 1.857 -4.458) 5.265 9.242 ( 4.254 2.277 2.021) 5.231 9.292 ( 1.272 -0.513 -0.390) 1.426 9.352 ( -1.952 -2.551 0.871) 3.328 9.382 ( -3.213 -3.802 -0.423) 4.996 9.913 ( 0.068 0.165 0.927) 0.944 9.930 ( 0.490 -1.146 -0.099) 1.250 9.936 ( -2.418 -2.080 0.383) 3.212 9.948 ( -1.209 -2.008 -0.065) 2.345 10.366 ( 0.790 6.918 2.105) 7.274 10.398 ( -1.957 5.925 0.704) 6.280 10.486 ( 0.107 -2.938 1.236) 3.189 10.510 ( -1.920 -2.995 0.244) 3.566 11.212 ( 0.990 2.844 0.560) 3.063 11.224 ( -0.307 2.638 -0.196) 2.663 11.320 ( 0.726 -7.432 1.151) 7.555 11.332 ( -0.453 -7.698 0.481) 7.726 11.678 ( 3.906 7.773 5.973) 10.552 11.740 ( -1.724 8.812 3.281) 9.560 11.794 ( 4.669 -3.305 7.535) 9.461 11.847 ( 0.355 -2.749 4.693) 5.450 11.956 ( 6.292 0.673 1.041) 6.413 11.998 ( 0.888 -2.272 2.420) 3.436 12.048 ( -1.960 1.476 0.203) 2.461 12.093 ( -5.680 -1.851 -1.004) 6.058 12.608 ( 7.655 1.049 1.700) 7.911 12.675 ( 8.751 -4.039 -0.104) 9.639 12.702 ( -0.655 0.068 -1.751) 1.871 12.762 ( 0.395 -4.507 -2.576) 5.206 12.847 ( 0.344 4.135 -0.205) 4.155 12.885 ( -2.053 2.977 -1.186) 3.806 12.917 ( -2.520 -0.437 -1.798) 3.126 12.939 ( -3.163 -0.296 -2.651) 4.138 14.249 ( 8.384 0.873 -1.712) 8.601 14.268 ( 7.990 -0.839 -2.303) 8.357 14.472 ( -12.264 0.312 -2.222) 12.467 14.487 ( -12.265 -1.037 -2.678) 12.596 15.012 ( 15.395 1.831 1.471) 15.573 15.045 ( 17.250 -1.015 0.679) 17.293 15.091 ( 7.545 1.828 0.103) 7.764 15.133 ( 8.685 -1.857 -1.126) 8.952 16.094 ( 2.480 0.593 0.555) 2.610 16.108 ( 1.614 -0.746 0.585) 1.871 16.259 ( 11.564 1.880 -2.099) 11.902 16.303 ( 10.393 -1.999 -4.145) 11.366 16.422 ( -11.511 0.764 -0.003) 11.536 16.437 ( -14.472 0.747 -1.164) 14.538 16.447 ( -13.902 -0.416 -1.141) 13.955 16.467 ( -18.033 -0.776 -2.115) 18.173 17.555 ( -2.900 0.456 -2.142) 3.634 17.562 ( -2.932 -0.170 -2.755) 4.027 17.642 ( -10.879 0.314 -3.407) 11.404 17.654 ( -11.062 -0.671 -4.094) 11.815 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 0.000 -13.138) 13.138 1.712 ( 0.000 0.000 13.138) 13.138 2.353 ( 0.000 0.000 -5.885) 5.885 2.353 ( 0.000 0.000 5.885) 5.885 2.358 ( 0.000 0.000 -5.060) 5.060 2.358 ( 0.000 0.000 5.060) 5.060 2.616 ( 0.000 0.000 -13.228) 13.228 2.616 ( 0.000 0.000 13.228) 13.228 2.763 ( 0.000 0.000 -14.483) 14.483 2.763 ( 0.000 0.000 14.483) 14.483 3.063 ( 0.000 0.000 -0.479) 0.479 3.063 ( 0.000 0.000 0.479) 0.479 3.119 ( 0.000 0.000 -11.674) 11.674 3.119 ( 0.000 0.000 11.674) 11.674 3.280 ( 0.000 0.000 -0.165) 0.165 3.280 ( 0.000 0.000 0.165) 0.165 3.413 ( 0.000 0.000 -8.819) 8.819 3.413 ( 0.000 0.000 8.819) 8.819 3.619 ( 0.000 0.000 -0.892) 0.892 3.619 ( 0.000 0.000 0.892) 0.892 3.679 ( 0.000 0.000 -0.736) 0.736 3.679 ( 0.000 0.000 0.736) 0.736 4.174 ( 0.000 0.000 -0.017) 0.017 4.174 ( 0.000 0.000 0.017) 0.017 4.242 ( 0.000 0.000 -6.052) 6.052 4.242 ( 0.000 0.000 6.052) 6.052 4.320 ( 0.000 0.000 -9.510) 9.510 4.320 ( 0.000 0.000 9.510) 9.510 4.338 ( 0.000 0.000 -3.897) 3.897 4.338 ( 0.000 0.000 3.897) 3.897 4.635 ( 0.000 0.000 -0.046) 0.046 4.635 ( 0.000 0.000 0.046) 0.046 4.911 ( 0.000 0.000 -13.525) 13.525 4.911 ( 0.000 0.000 13.525) 13.525 5.017 ( 0.000 0.000 -14.038) 14.038 5.017 ( 0.000 0.000 14.038) 14.038 5.118 ( 0.000 0.000 -5.284) 5.284 5.118 ( 0.000 0.000 5.284) 5.284 5.363 ( 0.000 0.000 -6.789) 6.789 5.363 ( 0.000 0.000 6.789) 6.789 5.512 ( 0.000 0.000 -4.738) 4.738 5.512 ( 0.000 0.000 4.738) 4.738 5.907 ( 0.000 0.000 -4.236) 4.236 5.907 ( 0.000 0.000 4.236) 4.236 6.183 ( 0.000 0.000 -1.272) 1.272 6.183 ( 0.000 0.000 1.272) 1.272 6.264 ( 0.000 0.000 -0.993) 0.993 6.264 ( 0.000 0.000 0.993) 0.993 6.559 ( 0.000 0.000 -3.548) 3.548 6.559 ( 0.000 0.000 3.548) 3.548 6.754 ( 0.000 0.000 -9.537) 9.537 6.754 ( 0.000 0.000 9.537) 9.537 7.022 ( 0.000 0.000 -2.901) 2.901 7.022 ( 0.000 0.000 2.901) 2.901 7.097 ( 0.000 0.000 -1.335) 1.335 7.097 ( 0.000 0.000 1.335) 1.335 7.533 ( 0.000 0.000 -0.903) 0.903 7.533 ( 0.000 0.000 0.903) 0.903 7.736 ( 0.000 0.000 -7.722) 7.722 7.736 ( 0.000 0.000 7.722) 7.722 7.973 ( 0.000 0.000 -1.524) 1.524 7.973 ( 0.000 0.000 1.524) 1.524 8.314 ( 0.000 0.000 -9.410) 9.410 8.314 ( 0.000 0.000 9.410) 9.410 8.388 ( 0.000 0.000 -1.884) 1.884 8.388 ( 0.000 0.000 1.884) 1.884 8.809 ( 0.000 0.000 -4.101) 4.101 8.809 ( 0.000 0.000 4.101) 4.101 9.214 ( 0.000 0.000 -1.182) 1.182 9.214 ( 0.000 0.000 1.182) 1.182 9.527 ( 0.000 0.000 -0.568) 0.568 9.527 ( 0.000 0.000 0.568) 0.568 9.763 ( 0.000 0.000 -3.048) 3.048 9.763 ( 0.000 0.000 3.048) 3.048 10.172 ( 0.000 0.000 -1.077) 1.077 10.172 ( 0.000 0.000 1.077) 1.077 10.583 ( 0.000 0.000 -4.068) 4.068 10.583 ( 0.000 0.000 4.068) 4.068 10.665 ( 0.000 0.000 -2.569) 2.569 10.665 ( 0.000 0.000 2.569) 2.569 10.859 ( 0.000 0.000 -1.975) 1.975 10.859 ( 0.000 0.000 1.975) 1.975 11.096 ( 0.000 0.000 -3.711) 3.711 11.096 ( 0.000 0.000 3.711) 3.711 11.187 ( 0.000 0.000 -0.622) 0.622 11.187 ( 0.000 0.000 0.622) 0.622 11.526 ( 0.000 0.000 -5.684) 5.684 11.526 ( 0.000 0.000 5.684) 5.684 11.834 ( 0.000 0.000 -5.214) 5.214 11.834 ( 0.000 0.000 5.214) 5.214 12.168 ( 0.000 0.000 -5.716) 5.716 12.168 ( 0.000 0.000 5.716) 5.716 12.252 ( 0.000 0.000 -2.026) 2.026 12.252 ( 0.000 0.000 2.026) 2.026 12.736 ( 0.000 0.000 -1.983) 1.983 12.736 ( 0.000 0.000 1.983) 1.983 12.842 ( 0.000 0.000 -0.976) 0.976 12.842 ( 0.000 0.000 0.976) 0.976 13.019 ( 0.000 0.000 -5.084) 5.084 13.019 ( 0.000 0.000 5.084) 5.084 13.476 ( 0.000 0.000 -1.098) 1.098 13.476 ( 0.000 0.000 1.098) 1.098 13.624 ( 0.000 0.000 -0.810) 0.810 13.624 ( 0.000 0.000 0.810) 0.810 14.475 ( 0.000 0.000 -0.707) 0.707 14.475 ( 0.000 0.000 0.707) 0.707 14.744 ( 0.000 0.000 -0.834) 0.834 14.744 ( 0.000 0.000 0.834) 0.834 15.749 ( 0.000 0.000 -4.626) 4.626 15.749 ( 0.000 0.000 4.626) 4.626 16.937 ( 0.000 0.000 -6.651) 6.651 16.937 ( 0.000 0.000 6.651) 6.651 17.018 ( 0.000 0.000 -3.431) 3.431 17.018 ( 0.000 0.000 3.431) 3.431 18.004 ( 0.000 0.000 -1.334) 1.334 18.004 ( 0.000 0.000 1.334) 1.334 18.156 ( 0.000 0.000 -1.430) 1.430 18.156 ( 0.000 0.000 1.430) 1.430 18.563 ( 0.000 0.000 -0.682) 0.682 18.563 ( 0.000 0.000 0.682) 0.682 ======================= Grid point 137 (52/60) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.261 0.000 -12.782) 13.192 1.748 ( 3.261 0.000 12.782) 13.192 2.351 ( 0.176 0.000 -5.754) 5.757 2.351 ( 