----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:42:33]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.341611879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.679523630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): *1 Be 0.73353449574759 0.25000000000000 0.41986992323203 9.012 2 Be 0.26646550425241 0.75000000000000 0.58013007676797 9.012 3 Be 0.76646550425241 0.75000000000000 0.91986992323203 9.012 4 Be 0.23353449574759 0.25000000000000 0.08013007676797 9.012 *5 F 0.80885595992459 0.47362357192077 0.34798605279220 18.998 6 F 0.19114404007541 0.97362357192077 0.65201394720780 18.998 7 F 0.69114404007541 0.97362357192077 0.84798605279220 18.998 8 F 0.30885595992458 0.47362357192077 0.15201394720780 18.998 9 F 0.30885595992458 0.02637642807923 0.15201394720780 18.998 10 F 0.69114404007541 0.52637642807923 0.84798605279220 18.998 11 F 0.19114404007541 0.52637642807923 0.65201394720780 18.998 12 F 0.80885595992459 0.02637642807923 0.34798605279220 18.998 *13 F 0.02265564189886 0.25000000000000 0.08385973071003 18.998 14 F 0.97734435810114 0.75000000000000 0.91614026928996 18.998 15 F 0.47734435810114 0.75000000000000 0.58385973071004 18.998 16 F 0.52265564189886 0.25000000000000 0.41614026928997 18.998 *17 F 0.30947973295722 0.25000000000000 0.93234569832107 18.998 18 F 0.69052026704278 0.75000000000000 0.06765430167893 18.998 19 F 0.19052026704278 0.75000000000000 0.43234569832107 18.998 20 F 0.80947973295722 0.25000000000000 0.56765430167893 18.998 *21 K 0.48736560237419 0.25000000000000 0.69127371428483 39.098 22 K 0.51263439762581 0.75000000000000 0.30872628571517 39.098 23 K 0.01263439762581 0.75000000000000 0.19127371428484 39.098 24 K 0.98736560237419 0.25000000000000 0.80872628571517 39.098 *25 K 0.65799405657509 0.25000000000000 0.09026284026478 39.098 26 K 0.34200594342491 0.75000000000000 0.90973715973522 39.098 27 K 0.84200594342491 0.75000000000000 0.59026284026478 39.098 28 K 0.15799405657509 0.25000000000000 0.40973715973523 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.341611879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.679523630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): *1 Be 0.73353449574759 0.25000000000000 0.41986992323203 9.012 > 1 2 Be 0.26646550425241 0.75000000000000 0.58013007676797 9.012 > 2 3 Be 0.76646550425241 0.75000000000000 0.91986992323203 9.012 > 3 4 Be 0.23353449574759 0.25000000000000 0.08013007676797 9.012 > 4 *5 F 0.80885595992459 0.47362357192077 0.34798605279220 18.998 > 5 6 F 0.19114404007541 0.97362357192077 0.65201394720780 18.998 > 6 7 F 0.69114404007541 0.97362357192077 0.84798605279220 18.998 > 7 8 F 0.30885595992458 0.47362357192077 0.15201394720780 18.998 > 8 9 F 0.30885595992458 0.02637642807923 0.15201394720780 18.998 > 9 10 F 0.69114404007541 0.52637642807923 0.84798605279220 18.998 > 10 11 F 0.19114404007541 0.52637642807923 0.65201394720780 18.998 > 11 12 F 0.80885595992459 0.02637642807923 0.34798605279220 18.998 > 12 *13 F 0.02265564189886 0.25000000000000 0.08385973071003 18.998 > 13 14 F 0.97734435810114 0.75000000000000 0.91614026928996 18.998 > 14 15 F 0.47734435810114 0.75000000000000 0.58385973071004 18.998 > 15 16 F 0.52265564189886 0.25000000000000 0.41614026928997 18.998 > 16 *17 F 0.30947973295722 0.25000000000000 0.93234569832107 18.998 > 17 18 F 0.69052026704278 0.75000000000000 0.06765430167893 18.998 > 18 19 F 0.19052026704278 0.75000000000000 0.43234569832107 18.998 > 19 20 F 0.80947973295722 0.25000000000000 0.56765430167893 18.998 > 20 *21 K 0.48736560237419 0.25000000000000 0.69127371428483 39.098 > 21 22 K 0.51263439762581 0.75000000000000 0.30872628571517 39.098 > 22 23 K 0.01263439762581 0.75000000000000 0.19127371428484 39.098 > 23 24 K 0.98736560237419 0.25000000000000 0.80872628571517 39.098 > 24 *25 K 0.65799405657509 0.25000000000000 0.09026284026478 39.098 > 25 26 K 0.34200594342491 0.75000000000000 0.90973715973522 39.098 > 26 27 K 0.84200594342491 0.75000000000000 0.59026284026478 39.098 > 27 28 K 0.15799405657509 0.25000000000000 0.40973715973523 39.098 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.683223759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.359047260000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): *1 Be 0.36676724787379 0.12500000000000 0.41986992323203 9.012 > 1 2 Be 0.86676724787379 0.12500000000000 0.41986992323203 9.012 > 1 3 Be 0.36676724787379 0.62500000000000 0.41986992323203 9.012 > 1 4 Be 0.86676724787379 0.62500000000000 0.41986992323203 9.012 > 1 5 Be 0.13323275212621 0.37500000000000 0.58013007676797 9.012 > 2 6 Be 0.63323275212621 0.37500000000000 0.58013007676797 9.012 > 2 7 Be 0.13323275212621 0.87500000000000 0.58013007676797 9.012 > 2 8 Be 0.63323275212621 0.87500000000000 0.58013007676797 9.012 > 2 9 Be 0.38323275212621 0.37500000000000 0.91986992323203 9.012 > 3 10 Be 0.88323275212621 0.37500000000000 0.91986992323203 9.012 > 3 11 Be 0.38323275212621 0.87500000000000 0.91986992323203 9.012 > 3 12 Be 0.88323275212621 0.87500000000000 0.91986992323203 9.012 > 3 13 Be 0.11676724787379 0.12500000000000 0.08013007676797 9.012 > 4 14 Be 0.61676724787379 0.12500000000000 0.08013007676797 9.012 > 4 15 Be 0.11676724787379 0.62500000000000 0.08013007676797 9.012 > 4 16 Be 0.61676724787379 0.62500000000000 0.08013007676797 9.012 > 4 *17 F 0.40442797996229 0.23681178596038 0.34798605279220 18.998 > 5 18 F 0.90442797996229 0.23681178596038 0.34798605279220 18.998 > 5 19 F 0.40442797996229 0.73681178596038 0.34798605279220 18.998 > 5 20 F 0.90442797996229 0.73681178596038 0.34798605279220 18.998 > 5 21 F 0.09557202003771 0.48681178596038 0.65201394720780 18.998 > 6 22 F 0.59557202003771 0.48681178596038 0.65201394720780 18.998 > 6 23 F 0.09557202003771 0.98681178596038 0.65201394720780 18.998 > 6 24 F 0.59557202003771 0.98681178596038 0.65201394720780 18.998 > 6 25 F 0.34557202003771 0.48681178596038 0.84798605279220 18.998 > 7 26 F 0.84557202003771 0.48681178596038 0.84798605279220 18.998 > 7 27 F 0.34557202003771 0.98681178596038 0.84798605279220 18.998 > 7 28 F 0.84557202003771 0.98681178596038 0.84798605279220 18.998 > 7 29 F 0.15442797996229 0.23681178596038 0.15201394720780 18.998 > 8 30 F 0.65442797996229 0.23681178596038 0.15201394720780 18.998 > 8 31 F 0.15442797996229 0.73681178596038 0.15201394720780 18.998 > 8 32 F 0.65442797996229 0.73681178596038 0.15201394720780 18.998 > 8 33 F 0.15442797996229 0.01318821403962 0.15201394720780 18.998 > 9 34 F 0.65442797996229 0.01318821403962 0.15201394720780 18.998 > 9 35 F 0.15442797996229 0.51318821403962 0.15201394720780 18.998 > 9 36 F 0.65442797996229 0.51318821403962 0.15201394720780 18.998 > 9 37 F 0.34557202003771 0.26318821403962 0.84798605279220 18.998 > 10 38 F 0.84557202003771 0.26318821403962 0.84798605279220 18.998 > 10 39 F 0.34557202003771 0.76318821403962 0.84798605279220 18.998 > 10 40 F 0.84557202003771 0.76318821403962 0.84798605279220 18.998 > 10 41 F 0.09557202003771 0.26318821403962 0.65201394720780 18.998 > 11 42 F 0.59557202003771 0.26318821403962 0.65201394720780 18.998 > 11 43 F 0.09557202003771 0.76318821403962 0.65201394720780 18.998 > 11 44 F 0.59557202003771 0.76318821403962 0.65201394720780 18.998 > 11 45 F 0.40442797996229 0.01318821403962 0.34798605279220 18.998 > 12 46 F 0.90442797996229 0.01318821403962 0.34798605279220 18.998 > 12 47 F 0.40442797996229 0.51318821403962 0.34798605279220 18.998 > 12 48 F 0.90442797996229 0.51318821403962 0.34798605279220 18.998 > 12 *49 F 0.01132782094943 0.12500000000000 0.08385973071003 18.998 > 13 50 F 0.51132782094943 0.12500000000000 0.08385973071003 18.998 > 13 51 F 0.01132782094943 0.62500000000000 0.08385973071003 18.998 > 13 52 F 0.51132782094943 0.62500000000000 0.08385973071003 18.998 > 13 53 F 0.48867217905057 0.37500000000000 0.91614026928996 18.998 > 14 54 F 0.98867217905057 0.37500000000000 0.91614026928996 18.998 > 14 55 F 0.48867217905057 0.87500000000000 0.91614026928996 18.998 > 14 56 F 0.98867217905057 0.87500000000000 0.91614026928996 18.998 > 14 57 F 0.23867217905057 0.37500000000000 0.58385973071004 18.998 > 15 58 F 0.73867217905057 0.37500000000000 0.58385973071004 18.998 > 15 59 F 0.23867217905057 0.87500000000000 0.58385973071004 18.998 > 15 60 F 0.73867217905057 0.87500000000000 0.58385973071004 18.998 > 15 61 F 0.26132782094943 0.12500000000000 0.41614026928997 18.998 > 16 62 F 0.76132782094943 0.12500000000000 0.41614026928997 18.998 > 16 63 F 0.26132782094943 0.62500000000000 0.41614026928997 18.998 > 16 64 F 0.76132782094943 0.62500000000000 0.41614026928997 18.998 > 16 *65 F 0.15473986647861 0.12500000000000 0.93234569832107 18.998 > 17 66 F 0.65473986647861 0.12500000000000 0.93234569832107 18.998 > 17 67 F 0.15473986647861 0.62500000000000 0.93234569832107 18.998 > 17 68 F 0.65473986647861 0.62500000000000 0.93234569832107 18.998 > 17 69 F 0.34526013352139 0.37500000000000 0.06765430167893 18.998 > 18 70 F 0.84526013352139 0.37500000000000 0.06765430167893 18.998 > 18 71 F 0.34526013352139 0.87500000000000 0.06765430167893 18.998 > 18 72 F 0.84526013352139 0.87500000000000 0.06765430167893 18.998 > 18 73 F 0.09526013352139 0.37500000000000 0.43234569832107 18.998 > 19 74 F 0.59526013352139 0.37500000000000 0.43234569832107 18.998 > 19 75 F 0.09526013352139 0.87500000000000 0.43234569832107 18.998 > 19 76 F 0.59526013352139 0.87500000000000 0.43234569832107 18.998 > 19 77 F 0.40473986647861 0.12500000000000 0.56765430167893 18.998 > 20 78 F 0.90473986647861 0.12500000000000 0.56765430167893 18.998 > 20 79 F 0.40473986647861 0.62500000000000 0.56765430167893 18.998 > 20 80 F 0.90473986647861 0.62500000000000 0.56765430167893 18.998 > 20 *81 K 0.24368280118710 0.12500000000000 0.69127371428483 39.098 > 21 82 K 0.74368280118710 0.12500000000000 0.69127371428483 39.098 > 21 83 K 0.24368280118710 0.62500000000000 0.69127371428483 39.098 > 21 84 K 0.74368280118710 0.62500000000000 0.69127371428483 39.098 > 21 85 K 0.25631719881290 0.37500000000000 0.30872628571517 39.098 > 22 86 K 0.75631719881290 0.37500000000000 0.30872628571517 39.098 > 22 87 K 0.25631719881290 0.87500000000000 0.30872628571517 39.098 > 22 88 K 0.75631719881290 0.87500000000000 0.30872628571517 39.098 > 22 89 K 0.00631719881290 0.37500000000000 0.19127371428484 39.098 > 23 90 K 0.50631719881290 0.37500000000000 0.19127371428484 39.098 > 23 91 K 0.00631719881290 0.87500000000000 0.19127371428484 39.098 > 23 92 K 0.50631719881290 0.87500000000000 0.19127371428484 39.098 > 23 93 K 0.49368280118710 0.12500000000000 0.80872628571517 39.098 > 24 94 K 0.99368280118710 0.12500000000000 0.80872628571517 39.098 > 24 95 K 0.49368280118710 0.62500000000000 0.80872628571517 39.098 > 24 96 K 0.99368280118710 0.62500000000000 0.80872628571517 39.098 > 24 *97 K 0.32899702828755 0.12500000000000 0.09026284026478 39.098 > 25 98 K 0.82899702828755 0.12500000000000 0.09026284026478 39.098 > 25 99 K 0.32899702828755 0.62500000000000 0.09026284026478 39.098 > 25 100 K 0.82899702828755 0.62500000000000 0.09026284026478 39.098 > 25 101 K 0.17100297171245 0.37500000000000 0.90973715973522 39.098 > 26 102 K 0.67100297171245 0.37500000000000 0.90973715973522 39.098 > 26 103 K 0.17100297171245 0.87500000000000 0.90973715973522 39.098 > 26 104 K 0.67100297171245 0.87500000000000 0.90973715973522 39.098 > 26 105 K 0.42100297171245 0.37500000000000 0.59026284026478 39.098 > 27 106 K 0.92100297171245 0.37500000000000 0.59026284026478 39.098 > 27 107 K 0.42100297171245 0.87500000000000 0.59026284026478 39.098 > 27 108 K 0.92100297171245 0.87500000000000 0.59026284026478 39.098 > 27 109 K 0.07899702828755 0.12500000000000 0.40973715973523 39.098 > 28 110 K 0.57899702828755 0.12500000000000 0.40973715973523 39.098 > 28 111 K 0.07899702828755 0.62500000000000 0.40973715973523 39.098 > 28 112 K 0.57899702828755 0.62500000000000 0.40973715973523 39.098 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9897924 0.0000000 0.0000000 0.0000000 1.9677276 0.0000000 0.0000000 0.0000000 1.9728428 -------------------------- Born effective charges -------------------------- 1 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 2 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 3 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 4 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 5 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 6 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 7 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 8 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 9 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 10 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 11 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 12 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 13 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 14 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 15 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 16 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 17 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 18 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 19 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 20 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 21 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 22 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 23 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 24 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 25 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 26 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 27 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 28 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.411 Solver_block: 200 / 480 - Time: 0.385 Solver_block: 300 / 480 - Time: 0.383 Solver_block: 400 / 480 - Time: 0.384 Solver_block: 480 / 480 - Time: 0.344 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.949 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:42:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:52]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.341611879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.679523630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): 1 Be 0.73353449574759 0.25000000000000 0.41986992323203 9.012 2 Be 0.26646550425241 0.75000000000000 0.58013007676797 9.012 3 Be 0.76646550425241 0.75000000000000 0.91986992323203 9.012 4 Be 0.23353449574759 0.25000000000000 0.08013007676797 9.012 5 F 0.80885595992459 0.47362357192077 0.34798605279220 18.998 6 F 0.19114404007541 0.97362357192077 0.65201394720780 18.998 7 F 0.69114404007541 0.97362357192077 0.84798605279220 18.998 8 F 0.30885595992458 0.47362357192077 0.15201394720780 18.998 9 F 0.30885595992458 0.02637642807923 0.15201394720780 18.998 10 F 0.69114404007541 0.52637642807923 0.84798605279220 18.998 11 F 0.19114404007541 0.52637642807923 0.65201394720780 18.998 12 F 0.80885595992459 0.02637642807923 0.34798605279220 18.998 13 F 0.02265564189886 0.25000000000000 0.08385973071003 18.998 14 F 0.97734435810114 0.75000000000000 0.91614026928996 18.998 15 F 0.47734435810114 0.75000000000000 0.58385973071004 18.998 16 F 0.52265564189886 0.25000000000000 0.41614026928997 18.998 17 F 0.30947973295722 0.25000000000000 0.93234569832107 18.998 18 F 0.69052026704278 0.75000000000000 0.06765430167893 18.998 19 F 0.19052026704278 0.75000000000000 0.43234569832107 18.998 20 F 0.80947973295722 0.25000000000000 0.56765430167893 18.998 21 K 0.48736560237419 0.25000000000000 0.69127371428483 39.098 22 K 0.51263439762581 0.75000000000000 0.30872628571517 39.098 23 K 0.01263439762581 0.75000000000000 0.19127371428484 39.098 24 K 0.98736560237419 0.25000000000000 0.80872628571517 39.098 25 K 0.65799405657509 0.25000000000000 0.09026284026478 39.098 26 K 0.34200594342491 0.75000000000000 0.90973715973522 39.098 27 K 0.84200594342491 0.75000000000000 0.59026284026478 39.098 28 K 0.15799405657509 0.25000000000000 0.40973715973523 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.683223759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.359047260000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): 1 Be 0.36676724787379 0.12500000000000 0.41986992323203 9.012 > 1 2 Be 0.86676724787379 0.12500000000000 0.41986992323203 9.012 > 1 3 Be 0.36676724787379 0.62500000000000 0.41986992323203 9.012 > 1 4 Be 0.86676724787379 0.62500000000000 0.41986992323203 9.012 > 1 5 Be 0.13323275212621 0.37500000000000 0.58013007676797 9.012 > 5 6 Be 0.63323275212621 0.37500000000000 0.58013007676797 9.012 > 5 7 Be 0.13323275212621 0.87500000000000 0.58013007676797 9.012 > 5 8 Be 0.63323275212621 0.87500000000000 0.58013007676797 9.012 > 5 9 Be 0.38323275212621 0.37500000000000 0.91986992323203 9.012 > 9 10 Be 0.88323275212621 0.37500000000000 0.91986992323203 9.012 > 9 11 Be 0.38323275212621 0.87500000000000 0.91986992323203 9.012 > 9 12 Be 0.88323275212621 0.87500000000000 0.91986992323203 9.012 > 9 13 Be 0.11676724787379 0.12500000000000 0.08013007676797 9.012 > 13 14 Be 0.61676724787379 0.12500000000000 0.08013007676797 9.012 > 13 15 Be 0.11676724787379 0.62500000000000 0.08013007676797 9.012 > 13 16 Be 0.61676724787379 0.62500000000000 0.08013007676797 9.012 > 13 17 F 0.40442797996229 0.23681178596038 0.34798605279220 18.998 > 17 18 F 0.90442797996229 0.23681178596038 0.34798605279220 18.998 > 17 19 F 0.40442797996229 0.73681178596038 0.34798605279220 18.998 > 17 20 F 0.90442797996229 0.73681178596038 0.34798605279220 18.998 > 17 21 F 0.09557202003771 0.48681178596038 0.65201394720780 18.998 > 21 22 F 0.59557202003771 0.48681178596038 0.65201394720780 18.998 > 21 23 F 0.09557202003771 0.98681178596038 0.65201394720780 18.998 > 21 24 F 0.59557202003771 0.98681178596038 0.65201394720780 18.998 > 21 25 F 0.34557202003771 0.48681178596038 0.84798605279220 18.998 > 25 26 F 0.84557202003771 0.48681178596038 0.84798605279220 18.998 > 25 27 F 0.34557202003771 0.98681178596038 0.84798605279220 18.998 > 25 28 F 0.84557202003771 0.98681178596038 0.84798605279220 18.998 > 25 29 F 0.15442797996229 0.23681178596038 0.15201394720780 18.998 > 29 30 F 0.65442797996229 0.23681178596038 0.15201394720780 18.998 > 29 31 F 0.15442797996229 0.73681178596038 0.15201394720780 18.998 > 29 32 F 0.65442797996229 0.73681178596038 0.15201394720780 18.998 > 29 33 F 0.15442797996229 0.01318821403962 0.15201394720780 18.998 > 33 34 F 0.65442797996229 0.01318821403962 0.15201394720780 18.998 > 33 35 F 0.15442797996229 0.51318821403962 0.15201394720780 18.998 > 33 36 F 0.65442797996229 0.51318821403962 0.15201394720780 18.998 > 33 37 F 0.34557202003771 0.26318821403962 0.84798605279220 18.998 > 37 38 F 0.84557202003771 0.26318821403962 0.84798605279220 18.998 > 37 39 F 0.34557202003771 0.76318821403962 0.84798605279220 18.998 > 37 40 F 0.84557202003771 0.76318821403962 0.84798605279220 18.998 > 37 41 F 0.09557202003771 0.26318821403962 0.65201394720780 18.998 > 41 42 F 0.59557202003771 0.26318821403962 0.65201394720780 18.998 > 41 43 F 0.09557202003771 0.76318821403962 0.65201394720780 18.998 > 41 44 F 0.59557202003771 0.76318821403962 0.65201394720780 18.998 > 41 45 F 0.40442797996229 0.01318821403962 0.34798605279220 18.998 > 45 46 F 0.90442797996229 0.01318821403962 0.34798605279220 18.998 > 45 47 F 0.40442797996229 0.51318821403962 0.34798605279220 18.998 > 45 48 F 0.90442797996229 0.51318821403962 0.34798605279220 18.998 > 45 49 F 0.01132782094943 0.12500000000000 0.08385973071003 18.998 > 49 50 F 0.51132782094943 0.12500000000000 0.08385973071003 18.998 > 49 51 F 0.01132782094943 0.62500000000000 0.08385973071003 18.998 > 49 52 F 0.51132782094943 0.62500000000000 0.08385973071003 18.998 > 49 53 F 0.48867217905057 0.37500000000000 0.91614026928996 18.998 > 53 54 F 0.98867217905057 0.37500000000000 0.91614026928996 18.998 > 53 55 F 0.48867217905057 0.87500000000000 0.91614026928996 18.998 > 53 56 F 0.98867217905057 0.87500000000000 0.91614026928996 18.998 > 53 57 F 0.23867217905057 0.37500000000000 0.58385973071004 18.998 > 57 58 F 0.73867217905057 0.37500000000000 0.58385973071004 18.998 > 57 59 F 0.23867217905057 0.87500000000000 0.58385973071004 18.998 > 57 60 F 0.73867217905057 0.87500000000000 0.58385973071004 18.998 > 57 61 F 0.26132782094943 0.12500000000000 0.41614026928997 18.998 > 61 62 F 0.76132782094943 0.12500000000000 0.41614026928997 18.998 > 61 63 F 0.26132782094943 0.62500000000000 0.41614026928997 18.998 > 61 64 F 0.76132782094943 0.62500000000000 0.41614026928997 18.998 > 61 65 F 0.15473986647861 0.12500000000000 0.93234569832107 18.998 > 65 66 F 0.65473986647861 0.12500000000000 0.93234569832107 18.998 > 65 67 F 0.15473986647861 0.62500000000000 0.93234569832107 18.998 > 65 68 F 0.65473986647861 0.62500000000000 0.93234569832107 18.998 > 65 69 F 0.34526013352139 0.37500000000000 0.06765430167893 18.998 > 69 70 F 0.84526013352139 0.37500000000000 0.06765430167893 18.998 > 69 71 F 0.34526013352139 0.87500000000000 0.06765430167893 18.998 > 69 72 F 0.84526013352139 0.87500000000000 0.06765430167893 18.998 > 69 73 F 0.09526013352139 0.37500000000000 0.43234569832107 18.998 > 73 74 F 0.59526013352139 0.37500000000000 0.43234569832107 18.998 > 73 75 F 0.09526013352139 0.87500000000000 0.43234569832107 18.998 > 73 76 F 0.59526013352139 0.87500000000000 0.43234569832107 18.998 > 73 77 F 0.40473986647861 0.12500000000000 0.56765430167893 18.998 > 77 78 F 0.90473986647861 0.12500000000000 0.56765430167893 18.998 > 77 79 F 0.40473986647861 0.62500000000000 0.56765430167893 18.998 > 77 80 F 0.90473986647861 0.62500000000000 0.56765430167893 18.998 > 77 81 K 0.24368280118710 0.12500000000000 0.69127371428483 39.098 > 81 82 K 0.74368280118710 0.12500000000000 0.69127371428483 39.098 > 81 83 K 0.24368280118710 0.62500000000000 0.69127371428483 39.098 > 81 84 K 0.74368280118710 0.62500000000000 0.69127371428483 39.098 > 81 85 K 0.25631719881290 0.37500000000000 0.30872628571517 39.098 > 85 86 K 0.75631719881290 0.37500000000000 0.30872628571517 39.098 > 85 87 K 0.25631719881290 0.87500000000000 0.30872628571517 39.098 > 85 88 K 0.75631719881290 0.87500000000000 0.30872628571517 39.098 > 85 89 K 0.00631719881290 0.37500000000000 0.19127371428484 39.098 > 89 90 K 0.50631719881290 0.37500000000000 0.19127371428484 39.098 > 89 91 K 0.00631719881290 0.87500000000000 0.19127371428484 39.098 > 89 92 K 0.50631719881290 0.87500000000000 0.19127371428484 39.098 > 89 93 K 0.49368280118710 0.12500000000000 0.80872628571517 39.098 > 93 94 K 0.99368280118710 0.12500000000000 0.80872628571517 39.098 > 93 95 K 0.49368280118710 0.62500000000000 0.80872628571517 39.098 > 93 96 K 0.99368280118710 0.62500000000000 0.80872628571517 39.098 > 93 97 K 0.32899702828755 0.12500000000000 0.09026284026478 39.098 > 97 98 K 0.82899702828755 0.12500000000000 0.09026284026478 39.098 > 97 99 K 0.32899702828755 0.62500000000000 0.09026284026478 39.098 > 97 100 K 0.82899702828755 0.62500000000000 0.09026284026478 39.098 > 97 101 K 0.17100297171245 0.37500000000000 0.90973715973522 39.098 > 101 102 K 0.67100297171245 0.37500000000000 0.90973715973522 39.098 > 101 103 K 0.17100297171245 0.87500000000000 0.90973715973522 39.098 > 101 104 K 0.67100297171245 0.87500000000000 0.90973715973522 39.098 > 101 105 K 0.42100297171245 0.37500000000000 0.59026284026478 39.098 > 105 106 K 0.92100297171245 0.37500000000000 0.59026284026478 39.098 > 105 107 K 0.42100297171245 0.87500000000000 0.59026284026478 39.098 > 105 108 K 0.92100297171245 0.87500000000000 0.59026284026478 39.098 > 105 109 K 0.07899702828755 0.12500000000000 0.40973715973523 39.098 > 109 110 K 0.57899702828755 0.12500000000000 0.40973715973523 39.098 > 109 111 K 0.07899702828755 0.62500000000000 0.40973715973523 39.098 > 109 112 K 0.57899702828755 0.62500000000000 0.40973715973523 39.098 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9897924 0.0000000 0.0000000 0.0000000 1.9677276 0.0000000 0.0000000 0.0000000 1.9728428 -------------------------- Born effective charges -------------------------- 1 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 2 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 3 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 4 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 5 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 6 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 7 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 8 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 9 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 10 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 11 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 12 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 13 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 14 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 15 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 16 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 17 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 18 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 19 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 20 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 21 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 22 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 23 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 24 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 25 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 26 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 27 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 28 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:43:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:43:12]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.341611879999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.679523630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): 1 Be 0.73353449574759 0.25000000000000 0.41986992323203 9.012 2 Be 0.26646550425241 0.75000000000000 0.58013007676797 9.012 3 Be 0.76646550425241 0.75000000000000 0.91986992323203 9.012 4 Be 0.23353449574759 0.25000000000000 0.08013007676797 9.012 5 F 0.80885595992459 0.47362357192077 0.34798605279220 18.998 6 F 0.19114404007541 0.97362357192077 0.65201394720780 18.998 7 F 0.69114404007541 0.97362357192077 0.84798605279220 18.998 8 F 0.30885595992458 0.47362357192077 0.15201394720780 18.998 9 F 0.30885595992458 0.02637642807923 0.15201394720780 18.998 10 F 0.69114404007541 0.52637642807923 0.84798605279220 18.998 11 F 0.19114404007541 0.52637642807923 0.65201394720780 18.998 12 F 0.80885595992459 0.02637642807923 0.34798605279220 18.998 13 F 0.02265564189886 0.25000000000000 0.08385973071003 18.998 14 F 0.97734435810114 0.75000000000000 0.91614026928996 18.998 15 F 0.47734435810114 0.75000000000000 0.58385973071004 18.998 16 F 0.52265564189886 0.25000000000000 0.41614026928997 18.998 17 F 0.30947973295722 0.25000000000000 0.93234569832107 18.998 18 F 0.69052026704278 0.75000000000000 0.06765430167893 18.998 19 F 0.19052026704278 0.75000000000000 0.43234569832107 18.998 20 F 