0.176 0.000 5.754) 5.757 2.464 ( 8.336 0.000 -5.576) 10.028 2.464 ( 8.336 0.000 5.576) 10.028 2.623 ( 1.927 0.000 -13.288) 13.427 2.623 ( 1.927 0.000 13.288) 13.427 2.814 ( 4.156 0.000 -14.648) 15.226 2.814 ( 4.156 0.000 14.648) 15.226 3.076 ( 1.200 0.000 -0.837) 1.463 3.076 ( 1.200 0.000 0.837) 1.463 3.125 ( 0.294 0.000 -10.073) 10.077 3.125 ( 0.294 0.000 10.073) 10.077 3.326 ( 4.793 0.000 -2.604) 5.454 3.326 ( 4.793 0.000 2.604) 5.454 3.460 ( 3.399 0.000 -8.827) 9.459 3.460 ( 3.399 0.000 8.827) 9.459 3.650 ( 2.198 0.000 -1.932) 2.926 3.650 ( 2.198 0.000 1.932) 2.926 3.715 ( 4.721 0.000 -3.249) 5.731 3.715 ( 4.721 0.000 3.249) 5.731 4.148 ( -2.715 0.000 -3.388) 4.342 4.148 ( -2.715 0.000 3.388) 4.342 4.238 ( -0.755 0.000 -6.820) 6.862 4.238 ( -0.755 0.000 6.820) 6.862 4.351 ( 1.750 0.000 -8.988) 9.157 4.351 ( 1.750 0.000 8.988) 9.157 4.353 ( 3.261 0.000 -7.064) 7.781 4.353 ( 3.261 0.000 7.064) 7.781 4.619 ( -1.035 0.000 -0.296) 1.076 4.619 ( -1.035 0.000 0.296) 1.076 4.856 ( -4.263 0.000 -10.658) 11.479 4.856 ( -4.263 0.000 10.658) 11.479 5.060 ( 3.347 0.000 -13.078) 13.499 5.060 ( 3.347 0.000 13.078) 13.499 5.138 ( 1.111 0.000 -3.066) 3.261 5.138 ( 1.111 0.000 3.066) 3.261 5.365 ( 0.884 0.000 -8.885) 8.929 5.365 ( 0.884 0.000 8.885) 8.929 5.525 ( 0.888 0.000 -4.475) 4.562 5.525 ( 0.888 0.000 4.475) 4.562 5.893 ( -1.136 0.000 -5.107) 5.232 5.893 ( -1.136 0.000 5.107) 5.232 6.224 ( 3.715 0.000 -1.376) 3.961 6.224 ( 3.715 0.000 1.376) 3.961 6.231 ( -3.830 0.000 -1.295) 4.043 6.231 ( -3.830 0.000 1.295) 4.043 6.513 ( -3.932 0.000 -2.019) 4.420 6.513 ( -3.932 0.000 2.019) 4.420 6.776 ( 2.093 0.000 -8.466) 8.721 6.776 ( 2.093 0.000 8.466) 8.721 6.993 ( -0.743 0.000 -8.337) 8.370 6.993 ( -0.743 0.000 8.337) 8.370 7.108 ( 1.099 0.000 -1.604) 1.945 7.108 ( 1.099 0.000 1.604) 1.945 7.643 ( 7.958 0.000 -1.022) 8.023 7.643 ( 7.958 0.000 1.022) 8.023 7.737 ( 0.033 0.000 -7.941) 7.941 7.737 ( 0.033 0.000 7.941) 7.941 7.946 ( -2.353 0.000 -1.309) 2.692 7.946 ( -2.353 0.000 1.309) 2.692 8.270 ( -2.719 0.000 -7.990) 8.440 8.270 ( -2.719 0.000 7.990) 8.440 8.408 ( 1.236 0.000 -3.768) 3.965 8.408 ( 1.236 0.000 3.768) 3.965 8.779 ( -3.373 0.000 -2.886) 4.439 8.779 ( -3.373 0.000 2.886) 4.439 9.167 ( -3.007 0.000 -1.734) 3.471 9.167 ( -3.007 0.000 1.734) 3.471 9.516 ( -1.205 0.000 -0.959) 1.540 9.516 ( -1.205 0.000 0.959) 1.540 9.779 ( 1.702 0.000 -2.542) 3.059 9.779 ( 1.702 0.000 2.542) 3.059 10.155 ( -1.576 0.000 -1.281) 2.031 10.155 ( -1.576 0.000 1.281) 2.031 10.576 ( -0.857 0.000 -4.202) 4.288 10.576 ( -0.857 0.000 4.202) 4.288 10.627 ( -3.623 0.000 -2.693) 4.514 10.627 ( -3.623 0.000 2.693) 4.514 10.970 ( 8.744 0.000 -2.052) 8.982 10.970 ( 8.744 0.000 2.052) 8.982 11.157 ( 6.144 0.000 -2.693) 6.708 11.157 ( 6.144 0.000 2.693) 6.708 11.282 ( 8.275 0.000 -1.069) 8.344 11.282 ( 8.275 0.000 1.069) 8.344 11.548 ( 2.251 0.000 -5.512) 5.954 11.548 ( 2.251 0.000 5.512) 5.954 11.838 ( 0.758 0.000 -5.070) 5.126 11.838 ( 0.758 0.000 5.070) 5.126 12.210 ( 3.852 0.000 -6.507) 7.562 12.210 ( 3.852 0.000 6.507) 7.562 12.229 ( -2.340 0.000 -3.786) 4.451 12.229 ( -2.340 0.000 3.786) 4.451 12.727 ( -0.539 0.000 -1.995) 2.067 12.727 ( -0.539 0.000 1.995) 2.067 12.841 ( -0.089 0.000 -2.031) 2.033 12.841 ( -0.089 0.000 2.031) 2.033 13.027 ( 0.286 0.000 -4.474) 4.483 13.027 ( 0.286 0.000 4.474) 4.483 13.584 ( 10.985 0.000 -0.693) 11.007 13.584 ( 10.985 0.000 0.693) 11.007 13.719 ( 8.863 0.000 -0.443) 8.874 13.719 ( 8.863 0.000 0.443) 8.874 14.516 ( 4.081 0.000 -0.693) 4.140 14.516 ( 4.081 0.000 0.693) 4.140 14.769 ( 2.088 0.000 -1.155) 2.386 14.769 ( 2.088 0.000 1.155) 2.386 15.742 ( -0.201 0.000 -4.351) 4.356 15.742 ( -0.201 0.000 4.351) 4.356 16.849 ( -8.395 0.000 -6.027) 10.334 16.849 ( -8.395 0.000 6.027) 10.334 16.912 ( -9.697 0.000 -2.870) 10.113 16.912 ( -9.697 0.000 2.870) 10.113 17.883 ( -11.695 0.000 -1.487) 11.789 17.883 ( -11.695 0.000 1.487) 11.789 18.093 ( -5.994 0.000 -1.385) 6.152 18.093 ( -5.994 0.000 1.385) 6.152 18.479 ( -8.111 0.000 -0.689) 8.140 18.479 ( -8.111 0.000 0.689) 8.140 ======================= Grid point 139 (53/60) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.423 0.000 -11.336) 12.168 1.830 ( 4.423 0.000 11.336) 12.168 2.375 ( 2.321 0.000 -5.460) 5.932 2.375 ( 2.321 0.000 5.460) 5.932 2.533 ( -0.694 0.000 -8.430) 8.459 2.533 ( -0.694 0.000 8.430) 8.459 2.812 ( 14.491 0.000 -6.441) 15.858 2.812 ( 14.491 0.000 6.441) 15.858 2.889 ( 2.385 0.000 -10.305) 10.577 2.889 ( 2.385 0.000 10.305) 10.577 3.112 ( 2.388 0.000 -1.738) 2.954 3.112 ( 2.388 0.000 1.738) 2.954 3.128 ( 0.015 0.000 -8.177) 8.177 3.128 ( 0.015 0.000 8.177) 8.177 3.471 ( 8.845 0.000 -2.237) 9.124 3.471 ( 8.845 0.000 2.237) 9.124 3.499 ( 0.116 0.000 -9.018) 9.019 3.499 ( 0.116 0.000 9.018) 9.019 3.684 ( 1.273 0.000 -3.622) 3.840 3.684 ( 1.273 0.000 3.622) 3.840 3.893 ( 10.805 0.000 -6.380) 12.548 3.893 ( 10.805 0.000 6.380) 12.548 4.067 ( -4.281 0.000 -3.859) 5.763 4.067 ( -4.281 0.000 3.859) 5.763 4.217 ( -0.925 0.000 -9.336) 9.381 4.217 ( -0.925 0.000 9.336) 9.381 4.423 ( 2.360 0.000 -5.094) 5.615 4.423 ( 2.360 0.000 5.094) 5.615 4.429 ( 6.078 0.000 -8.566) 10.503 4.429 ( 6.078 0.000 8.566) 10.503 4.629 ( 2.883 0.000 -2.847) 4.052 4.629 ( 2.883 0.000 2.847) 4.052 4.767 ( -3.953 0.000 -6.028) 7.209 4.767 ( -3.953 0.000 6.028) 7.209 5.125 ( -2.310 0.000 -2.455) 3.371 5.125 ( -2.310 0.000 2.455) 3.371 5.136 ( 3.824 0.000 -9.852) 10.569 5.136 ( 3.824 0.000 9.852) 10.569 5.429 ( 5.177 0.000 -8.854) 10.257 5.429 ( 5.177 0.000 8.854) 10.257 5.529 ( -0.901 0.000 -3.156) 3.282 5.529 ( -0.901 0.000 3.156) 3.282 5.867 ( -1.331 0.000 -6.218) 6.359 5.867 ( -1.331 0.000 6.218) 6.359 6.085 ( -10.151 0.000 -0.302) 10.156 6.085 ( -10.151 0.000 0.302) 10.156 6.316 ( 4.814 0.000 -1.657) 5.091 6.316 ( 4.814 0.000 1.657) 5.091 6.447 ( -1.940 0.000 -2.359) 3.054 6.447 ( -1.940 0.000 2.359) 3.054 6.831 ( 3.120 0.000 -6.053) 6.810 6.831 ( 3.120 0.000 6.053) 6.810 7.028 ( 3.939 0.000 -8.056) 8.967 7.028 ( 3.939 0.000 8.056) 8.967 7.145 ( 2.609 0.000 -2.240) 3.438 7.145 ( 2.609 0.000 2.240) 3.438 7.721 ( -2.449 0.000 -6.519) 6.964 7.721 ( -2.449 0.000 6.519) 6.964 7.742 ( 0.089 0.000 -1.278) 1.281 7.742 ( 0.089 0.000 1.278) 1.281 7.905 ( -0.455 0.000 -1.806) 1.863 