0.80947973295722 0.25000000000000 0.56765430167893 18.998 21 K 0.48736560237419 0.25000000000000 0.69127371428483 39.098 22 K 0.51263439762581 0.75000000000000 0.30872628571517 39.098 23 K 0.01263439762581 0.75000000000000 0.19127371428484 39.098 24 K 0.98736560237419 0.25000000000000 0.80872628571517 39.098 25 K 0.65799405657509 0.25000000000000 0.09026284026478 39.098 26 K 0.34200594342491 0.75000000000000 0.90973715973522 39.098 27 K 0.84200594342491 0.75000000000000 0.59026284026478 39.098 28 K 0.15799405657509 0.25000000000000 0.40973715973523 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.683223759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.359047260000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.916759149999999 Atomic positions (fractional): 1 Be 0.36676724787379 0.12500000000000 0.41986992323203 9.012 > 1 2 Be 0.86676724787379 0.12500000000000 0.41986992323203 9.012 > 1 3 Be 0.36676724787379 0.62500000000000 0.41986992323203 9.012 > 1 4 Be 0.86676724787379 0.62500000000000 0.41986992323203 9.012 > 1 5 Be 0.13323275212621 0.37500000000000 0.58013007676797 9.012 > 5 6 Be 0.63323275212621 0.37500000000000 0.58013007676797 9.012 > 5 7 Be 0.13323275212621 0.87500000000000 0.58013007676797 9.012 > 5 8 Be 0.63323275212621 0.87500000000000 0.58013007676797 9.012 > 5 9 Be 0.38323275212621 0.37500000000000 0.91986992323203 9.012 > 9 10 Be 0.88323275212621 0.37500000000000 0.91986992323203 9.012 > 9 11 Be 0.38323275212621 0.87500000000000 0.91986992323203 9.012 > 9 12 Be 0.88323275212621 0.87500000000000 0.91986992323203 9.012 > 9 13 Be 0.11676724787379 0.12500000000000 0.08013007676797 9.012 > 13 14 Be 0.61676724787379 0.12500000000000 0.08013007676797 9.012 > 13 15 Be 0.11676724787379 0.62500000000000 0.08013007676797 9.012 > 13 16 Be 0.61676724787379 0.62500000000000 0.08013007676797 9.012 > 13 17 F 0.40442797996229 0.23681178596038 0.34798605279220 18.998 > 17 18 F 0.90442797996229 0.23681178596038 0.34798605279220 18.998 > 17 19 F 0.40442797996229 0.73681178596038 0.34798605279220 18.998 > 17 20 F 0.90442797996229 0.73681178596038 0.34798605279220 18.998 > 17 21 F 0.09557202003771 0.48681178596038 0.65201394720780 18.998 > 21 22 F 0.59557202003771 0.48681178596038 0.65201394720780 18.998 > 21 23 F 0.09557202003771 0.98681178596038 0.65201394720780 18.998 > 21 24 F 0.59557202003771 0.98681178596038 0.65201394720780 18.998 > 21 25 F 0.34557202003771 0.48681178596038 0.84798605279220 18.998 > 25 26 F 0.84557202003771 0.48681178596038 0.84798605279220 18.998 > 25 27 F 0.34557202003771 0.98681178596038 0.84798605279220 18.998 > 25 28 F 0.84557202003771 0.98681178596038 0.84798605279220 18.998 > 25 29 F 0.15442797996229 0.23681178596038 0.15201394720780 18.998 > 29 30 F 0.65442797996229 0.23681178596038 0.15201394720780 18.998 > 29 31 F 0.15442797996229 0.73681178596038 0.15201394720780 18.998 > 29 32 F 0.65442797996229 0.73681178596038 0.15201394720780 18.998 > 29 33 F 0.15442797996229 0.01318821403962 0.15201394720780 18.998 > 33 34 F 0.65442797996229 0.01318821403962 0.15201394720780 18.998 > 33 35 F 0.15442797996229 0.51318821403962 0.15201394720780 18.998 > 33 36 F 0.65442797996229 0.51318821403962 0.15201394720780 18.998 > 33 37 F 0.34557202003771 0.26318821403962 0.84798605279220 18.998 > 37 38 F 0.84557202003771 0.26318821403962 0.84798605279220 18.998 > 37 39 F 0.34557202003771 0.76318821403962 0.84798605279220 18.998 > 37 40 F 0.84557202003771 0.76318821403962 0.84798605279220 18.998 > 37 41 F 0.09557202003771 0.26318821403962 0.65201394720780 18.998 > 41 42 F 0.59557202003771 0.26318821403962 0.65201394720780 18.998 > 41 43 F 0.09557202003771 0.76318821403962 0.65201394720780 18.998 > 41 44 F 0.59557202003771 0.76318821403962 0.65201394720780 18.998 > 41 45 F 0.40442797996229 0.01318821403962 0.34798605279220 18.998 > 45 46 F 0.90442797996229 0.01318821403962 0.34798605279220 18.998 > 45 47 F 0.40442797996229 0.51318821403962 0.34798605279220 18.998 > 45 48 F 0.90442797996229 0.51318821403962 0.34798605279220 18.998 > 45 49 F 0.01132782094943 0.12500000000000 0.08385973071003 18.998 > 49 50 F 0.51132782094943 0.12500000000000 0.08385973071003 18.998 > 49 51 F 0.01132782094943 0.62500000000000 0.08385973071003 18.998 > 49 52 F 0.51132782094943 0.62500000000000 0.08385973071003 18.998 > 49 53 F 0.48867217905057 0.37500000000000 0.91614026928996 18.998 > 53 54 F 0.98867217905057 0.37500000000000 0.91614026928996 18.998 > 53 55 F 0.48867217905057 0.87500000000000 0.91614026928996 18.998 > 53 56 F 0.98867217905057 0.87500000000000 0.91614026928996 18.998 > 53 57 F 0.23867217905057 0.37500000000000 0.58385973071004 18.998 > 57 58 F 0.73867217905057 0.37500000000000 0.58385973071004 18.998 > 57 59 F 0.23867217905057 0.87500000000000 0.58385973071004 18.998 > 57 60 F 0.73867217905057 0.87500000000000 0.58385973071004 18.998 > 57 61 F 0.26132782094943 0.12500000000000 0.41614026928997 18.998 > 61 62 F 0.76132782094943 0.12500000000000 0.41614026928997 18.998 > 61 63 F 0.26132782094943 0.62500000000000 0.41614026928997 18.998 > 61 64 F 0.76132782094943 0.62500000000000 0.41614026928997 18.998 > 61 65 F 0.15473986647861 0.12500000000000 0.93234569832107 18.998 > 65 66 F 0.65473986647861 0.12500000000000 0.93234569832107 18.998 > 65 67 F 0.15473986647861 0.62500000000000 0.93234569832107 18.998 > 65 68 F 0.65473986647861 0.62500000000000 0.93234569832107 18.998 > 65 69 F 0.34526013352139 0.37500000000000 0.06765430167893 18.998 > 69 70 F 0.84526013352139 0.37500000000000 0.06765430167893 18.998 > 69 71 F 0.34526013352139 0.87500000000000 0.06765430167893 18.998 > 69 72 F 0.84526013352139 0.87500000000000 0.06765430167893 18.998 > 69 73 F 0.09526013352139 0.37500000000000 0.43234569832107 18.998 > 73 74 F 0.59526013352139 0.37500000000000 0.43234569832107 18.998 > 73 75 F 0.09526013352139 0.87500000000000 0.43234569832107 18.998 > 73 76 F 0.59526013352139 0.87500000000000 0.43234569832107 18.998 > 73 77 F 0.40473986647861 0.12500000000000 0.56765430167893 18.998 > 77 78 F 0.90473986647861 0.12500000000000 0.56765430167893 18.998 > 77 79 F 0.40473986647861 0.62500000000000 0.56765430167893 18.998 > 77 80 F 0.90473986647861 0.62500000000000 0.56765430167893 18.998 > 77 81 K 0.24368280118710 0.12500000000000 0.69127371428483 39.098 > 81 82 K 0.74368280118710 0.12500000000000 0.69127371428483 39.098 > 81 83 K 0.24368280118710 0.62500000000000 0.69127371428483 39.098 > 81 84 K 0.74368280118710 0.62500000000000 0.69127371428483 39.098 > 81 85 K 0.25631719881290 0.37500000000000 0.30872628571517 39.098 > 85 86 K 0.75631719881290 0.37500000000000 0.30872628571517 39.098 > 85 87 K 0.25631719881290 0.87500000000000 0.30872628571517 39.098 > 85 88 K 0.75631719881290 0.87500000000000 0.30872628571517 39.098 > 85 89 K 0.00631719881290 0.37500000000000 0.19127371428484 39.098 > 89 90 K 0.50631719881290 0.37500000000000 0.19127371428484 39.098 > 89 91 K 0.00631719881290 0.87500000000000 0.19127371428484 39.098 > 89 92 K 0.50631719881290 0.87500000000000 0.19127371428484 39.098 > 89 93 K 0.49368280118710 0.12500000000000 0.80872628571517 39.098 > 93 94 K 0.99368280118710 0.12500000000000 0.80872628571517 39.098 > 93 95 K 0.49368280118710 0.62500000000000 0.80872628571517 39.098 > 93 96 K 0.99368280118710 0.62500000000000 0.80872628571517 39.098 > 93 97 K 0.32899702828755 0.12500000000000 0.09026284026478 39.098 > 97 98 K 0.82899702828755 0.12500000000000 0.09026284026478 39.098 > 97 99 K 0.32899702828755 0.62500000000000 0.09026284026478 39.098 > 97 100 K 0.82899702828755 0.62500000000000 0.09026284026478 39.098 > 97 101 K 0.17100297171245 0.37500000000000 0.90973715973522 39.098 > 101 102 K 0.67100297171245 0.37500000000000 0.90973715973522 39.098 > 101 103 K 0.17100297171245 0.87500000000000 0.90973715973522 39.098 > 101 104 K 0.67100297171245 0.87500000000000 0.90973715973522 39.098 > 101 105 K 0.42100297171245 0.37500000000000 0.59026284026478 39.098 > 105 106 K 0.92100297171245 0.37500000000000 0.59026284026478 39.098 > 105 107 K 0.42100297171245 0.87500000000000 0.59026284026478 39.098 > 105 108 K 0.92100297171245 0.87500000000000 0.59026284026478 39.098 > 105 109 K 0.07899702828755 0.12500000000000 0.40973715973523 39.098 > 109 110 K 0.57899702828755 0.12500000000000 0.40973715973523 39.098 > 109 111 K 0.07899702828755 0.62500000000000 0.40973715973523 39.098 > 109 112 K 0.57899702828755 0.62500000000000 0.40973715973523 39.098 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9897924 0.0000000 0.0000000 0.0000000 1.9677276 0.0000000 0.0000000 0.0000000 1.9728428 -------------------------- Born effective charges -------------------------- 1 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 2 Be 1.7038597 0.0000000 0.0073564 0.0000000 1.6845490 0.0000000 0.0023803 0.0000000 1.6502066 3 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 4 Be 1.7038597 0.0000000 -0.0073564 0.0000000 1.6845490 0.0000000 -0.0023803 0.0000000 1.6502066 5 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 6 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 7 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 8 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 9 F -0.9426813 0.1012657 -0.0600904 0.1075676 -1.1469216 0.1724882 -0.0594165 0.1720019 -0.9506301 10 F -0.9426813 -0.1012657 -0.0600904 -0.1075676 -1.1469216 -0.1724882 -0.0594165 -0.1720019 -0.9506301 11 F -0.9426813 -0.1012657 0.0600904 -0.1075676 -1.1469216 0.1724882 0.0594165 0.1720019 -0.9506301 12 F -0.9426813 0.1012657 0.0600904 0.1075676 -1.1469216 -0.1724882 0.0594165 -0.1720019 -0.9506301 13 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 14 F -1.3170815 0.0000000 -0.0105014 0.0000000 -0.8330453 0.0000000 -0.0122957 0.0000000 -0.8655398 15 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 16 F -1.3170815 0.0000000 0.0105014 0.0000000 -0.8330453 0.0000000 0.0122957 0.0000000 -0.8655398 17 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 18 F -0.9294935 0.0000000 0.1191762 0.0000000 -0.8830116 0.0000000 0.1199658 0.0000000 -1.2392449 19 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 20 F -0.9294935 0.0000000 -0.1191762 0.0000000 -0.8830116 0.0000000 -0.1199658 0.0000000 -1.2392449 21 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 22 K 1.2010564 0.0000000 0.0036299 0.0000000 1.1457976 0.0000000 0.0070962 0.0000000 1.1950328 23 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 24 K 1.2010564 0.0000000 -0.0036299 0.0000000 1.1457976 0.0000000 -0.0070962 0.0000000 1.1950328 25 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 26 K 1.2270216 0.0000000 0.0080972 0.0000000 1.1795535 0.0000000 0.0113785 0.0000000 1.1608056 27 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 28 K 1.2270216 0.0000000 -0.0080972 0.0000000 1.1795535 0.0000000 -0.0113785 0.0000000 1.1608056 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 5 ] 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: 0.56, Number of G-points: 313, Lambda: 0.08 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.922 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 10.993 ( 0.000 0.000 0.000) 0.000 11.001 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 16.347 ( 0.000 0.000 0.000) 0.000 16.391 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.420 ( 0.000 0.000 0.000) 0.000 23.465 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.909 ( 0.000 0.000 0.000) 0.000 23.976 ( 0.000 0.000 0.000) 0.000 24.013 ( 0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.532 ( 0.000 0.000 0.000) 0.000 24.975 ( 0.000 0.000 0.000) 0.000 25.129 ( 0.000 0.000 0.000) 0.000 25.402 ( 0.000 0.000 0.000) 0.000 25.751 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 25.663 0.000 0.000) 25.663 0.532 ( 27.110 0.000 0.000) 27.110 0.806 ( -6.513 0.000 0.000) 6.513 0.961 ( 48.434 0.000 0.000) 48.434 1.421 ( -6.788 0.000 0.000) 6.788 1.434 ( 15.594 0.000 0.000) 15.594 1.727 ( 4.798 0.000 0.000) 4.798 1.787 ( 4.584 0.000 0.000) 4.584 1.969 ( 3.542 0.000 0.000) 3.542 2.076 ( 0.502 0.000 0.000) 0.502 2.092 ( 9.561 0.000 0.000) 9.561 2.398 ( -0.648 0.000 0.000) 0.648 2.456 ( -0.050 0.000 0.000) 0.050 2.578 ( -0.437 0.000 0.000) 0.437 2.598 ( 0.117 0.000 0.000) 0.117 2.697 ( 0.583 0.000 0.000) 0.583 2.820 ( -13.844 0.000 0.000) 13.844 2.822 ( -0.260 0.000 0.000) 0.260 2.992 ( -1.091 0.000 0.000) 1.091 2.995 ( -1.498 0.000 0.000) 1.498 3.056 ( -7.369 0.000 0.000) 7.369 3.280 ( 9.140 0.000 0.000) 9.140 3.282 ( 2.909 0.000 0.000) 2.909 3.465 ( 3.992 0.000 0.000) 3.992 3.473 ( 1.007 0.000 0.000) 1.007 3.475 ( -2.339 0.000 0.000) 2.339 3.557 ( -3.502 0.000 0.000) 3.502 3.602 ( -5.355 0.000 0.000) 5.355 3.637 ( -0.666 0.000 0.000) 0.666 3.663 ( 3.700 0.000 0.000) 3.700 3.841 ( 1.863 0.000 0.000) 1.863 3.925 ( -6.840 0.000 0.000) 6.840 4.024 ( -1.273 0.000 0.000) 1.273 4.042 ( 6.250 0.000 0.000) 6.250 4.246 ( 5.427 0.000 0.000) 5.427 4.297 ( 5.347 0.000 0.000) 5.347 4.348 ( -0.250 0.000 0.000) 0.250 4.414 ( -1.391 0.000 0.000) 1.391 4.489 ( -9.837 0.000 0.000) 9.837 4.521 ( -0.730 0.000 0.000) 0.730 4.644 ( 6.070 0.000 0.000) 6.070 4.936 ( -9.525 0.000 0.000) 9.525 4.963 ( -3.287 0.000 0.000) 3.287 5.156 ( -2.735 0.000 0.000) 2.735 5.340 ( 1.927 0.000 0.000) 1.927 5.631 ( -4.444 0.000 0.000) 4.444 5.832 ( 12.566 0.000 0.000) 12.566 7.189 ( 1.079 0.000 0.000) 1.079 7.283 ( 1.394 0.000 0.000) 1.394 7.325 ( -8.342 0.000 0.000) 8.342 7.458 ( -0.895 0.000 0.000) 0.895 7.476 ( -1.051 0.000 0.000) 1.051 7.627 ( -1.473 0.000 0.000) 1.473 7.633 ( 7.799 0.000 0.000) 7.799 7.752 ( -3.215 0.000 0.000) 3.215 7.992 ( 1.988 0.000 0.000) 1.988 10.967 ( -1.982 0.000 0.000) 1.982 10.977 ( -0.309 0.000 0.000) 0.309 10.995 ( 0.195 0.000 0.000) 0.195 11.030 ( 1.077 0.000 0.000) 1.077 11.034 ( -0.210 0.000 0.000) 0.210 11.057 ( 2.333 0.000 0.000) 2.333 11.180 ( 0.151 0.000 0.000) 0.151 11.206 ( -0.120 0.000 0.000) 0.120 11.345 ( -3.764 0.000 0.000) 3.764 11.368 ( -2.242 0.000 0.000) 2.242 11.411 ( -1.002 0.000 0.000) 1.002 11.473 ( -4.705 0.000 0.000) 4.705 16.349 ( 0.260 0.000 0.000) 0.260 16.395 ( -0.598 0.000 0.000) 0.598 16.404 ( 1.198 0.000 0.000) 1.198 16.439 ( 1.249 0.000 0.000) 1.249 23.470 ( 0.543 0.000 0.000) 0.543 23.609 ( -1.622 0.000 0.000) 1.622 23.911 ( 0.911 0.000 0.000) 0.911 23.983 ( 0.694 0.000 0.000) 0.694 24.013 ( 0.016 0.000 0.000) 0.016 24.030 ( 0.046 0.000 0.000) 0.046 24.137 ( -0.800 0.000 0.000) 0.800 24.975 ( -12.758 0.000 0.000) 12.758 25.095 ( 11.078 0.000 0.000) 11.078 25.469 ( 5.936 0.000 0.000) 5.936 25.793 ( 4.275 0.000 0.000) 4.275 26.561 ( -3.296 0.000 0.000) 3.296 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.146 0.000 0.000) 1.146 0.954 ( 15.895 0.000 0.000) 15.895 1.048 ( 25.666 0.000 0.000) 25.666 1.317 ( 0.142 0.000 0.000) 0.142 1.732 ( 13.413 0.000 0.000) 13.413 1.808 ( 11.164 0.000 0.000) 11.164 1.873 ( 4.014 0.000 0.000) 4.014 1.883 ( 37.047 0.000 0.000) 37.047 2.058 ( 2.266 0.000 0.000) 2.266 2.101 ( 5.171 0.000 0.000) 5.171 2.285 ( 6.362 0.000 0.000) 6.362 2.362 ( -3.076 0.000 0.000) 3.076 2.471 ( 4.330 0.000 0.000) 4.330 2.511 ( -16.695 0.000 0.000) 16.695 2.512 ( -7.675 0.000 0.000) 7.675 2.596 ( -1.135 0.000 0.000) 1.135 2.721 ( 1.849 0.000 0.000) 1.849 2.835 ( 1.451 0.000 0.000) 1.451 2.924 ( -3.673 0.000 0.000) 3.673 2.957 ( -2.173 0.000 0.000) 2.173 2.965 ( -1.516 0.000 0.000) 1.516 3.248 ( -4.517 0.000 0.000) 4.517 3.391 ( -4.764 0.000 0.000) 4.764 3.452 ( -3.611 0.000 0.000) 3.611 3.497 ( -1.081 0.000 0.000) 1.081 3.524 ( 1.213 0.000 0.000) 1.213 3.540 ( 5.584 0.000 0.000) 5.584 3.569 ( 7.327 0.000 0.000) 7.327 3.606 ( -1.878 0.000 0.000) 1.878 3.707 ( 0.245 0.000 0.000) 0.245 3.806 ( -4.912 0.000 0.000) 4.912 3.866 ( -1.373 0.000 0.000) 1.373 4.062 ( 4.819 0.000 0.000) 4.819 4.144 ( -15.885 0.000 0.000) 15.885 4.198 ( 8.278 0.000 0.000) 8.278 4.326 ( -1.956 0.000 0.000) 1.956 4.344 ( 4.474 0.000 0.000) 4.474 4.371 ( -3.138 0.000 0.000) 3.138 4.432 ( 3.691 0.000 0.000) 3.691 4.500 ( -1.404 0.000 0.000) 1.404 4.765 ( 3.414 0.000 0.000) 3.414 4.852 ( 4.686 0.000 0.000) 4.686 4.944 ( -0.065 0.000 0.000) 0.065 5.092 ( -3.010 0.000 0.000) 3.010 5.317 ( -4.182 0.000 0.000) 4.182 5.496 ( -9.403 0.000 0.000) 9.403 6.112 ( 15.666 0.000 0.000) 15.666 7.100 ( -14.533 0.000 0.000) 14.533 7.219 ( 1.986 0.000 0.000) 1.986 7.312 ( 1.039 0.000 0.000) 1.039 7.443 ( -0.225 0.000 0.000) 0.225 7.477 ( 1.304 0.000 0.000) 1.304 7.586 ( -2.676 0.000 0.000) 2.676 7.677 ( -4.202 0.000 0.000) 4.202 7.795 ( 8.248 0.000 0.000) 8.248 8.024 ( 0.833 0.000 0.000) 0.833 10.937 ( -0.980 0.000 0.000) 0.980 10.969 ( -0.624 0.000 0.000) 0.624 11.001 ( 0.370 0.000 0.000) 0.370 11.028 ( -0.394 0.000 0.000) 0.394 11.057 ( 1.692 0.000 0.000) 1.692 11.098 ( 1.727 0.000 0.000) 1.727 11.185 ( 0.277 0.000 0.000) 0.277 11.203 ( -0.234 0.000 0.000) 0.234 11.266 ( -3.812 0.000 0.000) 3.812 11.315 ( -2.997 0.000 0.000) 2.997 11.365 ( -5.439 0.000 0.000) 5.439 11.377 ( -2.355 0.000 0.000) 2.355 16.358 ( 0.630 0.000 0.000) 0.630 16.387 ( -0.308 0.000 0.000) 0.308 16.431 ( 1.420 0.000 0.000) 1.420 16.460 ( 0.774 0.000 0.000) 0.774 23.485 ( 0.981 0.000 0.000) 0.981 23.571 ( -2.017 0.000 0.000) 2.017 23.971 ( 5.632 0.000 0.000) 5.632 24.000 ( 0.912 0.000 0.000) 0.912 24.014 ( 0.026 0.000 0.000) 0.026 24.034 ( 0.426 0.000 0.000) 0.426 24.115 ( -1.419 0.000 0.000) 1.419 24.691 ( -15.722 0.000 0.000) 15.722 25.337 ( 12.079 0.000 0.000) 12.079 25.566 ( 3.509 0.000 0.000) 3.509 25.916 ( 8.314 0.000 0.000) 8.314 26.464 ( -6.594 0.000 0.000) 6.594 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 6.728 0.000 0.000) 6.728 0.979 ( -6.960 0.000 0.000) 6.960 1.512 ( 21.192 0.000 0.000) 21.192 1.582 ( 20.612 0.000 0.000) 20.612 1.809 ( -7.371 0.000 0.000) 7.371 1.895 ( 0.077 0.000 0.000) 0.077 1.933 ( 1.835 0.000 0.000) 1.835 1.971 ( -9.656 0.000 0.000) 9.656 2.269 ( -3.886 0.000 0.000) 3.886 2.291 ( -3.641 0.000 0.000) 3.641 2.298 ( -1.334 0.000 0.000) 1.334 2.299 ( 11.884 0.000 0.000) 11.884 2.335 ( -6.775 0.000 0.000) 6.775 2.511 ( -8.188 0.000 0.000) 8.188 2.641 ( 9.185 0.000 0.000) 9.185 2.649 ( 31.897 0.000 0.000) 31.897 2.742 ( -0.920 0.000 0.000) 0.920 2.855 ( -0.238 0.000 0.000) 0.238 2.929 ( -0.322 0.000 0.000) 0.322 2.930 ( 5.603 0.000 0.000) 5.603 2.939 ( -1.047 0.000 0.000) 1.047 3.175 ( -3.440 0.000 0.000) 3.440 3.267 ( -4.768 0.000 0.000) 4.768 3.406 ( -0.260 0.000 0.000) 0.260 3.415 ( -22.311 0.000 0.000) 22.311 3.442 ( -3.334 0.000 0.000) 3.334 3.555 ( 1.543 0.000 0.000) 1.543 3.580 ( -1.080 0.000 0.000) 1.080 3.670 ( 1.054 0.000 0.000) 1.054 3.695 ( -2.189 0.000 0.000) 2.189 3.743 ( -0.015 0.000 0.000) 0.015 3.758 ( -0.182 0.000 0.000) 0.182 4.086 ( 5.104 0.000 0.000) 5.104 4.177 ( 6.314 0.000 0.000) 6.314 4.196 ( -5.515 0.000 0.000) 5.515 4.291 ( -5.084 0.000 0.000) 5.084 4.416 ( 8.210 0.000 0.000) 8.210 4.418 ( 3.084 0.000 0.000) 3.084 4.467 ( -2.064 0.000 0.000) 2.064 4.495 ( 0.767 0.000 0.000) 0.767 4.822 ( 3.795 0.000 0.000) 3.795 4.906 ( -4.062 0.000 0.000) 4.062 5.033 ( 11.136 0.000 0.000) 11.136 5.086 ( 2.978 0.000 0.000) 2.978 5.201 ( -6.572 0.000 0.000) 6.572 5.278 ( -12.253 0.000 0.000) 12.253 6.435 ( 17.387 0.000 0.000) 17.387 6.780 ( -17.672 0.000 0.000) 17.672 7.263 ( 2.417 0.000 0.000) 2.417 7.306 ( -1.629 0.000 0.000) 1.629 7.466 ( 2.541 0.000 0.000) 2.541 7.522 ( 3.181 0.000 0.000) 3.181 7.526 ( -3.276 0.000 0.000) 3.276 7.595 ( -4.134 0.000 0.000) 4.134 7.935 ( 5.774 0.000 0.000) 5.774 8.012 ( -2.200 0.000 0.000) 2.200 10.932 ( 0.494 0.000 0.000) 0.494 10.951 ( -1.157 0.000 0.000) 1.157 11.009 ( 0.486 0.000 0.000) 0.486 11.019 ( -0.498 0.000 0.000) 0.498 11.093 ( 1.820 0.000 0.000) 1.820 11.115 ( -0.131 0.000 0.000) 0.131 11.191 ( 0.339 0.000 0.000) 0.339 11.197 ( -0.318 0.000 0.000) 0.318 11.218 ( -0.657 0.000 0.000) 0.657 11.247 ( -3.378 0.000 0.000) 3.378 11.307 ( -0.348 0.000 0.000) 0.348 11.330 ( -2.183 0.000 0.000) 2.183 16.371 ( 0.612 0.000 0.000) 0.612 16.381 ( -0.371 0.000 0.000) 0.371 16.455 ( 0.969 0.000 0.000) 0.969 16.466 ( -0.128 0.000 0.000) 0.128 23.507 ( 1.302 0.000 0.000) 1.302 23.536 ( -1.627 0.000 0.000) 1.627 24.012 ( 0.258 0.000 0.000) 0.258 24.014 ( -0.005 0.000 0.000) 0.005 24.052 ( 1.425 0.000 0.000) 1.425 24.084 ( -1.702 0.000 0.000) 1.702 24.133 ( 10.955 0.000 0.000) 10.955 24.388 ( -14.817 0.000 0.000) 14.817 25.523 ( 6.628 0.000 0.000) 6.628 25.594 ( -0.847 0.000 0.000) 0.847 26.106 ( 10.631 0.000 0.000) 10.631 26.306 ( -9.518 0.000 0.000) 9.518 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 19.504 0.000) 19.504 0.518 ( 0.000 26.179 0.000) 26.179 0.838 ( 0.000 39.607 0.000) 39.607 1.105 ( 0.000 16.843 0.000) 16.843 1.330 ( 0.000 9.771 0.000) 9.771 1.644 ( 0.000 0.192 0.000) 0.192 1.856 ( 0.000 9.771 0.000) 9.771 1.856 ( 0.000 10.863 0.000) 10.863 1.974 ( 0.000 3.624 0.000) 3.624 2.073 ( 0.000 8.236 0.000) 8.236 2.150 ( 0.000 6.208 0.000) 6.208 2.296 ( 0.000 -7.071 0.000) 7.071 2.440 ( 0.000 -0.225 0.000) 0.225 2.631 ( 0.000 -4.810 0.000) 4.810 2.665 ( 0.000 10.010 0.000) 10.010 2.726 ( 0.000 0.441 0.000) 0.441 2.798 ( 0.000 -2.763 0.000) 2.763 2.967 ( 0.000 -2.438 0.000) 2.438 3.044 ( 0.000 4.860 0.000) 4.860 3.068 ( 0.000 4.947 0.000) 4.947 3.115 ( 0.000 -0.947 0.000) 0.947 3.171 ( 0.000 -6.359 0.000) 6.359 3.293 ( 0.000 8.098 0.000) 8.098 3.296 ( 0.000 -7.429 0.000) 7.429 3.469 ( 0.000 -5.441 0.000) 5.441 3.535 ( 0.000 -1.895 0.000) 1.895 3.628 ( 0.000 -1.690 0.000) 1.690 3.643 ( 0.000 1.057 0.000) 1.057 3.647 ( 0.000 2.892 0.000) 2.892 3.834 ( 0.000 3.863 0.000) 3.863 3.896 ( 0.000 0.198 0.000) 0.198 3.911 ( 0.000 -2.459 0.000) 2.459 4.042 ( 0.000 0.115 0.000) 0.115 4.103 ( 0.000 2.791 0.000) 2.791 4.112 ( 0.000 -3.959 0.000) 3.959 4.166 ( 0.000 5.603 0.000) 5.603 4.416 ( 0.000 5.367 0.000) 5.367 4.500 ( 0.000 -3.168 0.000) 3.168 4.571 ( 0.000 -0.639 0.000) 0.639 4.583 ( 0.000 0.552 0.000) 0.552 4.847 ( 0.000 -1.485 0.000) 1.485 5.048 ( 0.000 1.485 0.000) 1.485 5.168 ( 0.000 -1.360 0.000) 1.360 5.261 ( 0.000 -2.464 0.000) 2.464 5.511 ( 0.000 -3.578 0.000) 3.578 5.623 ( 0.000 -5.325 0.000) 5.325 5.672 ( 0.000 -0.412 0.000) 0.412 6.453 ( 0.000 -7.876 0.000) 7.876 7.228 ( 0.000 4.748 0.000) 4.748 7.293 ( 0.000 2.176 0.000) 2.176 7.416 ( 0.000 -3.310 0.000) 3.310 7.490 ( 0.000 0.553 0.000) 0.553 7.595 ( 0.000 4.390 0.000) 4.390 7.631 ( 0.000 -1.077 0.000) 1.077 7.771 ( 0.000 -1.510 0.000) 1.510 7.961 ( 0.000 -0.642 0.000) 0.642 10.937 ( 0.000 -3.127 0.000) 3.127 10.977 ( 0.000 -2.769 0.000) 2.769 10.980 ( 0.000 -0.067 0.000) 0.067 10.999 ( 0.000 -0.186 0.000) 0.186 11.090 ( 0.000 0.162 0.000) 0.162 11.091 ( 0.000 5.308 0.000) 5.308 11.188 ( 0.000 0.519 0.000) 0.519 11.231 ( 0.000 1.716 0.000) 1.716 11.311 ( 0.000 -0.406 0.000) 0.406 11.392 ( 0.000 0.196 0.000) 0.196 11.406 ( 0.000 1.614 0.000) 1.614 11.514 ( 0.000 -0.766 0.000) 0.766 16.344 ( 0.000 -0.291 0.000) 0.291 16.387 ( 0.000 -0.372 0.000) 0.372 16.399 ( 0.000 -0.848 0.000) 0.848 16.409 ( 0.000 -1.040 0.000) 1.040 23.467 ( 0.000 0.303 0.000) 0.303 23.617 ( 0.000 -0.828 0.000) 0.828 23.875 ( 0.000 -2.874 0.000) 2.874 24.051 ( 0.000 6.685 0.000) 6.685 24.073 ( 0.000 4.193 0.000) 4.193 24.146 ( 0.000 -0.267 0.000) 0.267 24.567 ( 0.000 3.327 0.000) 3.327 24.982 ( 0.000 0.786 0.000) 0.786 25.101 ( 0.000 -2.758 0.000) 2.758 25.361 ( 0.000 -3.464 0.000) 3.464 25.700 ( 0.000 -5.084 0.000) 5.084 26.053 ( 0.000 -0.961 0.000) 0.961 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 21.893 11.615 0.000) 24.783 0.673 ( 17.799 15.959 0.000) 23.906 0.996 ( -5.493 17.222 0.000) 18.077 1.300 ( 35.773 27.159 0.000) 44.914 1.539 ( 15.558 10.057 0.000) 18.526 1.567 ( -7.396 6.578 0.000) 9.898 1.798 ( 1.121 8.718 0.000) 8.790 1.938 ( 3.937 11.275 0.000) 11.943 2.031 ( 4.494 5.220 0.000) 6.888 2.125 ( 4.556 4.728 0.000) 6.566 2.181 ( 4.102 8.183 0.000) 9.154 2.325 ( 2.476 -5.291 0.000) 5.841 2.441 ( 0.187 -0.680 0.000) 0.705 2.612 ( -1.469 -2.681 0.000) 3.057 2.661 ( -0.957 8.003 0.000) 8.060 2.695 ( -2.004 0.197 0.000) 2.014 2.762 ( -5.483 -3.151 0.000) 6.324 2.851 ( -9.193 0.002 0.000) 9.193 3.008 ( -0.567 2.011 0.000) 2.089 3.067 ( -0.630 5.692 0.000) 5.727 3.099 ( -6.772 5.804 0.000) 8.919 3.232 ( 4.933 -5.429 0.000) 7.336 3.276 ( 6.727 0.675 0.000) 6.761 3.367 ( 3.915 -6.033 0.000) 7.192 3.460 ( -2.080 -3.764 0.000) 4.301 3.475 ( -3.887 -1.771 0.000) 4.272 3.582 ( -5.367 2.337 0.000) 5.853 3.658 ( 1.414 1.563 0.000) 2.108 3.676 ( 3.376 -1.785 0.000) 3.819 3.722 ( -10.326 7.101 0.000) 12.532 3.809 ( -2.949 0.196 0.000) 2.956 3.930 ( -5.128 0.720 0.000) 5.178 3.989 ( 4.279 -4.564 0.000) 6.256 4.088 ( 2.050 4.342 0.000) 4.802 4.169 ( 2.910 -4.959 0.000) 5.750 4.260 ( 2.792 0.681 0.000) 2.874 4.411 ( -2.078 3.874 0.000) 4.396 4.494 ( 0.334 -2.021 0.000) 2.048 4.524 ( -5.718 3.655 0.000) 6.787 4.615 ( 2.585 1.623 0.000) 3.052 4.720 ( -4.068 7.689 0.000) 8.699 4.999 ( -2.280 3.178 0.000) 3.911 5.020 ( -16.708 9.649 0.000) 19.294 5.142 ( -2.683 -1.355 0.000) 3.006 5.317 ( 1.585 -2.036 0.000) 2.581 5.581 ( -3.825 -4.513 0.000) 5.916 5.795 ( 10.287 -3.330 0.000) 10.813 6.865 ( 8.170 -28.458 0.000) 29.607 7.245 ( 1.697 5.252 0.000) 5.520 7.316 ( 2.326 2.624 0.000) 3.506 7.439 ( -0.058 -0.387 0.000) 0.391 7.518 ( 5.228 -2.195 0.000) 5.670 7.622 ( -0.946 -0.549 0.000) 1.094 7.666 ( 4.242 3.798 0.000) 5.694 7.741 ( -2.833 -1.001 0.000) 3.005 7.975 ( 1.146 -1.610 0.000) 1.976 10.924 ( -0.914 -2.725 0.000) 2.874 10.959 ( -0.770 -0.579 0.000) 0.963 10.995 ( 1.321 -2.330 0.000) 2.678 11.019 ( 1.179 -0.568 0.000) 1.309 11.073 ( -0.987 1.801 0.000) 2.053 11.089 ( -0.146 4.242 0.000) 4.245 11.186 ( -0.299 0.110 0.000) 0.318 11.232 ( 0.102 1.841 0.000) 1.844 11.339 ( -0.133 -2.179 0.000) 2.183 11.347 ( -2.647 -1.194 0.000) 2.904 11.380 ( -2.540 1.389 0.000) 2.895 11.465 ( -4.626 -0.687 0.000) 4.676 16.346 ( 0.267 -0.284 0.000) 0.389 16.387 ( -0.532 -0.782 0.000) 0.946 16.399 ( 1.107 -0.451 0.000) 1.195 16.428 ( 1.229 -1.061 0.000) 1.624 23.468 ( 0.323 0.086 0.000) 0.335 23.601 ( -1.515 -0.755 0.000) 1.693 23.886 ( 0.976 -2.433 0.000) 2.621 24.044 ( -0.001 5.571 0.000) 5.571 24.080 ( 0.858 5.006 0.000) 5.079 24.127 ( -1.809 -0.208 0.000) 1.821 24.294 ( -12.417 15.630 0.000) 19.962 24.992 ( -9.727 2.148 0.000) 9.961 25.096 ( 10.358 0.128 0.000) 10.359 25.412 ( 4.398 -5.599 0.000) 7.120 25.742 ( 4.388 -4.953 0.000) 6.617 26.307 ( 9.462 -14.953 0.000) 17.695 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 1.207 17.564 0.000) 17.605 1.066 ( 18.028 9.904 0.000) 20.569 1.123 ( 23.801 7.320 0.000) 24.901 1.421 ( -3.387 9.454 0.000) 10.042 1.844 ( 14.176 10.384 0.000) 17.572 1.851 ( 3.184 3.205 0.000) 4.518 1.988 ( 11.284 12.437 0.000) 16.793 2.080 ( 29.798 15.520 0.000) 33.598 2.129 ( 5.864 5.020 0.000) 7.719 2.173 ( 0.769 7.417 0.000) 7.456 2.312 ( 5.063 3.006 0.000) 5.888 2.353 ( -0.501 0.660 0.000) 0.829 2.464 ( -1.324 0.161 0.000) 1.334 2.522 ( -9.394 0.664 0.000) 9.417 2.578 ( -6.860 4.592 0.000) 8.255 2.592 ( -1.022 -1.376 0.000) 1.714 2.688 ( 0.692 -0.964 0.000) 1.187 2.782 ( -0.690 -3.798 0.000) 3.860 2.954 ( -5.644 5.335 0.000) 7.766 3.010 ( 0.578 3.682 0.000) 3.727 3.052 ( -0.867 7.445 0.000) 7.495 3.265 ( -2.823 1.093 0.000) 3.027 3.342 ( -4.066 -2.250 0.000) 4.648 3.409 ( 1.532 -6.327 0.000) 6.510 3.459 ( 0.936 -6.215 0.000) 6.285 3.483 ( -1.244 -0.398 0.000) 1.306 3.520 ( 1.678 -0.695 0.000) 1.816 3.575 ( 0.145 1.868 0.000) 1.874 3.678 ( 0.405 2.808 0.000) 2.837 3.698 ( -2.139 -0.480 0.000) 2.193 3.786 ( 2.404 -5.673 0.000) 6.161 3.818 ( -5.267 0.924 0.000) 5.348 4.103 ( 5.732 -8.133 0.000) 9.950 4.146 ( -13.973 2.347 0.000) 14.169 4.188 ( 5.639 4.909 0.000) 7.476 4.215 ( -6.296 -4.287 0.000) 7.617 4.247 ( -0.875 -3.239 0.000) 3.355 4.521 ( 3.699 5.510 0.000) 6.637 4.525 ( 2.549 1.488 0.000) 2.952 4.598 ( -3.060 11.550 0.000) 11.948 4.772 ( 3.269 0.980 0.000) 3.413 4.877 ( 3.177 3.864 0.000) 5.002 4.992 ( 0.088 4.235 0.000) 4.236 5.080 ( -2.700 -1.157 0.000) 2.937 5.303 ( -3.239 -1.151 0.000) 3.438 5.465 ( -8.153 -2.733 0.000) 8.599 6.026 ( 12.942 -7.956 0.000) 15.192 6.815 ( -9.245 -21.422 0.000) 23.332 7.292 ( 3.120 6.596 0.000) 7.297 7.373 ( 3.199 3.819 0.000) 4.982 7.454 ( 1.794 -0.040 0.000) 1.795 7.561 ( -1.502 5.036 0.000) 5.255 7.594 ( -1.910 0.721 0.000) 2.041 7.671 ( -4.149 -0.486 0.000) 4.177 7.768 ( 6.715 -1.633 0.000) 6.911 7.991 ( 0.185 -3.127 0.000) 3.133 10.911 ( -0.264 -1.993 0.000) 2.010 10.950 ( -0.429 -1.386 0.000) 1.451 11.017 ( 0.857 -0.568 0.000) 1.028 11.039 ( 0.400 0.146 0.000) 0.425 11.062 ( 0.324 0.956 0.000) 1.009 11.087 ( 0.012 1.010 0.000) 1.010 11.180 ( -0.065 -0.734 0.000) 0.737 11.235 ( 0.170 2.349 0.000) 2.355 11.261 ( -3.958 -0.336 0.000) 3.972 11.316 ( -3.873 0.374 0.000) 3.891 11.344 ( -0.766 -2.130 0.000) 2.264 11.361 ( -5.135 -0.328 0.000) 5.145 16.355 ( 0.607 -0.306 0.000) 0.680 16.380 ( -0.234 -0.638 0.000) 0.680 16.424 ( 1.324 -0.638 0.000) 1.469 16.449 ( 0.793 -1.066 0.000) 1.329 23.482 ( 1.026 -0.168 0.000) 1.040 23.567 ( -1.817 -0.413 0.000) 1.863 23.912 ( 1.871 -3.426 0.000) 3.903 24.056 ( 0.740 4.472 0.000) 4.533 24.084 ( -2.567 -1.326 0.000) 2.889 24.129 ( 4.819 7.587 0.000) 8.988 24.148 ( -4.422 9.417 0.000) 10.404 24.761 ( -13.317 7.202 0.000) 15.140 25.318 ( 10.848 -1.766 0.000) 10.991 25.495 ( 3.532 -6.869 0.000) 7.724 25.868 ( 8.423 -4.647 0.000) 9.620 26.352 ( -2.847 -9.702 0.000) 10.111 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 5.573 16.546 0.000) 17.459 1.140 ( -5.835 14.595 0.000) 15.718 1.563 ( 20.212 4.929 0.000) 20.805 1.634 ( 20.343 4.475 0.000) 20.829 1.842 ( -6.440 3.315 0.000) 7.243 1.991 ( -7.143 8.109 0.000) 10.806 2.060 ( 1.553 10.578 0.000) 10.691 2.070 ( -5.027 8.010 0.000) 9.457 2.261 ( -4.254 1.766 0.000) 4.606 2.268 ( -4.387 1.720 0.000) 4.712 2.322 ( 11.552 2.209 0.000) 11.761 2.360 ( 2.300 5.243 0.000) 5.726 2.428 ( -4.976 5.045 0.000) 7.086 2.518 ( -5.862 1.915 0.000) 6.167 2.631 ( 5.879 -1.369 0.000) 6.037 2.689 ( -1.026 -3.462 0.000) 3.611 2.755 ( 19.526 7.064 0.000) 20.765 2.798 ( 2.343 -2.620 0.000) 3.515 2.912 ( 4.878 4.597 0.000) 6.703 3.016 ( -0.763 5.711 0.000) 5.762 3.071 ( 5.134 9.310 0.000) 10.632 3.205 ( -2.164 3.101 0.000) 3.782 3.264 ( -2.650 -0.156 0.000) 2.655 3.370 ( -6.639 -3.143 0.000) 7.345 3.403 ( -2.239 -0.591 0.000) 2.315 3.448 ( -3.856 -3.362 0.000) 5.116 3.512 ( 0.369 -2.966 0.000) 2.989 3.594 ( -11.280 4.034 0.000) 11.980 3.691 ( 3.588 0.082 0.000) 3.589 3.703 ( 1.906 -2.440 0.000) 3.096 3.733 ( -4.869 1.663 0.000) 5.145 3.739 ( -2.611 -0.779 0.000) 2.725 3.960 ( 2.941 -6.779 0.000) 7.389 4.068 ( -6.859 -7.531 0.000) 10.186 4.204 ( 3.575 -11.281 0.000) 11.834 4.242 ( -0.242 -9.370 0.000) 9.373 4.360 ( 8.245 9.750 0.000) 12.769 4.504 ( -6.236 11.930 0.000) 13.462 4.583 ( 2.653 4.341 0.000) 5.087 4.591 ( 2.255 4.342 0.000) 4.892 4.838 ( 4.534 1.593 0.000) 4.806 4.938 ( -5.040 2.497 0.000) 5.625 5.039 ( 10.278 0.964 0.000) 10.323 5.092 ( 3.410 0.853 0.000) 3.515 5.208 ( -5.486 0.895 0.000) 5.558 5.273 ( -10.882 -0.215 0.000) 10.884 6.293 ( 14.462 -12.675 0.000) 19.230 6.577 ( -14.194 -17.019 0.000) 22.161 7.362 ( 3.775 8.265 0.000) 9.087 7.415 ( -0.307 7.404 0.000) 7.410 7.502 ( 2.732 1.101 0.000) 2.946 7.526 ( 0.220 3.054 0.000) 3.062 7.550 ( -2.539 2.149 0.000) 3.327 7.587 ( -4.291 -0.507 0.000) 4.321 7.893 ( 5.507 -3.917 0.000) 6.758 7.971 ( -2.422 -4.020 0.000) 4.693 10.916 ( 0.738 -1.474 0.000) 1.648 10.936 ( -1.074 -1.432 0.000) 1.790 11.027 ( 0.313 1.025 0.000) 1.072 11.034 ( -0.419 1.230 0.000) 1.299 11.082 ( 1.024 -1.268 0.000) 1.630 11.090 ( 0.104 -1.733 0.000) 1.736 11.189 ( 1.061 -0.019 0.000) 1.061 11.212 ( -0.589 -0.540 0.000) 0.799 11.223 ( -1.846 2.213 0.000) 2.882 11.239 ( -3.143 -0.762 0.000) 3.234 11.305 ( -0.339 0.020 0.000) 0.340 11.321 ( -1.371 -0.401 0.000) 1.429 16.367 ( 0.563 -0.382 0.000) 0.680 16.376 ( -0.305 -0.498 0.000) 0.584 16.447 ( 0.883 -0.828 0.000) 1.210 16.456 ( -0.067 -0.982 0.000) 0.985 23.505 ( 1.357 -0.136 0.000) 1.364 23.534 ( -1.565 -0.159 0.000) 1.573 23.960 ( 3.023 -5.036 0.000) 5.874 24.025 ( -3.388 -4.443 0.000) 5.588 24.070 ( 0.801 5.119 0.000) 5.182 24.092 ( -1.690 6.816 0.000) 7.022 24.273 ( 9.788 9.822 0.000) 13.866 24.499 ( -13.077 9.770 0.000) 16.324 25.480 ( 5.496 -4.069 0.000) 6.838 25.532 ( -0.092 -5.920 0.000) 5.920 26.056 ( 10.218 -4.801 0.000) 11.289 26.240 ( -8.124 -6.270 0.000) 10.263 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 17.944 0.000) 17.944 1.010 ( 0.000 23.486 0.000) 23.486 1.389 ( 0.000 12.174 0.000) 12.174 1.501 ( 0.000 22.046 0.000) 22.046 1.581 ( 0.000 15.267 0.000) 15.267 1.807 ( 0.000 19.273 0.000) 19.273 2.043 ( 0.000 6.200 0.000) 6.200 2.079 ( 0.000 7.214 0.000) 7.214 2.105 ( 0.000 15.879 0.000) 15.879 2.180 ( 0.000 -4.302 0.000) 4.302 2.181 ( 0.000 -3.448 0.000) 3.448 2.275 ( 0.000 11.292 0.000) 11.292 2.519 ( 0.000 6.885 0.000) 6.885 2.520 ( 0.000 -6.521 0.000) 6.521 2.733 ( 0.000 -3.660 0.000) 3.660 2.776 ( 0.000 5.627 0.000) 5.627 2.883 ( 0.000 9.892 0.000) 9.892 2.916 ( 0.000 -1.664 0.000) 1.664 3.006 ( 0.000 -9.000 0.000) 9.000 3.071 ( 0.000 -2.781 0.000) 2.781 3.122 ( 0.000 -0.958 0.000) 0.958 3.153 ( 0.000 -7.214 0.000) 7.214 3.165 ( 0.000 6.981 0.000) 6.981 3.438 ( 0.000 3.795 0.000) 3.795 3.445 ( 0.000 -6.841 0.000) 6.841 3.474 ( 0.000 8.723 0.000) 8.723 3.517 ( 0.000 -8.248 0.000) 8.248 3.676 ( 0.000 -1.787 0.000) 1.787 3.697 ( 0.000 4.165 0.000) 4.165 3.897 ( 0.000 -0.291 0.000) 0.291 3.907 ( 0.000 5.733 0.000) 5.733 3.934 ( 0.000 3.971 0.000) 3.971 4.038 ( 0.000 -3.935 0.000) 3.935 4.047 ( 0.000 0.552 0.000) 0.552 4.150 ( 0.000 1.730 0.000) 1.730 4.287 ( 0.000 5.748 0.000) 5.748 4.403 ( 0.000 -6.198 0.000) 6.198 4.522 ( 0.000 5.187 0.000) 5.187 4.572 ( 0.000 1.309 0.000) 1.309 4.605 ( 0.000 1.668 0.000) 1.668 4.813 ( 0.000 -1.940 0.000) 1.940 5.064 ( 0.000 -0.683 0.000) 0.683 5.134 ( 0.000 -1.866 0.000) 1.866 5.195 ( 0.000 -4.113 0.000) 4.113 5.420 ( 0.000 -5.485 0.000) 5.485 5.529 ( 0.000 -2.463 0.000) 2.463 5.668 ( 0.000 0.127 0.000) 0.127 6.228 ( 0.000 -14.954 0.000) 14.954 7.332 ( 0.000 1.218 0.000) 1.218 7.341 ( 0.000 5.975 0.000) 5.975 7.357 ( 0.000 -2.661 0.000) 2.661 7.519 ( 0.000 2.738 0.000) 2.738 7.597 ( 0.000 -2.350 0.000) 2.350 7.675 ( 0.000 3.475 0.000) 3.475 7.740 ( 0.000 -1.188 0.000) 1.188 7.944 ( 0.000 -1.005 0.000) 1.005 10.877 ( 0.000 -2.921 0.000) 2.921 10.917 ( 0.000 -3.111 0.000) 3.111 10.979 ( 0.000 -0.014 0.000) 0.014 10.995 ( 0.000 -0.215 0.000) 0.215 11.093 ( 0.000 0.095 0.000) 0.095 11.180 ( 0.000 -1.459 0.000) 1.459 11.201 ( 0.000 5.323 0.000) 5.323 11.254 ( 0.000 0.591 0.000) 0.591 11.321 ( 0.000 1.584 0.000) 1.584 11.398 ( 0.000 0.377 0.000) 0.377 11.458 ( 0.000 3.494 0.000) 3.494 11.501 ( 0.000 -0.210 0.000) 0.210 16.338 ( 0.000 -0.284 0.000) 0.284 16.376 ( 0.000 -1.340 0.000) 1.340 16.377 ( 0.000 -0.642 0.000) 0.642 16.382 ( 0.000 -1.592 0.000) 1.592 23.482 ( 0.000 1.474 0.000) 1.474 23.599 ( 0.000 -0.909 0.000) 0.909 23.804 ( 0.000 -4.184 0.000) 4.184 24.112 ( 0.000 -3.715 0.000) 3.715 24.181 ( 0.000 6.416 0.000) 6.416 24.209 ( 0.000 8.761 0.000) 8.761 24.639 ( 0.000 3.181 0.000) 3.181 25.007 ( 0.000 1.816 0.000) 1.816 25.026 ( 0.000 -4.758 0.000) 4.758 25.319 ( 0.000 0.789 0.000) 0.789 25.564 ( 0.000 -8.312 0.000) 8.312 26.019 ( 0.000 -2.674 0.000) 2.674 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 15.811 14.764 0.000) 21.632 1.044 ( 7.452 19.757 0.000) 21.116 1.392 ( -4.307 21.694 0.000) 22.117 1.622 ( 12.542 4.314 0.000) 13.263 1.792 ( 14.364 14.968 0.000) 20.745 1.813 ( 3.293 17.133 0.000) 17.447 2.089 ( 6.420 17.286 0.000) 18.440 2.113 ( 2.832 7.074 0.000) 7.620 2.148 ( 5.899 7.006 0.000) 9.158 2.188 ( 1.366 -1.927 0.000) 2.362 2.256 ( 6.011 0.782 0.000) 6.062 2.347 ( 6.565 9.132 0.000) 11.247 2.495 ( -2.008 5.618 0.000) 5.966 2.525 ( 0.440 -5.512 0.000) 5.529 2.705 ( -3.477 -2.611 0.000) 4.349 2.751 ( -2.750 7.419 0.000) 7.912 2.830 ( -8.381 -0.931 0.000) 8.433 2.837 ( -3.169 6.994 0.000) 7.678 3.043 ( 2.781 -2.504 0.000) 3.742 3.112 ( 2.460 -2.907 0.000) 3.808 3.120 ( 1.305 -0.469 0.000) 1.387 3.179 ( 5.090 0.693 0.000) 5.137 3.254 ( 3.905 -4.048 0.000) 5.624 3.333 ( -3.142 4.194 0.000) 5.240 3.421 ( -2.085 -4.248 0.000) 4.732 3.505 ( -1.364 10.138 0.000) 10.230 3.566 ( 3.868 -7.833 0.000) 8.736 3.599 ( -7.305 -0.388 0.000) 7.315 3.699 ( 0.521 2.786 0.000) 2.834 3.803 ( -7.758 1.267 0.000) 7.861 3.840 ( -8.280 0.368 0.000) 8.288 3.902 ( -3.232 -2.680 0.000) 4.198 3.973 ( -2.837 4.248 0.000) 5.108 4.085 ( 1.365 -2.557 0.000) 2.899 4.156 ( 3.855 1.480 0.000) 4.129 4.277 ( -3.850 -0.340 0.000) 3.865 4.428 ( 3.091 -3.832 0.000) 4.923 4.486 ( -4.064 4.139 0.000) 5.800 4.617 ( 0.003 5.204 0.000) 5.204 4.628 ( 5.205 1.195 0.000) 5.341 4.778 ( -1.298 0.566 0.000) 1.416 5.047 ( -0.578 0.376 0.000) 0.690 5.113 ( -2.051 -1.001 0.000) 2.282 5.156 ( -9.305 1.347 0.000) 9.402 5.287 ( -1.341 -0.329 0.000) 1.380 5.500 ( -2.761 -2.168 0.000) 3.511 5.726 ( 5.155 -3.147 0.000) 6.040 6.374 ( 6.536 -22.630 0.000) 23.555 7.361 ( 2.691 0.940 0.000) 2.851 7.365 ( 2.425 6.112 0.000) 6.576 7.418 ( 5.306 -2.087 0.000) 5.702 7.503 ( -0.043 2.238 0.000) 2.239 7.602 ( 0.416 -1.538 0.000) 1.593 7.719 ( -2.070 -0.849 0.000) 2.237 7.732 ( 3.877 2.581 0.000) 4.657 7.939 ( -0.600 -1.813 0.000) 1.909 10.871 ( -0.304 -2.517 0.000) 2.535 10.934 ( 1.466 -3.340 0.000) 3.648 10.958 ( -1.542 0.317 0.000) 1.575 11.008 ( 0.956 -0.562 0.000) 1.109 11.095 ( 0.044 0.567 0.000) 0.569 11.168 ( -1.241 -1.839 0.000) 2.218 11.183 ( -1.722 4.311 0.000) 4.643 11.259 ( 0.377 0.996 0.000) 1.065 11.319 ( -0.153 0.550 0.000) 0.571 11.350 ( -4.049 0.648 0.000) 4.100 11.427 ( -3.059 3.213 0.000) 4.436 11.455 ( -4.229 0.155 0.000) 4.232 16.340 ( 0.282 -0.253 0.000) 0.379 16.367 ( -0.328 -1.176 0.000) 1.221 16.388 ( 0.942 -0.730 0.000) 1.192 16.401 ( 1.158 -1.673 0.000) 2.035 23.479 ( -0.077 1.263 0.000) 1.265 23.586 ( -1.158 -0.653 0.000) 1.329 23.821 ( 1.297 -3.999 0.000) 4.204 24.085 ( -2.855 -4.409 0.000) 5.253 24.167 ( -0.973 6.569 0.000) 6.641 24.218 ( 1.536 8.152 0.000) 8.295 24.510 ( -9.486 7.219 0.000) 11.921 25.067 ( 0.856 4.308 0.000) 4.392 25.106 ( 8.749 1.008 0.000) 8.807 25.282 ( -1.947 -5.551 0.000) 5.882 25.612 ( 4.872 -7.915 0.000) 9.294 26.096 ( 5.278 -7.855 0.000) 9.463 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 17.756 12.045 0.000) 21.456 1.300 ( 16.671 13.310 0.000) 21.332 1.366 ( 3.411 20.441 0.000) 20.724 1.637 ( -3.923 12.032 0.000) 12.655 1.928 ( 3.426 4.392 0.000) 5.570 2.085 ( 14.536 12.950 0.000) 19.468 2.183 ( 3.936 4.352 0.000) 5.867 2.206 ( 1.612 1.361 0.000) 2.109 2.282 ( 4.771 2.964 0.000) 5.617 2.333 ( 7.569 7.081 0.000) 10.365 2.411 ( -3.308 5.427 0.000) 6.356 2.453 ( 18.298 6.655 0.000) 19.471 2.530 ( 5.175 6.043 0.000) 7.956 2.532 ( 0.465 -2.990 0.000) 3.026 2.540 ( -9.199 2.896 0.000) 9.644 2.642 ( -8.166 6.968 0.000) 10.735 2.730 ( -0.311 -0.632 0.000) 0.705 2.830 ( 4.092 13.490 0.000) 14.097 3.098 ( -4.872 6.813 0.000) 8.376 3.099 ( 3.061 4.941 0.000) 5.812 3.171 ( 0.689 3.464 0.000) 3.531 3.210 ( 5.402 -6.884 0.000) 8.750 3.314 ( 2.178 -5.840 0.000) 6.233 3.367 ( -2.972 0.498 0.000) 3.014 3.393 ( -8.365 7.974 0.000) 11.557 3.460 ( 5.256 -4.701 0.000) 7.051 3.479 ( 0.220 3.358 0.000) 3.365 3.634 ( -8.074 2.749 0.000) 8.529 3.637 ( -0.443 -6.365 0.000) 6.381 3.669 ( -3.914 -3.869 0.000) 5.504 3.723 ( 1.748 -0.328 0.000) 1.779 3.813 ( -4.148 -3.352 0.000) 5.333 3.962 ( -0.670 -3.248 0.000) 3.316 4.059 ( -3.786 -5.231 0.000) 6.457 4.132 ( -9.293 -4.508 0.000) 10.329 4.301 ( -5.520 4.605 0.000) 7.189 4.324 ( 2.536 6.432 0.000) 6.914 4.507 ( 4.551 -2.705 0.000) 5.294 4.629 ( 1.750 5.699 0.000) 5.962 4.733 ( 4.240 3.385 0.000) 5.426 4.800 ( 2.506 1.035 0.000) 2.711 5.014 ( -2.244 7.310 0.000) 7.647 5.054 ( -2.139 -1.049 0.000) 2.383 5.069 ( 0.717 2.385 0.000) 2.491 5.290 ( -0.816 0.372 0.000) 0.897 5.420 ( -5.608 -0.844 0.000) 5.671 5.848 ( 7.180 -9.116 0.000) 11.604 6.374 ( -5.626 -22.712 0.000) 23.399 7.422 ( 3.355 -0.039 0.000) 3.355 7.429 ( 3.914 5.982 0.000) 7.148 7.491 ( 2.355 4.988 0.000) 5.516 7.571 ( 5.581 -3.255 0.000) 6.460 7.609 ( 0.170 0.953 0.000) 0.968 7.665 ( -3.353 -0.045 0.000) 3.353 7.778 ( 0.914 2.111 0.000) 2.301 7.918 ( -1.674 -3.746 0.000) 4.103 10.871 ( 0.318 -1.952 0.000) 1.978 10.929 ( -1.368 -0.574 0.000) 1.483 10.966 ( 1.722 -3.473 0.000) 3.876 11.030 ( 1.243 -0.833 0.000) 1.496 11.081 ( -1.781 0.328 0.000) 1.811 11.140 ( -2.542 2.788 0.000) 3.772 11.154 ( 0.628 -1.510 0.000) 1.635 11.259 ( -4.030 0.330 0.000) 4.044 11.261 ( -0.581 0.120 0.000) 0.593 11.327 ( 0.237 0.351 0.000) 0.424 11.347 ( -4.352 2.493 0.000) 5.016 11.367 ( -4.347 1.645 0.000) 4.647 16.349 ( 0.534 -0.276 0.000) 0.601 16.364 ( -0.018 -0.897 0.000) 0.897 16.408 ( 1.066 -0.961 