7.905 ( -0.455 0.000 1.806) 1.863 8.268 ( 3.452 0.000 -4.192) 5.431 8.268 ( 3.452 0.000 4.192) 5.431 8.436 ( 1.772 0.000 -2.396) 2.980 8.436 ( 1.772 0.000 2.396) 2.980 8.661 ( -7.839 0.000 -1.244) 7.937 8.661 ( -7.839 0.000 1.244) 7.937 9.147 ( 1.352 0.000 -3.418) 3.676 9.147 ( 1.352 0.000 3.418) 3.676 9.478 ( -2.285 0.000 -1.644) 2.815 9.478 ( -2.285 0.000 1.644) 2.815 9.831 ( 3.234 0.000 -1.470) 3.552 9.831 ( 3.234 0.000 1.470) 3.552 10.109 ( -2.980 0.000 -1.111) 3.180 10.109 ( -2.980 0.000 1.111) 3.180 10.527 ( -5.912 0.000 -2.932) 6.599 10.527 ( -5.912 0.000 2.932) 6.599 10.551 ( -1.295 0.000 -3.584) 3.810 10.551 ( -1.295 0.000 3.584) 3.810 11.120 ( 5.156 0.000 -2.742) 5.840 11.120 ( 5.156 0.000 2.742) 5.840 11.332 ( 9.200 0.000 -3.401) 9.809 11.332 ( 9.200 0.000 3.401) 9.809 11.449 ( 6.135 0.000 -0.766) 6.183 11.449 ( 6.135 0.000 0.766) 6.183 11.634 ( 6.751 0.000 -4.448) 8.085 11.634 ( 6.751 0.000 4.448) 8.085 11.885 ( 4.230 0.000 -5.770) 7.155 11.885 ( 4.230 0.000 5.770) 7.155 12.157 ( -4.426 0.000 -5.670) 7.193 12.157 ( -4.426 0.000 5.670) 7.193 12.316 ( 6.635 0.000 -6.626) 9.377 12.316 ( 6.635 0.000 6.626) 9.377 12.723 ( 0.097 0.000 -1.127) 1.131 12.723 ( 0.097 0.000 1.127) 1.131 12.841 ( 0.174 0.000 -3.620) 3.624 12.841 ( 0.174 0.000 3.620) 3.624 13.011 ( -2.139 0.000 -3.770) 4.334 13.011 ( -2.139 0.000 3.770) 4.334 13.935 ( 23.290 0.000 -0.424) 23.294 13.935 ( 23.290 0.000 0.424) 23.294 13.938 ( 10.934 0.000 -1.000) 10.980 13.938 ( 10.934 0.000 1.000) 10.980 14.646 ( 8.746 0.000 -0.492) 8.759 14.646 ( 8.746 0.000 0.492) 8.759 14.797 ( -0.508 0.000 -1.521) 1.603 14.797 ( -0.508 0.000 1.521) 1.603 15.776 ( 4.633 0.000 -3.730) 5.948 15.776 ( 4.633 0.000 3.730) 5.948 16.612 ( -14.298 0.000 -4.467) 14.980 16.612 ( -14.298 0.000 4.467) 14.980 16.676 ( -11.727 0.000 -1.785) 11.862 16.676 ( -11.727 0.000 1.785) 11.862 17.538 ( -21.757 0.000 -1.741) 21.827 17.538 ( -21.757 0.000 1.741) 21.827 17.923 ( -10.247 0.000 -1.158) 10.312 17.923 ( -10.247 0.000 1.158) 10.312 18.244 ( -14.470 0.000 -0.686) 14.486 18.244 ( -14.470 0.000 0.686) 14.486 ======================= Grid point 141 (54/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 3.743 0.000 -8.252) 9.061 1.916 ( 3.743 0.000 8.252) 9.061 2.441 ( 3.744 0.000 -4.423) 5.795 2.441 ( 3.744 0.000 4.423) 5.795 2.507 ( -1.378 0.000 -6.655) 6.796 2.507 ( -1.378 0.000 6.655) 6.796 2.908 ( 0.056 0.000 -4.419) 4.420 2.908 ( 0.056 0.000 4.419) 4.420 3.087 ( 10.342 0.000 -6.206) 12.061 3.087 ( 10.342 0.000 6.206) 12.061 3.113 ( -1.887 0.000 -8.504) 8.711 3.113 ( -1.887 0.000 8.504) 8.711 3.180 ( 4.828 0.000 -0.751) 4.886 3.180 ( 4.828 0.000 0.751) 4.886 3.479 ( -1.538 0.000 -9.109) 9.238 3.479 ( -1.538 0.000 9.109) 9.238 3.664 ( 9.610 0.000 -1.202) 9.685 3.664 ( 9.610 0.000 1.202) 9.685 3.702 ( 0.438 0.000 -5.381) 5.398 3.702 ( 0.438 0.000 5.381) 5.398 3.910 ( -6.024 0.000 -1.784) 6.282 3.910 ( -6.024 0.000 1.784) 6.282 4.178 ( 11.463 0.000 -6.372) 13.115 4.178 ( 11.463 0.000 6.372) 13.115 4.210 ( 0.220 0.000 -5.141) 5.146 4.210 ( 0.220 0.000 5.141) 5.146 4.435 ( -0.799 0.000 -5.753) 5.808 4.435 ( -0.799 0.000 5.753) 5.809 4.577 ( 6.067 0.000 -5.525) 8.205 4.577 ( 6.067 0.000 5.525) 8.206 4.707 ( 2.483 0.000 -6.487) 6.946 4.707 ( 2.483 0.000 6.487) 6.946 4.721 ( 1.285 0.000 -4.118) 4.313 4.721 ( 1.285 0.000 4.118) 4.313 5.101 ( 2.142 0.000 -2.105) 3.003 5.101 ( 2.142 0.000 2.105) 3.003 5.191 ( 0.488 0.000 -6.102) 6.122 5.191 ( 0.488 0.000 6.102) 6.122 5.494 ( -1.640 0.000 -2.609) 3.082 5.494 ( -1.640 0.000 2.609) 3.082 5.531 ( 3.219 0.000 -5.531) 6.399 5.531 ( 3.219 0.000 5.531) 6.399 5.837 ( -1.707 0.000 -6.210) 6.441 5.837 ( -1.707 0.000 6.210) 6.441 5.868 ( -9.508 0.000 -1.042) 9.565 5.868 ( -9.508 0.000 1.042) 9.565 6.403 ( 3.483 0.000 -1.434) 3.766 6.403 ( 3.483 0.000 1.434) 3.766 6.422 ( -0.845 0.000 -2.552) 2.688 6.422 ( -0.845 0.000 2.552) 2.688 6.893 ( 2.701 0.000 -3.638) 4.531 6.893 ( 2.701 0.000 3.638) 4.531 7.138 ( 6.532 0.000 -5.812) 8.743 7.138 ( 6.532 0.000 5.812) 8.743 7.216 ( 4.476 0.000 -2.624) 5.188 7.216 ( 4.476 0.000 2.624) 5.188 7.623 ( -6.580 0.000 -2.331) 6.981 7.623 ( -6.580 0.000 2.331) 6.981 7.660 ( -6.858 0.000 -1.878) 7.111 7.660 ( -6.858 0.000 1.878) 7.111 7.957 ( 5.248 0.000 -1.761) 5.536 7.957 ( 5.248 0.000 1.761) 5.536 8.372 ( 4.943 0.000 -1.459) 5.154 8.372 ( 4.943 0.000 1.459) 5.154 8.481 ( -9.398 0.000 -2.469) 9.717 8.481 ( -9.398 0.000 2.469) 9.717 8.488 ( 3.323 0.000 -2.898) 4.409 8.488 ( 3.323 0.000 2.898) 4.409 9.205 ( 3.652 0.000 -3.792) 5.264 9.205 ( 3.652 0.000 3.792) 5.264 9.435 ( -1.640 0.000 -1.945) 2.544 9.435 ( -1.640 0.000 1.945) 2.544 9.899 ( 3.068 0.000 -0.442) 3.100 9.899 ( 3.068 0.000 0.442) 3.100 10.035 ( -3.994 0.000 -1.274) 4.192 10.035 ( -3.994 0.000 1.274) 4.192 10.402 ( -5.874 0.000 -2.846) 6.527 10.402 ( -5.874 0.000 2.846) 6.527 10.533 ( -0.388 0.000 -2.097) 2.133 10.533 ( -0.388 0.000 2.097) 2.133 11.184 ( 1.395 0.000 -1.378) 1.961 11.184 ( 1.395 0.000 1.378) 1.961 11.477 ( 4.942 0.000 -3.372) 5.983 11.477 ( 4.942 0.000 3.372) 5.983 11.519 ( 1.476 0.000 -1.025) 1.797 11.519 ( 1.476 0.000 1.025) 1.797 11.795 ( 7.644 0.000 -3.227) 8.297 11.795 ( 7.644 0.000 3.227) 8.297 11.991 ( 4.960 0.000 -6.306) 8.023 11.991 ( 4.960 0.000 6.306) 8.023 12.068 ( -3.866 0.000 -6.218) 7.322 12.068 ( -3.866 0.000 6.218) 7.322 12.490 ( 10.193 0.000 -3.644) 10.825 12.490 ( 10.193 0.000 3.644) 10.825 12.729 ( 0.609 0.000 -2.370) 2.447 12.729 ( 0.609 0.000 2.370) 2.447 12.849 ( 0.554 0.000 -4.767) 4.799 12.849 ( 0.554 0.000 4.767) 4.799 12.942 ( -4.284 0.000 -3.734) 5.683 12.942 ( -4.284 0.000 3.734) 5.683 14.114 ( 6.157 0.000 -1.449) 6.326 14.114 ( 6.157 0.000 1.449) 6.326 14.497 ( 30.053 0.000 -0.395) 30.056 14.497 ( 30.053 0.000 0.396) 30.056 14.704 ( -9.106 0.000 -1.125) 9.175 14.704 ( -9.106 0.000 1.125) 9.175 14.865 ( 12.270 0.000 -0.651) 12.287 14.865 ( 12.270 0.000 0.651) 12.287 15.961 ( 13.267 0.000 -3.199) 13.648 15.961 ( 13.267 0.000 3.199) 13.648 16.301 ( -14.896 0.000 -2.652) 15.130 16.301 ( -14.896 0.000 2.652) 15.130 16.499 ( -4.929 0.000 -1.104) 5.051 16.499 ( -4.929 0.000 1.104) 5.051 17.018 ( -28.524 0.000 -1.815) 28.582 17.018 ( -28.524 0.000 1.815) 28.582 17.700 ( -10.776 0.000 -0.721) 10.801 17.700 ( -10.776 0.000 0.721) 10.801 17.914 ( -16.931 0.000 -0.670) 16.944 17.914 ( -16.931 0.000 0.670) 16.944 ======================= Grid point 143 (55/60) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.558 0.000 -3.128) 3.494 1.972 ( 1.558 0.000 3.128) 3.494 2.486 ( -0.564 0.000 -2.481) 2.545 2.486 ( -0.564 0.000 2.481) 2.545 2.505 ( 1.957 0.000 -1.937) 2.754 2.505 ( 1.957 0.000 1.937) 2.754 2.911 ( 0.300 0.000 -1.931) 1.954 2.911 ( 0.300 0.000 1.931) 1.954 3.061 ( -2.215 0.000 -4.107) 4.666 3.061 ( -2.215 0.000 4.107) 4.666 3.206 ( 2.957 0.000 -5.073) 5.872 3.206 ( 2.957 0.000 5.073) 5.872 3.277 ( 1.948 0.000 -2.147) 2.899 3.277 ( 1.948 0.000 2.147) 2.899 3.471 ( 1.172 0.000 -5.460) 5.584 3.471 ( 1.172 0.000 5.460) 5.584 3.699 ( -0.661 0.000 -5.468) 5.507 3.699 ( -0.661 0.000 5.468) 5.507 3.804 ( -3.213 0.000 -1.964) 3.766 3.804 ( -3.213 0.000 1.964) 3.766 3.831 ( 5.444 0.000 -0.570) 5.473 3.831 ( 5.444 0.000 0.570) 5.473 4.219 ( 0.462 0.000 -0.592) 0.751 4.219 ( 0.462 0.000 0.592) 0.751 4.371 ( 6.343 0.000 -4.291) 7.658 4.371 ( 6.343 0.000 4.291) 7.658 4.400 ( -2.045 0.000 -3.681) 4.211 4.400 ( -2.045 0.000 3.681) 4.211 4.585 ( -2.198 0.000 -1.248) 2.528 4.585 ( -2.198 0.000 1.248) 2.528 4.707 ( -0.931 0.000 -2.621) 2.781 4.707 ( -0.931 0.000 2.621) 2.781 4.876 ( 9.853 0.000 -1.529) 9.971 4.876 ( 9.853 0.000 1.529) 9.971 5.122 ( -6.536 0.000 -2.627) 7.044 5.122 ( -6.536 0.000 2.627) 7.044 5.234 ( 8.887 0.000 -0.336) 8.894 5.234 ( 8.887 0.000 0.336) 8.894 5.480 ( -7.567 0.000 -1.767) 7.771 5.480 ( -7.567 0.000 1.767) 7.771 5.490 ( 0.703 0.000 -0.830) 1.088 5.490 ( 0.703 0.000 0.830) 1.088 5.771 ( -0.482 0.000 -0.543) 0.726 5.771 ( -0.482 0.000 0.543) 0.726 5.803 ( -1.264 0.000 -3.013) 3.267 5.803 ( -1.264 0.000 3.013) 3.267 6.408 ( -0.453 0.000 -1.148) 1.234 6.408 ( -0.453 0.000 1.148) 1.234 6.451 ( 1.185 0.000 -0.558) 1.310 6.451 ( 1.185 0.000 0.558) 1.310 6.933 ( 1.051 0.000 -1.287) 1.662 6.933 ( 1.051 0.000 1.287) 1.662 7.280 ( 6.562 0.000 -3.146) 7.277 7.280 ( 6.562 0.000 3.146) 7.277 7.326 ( 5.988 0.000 -1.967) 6.303 7.326 ( 5.988 0.000 1.967) 6.303 7.478 ( -7.000 0.000 -1.197) 7.101 7.478 ( -7.000 0.000 1.197) 7.101 7.507 ( -6.957 0.000 -1.822) 7.191 7.507 ( -6.956 0.000 1.822) 7.191 8.100 ( 8.370 0.000 -2.075) 8.623 8.100 ( 8.370 0.000 2.075) 8.623 8.287 ( -9.513 0.000 -2.644) 9.874 8.287 ( -9.513 0.000 2.644) 9.874 8.437 ( 1.475 0.000 -1.199) 1.901 8.437 ( 1.475 0.000 1.199) 1.901 8.551 ( 1.996 0.000 -1.318) 2.392 8.551 ( 1.996 0.000 1.318) 2.392 9.270 ( 2.051 0.000 -1.782) 2.716 9.270 ( 2.051 0.000 1.782) 2.716 9.416 ( -0.332 0.000 -1.006) 1.060 9.416 ( -0.332 0.000 1.006) 1.060 9.945 ( 1.196 0.000 -0.221) 1.216 9.945 ( 1.196 0.000 0.221) 1.216 9.966 ( -2.173 0.000 -0.832) 2.327 9.966 ( -2.173 0.000 0.832) 2.327 10.310 ( -2.559 0.000 -1.378) 2.906 10.310 ( -2.559 0.000 1.378) 2.906 10.532 ( 0.102 0.000 -0.631) 0.640 10.532 ( 0.102 0.000 0.631) 0.640 11.193 ( -0.099 0.000 -0.340) 0.354 11.193 ( -0.099 0.000 0.340) 0.354 11.531 ( 0.057 0.000 -0.586) 0.588 11.531 ( 0.057 0.000 0.586) 0.588 11.543 ( 1.647 0.000 -1.411) 2.169 11.543 ( 1.647 0.000 1.411) 2.169 11.917 ( 4.060 0.000 -3.203) 5.171 11.917 ( 4.060 0.000 3.203) 5.171 12.005 ( -2.357 0.000 -4.692) 5.251 12.005 ( -2.357 0.000 4.692) 5.251 12.058 ( 1.555 0.000 -2.770) 3.177 12.058 ( 1.555 0.000 2.770) 3.177 12.682 ( 6.627 0.000 -2.470) 7.072 12.682 ( 6.627 0.000 2.470) 7.072 12.753 ( 1.618 0.000 -2.714) 3.159 12.753 ( 1.618 0.000 2.714) 3.159 12.855 ( -0.214 0.000 -3.996) 4.002 12.855 ( -0.214 0.000 3.996) 4.002 12.855 ( -3.529 0.000 -3.026) 4.648 12.855 ( -3.529 0.000 3.026) 4.648 14.235 ( 7.179 0.000 -1.195) 7.277 14.235 ( 7.179 0.000 1.195) 7.277 14.462 ( -12.508 0.000 -0.944) 12.543 14.462 ( -12.508 0.000 0.944) 12.543 15.022 ( 15.399 0.000 -1.579) 15.480 15.022 ( 15.399 0.000 1.579) 15.480 15.118 ( 11.318 0.000 -2.082) 11.508 15.118 ( 11.318 0.000 2.082) 11.508 16.104 ( 0.117 0.000 -1.180) 1.186 16.104 ( 0.117 0.000 1.180) 1.186 16.254 ( 13.029 0.000 -2.229) 13.219 16.254 ( 13.029 0.000 2.229) 13.219 16.427 ( -26.869 0.000 -1.575) 26.915 16.427 ( -26.869 0.000 1.575) 26.915 16.435 ( -3.565 0.000 -1.225) 3.769 16.435 ( -3.565 0.000 1.225) 3.769 17.534 ( -3.879 0.000 -0.238) 3.886 17.534 ( -3.879 0.000 0.238) 3.886 17.612 ( -10.660 0.000 -0.528) 10.673 17.612 ( -10.660 0.000 0.528) 10.673 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 -1.003 -6.135) 6.217 1.695 ( 0.000 -1.003 6.135) 6.217 2.301 ( 0.000 -1.483 -0.625) 1.609 2.301 ( 0.000 -1.483 0.625) 1.609 2.421 ( 0.000 2.161 -0.127) 2.165 2.421 ( 0.000 2.161 0.127) 2.165 2.700 ( 0.000 5.773 -6.165) 8.446 2.700 ( 0.000 5.773 6.165) 8.446 2.776 ( 0.000 2.645 -11.726) 12.021 2.776 ( 0.000 2.645 11.726) 12.021 2.943 ( 0.000 -8.961 -3.611) 9.661 2.943 ( 0.000 -8.961 3.611) 9.661 3.030 ( 0.000 -5.354 -7.248) 9.011 3.030 ( 0.000 -5.354 7.248) 9.011 3.356 ( 0.000 7.604 -0.521) 7.622 3.356 ( 0.000 7.604 0.521) 7.622 3.533 ( 0.000 -1.434 -1.338) 1.961 3.533 ( 0.000 -1.434 1.338) 1.961 3.611 ( 0.000 4.485 -5.605) 7.178 3.611 ( 0.000 4.485 5.605) 7.178 3.664 ( 0.000 -0.245 -0.706) 0.747 3.664 ( 0.000 -0.245 0.706) 0.747 4.027 ( 0.000 -7.335 -1.716) 7.533 4.027 ( 0.000 -7.335 1.716) 7.533 4.228 ( 0.000 -1.208 -0.063) 1.209 4.228 ( 0.000 -1.208 0.063) 1.209 4.339 ( 0.000 0.100 -0.412) 0.424 4.339 ( 0.000 0.100 0.412) 0.424 4.508 ( 0.000 11.820 -6.151) 13.324 4.508 ( 0.000 11.820 6.151) 13.324 4.618 ( 0.000 -0.845 -0.003) 0.845 4.618 ( 0.000 -0.845 0.003) 0.845 4.787 ( 0.000 -10.592 -7.977) 13.260 4.787 ( 0.000 -10.592 7.977) 13.260 4.982 ( 0.000 0.525 -4.094) 4.127 4.982 ( 0.000 0.525 4.094) 4.127 5.247 ( 0.000 5.813 -0.054) 5.813 5.247 ( 0.000 5.813 0.054) 5.813 5.346 ( 0.000 -1.236 -4.447) 4.615 5.346 ( 0.000 -1.236 4.447) 4.615 5.509 ( 0.000 -0.375 -2.560) 2.587 5.509 ( 0.000 -0.375 2.560) 2.587 5.875 ( 0.000 -1.834 -2.338) 2.971 5.875 ( 0.000 -1.834 2.338) 2.971 6.180 ( 0.000 -0.137 -0.667) 0.681 6.180 ( 0.000 -0.137 0.667) 0.681 6.336 ( 0.000 5.187 -0.014) 5.187 6.336 ( 0.000 5.187 0.014) 5.187 6.509 ( 0.000 -4.011 -2.431) 4.691 6.509 ( 0.000 -4.011 2.431) 4.691 6.781 ( 0.000 1.873 -5.998) 6.284 6.781 ( 0.000 1.873 5.998) 6.284 6.977 ( 0.000 -2.918 -3.197) 4.329 6.977 ( 0.000 -2.918 3.197) 