0.000) 1.435 16.421 ( 0.849 -1.697 0.000) 1.898 23.486 ( 0.798 0.810 0.000) 1.137 23.560 ( -1.341 -0.073 0.000) 1.343 23.842 ( 0.872 -3.891 0.000) 3.987 24.009 ( -4.556 -5.604 0.000) 7.222 24.166 ( 0.891 6.352 0.000) 6.414 24.290 ( 6.374 8.096 0.000) 10.304 24.352 ( -6.421 9.800 0.000) 11.716 24.958 ( -10.884 11.874 0.000) 16.108 25.283 ( 8.090 -1.282 0.000) 8.191 25.321 ( 4.587 -9.963 0.000) 10.968 25.749 ( 8.867 -7.112 0.000) 11.367 26.151 ( -0.213 -10.054 0.000) 10.057 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.745 20.436 0.000) 20.776 1.473 ( -2.889 18.078 0.000) 18.308 1.689 ( 17.465 7.365 0.000) 18.955 1.731 ( 16.890 5.499 0.000) 17.762 1.931 ( -4.148 5.205 0.000) 6.655 2.103 ( -16.889 1.785 0.000) 16.983 2.204 ( -0.284 7.124 0.000) 7.130 2.218 ( -0.933 5.502 0.000) 5.581 2.371 ( 8.985 4.335 0.000) 9.976 2.390 ( 0.469 6.815 0.000) 6.831 2.402 ( 1.665 6.596 0.000) 6.803 2.463 ( 1.528 3.512 0.000) 3.830 2.502 ( -4.969 3.508 0.000) 6.082 2.506 ( -1.896 -2.624 0.000) 3.237 2.622 ( 4.020 3.587 0.000) 5.388 2.683 ( 1.886 1.265 0.000) 2.271 2.802 ( 5.254 3.120 0.000) 6.111 2.890 ( -4.366 9.005 0.000) 10.008 3.119 ( 6.131 12.107 0.000) 13.571 3.150 ( 1.472 7.697 0.000) 7.837 3.251 ( 5.733 3.048 0.000) 6.493 3.267 ( -0.318 -1.304 0.000) 1.342 3.286 ( 1.740 5.863 0.000) 6.116 3.327 ( 0.406 -0.175 0.000) 0.443 3.336 ( 0.134 -3.261 0.000) 3.263 3.385 ( -4.444 2.379 0.000) 5.041 3.504 ( 1.434 2.604 0.000) 2.973 3.588 ( 2.149 -6.240 0.000) 6.600 3.631 ( 1.725 -4.599 0.000) 4.912 3.680 ( -2.273 -1.401 0.000) 2.670 3.750 ( -2.384 -0.131 0.000) 2.388 3.775 ( 0.056 -0.059 0.000) 0.081 3.867 ( -11.872 -0.714 0.000) 11.894 3.893 ( -5.232 -9.512 0.000) 10.856 4.032 ( 0.290 -4.904 0.000) 4.912 4.096 ( -5.926 -1.512 0.000) 6.116 4.518 ( 8.619 3.281 0.000) 9.222 4.581 ( 2.010 -1.986 0.000) 2.826 4.668 ( 1.946 5.004 0.000) 5.369 4.732 ( -3.951 8.085 0.000) 8.999 4.869 ( 5.062 1.015 0.000) 5.163 4.973 ( -5.123 1.089 0.000) 5.238 5.077 ( 6.172 2.493 0.000) 6.657 5.116 ( 2.460 0.825 0.000) 2.595 5.249 ( -2.449 3.574 0.000) 4.332 5.291 ( -6.801 2.596 0.000) 7.279 6.008 ( 9.398 -15.116 0.000) 17.799 6.206 ( -10.361 -19.704 0.000) 22.262 7.487 ( 3.056 -1.206 0.000) 3.286 7.500 ( 2.480 3.042 0.000) 3.925 7.537 ( 2.225 5.435 0.000) 5.873 7.587 ( -3.086 3.115 0.000) 4.384 7.618 ( -0.154 3.821 0.000) 3.824 7.631 ( -0.063 4.357 0.000) 4.357 7.806 ( 2.863 -3.798 0.000) 4.756 7.871 ( -3.131 -5.532 0.000) 6.357 10.883 ( 0.917 -1.623 0.000) 1.864 10.905 ( -1.198 -1.445 0.000) 1.877 11.000 ( 1.737 -3.251 0.000) 3.686 11.036 ( -1.917 -2.633 0.000) 3.256 11.058 ( 1.233 0.468 0.000) 1.319 11.092 ( -2.160 1.251 0.000) 2.496 11.187 ( 1.714 -1.156 0.000) 2.068 11.214 ( 0.476 1.877 0.000) 1.936 11.219 ( -2.652 -1.229 0.000) 2.923 11.273 ( -4.018 2.813 0.000) 4.905 11.320 ( -0.036 1.715 0.000) 1.715 11.327 ( -0.318 0.916 0.000) 0.969 16.359 ( 0.416 -0.416 0.000) 0.588 16.364 ( -0.112 -0.634 0.000) 0.644 16.426 ( 0.624 -1.269 0.000) 1.414 16.431 ( 0.116 -1.548 0.000) 1.552 23.508 ( 1.315 0.554 0.000) 1.427 23.534 ( -1.361 0.362 0.000) 1.409 23.867 ( 1.997 -4.654 0.000) 5.064 23.924 ( -3.820 -5.588 0.000) 6.769 24.196 ( 2.210 7.228 0.000) 7.558 24.254 ( -3.834 8.847 0.000) 9.642 24.466 ( 11.313 8.870 0.000) 14.375 24.711 ( -13.367 10.372 0.000) 16.919 25.392 ( 2.877 -3.917 0.000) 4.860 25.396 ( 2.263 -6.608 0.000) 6.985 25.934 ( 9.389 -7.215 0.000) 11.841 26.088 ( -5.947 -8.637 0.000) 10.486 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 16.970 0.000) 16.970 1.403 ( 0.000 15.542 0.000) 15.542 1.499 ( 0.000 3.455 0.000) 3.455 1.905 ( 0.000 17.221 0.000) 17.221 1.916 ( 0.000 16.429 0.000) 16.429 2.037 ( 0.000 -6.536 0.000) 6.536 2.071 ( 0.000 -0.428 0.000) 0.428 2.177 ( 0.000 14.910 0.000) 14.910 2.219 ( 0.000 6.139 0.000) 6.139 2.250 ( 0.000 9.887 0.000) 9.887 2.369 ( 0.000 -3.191 0.000) 3.191 2.458 ( 0.000 13.058 0.000) 13.058 2.477 ( 0.000 8.508 0.000) 8.508 2.564 ( 0.000 -1.988 0.000) 1.988 2.665 ( 0.000 -2.949 0.000) 2.949 2.783 ( 0.000 -10.589 0.000) 10.589 2.857 ( 0.000 -3.370 0.000) 3.370 2.904 ( 0.000 -6.870 0.000) 6.870 2.944 ( 0.000 -6.292 0.000) 6.292 3.108 ( 0.000 9.332 0.000) 9.332 3.121 ( 0.000 -0.608 0.000) 0.608 3.138 ( 0.000 15.281 0.000) 15.281 3.206 ( 0.000 -7.008 0.000) 7.008 3.336 ( 0.000 -9.554 0.000) 9.554 3.393 ( 0.000 6.418 0.000) 6.418 3.529 ( 0.000 2.921 0.000) 2.921 3.598 ( 0.000 3.968 0.000) 3.968 3.618 ( 0.000 -0.525 0.000) 0.525 3.791 ( 0.000 4.930 0.000) 4.930 3.875 ( 0.000 -2.139 0.000) 2.139 3.935 ( 0.000 -6.708 0.000) 6.708 3.945 ( 0.000 -2.800 0.000) 2.800 4.073 ( 0.000 2.242 0.000) 2.242 4.128 ( 0.000 7.887 0.000) 7.887 4.149 ( 0.000 -2.721 0.000) 2.721 4.277 ( 0.000 -3.408 0.000) 3.408 4.403 ( 0.000 8.703 0.000) 8.703 4.610 ( 0.000 3.579 0.000) 3.579 4.639 ( 0.000 1.529 0.000) 1.529 4.640 ( 0.000 5.633 0.000) 5.633 4.782 ( 0.000 -0.435 0.000) 0.435 5.036 ( 0.000 -0.782 0.000) 0.782 5.105 ( 0.000 -1.076 0.000) 1.076 5.107 ( 0.000 -4.807 0.000) 4.807 5.306 ( 0.000 -5.879 0.000) 5.879 5.550 ( 0.000 3.741 0.000) 3.741 5.676 ( 0.000 0.455 0.000) 0.455 5.878 ( 0.000 -20.588 0.000) 20.588 7.315 ( 0.000 -1.507 0.000) 1.507 7.333 ( 0.000 -0.831 0.000) 0.831 7.433 ( 0.000 2.981 0.000) 2.981 7.544 ( 0.000 -2.885 0.000) 2.885 7.593 ( 0.000 4.420 0.000) 4.420 7.723 ( 0.000 1.283 0.000) 1.283 7.744 ( 0.000 1.930 0.000) 1.930 7.919 ( 0.000 -1.687 0.000) 1.687 10.829 ( 0.000 -1.822 0.000) 1.822 10.861 ( 0.000 -2.527 0.000) 2.527 10.980 ( 0.000 0.095 0.000) 0.095 10.991 ( 0.000 -0.206 0.000) 0.206 11.094 ( 0.000 0.025 0.000) 0.025 11.142 ( 0.000 -1.992 0.000) 1.992 11.261 ( 0.000 0.328 0.000) 0.328 11.275 ( 0.000 1.888 0.000) 1.888 11.361 ( 0.000 2.103 0.000) 2.103 11.406 ( 0.000 0.332 0.000) 0.332 11.518 ( 0.000 1.952 0.000) 1.952 11.527 ( 0.000 3.119 0.000) 3.119 16.335 ( 0.000 0.013 0.000) 0.013 16.350 ( 0.000 -1.233 0.000) 1.233 16.352 ( 0.000 -1.389 0.000) 1.389 16.363 ( 0.000 -0.746 0.000) 0.746 23.533 ( 0.000 3.924 0.000) 3.924 23.587 ( 0.000 -0.087 0.000) 0.087 23.720 ( 0.000 -4.268 0.000) 4.268 23.992 ( 0.000 -8.397 0.000) 8.397 24.308 ( 0.000 6.199 0.000) 6.199 24.363 ( 0.000 6.270 0.000) 6.270 24.683 ( 0.000 1.869 0.000) 1.869 24.923 ( 0.000 -5.545 0.000) 5.545 25.054 ( 0.000 3.041 0.000) 3.041 25.393 ( 0.000 -8.728 0.000) 8.728 25.417 ( 0.000 8.648 0.000) 8.648 25.942 ( 0.000 -5.384 0.000) 5.384 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 11.866 14.925 0.000) 19.067 1.386 ( 3.827 14.292 0.000) 14.795 1.705 ( 13.684 3.866 0.000) 14.220 1.802 ( -3.480 18.524 0.000) 18.848 2.059 ( -4.379 9.279 0.000) 10.260 2.069 ( 3.911 -7.354 0.000) 8.329 2.096 ( 10.185 14.932 0.000) 18.075 2.100 ( 1.142 0.289 0.000) 1.178 2.310 ( 3.603 -0.433 0.000) 3.629 2.315 ( 5.320 9.763 0.000) 11.119 2.451 ( 7.480 5.070 0.000) 9.037 2.479 ( 2.079 12.143 0.000) 12.320 2.511 ( 2.701 5.044 0.000) 5.722 2.542 ( -1.712 0.058 0.000) 1.713 2.666 ( 0.559 -0.373 0.000) 0.672 2.777 ( -2.240 -7.684 0.000) 8.004 2.825 ( -2.565 -6.813 0.000) 7.280 2.953 ( 2.723 -5.800 0.000) 6.408 2.958 ( 4.494 5.525 0.000) 7.122 3.118 ( 1.150 6.135 0.000) 6.242 3.129 ( 0.758 -1.007 0.000) 1.260 3.183 ( 5.026 7.618 0.000) 9.127 3.246 ( 3.430 -3.671 0.000) 5.024 3.335 ( -0.044 -1.655 0.000) 1.655 3.411 ( 2.201 -4.274 0.000) 4.807 3.437 ( -5.625 5.020 0.000) 7.539 3.572 ( -4.308 0.347 0.000) 4.322 3.661 ( 2.412 2.152 0.000) 3.233 3.764 ( -3.697 2.369 0.000) 4.391 3.790 ( -8.224 -4.213 0.000) 9.241 3.813 ( -5.814 -0.454 0.000) 5.832 3.940 ( -9.653 5.425 0.000) 11.073 4.037 ( 1.494 -3.343 0.000) 3.661 4.134 ( -2.945 11.789 0.000) 12.151 4.147 ( 3.540 -2.247 0.000) 4.193 4.219 ( -6.597 -4.883 0.000) 8.207 4.379 ( 0.025 -0.193 0.000) 0.195 4.572 ( -2.672 4.337 0.000) 5.094 4.688 ( 4.577 5.208 0.000) 6.934 4.697 ( 2.975 2.180 0.000) 3.688 4.779 ( 0.180 -0.113 0.000) 0.212 5.029 ( -0.289 -0.531 0.000) 0.605 5.100 ( -0.629 -0.611 0.000) 0.877 5.113 ( -1.513 -4.209 0.000) 4.473 5.279 ( 0.877 -0.909 0.000) 1.263 5.522 ( -2.729 3.674 0.000) 4.577 5.681 ( 0.529 -1.560 0.000) 1.647 5.943 ( 3.630 -21.819 0.000) 22.119 7.352 ( 2.922 -1.164 0.000) 3.146 7.376 ( 4.566 -1.863 0.000) 4.932 7.452 ( 1.825 2.458 0.000) 3.062 7.561 ( 1.706 -2.595 0.000) 3.106 7.586 ( -0.062 5.188 0.000) 5.189 7.731 ( -1.293 2.431 0.000) 2.753 7.761 ( 3.039 0.373 0.000) 3.062 7.906 ( -1.377 -1.709 0.000) 2.195 10.831 ( 0.237 -1.523 0.000) 1.541 10.873 ( 1.143 -2.753 0.000) 2.981 10.967 ( -1.333 0.541 0.000) 1.438 10.998 ( 0.603 -0.457 0.000) 0.757 11.098 ( 0.384 -0.091 0.000) 0.394 11.129 ( -1.377 -1.867 0.000) 2.320 11.233 ( -2.383 1.119 0.000) 2.632 11.276 ( -0.438 0.382 0.000) 0.581 11.340 ( -2.080 1.347 0.000) 2.478 11.367 ( -2.969 0.819 0.000) 3.080 11.477 ( -3.722 2.489 0.000) 4.477 11.497 ( -2.998 2.943 0.000) 4.201 16.338 ( 0.331 0.067 0.000) 0.338 16.345 ( 0.002 -0.935 0.000) 0.935 16.367 ( 1.008 -1.600 0.000) 1.891 16.372 ( 0.767 -0.849 0.000) 1.144 23.525 ( -0.598 3.571 0.000) 3.621 23.581 ( -0.540 0.330 0.000) 0.633 23.737 ( 1.404 -4.404 0.000) 4.622 23.955 ( -3.468 -8.414 0.000) 9.100 24.292 ( -1.217 5.983 0.000) 6.106 24.360 ( 0.602 5.665 0.000) 5.697 24.620 ( -4.706 4.939 0.000) 6.823 25.016 ( 6.774 -7.925 0.000) 10.426 25.140 ( 7.467 2.574 0.000) 7.898 25.352 ( -6.087 10.679 0.000) 12.292 25.452 ( 5.854 -8.051 0.000) 9.954 25.955 ( 1.037 -7.279 0.000) 7.353 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 16.668 11.016 0.000) 19.979 1.558 ( 12.588 12.478 0.000) 17.725 1.768 ( -0.195 18.528 0.000) 18.529 1.884 ( 1.625 12.086 0.000) 12.195 2.004 ( 0.792 3.629 0.000) 3.714 2.148 ( 3.446 -5.215 0.000) 6.250 2.180 ( 6.428 -2.662 0.000) 6.957 2.299 ( 8.791 7.798 0.000) 11.751 2.369 ( 2.556 -4.365 0.000) 5.058 2.387 ( 1.162 7.499 0.000) 7.589 2.489 ( -2.950 3.577 0.000) 4.636 2.528 ( 2.532 8.772 0.000) 9.130 2.543 ( -1.486 -0.340 0.000) 1.525 2.576 ( 4.815 3.141 0.000) 5.749 2.683 ( 0.220 4.596 0.000) 4.601 2.729 ( -7.238 0.215 0.000) 7.242 2.768 ( 5.956 2.977 0.000) 6.659 3.064 ( 7.533 -6.461 0.000) 9.924 3.101 ( 6.281 5.473 0.000) 8.331 3.152 ( 2.043 0.716 0.000) 2.165 3.157 ( 3.764 0.630 0.000) 3.816 3.269 ( 1.708 5.492 0.000) 5.752 3.307 ( 1.759 4.576 0.000) 4.902 3.338 ( 0.614 -4.505 0.000) 4.547 3.379 ( 0.382 -1.239 0.000) 1.296 3.470 ( -4.473 4.869 0.000) 6.612 3.478 ( 3.733 -7.907 0.000) 8.744 3.595 ( -6.875 -3.569 0.000) 7.746 3.624 ( -6.589 -3.025 0.000) 7.250 3.717 ( -3.748 10.008 0.000) 10.687 3.723 ( -2.419 0.440 0.000) 2.458 3.762 ( -5.601 4.148 0.000) 6.970 4.002 ( -3.443 -0.679 0.000) 3.510 4.011 ( -10.364 1.841 0.000) 10.526 4.069 ( -5.232 5.083 0.000) 7.295 4.301 ( 9.427 -3.913 0.000) 10.207 4.432 ( 4.497 -5.331 0.000) 6.974 4.473 ( -8.113 7.807 0.000) 11.260 4.730 ( 0.956 3.497 0.000) 3.625 4.785 ( 1.099 -2.334 0.000) 2.580 4.800 ( 5.384 3.815 0.000) 6.599 5.043 ( 1.704 -0.472 0.000) 1.768 5.073 ( -2.039 -0.563 0.000) 2.115 5.082 ( -0.196 -0.246 0.000) 0.315 5.326 ( 2.061 2.915 0.000) 3.570 5.453 ( -4.218 3.680 0.000) 5.598 5.698 ( 1.294 -5.990 0.000) 6.128 5.947 ( -3.357 -20.520 0.000) 20.793 7.410 ( 3.001 -0.661 0.000) 3.073 7.491 ( 6.272 -3.958 0.000) 7.416 7.491 ( 1.765 0.905 0.000) 1.984 7.604 ( 2.239 -2.444 0.000) 3.315 7.607 ( 2.272 6.029 0.000) 6.443 7.703 ( -1.022 4.369 0.000) 4.487 7.807 ( 1.039 0.317 0.000) 1.086 7.865 ( -2.890 -1.630 0.000) 3.318 10.840 ( 0.772 -1.063 0.000) 1.314 10.901 ( 1.590 -3.025 0.000) 3.418 10.930 ( -2.326 0.550 0.000) 2.390 11.007 ( -0.085 -1.497 0.000) 1.500 11.076 ( -2.046 -0.263 0.000) 2.063 11.129 ( 1.390 -1.254 0.000) 1.872 11.176 ( -3.336 1.102 0.000) 3.514 11.248 ( -2.561 -1.278 0.000) 2.862 11.279 ( -2.844 1.645 0.000) 3.285 11.340 ( -0.141 0.534 0.000) 0.552 11.402 ( -3.213 3.148 0.000) 4.498 11.420 ( -4.542 2.848 0.000) 5.361 16.347 ( 0.462 0.090 0.000) 0.470 16.349 ( 0.301 -0.573 0.000) 0.647 16.387 ( 0.895 -1.698 0.000) 1.919 16.388 ( 0.790 -1.069 0.000) 1.329 23.520 ( 0.226 2.799 0.000) 2.808 23.569 ( -0.678 1.110 0.000) 1.301 23.760 ( 0.814 -4.410 0.000) 4.485 23.876 ( -4.104 -7.589 0.000) 8.627 24.288 ( 1.113 5.820 0.000) 5.925 24.413 ( 5.391 3.922 0.000) 6.666 24.523 ( -5.263 8.015 0.000) 9.589 25.047 ( -7.353 -8.356 0.000) 11.131 25.281 ( 2.427 11.393 0.000) 11.649 25.287 ( 6.517 1.995 0.000) 6.815 25.606 ( 9.381 -7.200 0.000) 11.825 25.964 ( -0.668 -9.375 0.000) 9.399 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 3.593 16.726 0.000) 17.107 1.798 ( 5.217 12.950 0.000) 13.962 1.831 ( 11.621 7.171 0.000) 13.655 1.877 ( 5.495 11.044 0.000) 12.335 2.014 ( -1.688 2.821 0.000) 3.287 2.124 ( -8.391 0.825 0.000) 8.432 2.294 ( 3.685 0.918 0.000) 3.798 2.315 ( -1.104 4.211 0.000) 4.353 2.387 ( -0.559 -2.925 0.000) 2.978 2.405 ( -1.852 -0.626 0.000) 1.955 2.501 ( 1.384 3.816 0.000) 4.059 2.520 ( 3.701 4.560 0.000) 5.873 2.539 ( -2.663 4.630 0.000) 5.341 2.592 ( -3.544 3.064 0.000) 4.685 2.689 ( 5.892 1.670 0.000) 6.124 2.741 ( 2.530 4.770 0.000) 5.400 2.903 ( 6.965 5.606 0.000) 8.941 3.061 ( -7.840 5.904 0.000) 9.814 3.164 ( -0.993 -4.439 0.000) 4.548 3.165 ( -0.871 -6.429 0.000) 6.488 3.218 ( 7.600 -3.452 0.000) 8.347 3.296 ( 0.042 4.172 0.000) 4.172 3.311 ( -2.672 2.008 0.000) 3.343 3.367 ( -4.504 2.624 0.000) 5.213 3.385 ( 3.887 -4.232 0.000) 5.747 3.479 ( -1.800 -7.770 0.000) 7.976 3.511 ( 4.328 0.700 0.000) 4.384 3.513 ( 2.856 3.869 0.000) 4.809 3.603 ( 2.105 -5.049 0.000) 5.470 3.615 ( -4.874 6.546 0.000) 8.162 3.696 ( 0.941 -4.586 0.000) 4.681 3.792 ( 0.045 4.297 0.000) 4.297 3.816 ( -2.551 5.392 0.000) 5.965 3.919 ( -5.004 4.944 0.000) 7.034 4.039 ( 3.355 7.873 0.000) 8.558 4.227 ( -13.333 11.803 0.000) 17.807 