4.329 7.099 ( 0.000 0.064 -0.480) 0.485 7.099 ( 0.000 0.064 0.480) 0.485 7.485 ( 0.000 -1.957 -0.809) 2.117 7.485 ( 0.000 -1.957 0.809) 2.117 7.860 ( 0.000 7.346 -3.592) 8.177 7.860 ( 0.000 7.346 3.592) 8.177 7.966 ( 0.000 -0.545 -1.487) 1.584 7.966 ( 0.000 -0.545 1.487) 1.584 8.282 ( 0.000 -2.649 -5.693) 6.279 8.282 ( 0.000 -2.649 5.693) 6.279 8.383 ( 0.000 -0.257 -0.944) 0.978 8.383 ( 0.000 -0.257 0.944) 0.978 8.849 ( 0.000 4.169 -3.596) 5.505 8.849 ( 0.000 4.169 3.596) 5.505 9.017 ( 0.000 -10.999 -2.402) 11.258 9.017 ( 0.000 -10.999 2.402) 11.258 9.689 ( 0.000 3.862 -1.185) 4.040 9.689 ( 0.000 3.862 1.185) 4.040 9.786 ( 0.000 5.541 -1.159) 5.661 9.786 ( 0.000 5.541 1.159) 5.661 10.175 ( 0.000 -0.627 -0.706) 0.944 10.175 ( 0.000 -0.627 0.706) 0.944 10.498 ( 0.000 -3.927 -1.281) 4.131 10.498 ( 0.000 -3.927 1.281) 4.131 10.724 ( 0.000 2.289 -0.456) 2.334 10.724 ( 0.000 2.289 0.456) 2.334 10.863 ( 0.000 0.332 -1.157) 1.203 10.863 ( 0.000 0.332 1.157) 1.203 11.029 ( 0.000 -3.235 -1.745) 3.676 11.029 ( 0.000 -3.235 1.745) 3.676 11.246 ( 0.000 2.643 -0.161) 2.648 11.246 ( 0.000 2.643 0.161) 2.648 11.524 ( 0.000 -0.146 -3.127) 3.130 11.524 ( 0.000 -0.146 3.127) 3.130 11.843 ( 0.000 0.693 -3.229) 3.302 11.843 ( 0.000 0.693 3.229) 3.302 12.055 ( 0.000 -4.451 -2.703) 5.208 12.055 ( 0.000 -4.451 2.703) 5.208 12.406 ( 0.000 8.203 -2.447) 8.560 12.406 ( 0.000 8.203 2.447) 8.560 12.658 ( 0.000 -5.766 -0.151) 5.767 12.658 ( 0.000 -5.766 0.151) 5.767 12.869 ( 0.000 1.395 -1.368) 1.954 12.869 ( 0.000 1.395 1.368) 1.954 12.988 ( 0.000 -1.875 -3.051) 3.581 12.988 ( 0.000 -1.875 3.051) 3.581 13.476 ( 0.000 0.023 -0.560) 0.561 13.476 ( 0.000 0.023 0.560) 0.561 13.637 ( 0.000 0.759 -0.368) 0.843 13.637 ( 0.000 0.759 0.368) 0.843 14.474 ( 0.000 -0.046 -0.343) 0.347 14.474 ( 0.000 -0.046 0.343) 0.347 14.759 ( 0.000 0.931 -0.406) 1.016 14.759 ( 0.000 0.931 0.406) 1.016 15.738 ( 0.000 -0.670 -2.331) 2.425 15.738 ( 0.000 -0.670 2.331) 2.425 16.854 ( 0.000 -3.221 -1.631) 3.610 16.854 ( 0.000 -3.221 1.631) 3.610 17.113 ( 0.000 3.977 -0.025) 3.977 17.113 ( 0.000 3.977 0.025) 3.977 17.966 ( 0.000 -2.064 -0.729) 2.189 17.966 ( 0.000 -2.064 0.729) 2.189 18.181 ( 0.000 1.271 -0.699) 1.451 18.181 ( 0.000 1.271 0.699) 1.451 18.563 ( 0.000 0.001 -0.347) 0.347 18.563 ( 0.000 0.001 0.347) 0.347 ======================= Grid point 155 (57/60) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.767 -1.405 -5.934) 6.696 1.724 ( 2.767 -1.405 5.934) 6.696 2.337 ( 1.157 -0.627 -2.566) 2.884 2.337 ( 1.157 -0.627 2.566) 2.884 2.493 ( 8.454 1.455 -2.425) 8.915 2.493 ( 8.454 1.455 2.425) 8.915 2.709 ( 1.253 6.410 -6.115) 8.948 2.709 ( 1.253 6.410 6.115) 8.948 2.815 ( 3.033 0.750 -10.477) 10.933 2.815 ( 3.033 0.750 10.477) 10.933 2.974 ( 2.979 -6.182 -0.242) 6.866 2.974 ( 2.979 -6.182 0.242) 6.866 3.063 ( 2.862 -5.642 -8.891) 10.912 3.063 ( 2.862 -5.642 8.891) 10.912 3.380 ( 2.358 7.418 -2.016) 8.040 3.380 ( 2.358 7.418 2.016) 8.040 3.562 ( 1.880 -3.556 -2.156) 4.564 3.562 ( 1.880 -3.556 2.156) 4.564 3.639 ( 1.998 4.732 -4.464) 6.805 3.639 ( 1.998 4.732 4.464) 6.805 3.701 ( 4.978 0.641 -2.602) 5.653 3.701 ( 4.978 0.641 2.602) 5.653 4.023 ( -0.606 -7.435 -2.647) 7.915 4.023 ( -0.606 -7.435 2.647) 7.915 4.220 ( -0.322 -0.798 -2.389) 2.539 4.220 ( -0.322 -0.798 2.389) 2.539 4.341 ( 0.530 0.282 -1.675) 1.780 4.341 ( 0.530 0.282 1.675) 1.780 4.515 ( -0.572 6.947 -4.989) 8.572 4.515 ( -0.572 6.947 4.989) 8.572 4.615 ( 0.962 2.746 -2.918) 4.121 4.615 ( 0.962 2.746 2.918) 4.121 4.796 ( 0.329 -7.501 -10.431) 12.852 4.796 ( 0.329 -7.501 10.431) 12.852 4.975 ( 0.186 -1.376 -6.058) 6.215 4.975 ( 0.186 -1.376 6.058) 6.215 5.270 ( 0.324 6.243 -3.938) 7.389 5.270 ( 0.324 6.243 3.938) 7.389 5.348 ( 1.669 -1.640 -7.449) 7.808 5.348 ( 1.669 -1.640 7.449) 7.808 5.515 ( 0.479 -0.790 -2.320) 2.497 5.515 ( 0.479 -0.790 2.320) 2.497 5.887 ( 1.038 -0.396 -2.671) 2.893 5.887 ( 1.038 -0.396 2.671) 2.893 6.181 ( -0.015 -1.190 -1.059) 1.593 6.181 ( -0.015 -1.190 1.059) 1.593 6.275 ( -6.251 1.231 -0.155) 6.373 6.275 ( -6.251 1.231 0.155) 6.373 6.507 ( 0.541 -0.280 -1.327) 1.460 6.507 ( 0.541 -0.280 1.327) 1.460 6.779 ( 0.312 0.178 -4.456) 4.471 6.779 ( 0.312 0.178 4.456) 4.471 6.988 ( 1.693 -0.274 -4.390) 4.713 6.988 ( 1.693 -0.274 4.390) 4.713 7.100 ( 0.405 -0.441 -0.951) 1.124 7.100 ( 0.405 -0.441 0.951) 1.124 7.583 ( 7.694 -2.054 -1.484) 8.101 7.583 ( 7.694 -2.054 1.484) 8.101 7.863 ( -0.012 6.829 -4.250) 8.044 7.863 ( -0.012 6.829 4.250) 8.044 7.936 ( -2.911 -0.799 -1.877) 3.555 7.936 ( -2.911 -0.799 1.877) 3.555 8.266 ( -1.096 -0.860 -6.576) 6.722 8.266 ( -1.096 -0.860 6.576) 6.722 8.361 ( -1.561 -2.749 -3.751) 4.906 8.361 ( -1.561 -2.749 3.751) 4.906 8.818 ( -3.352 3.150 -2.301) 5.143 8.818 ( -3.352 3.150 2.301) 5.143 9.023 ( 1.413 -7.887 -1.938) 8.244 9.023 ( 1.413 -7.887 1.938) 8.244 9.630 ( -4.667 3.810 -0.238) 6.029 9.630 ( -4.667 3.810 0.238) 6.029 9.816 ( 2.362 4.518 -0.477) 5.120 9.816 ( 2.362 4.518 0.477) 5.120 10.152 ( -2.124 -1.024 -0.899) 2.524 10.152 ( -2.124 -1.024 0.899) 2.524 10.482 ( -1.451 -3.812 -0.951) 4.188 10.482 ( -1.451 -3.812 0.951) 4.188 10.700 ( -2.469 2.625 -0.162) 3.607 10.700 ( -2.469 2.625 0.162) 3.607 10.981 ( 9.465 1.082 -1.521) 9.647 10.981 ( 9.465 1.082 1.521) 9.647 11.078 ( 4.836 -4.335 -1.569) 6.681 11.078 ( 4.836 -4.335 1.569) 6.681 11.346 ( 8.939 2.934 -0.717) 9.435 11.346 ( 8.939 2.934 0.717) 9.435 11.551 ( 2.729 0.216 -3.218) 4.225 11.551 ( 2.729 0.216 3.218) 4.225 11.842 ( 0.045 0.295 -3.142) 3.156 11.842 ( 0.045 0.295 3.142) 3.156 12.077 ( 1.880 -4.390 -2.712) 5.492 12.077 ( 1.880 -4.390 2.712) 5.492 12.394 ( -1.045 7.149 -3.582) 8.064 12.394 ( -1.045 7.149 3.582) 8.064 12.661 ( 0.281 -4.624 -1.818) 4.977 12.661 ( 0.281 -4.624 1.818) 4.977 12.869 ( 0.062 1.529 -1.412) 2.082 12.869 ( 0.062 1.529 1.412) 2.082 12.998 ( 0.585 -1.834 -2.763) 3.367 12.998 ( 0.585 -1.834 2.763) 3.367 13.582 ( 10.818 -0.077 -0.390) 10.826 13.582 ( 10.818 -0.077 0.390) 10.826 13.730 ( 8.627 0.611 -0.237) 8.652 13.730 ( 8.627 0.611 0.237) 8.652 14.514 ( 4.050 -0.073 -0.335) 4.065 14.514 ( 4.050 -0.073 0.335) 4.065 14.785 ( 2.099 0.953 -0.573) 2.376 14.785 ( 2.099 0.953 0.573) 2.376 15.730 ( -0.299 -0.749 -2.181) 2.326 15.730 ( -0.299 -0.749 2.181) 2.326 16.776 ( -7.271 -2.737 -1.438) 7.901 16.776 ( -7.271 -2.737 1.438) 7.901 16.997 ( -10.821 3.484 -0.229) 11.370 16.997 ( -10.821 3.484 0.229) 11.370 17.855 ( -10.925 -1.612 -0.787) 11.072 17.855 ( -10.925 -1.612 0.787) 11.072 18.111 ( -6.595 0.943 -0.690) 6.698 18.111 ( -6.595 0.943 0.690) 6.698 18.478 ( -8.127 -0.011 -0.351) 8.135 18.478 ( -8.127 -0.011 0.351) 8.135 ======================= Grid point 157 (58/60) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 4.977 -1.509 -5.380) 7.483 1.804 ( 4.977 -1.509 5.380) 7.483 2.332 ( -1.143 -1.624 -2.724) 3.371 2.332 ( -1.143 -1.624 2.724) 3.371 2.668 ( 4.767 8.731 -4.440) 10.894 2.668 ( 4.767 8.731 4.440) 10.894 2.813 ( 9.988 -1.493 -4.261) 10.962 2.813 ( 9.988 -1.493 4.261) 10.962 2.877 ( 4.027 -0.057 -6.459) 7.612 2.877 ( 4.027 -0.057 6.459) 7.612 3.040 ( 2.613 -2.444 -6.160) 7.124 3.040 ( 2.613 -2.444 6.160) 7.124 3.121 ( 2.245 -4.016 -7.827) 9.079 3.121 ( 2.245 -4.016 7.827) 9.079 3.442 ( 2.753 4.729 -2.594) 6.055 3.442 ( 2.753 4.729 2.594) 6.055 3.590 ( 0.969 -4.613 -3.307) 5.758 3.590 ( 0.969 -4.613 3.307) 5.758 3.692 ( 3.937 5.303 -3.196) 7.337 3.692 ( 3.937 5.303 3.196) 7.337 3.864 ( 9.459 -0.174 -2.832) 9.875 3.864 ( 9.459 -0.174 2.832) 9.875 3.993 ( -2.200 -5.775 -3.001) 6.871 3.993 ( -2.200 -5.775 3.001) 6.871 4.240 ( 2.407 0.973 -2.975) 3.949 4.240 ( 2.407 0.973 2.975) 3.949 4.383 ( 3.886 -0.667 -2.121) 4.477 4.383 ( 3.886 -0.667 2.121) 4.477 4.468 ( -2.639 -0.331 -2.961) 3.980 4.468 ( -2.639 -0.331 2.961) 3.980 4.678 ( 4.234 5.635 -6.271) 9.434 4.678 ( 4.234 5.635 6.271) 9.434 4.785 ( -1.367 -0.624 -8.010) 8.150 4.785 ( -1.367 -0.624 8.010) 8.150 5.009 ( 2.827 -4.229 -2.745) 5.780 5.009 ( 2.827 -4.229 2.745) 5.780 5.231 ( -2.593 2.691 -2.734) 4.631 5.231 ( -2.593 2.691 2.734) 4.631 5.438 ( 5.775 1.048 -5.188) 7.833 5.438 ( 5.775 1.048 5.188) 7.833 5.517 ( -0.440 -1.047 -1.086) 1.571 5.517 ( -0.440 -1.047 1.086) 1.571 5.888 ( -2.758 1.342 -3.206) 4.437 5.888 ( -2.758 1.342 3.206) 4.437 6.092 ( -7.633 1.238 -0.927) 7.788 6.092 ( -7.633 1.238 0.927) 7.788 6.200 ( 0.090 -6.413 -1.709) 6.637 6.200 ( 0.090 -6.413 1.709) 6.637 6.543 ( 2.734 4.565 -1.512) 5.532 6.543 ( 2.734 4.565 1.512) 5.532 6.801 ( 1.643 -2.043 -3.029) 4.006 6.801 ( 1.643 -2.043 3.029) 4.006 7.052 ( 4.386 1.730 -4.477) 6.502 7.052 ( 4.386 1.730 4.477) 6.502 7.125 ( 2.174 -1.534 -1.874) 3.254 7.125 ( 2.174 -1.534 1.874) 3.254 7.711 ( 2.819 0.695 -2.336) 3.727 7.711 ( 2.819 0.695 2.336) 3.727 7.811 ( -5.856 2.194 -2.781) 6.844 7.811 ( -5.856 2.194 2.781) 6.844 7.894 ( 0.333 0.474 -1.789) 1.880 7.894 ( 0.333 0.474 1.789) 1.880 8.270 ( 2.014 -0.858 -4.382) 4.899 8.270 ( 2.014 -0.858 4.382) 4.899 8.341 ( 0.010 -4.313 -3.455) 5.526 8.341 ( 0.010 -4.313 3.455) 5.526 8.727 ( -4.764 3.180 -0.659) 5.766 8.727 ( -4.764 3.180 0.659) 5.766 9.086 ( 4.468 -3.323 -1.837) 5.863 9.086 ( 4.468 -3.323 1.837) 5.863 9.526 ( -5.212 2.109 -0.494) 5.644 9.526 ( -5.212 2.109 0.494) 5.644 9.871 ( 2.767 3.508 -0.294) 4.478 9.871 ( 2.767 3.508 0.294) 4.478 10.091 ( -3.779 -2.035 -1.021) 4.411 10.091 ( -3.779 -2.035 1.021) 4.411 10.447 ( -1.698 -2.547 -0.442) 3.093 10.447 ( -1.698 -2.547 0.442) 3.093 10.628 ( -4.239 2.594 -0.494) 4.994 10.628 ( -4.239 2.594 0.494) 4.994 11.131 ( 4.982 1.312 -2.227) 5.612 11.131 ( 4.982 1.312 2.227) 5.612 11.226 ( 7.406 -5.363 -1.832) 9.326 11.226 ( 7.406 -5.363 1.832) 9.326 11.554 ( 9.868 4.646 -2.419) 11.172 11.554 ( 9.868 4.646 2.419) 11.172 11.641 ( 6.159 0.758 -3.808) 7.280 11.641 ( 6.159 0.758 3.808) 7.280 11.856 ( 1.561 -2.200 -3.860) 4.709 11.856 ( 1.561 -2.200 3.860) 4.709 12.117 ( 1.585 -1.859 -2.143) 3.250 12.117 ( 1.585 -1.859 2.143) 3.250 12.384 ( 1.198 3.960 -4.159) 5.866 12.384 ( 1.198 3.960 4.159) 5.866 12.669 ( 0.467 -3.262 -1.871) 3.789 12.669 ( 0.467 -3.262 1.871) 3.789 12.873 ( 0.396 1.745 -1.486) 2.326 12.873 ( 0.396 1.745 1.486) 2.326 12.993 ( -1.436 -1.184 -2.174) 2.862 12.993 ( -1.436 -1.184 2.174) 2.862 13.929 ( 21.988 -0.080 -0.577) 21.996 13.929 ( 21.988 -0.080 0.577) 21.996 13.945 ( 11.796 0.076 -0.814) 11.824 13.945 ( 11.796 0.076 0.814) 11.824 14.645 ( 8.826 -0.044 -0.222) 8.829 14.645 ( 8.826 -0.044 0.222) 8.829 14.811 ( -0.725 0.828 -0.768) 1.342 14.811 ( -0.725 0.828 0.768) 1.342 15.764 ( 4.776 -0.753 -1.844) 5.174 15.764 ( 4.776 -0.753 1.844) 5.174 16.583 ( -11.104 -1.226 -1.355) 11.253 16.583 ( -11.104 -1.226 1.355) 11.253 16.717 ( -14.978 1.936 -0.161) 15.104 16.717 ( -14.978 1.936 0.161) 15.104 17.524 ( -21.179 -0.808 -0.891) 21.213 17.524 ( -21.179 -0.808 0.891) 21.213 17.930 ( -10.622 0.394 -0.586) 10.645 17.930 ( -10.622 0.394 0.586) 10.645 18.243 ( -14.482 -0.030 -0.348) 14.486 18.243 ( -14.482 -0.030 0.348) 14.486 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 5.891 0.147 -4.557) 7.450 1.918 ( 5.891 0.147 4.557) 7.450 2.296 ( -2.402 -4.758 -2.449) 5.866 2.296 ( -2.402 -4.758 2.449) 5.866 2.737 ( 3.094 12.576 -1.758) 13.069 2.737 ( 3.094 12.576 1.758) 13.069 2.900 ( 1.784 -1.892 -1.831) 3.180 2.900 ( 1.784 -1.892 1.831) 3.180 3.047 ( 1.353 -2.512 -5.737) 6.408 3.047 ( 1.353 -2.512 5.737) 6.408 3.086 ( 6.028 -4.560 -1.024) 7.628 3.086 ( 6.028 -4.560 1.024) 7.628 3.165 ( 3.797 0.508 -4.240) 5.714 3.165 ( 3.797 0.508 4.240) 5.714 3.459 ( -0.980 0.873 -6.216) 6.353 3.459 ( -0.980 0.873 6.216) 6.353 3.623 ( 2.619 -4.822 -4.400) 7.033 3.623 ( 2.619 -4.822 4.400) 7.033 3.770 ( 2.035 4.898 -0.772) 5.360 3.770 ( 2.035 4.898 0.772) 5.360 3.945 ( -0.316 3.830 -0.586) 3.888 3.945 ( -0.316 3.830 0.586) 3.888 4.060 ( 8.311 -6.672 -0.724) 10.682 4.060 ( 8.311 -6.672 0.724) 10.682 4.303 ( 2.865 3.851 -2.861) 5.588 4.303 ( 2.865 3.851 2.861) 5.588 4.393 ( -1.677 -3.110 -3.809) 5.195 4.393 ( -1.677 -3.110 3.809) 5.195 4.552 ( 8.800 -1.047 -1.256) 8.950 4.552 ( 8.800 -1.047 1.256) 8.950 4.726 ( -2.896 1.317 -2.558) 4.082 4.726 ( -2.896 1.317 2.558) 4.082 4.766 ( 3.161 2.215 -0.564) 3.901 4.766 ( 3.161 2.215 0.564) 3.901 5.086 ( 5.252 -0.908 -1.577) 5.559 5.086 ( 5.252 -0.908 1.577) 5.559 5.198 ( -1.320 0.305 -3.113) 3.395 5.198 ( -1.320 0.305 3.113) 3.395 5.496 ( -0.788 -0.047 -1.169) 1.411 5.496 ( -0.788 -0.047 1.169) 1.411 5.548 ( 3.404 1.571 -3.779) 5.323 5.548 ( 3.404 1.571 3.779) 5.323 5.733 ( -9.799 -4.238 -2.658) 11.002 5.733 ( -9.799 -4.238 