4.485 ( 5.627 -5.192 0.000) 7.657 4.512 ( 2.503 -4.983 0.000) 5.576 4.755 ( 1.711 1.592 0.000) 2.337 4.785 ( -0.858 -3.457 0.000) 3.562 4.905 ( 4.809 3.691 0.000) 6.062 4.997 ( -4.574 1.631 0.000) 4.856 5.102 ( 2.373 -1.932 0.000) 3.060 5.105 ( 1.701 -0.179 0.000) 1.711 5.342 ( 0.128 5.271 0.000) 5.272 5.372 ( -3.430 5.027 0.000) 6.085 5.742 ( 3.595 -11.390 0.000) 11.944 5.842 ( -6.254 -16.719 0.000) 17.850 7.467 ( 2.686 -0.648 0.000) 2.763 7.504 ( -0.741 -0.535 0.000) 0.914 7.584 ( 2.881 -2.811 0.000) 4.025 7.617 ( -0.864 -1.740 0.000) 1.943 7.678 ( 4.735 3.855 0.000) 6.106 7.719 ( 1.913 5.093 0.000) 5.441 7.796 ( -1.860 1.489 0.000) 2.382 7.797 ( -3.546 -1.015 0.000) 3.688 10.860 ( 1.175 -0.689 0.000) 1.362 10.888 ( -1.804 -0.185 0.000) 1.814 10.934 ( 1.939 -3.091 0.000) 3.649 10.978 ( -2.405 -2.893 0.000) 3.762 11.069 ( 1.245 0.661 0.000) 1.410 11.112 ( -2.947 0.806 0.000) 3.055 11.155 ( 1.191 -1.900 0.000) 2.243 11.190 ( -2.690 -1.689 0.000) 3.176 11.267 ( 1.792 3.002 0.000) 3.496 11.331 ( -4.275 2.927 0.000) 5.181 11.346 ( 0.589 0.764 0.000) 0.965 11.362 ( -1.156 2.096 0.000) 2.394 16.354 ( 0.218 -0.031 0.000) 0.221 16.354 ( 0.159 -0.264 0.000) 0.308 16.399 ( 0.344 -1.587 0.000) 1.624 16.399 ( 0.314 -1.340 0.000) 1.376 23.533 ( 0.990 2.150 0.000) 2.367 23.553 ( -0.987 1.701 0.000) 1.967 23.775 ( 1.036 -4.786 0.000) 4.897 23.809 ( -2.621 -6.054 0.000) 6.597 24.334 ( 3.522 6.622 0.000) 7.500 24.420 ( -5.096 7.996 0.000) 9.482 24.576 ( 11.025 1.734 0.000) 11.161 24.820 ( -13.327 -0.898 0.000) 13.357 25.358 ( 3.104 4.413 0.000) 5.395 25.371 ( 1.897 2.514 0.000) 3.149 25.786 ( 8.405 -7.749 0.000) 11.432 25.915 ( -4.570 -9.063 0.000) 10.150 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 16.982 0.000) 16.982 1.565 ( 0.000 3.001 0.000) 3.001 1.581 ( 0.000 2.843 0.000) 2.843 1.749 ( 0.000 -15.451 0.000) 15.451 2.100 ( 0.000 3.696 0.000) 3.696 2.204 ( 0.000 -6.276 0.000) 6.276 2.228 ( 0.000 14.753 0.000) 14.753 2.293 ( 0.000 12.800 0.000) 12.800 2.395 ( 0.000 11.359 0.000) 11.359 2.430 ( 0.000 6.659 0.000) 6.659 2.479 ( 0.000 10.323 0.000) 10.323 2.519 ( 0.000 -2.705 0.000) 2.705 2.575 ( 0.000 -8.523 0.000) 8.523 2.577 ( 0.000 1.216 0.000) 1.216 2.629 ( 0.000 -0.072 0.000) 0.072 2.640 ( 0.000 -3.651 0.000) 3.651 2.729 ( 0.000 -10.009 0.000) 10.009 2.764 ( 0.000 -10.106 0.000) 10.106 2.782 ( 0.000 6.877 0.000) 6.877 2.997 ( 0.000 -10.760 0.000) 10.760 3.072 ( 0.000 -2.685 0.000) 2.685 3.138 ( 0.000 -7.533 0.000) 7.533 3.392 ( 0.000 14.007 0.000) 14.007 3.498 ( 0.000 13.485 0.000) 13.485 3.546 ( 0.000 4.252 0.000) 4.252 3.565 ( 0.000 1.212 0.000) 1.212 3.667 ( 0.000 5.407 0.000) 5.407 3.672 ( 0.000 4.143 0.000) 4.143 3.757 ( 0.000 -5.463 0.000) 5.463 3.825 ( 0.000 -1.152 0.000) 1.152 3.837 ( 0.000 -7.725 0.000) 7.725 3.923 ( 0.000 5.700 0.000) 5.700 4.006 ( 0.000 -13.247 0.000) 13.247 4.047 ( 0.000 -6.602 0.000) 6.602 4.132 ( 0.000 3.704 0.000) 3.704 4.218 ( 0.000 -4.774 0.000) 4.774 4.657 ( 0.000 1.221 0.000) 1.221 4.661 ( 0.000 0.643 0.000) 0.643 4.763 ( 0.000 5.428 0.000) 5.428 4.764 ( 0.000 18.528 0.000) 18.528 4.806 ( 0.000 4.160 0.000) 4.160 5.011 ( 0.000 -5.245 0.000) 5.245 5.052 ( 0.000 1.886 0.000) 1.886 5.085 ( 0.000 -1.231 0.000) 1.231 5.219 ( 0.000 -0.643 0.000) 0.643 5.449 ( 0.000 -21.593 0.000) 21.593 5.630 ( 0.000 3.570 0.000) 3.570 5.674 ( 0.000 -0.940 0.000) 0.940 7.300 ( 0.000 0.008 0.000) 0.008 7.312 ( 0.000 -1.069 0.000) 1.069 7.466 ( 0.000 1.057 0.000) 1.057 7.494 ( 0.000 -2.042 0.000) 2.042 7.674 ( 0.000 3.517 0.000) 3.517 7.722 ( 0.000 -1.297 0.000) 1.297 7.806 ( 0.000 3.794 0.000) 3.794 7.874 ( 0.000 -2.938 0.000) 2.938 10.809 ( 0.000 -0.175 0.000) 0.175 10.822 ( 0.000 -1.385 0.000) 1.385 10.983 ( 0.000 0.187 0.000) 0.187 10.987 ( 0.000 -0.217 0.000) 0.217 11.097 ( 0.000 0.340 0.000) 0.340 11.111 ( 0.000 -1.163 0.000) 1.163 11.271 ( 0.000 0.656 0.000) 0.656 11.284 ( 0.000 -0.454 0.000) 0.454 11.394 ( 0.000 1.209 0.000) 1.209 11.408 ( 0.000 -0.207 0.000) 0.207 11.559 ( 0.000 1.664 0.000) 1.664 11.568 ( 0.000 0.897 0.000) 0.897 16.332 ( 0.000 -0.508 0.000) 0.508 16.332 ( 0.000 -0.539 0.000) 0.539 16.339 ( 0.000 0.388 0.000) 0.388 16.349 ( 0.000 -0.657 0.000) 0.657 23.600 ( 0.000 1.451 0.000) 1.451 23.641 ( 0.000 7.181 0.000) 7.181 23.645 ( 0.000 -3.155 0.000) 3.155 23.809 ( 0.000 -9.550 0.000) 9.550 24.409 ( 0.000 3.674 0.000) 3.674 24.437 ( 0.000 1.085 0.000) 1.085 24.733 ( 0.000 3.461 0.000) 3.461 24.817 ( 0.000 -5.041 0.000) 5.041 25.128 ( 0.000 4.568 0.000) 4.568 25.238 ( 0.000 -6.834 0.000) 6.834 25.615 ( 0.000 10.582 0.000) 10.582 25.806 ( 0.000 -8.532 0.000) 8.532 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 8.297 15.017 0.000) 17.156 1.602 ( 6.099 8.322 0.000) 10.318 1.719 ( 10.609 -3.129 0.000) 11.061 1.795 ( 4.470 -13.134 0.000) 13.874 2.114 ( 1.331 3.398 0.000) 3.650 2.207 ( -0.401 -4.965 0.000) 4.981 2.209 ( -1.067 15.561 0.000) 15.598 2.309 ( -3.584 12.316 0.000) 12.827 2.347 ( 3.869 7.473 0.000) 8.415 2.466 ( 0.811 2.206 0.000) 2.351 2.501 ( -0.544 -1.573 0.000) 1.665 2.533 ( -1.062 -5.552 0.000) 5.653 2.591 ( 2.535 -4.215 0.000) 4.918 2.626 ( 5.185 4.662 0.000) 6.972 2.663 ( 2.934 -2.246 0.000) 3.695 2.673 ( 6.193 7.146 0.000) 9.456 2.761 ( 2.093 7.006 0.000) 7.312 2.811 ( 5.008 -7.741 0.000) 9.220 2.873 ( 8.296 -7.196 0.000) 10.982 3.001 ( 0.470 -10.732 0.000) 10.742 3.116 ( 4.132 -2.942 0.000) 5.072 3.173 ( 3.314 -6.271 0.000) 7.092 3.370 ( -2.227 10.686 0.000) 10.915 3.430 ( -4.917 8.585 0.000) 9.894 3.498 ( -5.563 0.414 0.000) 5.579 3.499 ( -4.245 3.293 0.000) 5.372 3.657 ( -2.307 4.984 0.000) 5.492 3.672 ( -6.927 -2.626 0.000) 7.408 3.704 ( -0.802 2.099 0.000) 2.247 3.768 ( -3.986 -5.489 0.000) 6.784 3.813 ( 1.678 6.344 0.000) 6.562 3.997 ( 4.043 1.723 0.000) 4.395 4.008 ( -3.095 -1.400 0.000) 3.397 4.076 ( 3.213 -4.705 0.000) 5.698 4.111 ( -0.079 -5.529 0.000) 5.530 4.144 ( -5.553 -5.713 0.000) 7.968 4.597 ( -10.743 15.606 0.000) 18.946 4.647 ( -0.449 3.251 0.000) 3.282 4.697 ( 2.259 -1.682 0.000) 2.817 4.764 ( -3.784 -2.411 0.000) 4.487 4.831 ( 3.217 8.765 0.000) 9.337 5.003 ( -0.344 -7.414 0.000) 7.422 5.051 ( -0.185 2.173 0.000) 2.181 5.086 ( -0.120 -1.132 0.000) 1.138 5.293 ( 6.629 4.653 0.000) 8.099 5.532 ( 5.512 -18.819 0.000) 19.610 5.601 ( -2.815 3.647 0.000) 4.607 5.653 ( -2.030 -1.727 0.000) 2.665 7.336 ( 3.278 -0.172 0.000) 3.282 7.346 ( 3.322 -1.118 0.000) 3.505 7.479 ( 1.232 1.039 0.000) 1.611 7.510 ( 1.555 -2.265 0.000) 2.747 7.682 ( 0.974 4.244 0.000) 4.354 7.745 ( 1.995 -2.078 0.000) 2.881 7.799 ( -0.632 3.850 0.000) 3.902 7.865 ( -0.986 -2.675 0.000) 2.851 10.815 ( 0.611 -0.003 0.000) 0.611 10.831 ( 0.861 -1.535 0.000) 1.760 10.978 ( -0.700 0.551 0.000) 0.891 10.989 ( 0.027 -0.495 0.000) 0.496 11.096 ( -0.081 -0.033 0.000) 0.088 11.102 ( -0.789 -0.791 0.000) 1.117 11.250 ( -2.080 0.877 0.000) 2.257 11.268 ( -1.645 -0.899 0.000) 1.875 11.365 ( -2.720 0.995 0.000) 2.896 11.375 ( -2.601 -0.049 0.000) 2.602 11.525 ( -3.212 1.838 0.000) 3.701 11.536 ( -3.111 0.818 0.000) 3.217 16.334 ( 0.394 -0.115 0.000) 0.411 16.342 ( 0.751 -0.894 0.000) 1.168 16.344 ( 0.432 0.471 0.000) 0.639 16.356 ( 0.587 -0.761 0.000) 0.961 23.603 ( 0.254 1.941 0.000) 1.958 23.624 ( -1.447 6.619 0.000) 6.775 23.657 ( 1.005 -3.557 0.000) 3.697 23.779 ( -2.618 -8.933 0.000) 9.309 24.390 ( -1.368 3.644 0.000) 3.892 24.422 ( -0.722 0.602 0.000) 0.940 24.724 ( -0.915 5.937 0.000) 6.007 24.857 ( 2.500 -7.634 0.000) 8.033 25.207 ( 7.126 4.305 0.000) 8.325 25.310 ( 6.827 -6.265 0.000) 9.266 25.582 ( -2.827 11.805 0.000) 12.138 25.793 ( -1.107 -9.531 0.000) 9.595 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 11.969 10.412 0.000) 15.864 1.779 ( 11.058 10.063 0.000) 14.951 1.902 ( 5.623 -6.664 0.000) 8.719 1.937 ( 10.123 -5.196 0.000) 11.379 2.148 ( 1.139 3.156 0.000) 3.356 2.171 ( -1.016 4.295 0.000) 4.413 2.201 ( 0.256 12.215 0.000) 12.217 2.303 ( 1.992 2.607 0.000) 3.281 2.380 ( -1.078 -2.127 0.000) 2.385 2.449 ( -0.946 0.697 0.000) 1.175 2.492 ( -2.033 -10.271 0.000) 10.470 2.513 ( 0.846 -1.325 0.000) 1.572 2.651 ( 0.775 6.668 0.000) 6.713 2.700 ( 5.718 4.126 0.000) 7.052 2.749 ( 1.082 12.603 0.000) 12.649 2.801 ( 8.593 -0.950 0.000) 8.645 2.828 ( 2.661 9.126 0.000) 9.506 2.924 ( 4.501 -8.818 0.000) 9.900 3.000 ( 1.244 -10.349 0.000) 10.423 3.045 ( 5.272 -10.360 0.000) 11.624 3.209 ( 4.971 -1.897 0.000) 5.321 3.217 ( -0.272 2.109 0.000) 2.127 3.356 ( -1.975 3.434 0.000) 3.961 3.368 ( 4.647 -1.686 0.000) 4.943 3.396 ( -3.678 -0.032 0.000) 3.678 3.405 ( -3.961 -0.382 0.000) 3.979 3.554 ( -7.594 2.897 0.000) 8.128 3.574 ( -2.339 3.973 0.000) 4.610 3.607 ( -7.130 -1.387 0.000) 7.264 3.691 ( -4.131 -4.866 0.000) 6.383 3.869 ( -8.577 4.297 0.000) 9.593 3.914 ( 0.541 6.619 0.000) 6.642 3.973 ( -2.397 5.513 0.000) 6.011 4.047 ( 1.906 5.506 0.000) 5.826 4.183 ( 7.143 -7.324 0.000) 10.230 4.230 ( 7.412 -9.500 0.000) 12.050 4.411 ( -7.437 15.157 0.000) 16.884 4.616 ( -3.627 6.689 0.000) 7.609 4.675 ( -4.308 -9.355 0.000) 10.299 4.725 ( 0.144 -3.856 0.000) 3.859 4.908 ( 4.439 6.522 0.000) 7.889 5.027 ( 2.316 -4.958 0.000) 5.472 5.048 ( 0.155 1.459 0.000) 1.467 5.072 ( -1.304 -0.420 0.000) 1.370 5.403 ( 3.799 5.824 0.000) 6.954 5.532 ( -3.866 3.988 0.000) 5.555 5.596 ( 0.734 -14.430 0.000) 14.448 5.606 ( -2.466 -3.811 0.000) 4.539 7.405 ( 3.537 0.331 0.000) 3.553 7.429 ( 4.642 -2.186 0.000) 5.132 7.504 ( 1.055 1.083 0.000) 1.511 7.544 ( 1.508 -2.925 0.000) 3.291 7.715 ( 2.261 4.759 0.000) 5.269 7.786 ( 1.857 -2.418 0.000) 3.048 7.788 ( -0.338 3.614 0.000) 3.629 7.838 ( -1.677 -1.622 0.000) 2.333 10.833 ( 1.143 0.304 0.000) 1.183 10.853 ( 1.397 -1.769 0.000) 2.254 10.948 ( -2.406 1.209 0.000) 2.693 10.975 ( -1.705 -1.601 0.000) 2.338 11.081 ( -0.610 0.767 0.000) 0.980 11.103 ( 0.493 -1.328 0.000) 1.417 11.195 ( -3.373 1.065 0.000) 3.537 11.220 ( -3.195 -1.451 0.000) 3.508 11.315 ( -1.518 1.720 0.000) 2.294 11.339 ( -0.700 -0.680 0.000) 0.975 11.452 ( -3.772 1.662 0.000) 4.122 11.460 ( -4.352 0.948 0.000) 4.454 16.345 ( 0.625 0.224 0.000) 0.664 16.353 ( 0.462 0.574 0.000) 0.737 16.358 ( 0.838 -1.120 0.000) 1.398 16.368 ( 0.575 -0.940 0.000) 1.102 23.600 ( -0.827 5.364 0.000) 5.427 23.607 ( 0.073 2.754 0.000) 2.755 23.675 ( 0.648 -4.073 0.000) 4.124 23.726 ( -2.423 -7.374 0.000) 7.762 24.386 ( 1.511 4.035 0.000) 4.309 24.439 ( 2.977 -1.065 0.000) 3.162 24.679 ( -4.103 8.234 0.000) 9.200 24.854 ( -3.756 -9.722 0.000) 10.422 25.359 ( 7.548 5.078 0.000) 9.097 25.473 ( 9.028 -6.382 0.000) 11.056 25.537 ( -1.207 12.971 0.000) 13.028 25.770 ( -1.309 -10.752 0.000) 10.832 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 8.869 4.715 0.000) 10.044 1.973 ( 6.196 6.322 0.000) 8.852 1.987 ( 2.979 1.282 0.000) 3.243 2.036 ( -0.296 -0.295 0.000) 0.418 2.128 ( 0.800 10.641 0.000) 10.671 2.192 ( -2.418 8.413 0.000) 8.754 2.258 ( 6.358 -3.461 0.000) 7.238 2.342 ( -2.264 -4.151 0.000) 4.729 2.353 ( 2.718 0.791 0.000) 2.831 2.415 ( -3.322 3.414 0.000) 4.763 2.474 ( 0.517 -8.539 0.000) 8.554 2.500 ( -1.732 -3.262 0.000) 3.693 2.672 ( 2.709 10.796 0.000) 11.131 2.733 ( -2.707 11.737 0.000) 12.045 2.827 ( 3.964 5.439 0.000) 6.730 2.835 ( -0.315 9.602 0.000) 9.607 2.916 ( 3.088 -7.139 0.000) 7.778 2.961 ( 2.755 -10.343 0.000) 10.704 2.997 ( -1.682 -10.995 0.000) 11.123 3.042 ( -5.175 -8.369 0.000) 9.840 3.240 ( 4.035 4.330 0.000) 5.919 3.305 ( 4.646 -1.366 0.000) 4.842 3.332 ( -2.871 2.053 0.000) 3.530 3.380 ( -1.203 -1.595 0.000) 1.998 3.390 ( 1.195 3.704 0.000) 3.892 3.421 ( -3.938 2.959 0.000) 4.926 3.491 ( -1.619 -2.338 0.000) 2.844 3.494 ( 4.392 -5.840 0.000) 7.307 3.576 ( 3.204 1.943 0.000) 3.747 3.626 ( -0.329 -3.001 0.000) 3.019 3.697 ( -8.260 2.269 0.000) 8.566 3.746 ( -9.441 -3.065 0.000) 9.926 4.094 ( 2.909 12.022 0.000) 12.369 4.109 ( 4.639 15.914 0.000) 16.577 4.315 ( 2.968 13.891 0.000) 14.204 4.321 ( 5.883 -9.583 0.000) 11.245 4.377 ( 2.620 -6.539 0.000) 7.044 4.486 ( -9.243 11.697 0.000) 14.909 4.627 ( 0.492 -12.315 0.000) 12.325 4.689 ( -3.743 -7.870 0.000) 8.715 4.987 ( 3.308 4.389 0.000) 5.496 5.035 ( -1.863 1.968 0.000) 2.710 5.067 ( 1.253 -3.430 0.000) 3.651 5.067 ( 0.924 -1.442 0.000) 1.713 5.442 ( 0.865 5.293 0.000) 5.363 5.468 ( -2.359 4.746 0.000) 5.300 5.571 ( -0.810 -6.406 0.000) 6.457 5.580 ( -1.443 -9.768 0.000) 9.874 7.468 ( 2.812 0.994 0.000) 2.983 7.507 ( -0.958 1.150 0.000) 1.497 7.511 ( 3.423 -3.311 0.000) 4.762 7.553 ( -0.821 -3.434 0.000) 3.531 7.760 ( 2.207 3.601 0.000) 4.224 7.790 ( 0.075 2.158 0.000) 2.159 7.805 ( -1.264 0.471 0.000) 1.349 7.805 ( 0.076 -0.879 0.000) 0.882 10.859 ( 1.590 0.646 0.000) 1.716 10.885 ( 1.891 -1.953 0.000) 2.718 10.897 ( -2.401 1.097 0.000) 2.640 10.929 ( -2.608 -2.078 0.000) 3.335 11.087 ( 1.254 1.239 0.000) 1.763 11.118 ( 1.203 -1.799 0.000) 2.164 11.130 ( -2.994 1.126 0.000) 3.199 11.157 ( -2.851 -1.625 0.000) 3.282 11.320 ( 1.913 2.198 0.000) 2.915 11.348 ( 1.433 -0.647 0.000) 1.573 11.378 ( -3.784 1.605 0.000) 4.110 11.389 ( -2.697 0.488 0.000) 2.741 16.356 ( 0.393 0.449 0.000) 0.597 16.359 ( 0.083 0.566 0.000) 0.572 16.372 ( 0.466 -1.166 0.000) 1.256 16.375 ( 0.108 -1.086 0.000) 1.091 23.595 ( 0.244 4.167 0.000) 4.174 23.603 ( -0.438 3.382 0.000) 3.410 23.682 ( 0.244 -4.549 0.000) 4.555 23.693 ( -1.024 -5.675 0.000) 5.767 24.452 ( 5.140 5.475 0.000) 7.510 24.546 ( 7.846 -3.840 0.000) 8.735 24.571 ( -6.459 7.589 0.000) 9.966 24.719 ( -9.011 -7.371 0.000) 11.642 25.478 ( 4.308 7.425 0.000) 8.584 25.525 ( -0.870 10.597 0.000) 10.633 25.632 ( 6.828 -8.004 0.000) 10.520 25.730 ( -3.245 -9.981 0.000) 10.495 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 