2.658) 11.002 6.011 ( -1.630 8.495 -2.644) 9.045 6.011 ( -1.630 8.495 2.644) 9.045 6.205 ( 0.240 -9.898 -2.040) 10.109 6.205 ( 0.240 -9.898 2.040) 10.109 6.604 ( 2.892 7.662 -1.665) 8.357 6.604 ( 2.892 7.662 1.665) 8.357 6.832 ( 1.161 -4.705 -2.206) 5.325 6.832 ( 1.161 -4.705 2.206) 5.325 7.160 ( 6.014 1.824 -4.147) 7.529 7.160 ( 6.014 1.824 4.147) 7.529 7.198 ( 5.148 -1.676 -2.881) 6.133 7.198 ( 5.148 -1.676 2.881) 6.133 7.646 ( -7.556 1.681 -1.856) 7.960 7.646 ( -7.556 1.681 1.857) 7.960 7.682 ( -6.655 1.102 -1.711) 6.960 7.682 ( -6.655 1.102 1.711) 6.960 7.953 ( 4.869 -0.058 -1.018) 4.975 7.953 ( 4.869 -0.059 1.018) 4.975 8.281 ( -2.241 -6.228 -0.615) 6.647 8.281 ( -2.241 -6.228 0.615) 6.647 8.403 ( 5.820 0.770 -1.286) 6.010 8.403 ( 5.820 0.770 1.286) 6.010 8.649 ( -2.649 4.752 -0.858) 5.508 8.649 ( -2.649 4.752 0.858) 5.508 9.188 ( 5.167 -0.814 -2.000) 5.600 9.188 ( 5.167 -0.814 2.000) 5.600 9.429 ( -4.012 -0.561 -0.898) 4.149 9.429 ( -4.012 -0.561 0.898) 4.149 9.917 ( 1.378 2.009 -0.199) 2.444 9.917 ( 1.378 2.009 0.199) 2.444 10.007 ( -4.101 -2.692 -0.697) 4.955 10.007 ( -4.101 -2.692 0.697) 4.955 10.418 ( -1.233 1.240 -1.447) 2.270 10.418 ( -1.233 1.240 1.447) 2.270 10.545 ( -3.330 0.597 -1.141) 3.570 10.545 ( -3.330 0.597 1.141) 3.570 11.202 ( 1.951 1.826 -1.110) 2.893 11.202 ( 1.951 1.826 1.110) 2.893 11.318 ( 2.012 -6.597 -1.019) 6.972 11.318 ( 2.012 -6.597 1.019) 6.972 11.699 ( 4.472 8.880 -3.787) 10.639 11.699 ( 4.472 8.880 3.787) 10.639 11.791 ( 7.465 -0.629 -3.086) 8.103 11.791 ( 7.465 -0.629 3.086) 8.103 11.904 ( 2.848 -5.703 -5.555) 8.455 11.904 ( 2.848 -5.703 5.555) 8.455 12.120 ( -1.494 2.195 -2.804) 3.862 12.120 ( -1.494 2.195 2.804) 3.862 12.486 ( 8.490 -0.046 -2.240) 8.781 12.486 ( 8.490 -0.046 2.240) 8.781 12.681 ( 0.850 -2.712 -2.029) 3.492 12.681 ( 0.850 -2.712 2.029) 3.492 12.883 ( 0.429 1.882 -2.077) 2.836 12.883 ( 0.429 1.882 2.077) 2.836 12.941 ( -3.244 -0.219 -1.615) 3.630 12.941 ( -3.244 -0.219 1.615) 3.630 14.114 ( 6.048 0.042 -0.717) 6.090 14.114 ( 6.048 0.042 0.717) 6.090 14.483 ( 28.119 -0.811 -0.121) 28.131 14.483 ( 28.119 -0.811 0.121) 28.131 14.718 ( -7.364 0.905 -0.431) 7.432 14.718 ( -7.364 0.905 0.431) 7.432 14.866 ( 12.276 0.046 -0.351) 12.281 14.866 ( 12.276 0.046 0.351) 12.281 15.954 ( 13.554 -0.413 -1.553) 13.649 15.954 ( 13.554 -0.413 1.553) 13.649 16.310 ( -14.842 0.516 -1.285) 14.907 16.310 ( -14.842 0.516 1.285) 14.907 16.499 ( -5.243 -0.013 -0.552) 5.272 16.499 ( -5.243 -0.013 0.552) 5.272 17.013 ( -28.206 -0.279 -0.915) 28.222 17.013 ( -28.206 -0.279 0.915) 28.222 17.702 ( -10.897 0.113 -0.366) 10.904 17.702 ( -10.897 0.113 0.366) 10.904 17.914 ( -16.950 -0.046 -0.339) 16.954 17.914 ( -16.950 -0.046 0.339) 16.954 ======================= Grid point 161 (60/60) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 3.746 4.608 -2.499) 6.443 2.025 ( 3.746 4.608 2.499) 6.443 2.242 ( -2.288 -9.796 -1.659) 10.195 2.242 ( -2.288 -9.796 1.659) 10.195 2.791 ( 1.644 13.666 -0.256) 13.767 2.791 ( 1.644 13.666 0.256) 13.767 2.938 ( 2.253 1.891 -2.284) 3.725 2.938 ( 2.253 1.891 2.284) 3.725 3.008 ( -3.021 -3.264 -4.386) 6.246 3.008 ( -3.021 -3.264 4.386) 6.246 3.141 ( 0.846 -10.499 -0.258) 10.536 3.141 ( 0.846 -10.499 0.258) 10.536 3.275 ( 3.464 5.145 -2.417) 6.657 3.275 ( 3.464 5.145 2.417) 6.657 3.432 ( -0.922 -3.903 -4.303) 5.882 3.432 ( -0.922 -3.903 4.303) 5.882 3.682 ( 2.755 -1.359 -3.463) 4.629 3.682 ( 2.755 -1.359 3.463) 4.629 3.752 ( -2.642 -1.027 -1.108) 3.043 3.752 ( -2.642 -1.027 1.108) 3.043 3.992 ( 3.423 10.896 -1.091) 11.473 3.992 ( 3.423 10.896 1.091) 11.473 4.205 ( 5.706 -6.821 -2.212) 9.163 4.205 ( 5.706 -6.821 2.212) 9.163 4.302 ( -2.850 0.595 -3.466) 4.526 4.302 ( -2.850 0.595 3.466) 4.526 4.374 ( -1.006 -3.317 -1.586) 3.812 4.374 ( -1.006 -3.317 1.586) 3.812 4.636 ( -0.141 4.199 -2.885) 5.097 4.636 ( -0.141 4.199 2.885) 5.097 4.702 ( 0.647 -1.577 -3.251) 3.671 4.702 ( 0.647 -1.577 3.251) 3.671 4.905 ( 10.097 1.759 -1.095) 10.307 4.905 ( 10.097 1.759 1.095) 10.307 5.116 ( -7.214 -0.385 -1.520) 7.383 5.116 ( -7.214 -0.385 1.520) 7.383 5.232 ( 8.500 -0.065 -0.505) 8.516 5.232 ( 8.500 -0.065 0.505) 8.516 5.432 ( -8.089 -2.481 -0.797) 8.499 5.432 ( -8.089 -2.481 0.797) 8.499 5.540 ( -0.102 3.825 -1.138) 3.992 5.540 ( -0.102 3.825 1.138) 3.992 5.644 ( -0.069 -5.623 -1.264) 5.764 5.644 ( -0.069 -5.623 1.264) 5.764 5.988 ( -0.600 10.766 -1.385) 10.872 5.988 ( -0.600 10.766 1.385) 10.872 6.207 ( -0.028 -10.990 -0.992) 11.034 6.207 ( -0.028 -10.990 0.992) 11.034 6.648 ( 1.211 10.207 -0.771) 10.308 6.648 ( 1.211 10.207 0.771) 10.308 6.846 ( 0.258 -7.504 -0.902) 7.562 6.846 ( 0.258 -7.504 0.902) 7.562 7.291 ( 6.441 0.689 -1.895) 6.749 7.291 ( 6.441 0.689 1.895) 6.749 7.325 ( 6.264 -0.205 -1.504) 6.445 7.325 ( 6.264 -0.205 1.504) 6.445 7.489 ( -6.554 0.656 -0.682) 6.622 7.489 ( -6.554 0.656 0.682) 6.622 7.528 ( -7.634 1.361 -0.845) 7.800 7.528 ( -7.634 1.361 0.845) 7.800 8.070 ( 6.258 -1.677 -0.934) 6.545 8.070 ( 6.258 -1.677 0.934) 6.545 8.196 ( -5.662 -4.211 -0.852) 7.108 8.196 ( -5.662 -4.211 0.852) 7.108 8.518 ( 4.521 3.631 -1.228) 5.927 8.518 ( 4.521 3.631 1.228) 5.927 8.607 ( -1.967 3.312 -0.970) 3.972 8.607 ( -1.967 3.312 0.970) 3.972 9.275 ( 2.779 0.945 -1.358) 3.234 9.275 ( 2.779 0.945 1.358) 3.234 9.369 ( -1.752 -3.558 -0.834) 4.053 9.369 ( -1.752 -3.558 0.834) 4.053 9.925 ( -0.078 -0.442 -0.393) 0.596 9.925 ( -0.078 -0.442 0.393) 0.596 9.944 ( -1.806 -1.705 -0.360) 2.510 9.944 ( -1.806 -1.705 0.360) 2.510 10.396 ( -0.762 6.208 -0.917) 6.321 10.396 ( -0.762 6.208 0.917) 6.321 10.506 ( -0.717 -2.919 -0.674) 3.080 10.506 ( -0.717 -2.919 0.674) 3.080 11.220 ( 0.176 2.978 -0.285) 2.997 11.220 ( 0.176 2.978 0.286) 2.997 11.334 ( 0.092 -8.133 -0.278) 8.138 11.334 ( 0.092 -8.133 0.278) 8.138 11.758 ( 1.472 9.903 -1.772) 10.167 11.758 ( 1.472 9.903 1.772) 10.167 11.897 ( 2.291 -3.090 -1.426) 4.103 11.897 ( 2.291 -3.090 1.426) 4.103 11.972 ( 4.006 -1.999 -2.909) 5.339 11.972 ( 4.006 -1.999 2.909) 5.339 12.067 ( -3.314 0.355 -1.571) 3.685 12.067 ( -3.314 0.355 1.571) 3.685 12.647 ( 4.467 -0.451 -2.153) 4.979 12.647 ( 4.467 -0.450 2.153) 4.979 12.713 ( 2.403 -4.243 -2.196) 5.348 12.713 ( 2.403 -4.243 2.196) 5.348 12.866 ( -1.867 3.248 -1.898) 4.200 12.866 ( -1.867 3.248 1.898) 4.200 12.901 ( -0.339 0.411 -1.194) 1.307 12.901 ( -0.339 0.411 1.194) 1.307 14.237 ( 7.502 0.095 -0.607) 7.527 14.237 ( 7.502 0.095 0.607) 7.527 14.455 ( -12.649 -0.448 -0.480) 12.666 14.455 ( -12.649 -0.448 0.480) 12.666 15.040 ( 16.792 1.213 -1.160) 16.875 15.040 ( 16.792 1.213 1.160) 16.875 15.108 ( 9.774 -0.798 -1.404) 9.906 15.108 ( 9.774 -0.798 1.404) 9.906 16.108 ( -0.170 0.214 -0.615) 0.673 16.108 ( -0.170 0.214 0.615) 0.673 16.249 ( 12.126 -0.362 -1.201) 12.191 16.249 ( 12.126 -0.362 1.201) 12.191 16.430 ( -19.407 0.274 -0.577) 19.417 16.430 ( -19.407 0.274 0.577) 19.417 16.435 ( -9.822 -0.130 -0.989) 9.873 16.435 ( -9.822 -0.130 0.989) 9.872 17.536 ( -3.759 0.087 -0.126) 3.762 17.536 ( -3.759 0.087 0.126) 3.762 17.610 ( -10.815 -0.118 -0.273) 10.819 17.610 ( -10.815 -0.118 0.273) 10.819 =================== 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 3/32400 10.0 1252.216 1084.352 2052.809 0.000 0.000 -0.000 3/32400 20.0 252.306 151.089 366.532 0.000 0.000 -0.000 3/32400 30.0 105.313 56.857 140.599 0.000 0.000 -0.000 3/32400 40.0 59.110 30.860 75.000 0.000 0.000 -0.000 3/32400 50.0 38.918 19.993 47.524 0.000 0.000 -0.000 3/32400 60.0 28.192 14.341 33.410 0.000 0.000 -0.000 3/32400 70.0 21.724 10.980 25.148 0.000 0.000 -0.000 3/32400 80.0 17.475 8.795 19.858 0.000 0.000 -0.000 3/32400 90.0 14.511 7.282 16.246 0.000 0.000 -0.000 3/32400 100.0 12.349 6.185 13.657 0.000 0.000 -0.000 3/32400 110.0 10.718 5.360 11.730 0.000 0.000 -0.000 3/32400 120.0 9.454 4.721 10.251 0.000 0.000 -0.000 3/32400 130.0 8.451 4.214 9.088 0.000 0.000 -0.000 3/32400 140.0 7.640 3.803 8.152 0.000 0.000 -0.000 3/32400 150.0 6.973 3.465 7.387 0.000 0.000 -0.000 3/32400 160.0 6.416 3.181 6.751 0.000 0.000 -0.000 3/32400 170.0 5.944 2.941 6.214 0.000 0.000 -0.000 3/32400 180.0 5.541 2.735 5.757 0.000 0.000 -0.000 3/32400 190.0 5.191 2.557 5.362 0.000 0.000 -0.000 3/32400 200.0 4.886 2.401 5.019 0.000 0.000 -0.000 3/32400 210.0 4.616 2.263 4.718 0.000 0.000 -0.000 3/32400 220.0 4.377 2.140 4.451 0.000 0.000 -0.000 3/32400 230.0 4.163 2.031 4.214 0.000 0.000 -0.000 3/32400 240.0 3.970 1.932 4.001 0.000 0.000 -0.000 3/32400 250.0 3.796 1.843 3.809 0.000 0.000 -0.000 3/32400 260.0 3.637 1.762 3.636 0.000 0.000 -0.000 3/32400 270.0 3.492 1.688 3.478 0.000 0.000 -0.000 3/32400 280.0 3.358 1.621 3.333 0.000 0.000 -0.000 3/32400 290.0 3.235 1.558 3.200 0.000 0.000 -0.000 3/32400 300.0 3.121 1.501 3.078 0.000 0.000 -0.000 3/32400 310.0 3.015 1.447 2.965 0.000 0.000 -0.000 3/32400 320.0 2.917 1.398 2.861 0.000 0.000 -0.000 3/32400 330.0 2.825 1.351 2.763 0.000 0.000 -0.000 3/32400 340.0 2.739 1.308 2.673 0.000 0.000 -0.000 3/32400 350.0 2.658 1.268 2.588 0.000 0.000 -0.000 3/32400 360.0 2.582 1.230 2.508 0.000 0.000 -0.000 3/32400 370.0 2.510 1.194 2.434 0.000 0.000 -0.000 3/32400 380.0 2.442 1.161 2.364 0.000 0.000 -0.000 3/32400 390.0 2.378 1.129 2.298 0.000 0.000 -0.000 3/32400 400.0 2.317 1.099 2.235 0.000 0.000 -0.000 3/32400 410.0 2.260 1.070 2.176 0.000 0.000 -0.000 3/32400 420.0 2.205 1.044 2.120 0.000 0.000 -0.000 3/32400 430.0 2.153 1.018 2.067 0.000 0.000 -0.000 3/32400 440.0 2.103 0.994 2.017 0.000 0.000 -0.000 3/32400 450.0 2.056 0.970 1.969 0.000 0.000 -0.000 3/32400 460.0 2.011 0.948 1.923 0.000 0.000 -0.000 3/32400 470.0 1.968 0.927 1.880 0.000 0.000 -0.000 3/32400 480.0 1.926 0.907 1.838 0.000 0.000 -0.000 3/32400 490.0 1.887 0.888 1.799 0.000 0.000 -0.000 3/32400 500.0 1.848 0.869 1.761 0.000 0.000 -0.000 3/32400 510.0 1.812 0.852 1.724 0.000 0.000 -0.000 3/32400 520.0 1.777 0.835 1.689 0.000 0.000 -0.000 3/32400 530.0 1.743 0.818 1.656 0.000 0.000 -0.000 3/32400 540.0 1.711 0.803 1.624 0.000 0.000 -0.000 3/32400 550.0 1.679 0.788 1.593 0.000 0.000 -0.000 3/32400 560.0 1.649 0.773 1.563 0.000 0.000 -0.000 3/32400 570.0 1.620 0.759 1.534 0.000 0.000 -0.000 3/32400 580.0 1.592 0.746 1.507 0.000 0.000 -0.000 3/32400 590.0 1.565 0.733 1.480 0.000 0.000 -0.000 3/32400 600.0 1.539 0.720 1.455 0.000 0.000 -0.000 3/32400 610.0 1.513 0.708 1.430 0.000 0.000 -0.000 3/32400 620.0 1.489 0.696 1.406 0.000 0.000 -0.000 3/32400 630.0 1.465 0.685 1.383 0.000 0.000 -0.000 3/32400 640.0 1.442 0.674 1.361 0.000 0.000 -0.000 3/32400 650.0 1.420 0.663 1.339 0.000 0.000 -0.000 3/32400 660.0 1.398 0.653 1.318 0.000 0.000 -0.000 3/32400 670.0 1.378 0.643 1.298 0.000 0.000 -0.000 3/32400 680.0 1.357 0.633 1.278 0.000 0.000 -0.000 3/32400 690.0 1.338 0.624 1.259 0.000 0.000 -0.000 3/32400 700.0 1.318 0.615 1.240 0.000 0.000 -0.000 3/32400 710.0 1.300 0.606 1.222 0.000 0.000 -0.000 3/32400 720.0 1.282 0.597 1.205 0.000 0.000 -0.000 3/32400 730.0 1.264 0.589 1.188 0.000 0.000 -0.000 3/32400 740.0 1.247 0.581 1.172 0.000 0.000 -0.000 3/32400 750.0 1.230 0.573 1.156 0.000 0.000 -0.000 3/32400 760.0 1.214 0.565 1.140 0.000 0.000 -0.000 3/32400 770.0 1.198 0.558 1.125 0.000 0.000 -0.000 3/32400 780.0 1.183 0.551 1.110 0.000 0.000 -0.000 3/32400 790.0 1.168 0.544 1.096 0.000 0.000 -0.000 3/32400 800.0 1.153 0.537 1.082 0.000 0.000 -0.000 3/32400 810.0 1.139 0.530 1.068 0.000 0.000 -0.000 3/32400 820.0 1.125 0.523 1.055 0.000 0.000 -0.000 3/32400 830.0 1.112 0.517 1.042 0.000 0.000 -0.000 3/32400 840.0 1.098 0.511 1.029 0.000 0.000 -0.000 3/32400 850.0 1.086 0.505 1.017 0.000 0.000 -0.000 3/32400 860.0 1.073 0.499 1.005 0.000 0.000 -0.000 3/32400 870.0 1.061 0.493 0.993 0.000 0.000 -0.000 3/32400 880.0 1.049 0.487 0.981 0.000 0.000 -0.000 3/32400 890.0 1.037 0.482 0.970 0.000 0.000 -0.000 3/32400 900.0 1.025 0.476 0.959 0.000 0.000 -0.000 3/32400 910.0 1.014 0.471 0.948 0.000 0.000 -0.000 3/32400 920.0 1.003 0.466 0.938 0.000 0.000 -0.000 3/32400 930.0 0.992 0.461 0.928 0.000 0.000 -0.000 3/32400 940.0 0.982 0.456 0.918 0.000 0.000 -0.000 3/32400 950.0 0.971 0.451 0.908 0.000 0.000 -0.000 3/32400 960.0 0.961 0.446 0.898 0.000 0.000 -0.000 3/32400 970.0 0.951 0.442 0.889 0.000 0.000 -0.000 3/32400 980.0 0.942 0.437 0.880 0.000 0.000 -0.000 3/32400 990.0 0.932 0.432 0.871 0.000 0.000 -0.000 3/32400 1000.0 0.923 0.428 0.862 0.000 0.000 -0.000 3/32400 Thermal conductivity related properties were written into "kappa-m9310.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:51:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|