0.000 15.872) 15.872 0.540 ( 0.000 0.000 26.063) 26.063 0.862 ( 0.000 0.000 40.623) 40.623 0.898 ( 0.000 0.000 -2.586) 2.586 1.332 ( 0.000 0.000 8.825) 8.825 1.627 ( 0.000 0.000 11.759) 11.759 1.651 ( 0.000 0.000 -3.518) 3.518 1.732 ( 0.000 0.000 0.545) 0.545 1.917 ( 0.000 0.000 -1.752) 1.752 2.000 ( 0.000 0.000 -6.469) 6.469 2.123 ( 0.000 0.000 3.179) 3.179 2.341 ( 0.000 0.000 -8.816) 8.816 2.369 ( 0.000 0.000 -3.626) 3.626 2.567 ( 0.000 0.000 -0.062) 0.062 2.589 ( 0.000 0.000 -0.421) 0.421 2.730 ( 0.000 0.000 3.745) 3.745 2.877 ( 0.000 0.000 -8.501) 8.501 3.038 ( 0.000 0.000 4.132) 4.132 3.065 ( 0.000 0.000 3.501) 3.501 3.082 ( 0.000 0.000 -0.743) 0.743 3.191 ( 0.000 0.000 -4.339) 4.339 3.251 ( 0.000 0.000 3.403) 3.403 3.391 ( 0.000 0.000 -8.790) 8.790 3.401 ( 0.000 0.000 -0.846) 0.846 3.432 ( 0.000 0.000 -2.684) 2.684 3.477 ( 0.000 0.000 0.927) 0.927 3.594 ( 0.000 0.000 0.252) 0.252 3.635 ( 0.000 0.000 -0.355) 0.355 3.647 ( 0.000 0.000 2.493) 2.493 3.692 ( 0.000 0.000 -7.246) 7.246 3.755 ( 0.000 0.000 5.193) 5.193 3.820 ( 0.000 0.000 -13.189) 13.189 4.067 ( 0.000 0.000 1.806) 1.806 4.072 ( 0.000 0.000 0.544) 0.544 4.138 ( 0.000 0.000 1.796) 1.796 4.155 ( 0.000 0.000 -1.181) 1.181 4.395 ( 0.000 0.000 -8.733) 8.733 4.443 ( 0.000 0.000 1.395) 1.395 4.490 ( 0.000 0.000 -4.329) 4.329 4.524 ( 0.000 0.000 -0.478) 0.478 4.737 ( 0.000 0.000 7.659) 7.659 4.929 ( 0.000 0.000 4.219) 4.219 5.098 ( 0.000 0.000 1.923) 1.923 5.253 ( 0.000 0.000 -3.183) 3.183 5.576 ( 0.000 0.000 0.899) 0.899 5.638 ( 0.000 0.000 -1.060) 1.060 5.822 ( 0.000 0.000 14.828) 14.828 6.828 ( 0.000 0.000 -9.551) 9.551 7.189 ( 0.000 0.000 0.973) 0.973 7.261 ( 0.000 0.000 -0.699) 0.699 7.486 ( 0.000 0.000 1.696) 1.696 7.508 ( 0.000 0.000 1.850) 1.850 7.546 ( 0.000 0.000 1.220) 1.220 7.626 ( 0.000 0.000 -1.476) 1.476 7.796 ( 0.000 0.000 1.004) 1.004 7.959 ( 0.000 0.000 -2.154) 2.154 10.974 ( 0.000 0.000 -1.428) 1.428 10.974 ( 0.000 0.000 -0.731) 0.731 10.998 ( 0.000 0.000 0.403) 0.403 11.032 ( 0.000 0.000 -0.377) 0.377 11.039 ( 0.000 0.000 1.449) 1.449 11.053 ( 0.000 0.000 0.341) 0.341 11.182 ( 0.000 0.000 0.268) 0.268 11.205 ( 0.000 0.000 -0.253) 0.253 11.308 ( 0.000 0.000 -0.859) 0.859 11.342 ( 0.000 0.000 -2.353) 2.353 11.452 ( 0.000 0.000 2.826) 2.826 11.527 ( 0.000 0.000 0.322) 0.322 16.353 ( 0.000 0.000 0.576) 0.576 16.393 ( 0.000 0.000 0.139) 0.139 16.405 ( 0.000 0.000 -0.429) 0.429 16.417 ( 0.000 0.000 -0.243) 0.243 23.507 ( 0.000 0.000 3.998) 3.998 23.863 ( 0.000 0.000 -4.308) 4.308 23.977 ( 0.000 0.000 0.112) 0.112 24.000 ( 0.000 0.000 -0.723) 0.723 24.050 ( 0.000 0.000 1.412) 1.412 24.136 ( 0.000 0.000 -0.851) 0.851 24.565 ( 0.000 0.000 3.069) 3.069 24.879 ( 0.000 0.000 -6.058) 6.058 25.225 ( 0.000 0.000 7.002) 7.002 25.415 ( 0.000 0.000 1.166) 1.166 25.631 ( 0.000 0.000 -1.224) 1.224 25.715 ( 0.000 0.000 -3.396) 3.396 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 21.626 0.000 9.020) 23.431 0.681 ( 16.803 0.000 16.657) 23.660 0.879 ( -0.272 0.000 4.737) 4.745 1.319 ( 35.961 0.000 26.606) 44.734 1.417 ( 3.585 0.000 2.679) 4.476 1.577 ( 0.605 0.000 10.690) 10.707 1.704 ( 4.967 0.000 -2.964) 5.784 1.799 ( 4.693 0.000 1.398) 4.897 1.949 ( 3.297 0.000 -2.344) 4.045 2.019 ( 1.639 0.000 -4.891) 5.158 2.162 ( 4.251 0.000 2.978) 5.190 2.350 ( -1.987 0.000 -4.762) 5.160 2.380 ( 3.792 0.000 -5.882) 6.998 2.569 ( -2.629 0.000 -1.331) 2.947 2.574 ( -0.373 0.000 -0.893) 0.968 2.739 ( 0.931 0.000 4.133) 4.236 2.848 ( -5.577 0.000 -5.520) 7.847 2.926 ( -4.835 0.000 4.237) 6.429 2.981 ( -10.166 0.000 1.719) 10.310 3.063 ( -1.831 0.000 3.061) 3.567 3.176 ( -13.942 0.000 11.284) 17.936 3.236 ( 2.220 0.000 -4.119) 4.679 3.280 ( 6.169 0.000 -1.001) 6.249 3.392 ( -0.627 0.000 -6.913) 6.941 3.438 ( 2.134 0.000 -2.843) 3.555 3.446 ( 1.043 0.000 -2.583) 2.786 3.561 ( -2.780 0.000 0.698) 2.867 3.600 ( -1.731 0.000 4.818) 5.119 3.629 ( -0.993 0.000 -0.725) 1.230 3.725 ( 1.486 0.000 -7.624) 7.768 3.778 ( -0.406 0.000 2.172) 2.210 3.890 ( 1.348 0.000 -8.700) 8.804 4.006 ( 0.602 0.000 1.912) 2.005 4.049 ( 0.028 0.000 2.327) 2.327 4.226 ( 5.077 0.000 -1.851) 5.404 4.253 ( 7.871 0.000 -0.598) 7.894 4.350 ( -3.265 0.000 -4.430) 5.503 4.430 ( -1.290 0.000 1.452) 1.942 4.450 ( -4.346 0.000 -1.751) 4.685 4.516 ( -0.810 0.000 -0.553) 0.981 4.734 ( 3.826 0.000 8.900) 9.687 4.840 ( -8.043 0.000 1.188) 8.130 5.106 ( -1.014 0.000 3.294) 3.446 5.214 ( -3.387 0.000 -3.275) 4.711 5.385 ( -9.740 0.000 7.482) 12.282 5.770 ( 4.739 0.000 0.952) 4.834 5.796 ( 2.895 0.000 9.048) 9.500 6.944 ( 0.642 0.000 -22.615) 22.624 7.200 ( 1.114 0.000 1.010) 1.503 7.276 ( 1.389 0.000 -0.728) 1.568 7.476 ( -0.980 0.000 1.638) 1.909 7.506 ( 0.491 0.000 3.078) 3.117 7.612 ( -1.432 0.000 -1.439) 2.031 7.635 ( 6.763 0.000 0.182) 6.765 7.820 ( 0.554 0.000 2.503) 2.563 7.999 ( 2.707 0.000 -1.020) 2.893 10.957 ( -1.084 0.000 0.026) 1.085 10.975 ( -0.012 0.000 -0.843) 0.843 10.999 ( 0.165 0.000 0.374) 0.408 11.030 ( -0.161 0.000 -0.332) 0.369 11.042 ( -0.181 0.000 0.536) 0.566 11.071 ( 1.870 0.000 0.798) 2.033 11.183 ( 0.115 0.000 0.235) 0.261 11.204 ( -0.102 0.000 -0.235) 0.257 11.311 ( -1.102 0.000 -4.373) 4.509 11.321 ( -1.712 0.000 -1.806) 2.489 11.403 ( -3.688 0.000 2.159) 4.274 11.480 ( -4.453 0.000 0.068) 4.454 16.354 ( 0.156 0.000 0.454) 0.480 16.391 ( -0.524 0.000 -0.374) 0.644 16.408 ( 1.122 0.000 0.314) 1.165 16.436 ( 1.234 0.000 -0.320) 1.275 23.503 ( 0.020 0.000 3.914) 3.914 23.834 ( -3.620 0.000 -1.381) 3.875 23.984 ( 0.658 0.000 0.076) 0.663 24.003 ( 0.221 0.000 -0.617) 0.656 24.048 ( -0.173 0.000 1.295) 1.306 24.057 ( -17.366 0.000 21.267) 27.457 24.129 ( -0.749 0.000 -0.802) 1.097 24.829 ( -7.648 0.000 -9.250) 12.002 25.250 ( 5.455 0.000 9.926) 11.326 25.503 ( 6.534 0.000 3.166) 7.261 25.752 ( 3.878 0.000 -3.920) 5.514 26.149 ( 19.053 0.000 -23.956) 30.608 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 4.595 0.000 11.727) 12.595 1.073 ( 19.382 0.000 8.805) 21.288 1.085 ( 22.553 0.000 5.779) 23.281 1.358 ( -3.925 0.000 4.659) 6.091 1.737 ( 10.522 0.000 0.923) 10.562 1.800 ( 4.841 0.000 -3.737) 6.116 1.891 ( 4.299 0.000 1.456) 4.539 2.046 ( 1.580 0.000 -4.118) 4.411 2.048 ( 6.022 0.000 -2.708) 6.603 2.073 ( 37.825 0.000 17.271) 41.582 2.233 ( 1.022 0.000 -4.189) 4.311 2.292 ( -3.916 0.000 -6.474) 7.567 2.432 ( -4.704 0.000 -4.894) 6.788 2.441 ( -10.743 0.000 -1.341) 10.826 2.548 ( 4.218 0.000 3.518) 5.493 2.689 ( -7.708 0.000 2.144) 8.001 2.771 ( 2.377 0.000 4.944) 5.486 2.872 ( -0.012 0.000 3.075) 3.075 2.903 ( 0.298 0.000 -0.792) 0.846 2.987 ( -6.315 0.000 5.360) 8.283 3.011 ( -3.082 0.000 2.008) 3.679 3.222 ( -2.261 0.000 -3.541) 4.201 3.346 ( -4.979 0.000 -2.583) 5.609 3.425 ( -2.163 0.000 -2.282) 3.144 3.444 ( 7.656 0.000 -6.262) 9.890 3.485 ( 2.191 0.000 -2.643) 3.433 3.513 ( -2.363 0.000 0.557) 2.428 3.594 ( -2.119 0.000 -1.157) 2.414 3.619 ( 1.728 0.000 2.622) 3.140 3.707 ( -2.523 0.000 -1.065) 2.738 3.780 ( -0.782 0.000 -2.539) 2.657 3.879 ( 2.278 0.000 -2.122) 3.113 4.098 ( 4.600 0.000 3.248) 5.631 4.104 ( -0.606 0.000 -1.180) 1.326 4.194 ( -5.655 0.000 1.559) 5.866 4.317 ( 3.552 0.000 -2.261) 4.210 4.364 ( -0.661 0.000 0.607) 0.898 4.394 ( -2.058 0.000 1.767) 2.713 4.414 ( 4.685 0.000 -0.907) 4.772 4.493 ( -1.522 0.000 -0.733) 1.689 4.749 ( 0.794 0.000 -1.603) 1.789 4.848 ( 5.574 0.000 5.967) 8.165 5.048 ( -4.620 0.000 2.408) 5.211 5.169 ( -2.035 0.000 -3.798) 4.309 5.219 ( -6.033 0.000 6.918) 9.179 5.689 ( -7.517 0.000 13.687) 15.615 6.012 ( 12.961 0.000 -8.941) 15.745 6.834 ( -10.441 0.000 -20.452) 22.964 7.231 ( 2.014 0.000 1.078) 2.284 7.307 ( 1.413 0.000 -0.546) 1.515 7.455 ( -0.748 0.000 1.227) 1.437 7.530 ( 2.101 0.000 4.550) 5.012 7.572 ( -2.570 0.000 -1.304) 2.882 7.728 ( -0.051 0.000 0.961) 0.962 7.842 ( 4.263 0.000 4.669) 6.322 8.032 ( 0.626 0.000 0.284) 0.688 10.941 ( -0.506 0.000 0.607) 0.791 10.972 ( -0.367 0.000 -0.047) 0.370 11.004 ( 0.309 0.000 0.286) 0.421 11.026 ( -0.308 0.000 -0.207) 0.371 11.046 ( 0.690 0.000 -0.469) 0.834 11.101 ( 0.974 0.000 -0.423) 1.062 11.186 ( 0.216 0.000 0.144) 0.260 11.201 ( -0.197 0.000 -0.183) 0.269 11.264 ( -2.818 0.000 -0.509) 2.864 11.276 ( -2.826 0.000 -3.199) 4.268 11.339 ( -2.886 0.000 -0.281) 2.899 11.384 ( -4.529 0.000 -0.368) 4.544 16.361 ( 0.517 0.000 0.243) 0.571 16.384 ( -0.250 0.000 -0.264) 0.363 16.434 ( 1.340 0.000 0.233) 1.360 16.457 ( 0.817 0.000 -0.273) 0.861 23.518 ( 1.578 0.000 3.991) 4.292 23.721 ( -5.839 0.000 9.414) 11.078 23.969 ( 3.120 0.000 1.771) 3.588 24.000 ( 0.856 0.000 0.000) 0.856 24.009 ( 0.498 0.000 -0.287) 0.575 24.045 ( -0.086 0.000 0.903) 0.907 24.108 ( -1.321 0.000 -0.660) 1.477 24.603 ( -13.970 0.000 -7.897) 16.047 25.419 ( 9.671 0.000 7.179) 12.044 25.608 ( 3.669 0.000 4.239) 5.607 25.871 ( 8.316 0.000 -4.253) 9.341 26.299 ( -0.006 0.000 -13.886) 13.886 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 6.909 0.000 14.098) 15.699 1.140 ( -6.912 0.000 13.975) 15.591 1.511 ( 20.229 0.000 1.264) 20.269 1.580 ( 20.619 0.000 -0.152) 20.620 1.804 ( -7.234 0.000 -0.235) 7.238 1.890 ( 2.359 0.000 -0.551) 2.422 1.919 ( -3.583 0.000 -0.796) 3.671 1.984 ( -6.377 0.000 0.709) 6.416 2.170 ( 1.910 0.000 -9.043) 9.243 2.193 ( -1.020 0.000 -9.426) 9.481 2.215 ( -2.707 0.000 -5.744) 6.350 2.265 ( -7.403 0.000 -6.098) 9.591 2.326 ( 5.873 0.000 1.995) 6.203 2.522 ( -10.223 0.000 -0.433) 10.232 2.692 ( 12.049 0.000 4.703) 12.935 2.747 ( 16.954 0.000 4.905) 17.649 2.803 ( -0.338 0.000 5.083) 5.095 2.893 ( -2.333 0.000 3.233) 3.986 2.921 ( 1.411 0.000 0.186) 1.424 2.957 ( -2.327 0.000 0.969) 2.521 2.987 ( 14.463 0.000 8.189) 16.620 3.198 ( 1.057 0.000 -1.564) 1.888 3.236 ( -5.550 0.000 1.267) 5.693 3.405 ( 0.723 0.000 0.008) 0.723 3.450 ( -3.436 0.000 0.824) 3.534 3.452 ( -14.311 0.000 0.592) 14.324 3.527 ( 1.932 0.000 -2.525) 3.179 3.560 ( -1.501 0.000 -1.824) 2.362 3.567 ( -3.046 0.000 -6.410) 7.097 3.611 ( -7.580 0.000 -3.084) 8.183 3.781 ( 3.690 0.000 2.649) 4.542 3.847 ( -3.037 0.000 4.401) 5.347 4.086 ( 6.791 0.000 -0.129) 6.792 4.203 ( 5.636 0.000 2.315) 6.093 4.209 ( -4.126 0.000 -0.186) 4.130 4.302 ( -4.209 0.000 0.877) 4.299 4.403 ( 7.158 0.000 -3.006) 7.764 4.409 ( 2.746 0.000 -0.720) 2.838 4.457 ( -2.165 0.000 -0.928) 2.355 4.492 ( 0.389 0.000 -1.029) 1.101 4.835 ( 6.630 0.000 0.452) 6.645 4.918 ( 2.163 0.000 -0.305) 2.184 4.945 ( -4.996 0.000 0.126) 4.997 5.022 ( -8.473 0.000 -4.983) 9.830 5.292 ( 9.050 0.000 11.697) 14.790 5.500 ( -11.147 0.000 13.138) 17.230 6.284 ( 14.885 0.000 -13.408) 20.034 6.579 ( -14.886 0.000 -17.032) 22.620 7.274 ( 2.329 0.000 1.030) 2.546 7.312 ( -1.130 0.000 0.467) 1.223 7.465 ( 1.871 0.000 -0.089) 1.873 7.516 ( -3.022 0.000 -0.970) 3.174 7.588 ( 3.817 0.000 5.347) 6.570 7.670 ( -4.245 0.000 4.970) 6.536 7.948 ( 5.044 0.000 1.361) 5.225 8.019 ( -2.124 0.000 0.444) 2.169 10.941 ( 0.544 0.000 0.854) 1.012 10.958 ( -0.978 0.000 0.567) 1.131 11.011 ( 0.399 0.000 0.143) 0.424 11.019 ( -0.400 0.000 -0.033) 0.402 11.069 ( 1.622 0.000 -1.777) 2.406 11.100 ( -1.123 0.000 -1.920) 2.224 11.191 ( 0.273 0.000 0.023) 0.274 11.196 ( -0.263 0.000 -0.094) 0.279 11.220 ( -0.984 0.000 0.252) 1.016 11.233 ( -1.806 0.000 -0.577) 1.896 11.300 ( -0.361 0.000 -0.820) 0.896 11.321 ( -2.158 0.000 -0.942) 2.355 16.371 ( 0.513 0.000 0.040) 0.515 16.379 ( -0.292 0.000 -0.130) 0.320 16.456 ( 0.864 0.000 0.054) 0.866 16.465 ( -0.040 0.000 -0.140) 0.145 23.562 ( 2.864 0.000 5.374) 6.090 23.628 ( -3.950 0.000 7.767) 8.714 24.012 ( 0.445 0.000 0.107) 0.457 24.017 ( 0.052 0.000 0.224) 0.230 24.052 ( 1.031 0.000 0.055) 1.032 24.079 ( -1.550 0.000 -0.426) 1.608 24.098 ( 9.611 0.000 -3.144) 10.113 24.328 ( -13.542 0.000 -5.682) 14.685 25.574 ( 5.703 0.000 4.667) 7.369 25.637 ( -0.808 0.000 4.074) 4.154 26.055 ( 9.792 0.000 -4.619) 10.827 26.223 ( -6.898 0.000 -7.555) 10.231 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 17.137 15.996) 23.442 0.740 ( 0.000 17.498 17.993) 25.098 1.028 ( 0.000 19.958 19.507) 27.908 1.101 ( 0.000 18.015 -0.630) 18.026 1.404 ( 0.000 5.826 5.500) 8.012 1.677 ( 0.000 7.499 5.264) 9.162 1.835 ( 0.000 10.785 0.981) 10.830 1.838 ( 0.000 8.734 -1.822) 8.922 2.000 ( 0.000 7.931 2.469) 8.306 2.075 ( 0.000 6.006 -7.120) 9.315 2.164 ( 0.000 5.849 5.232) 7.848 2.228 ( 0.000 -5.940 -5.944) 8.403 2.417 ( 0.000 0.686 -3.114) 3.189 2.593 ( 0.000 -0.770 -0.330) 0.838 2.642 ( 0.000 8.178 -2.381) 8.517 2.715 ( 0.000 -0.684 2.018) 2.131 2.919 ( 0.000 2.166 -6.873) 7.206 2.981 ( 0.000 -6.877 5.750) 8.964 3.041 ( 0.000 -1.877 1.062) 2.157 3.053 ( 0.000 -4.324 2.621) 5.056 3.148 ( 0.000 -3.797 -3.099) 4.901 3.170 ( 0.000 -0.924 5.667) 5.742 3.272 ( 0.000 -4.739 -2.702) 5.455 3.313 ( 0.000 6.810 1.651) 7.008 3.461 ( 0.000 -1.316 -2.761) 3.059 3.523 ( 0.000 -0.120 -3.200) 3.202 3.541 ( 0.000 -3.182 -1.793) 3.653 3.643 ( 0.000 1.463 3.475) 3.770 3.743 ( 0.000 -0.320 -1.191) 1.233 3.770 ( 0.000 3.600 -1.214) 3.799 3.813 ( 0.000 1.433 -9.659) 9.764 3.880 ( 0.000 3.162 -2.891) 4.284 4.039 ( 0.000 -0.740 -0.272) 0.789 4.065 ( 0.000 0.520 -1.625) 1.706 4.120 ( 0.000 -0.914 0.410) 1.002 4.197 ( 0.000 4.324 -0.093) 4.325 4.374 ( 0.000 -1.606 -7.212) 7.389 4.402 ( 0.000 2.401 -0.363) 2.428 4.530 ( 0.000 0.131 -0.614) 0.628 4.551 ( 0.000 0.631 -2.238) 2.325 4.921 ( 0.000 -0.573 4.576) 4.612 4.964 ( 0.000 12.654 -5.513) 13.802 5.123 ( 0.000 2.141 2.624) 3.387 5.232 ( 0.000 -2.093 -2.876) 3.557 5.561 ( 0.000 -1.318 1.255) 1.820 5.619 ( 0.000 -1.827 -1.980) 2.694 5.722 ( 0.000 -9.474 13.205) 16.252 6.580 ( 0.000 -17.175 -0.543) 17.184 7.235 ( 0.000 4.375 0.629) 4.420 7.287 ( 0.000 2.240 -0.553) 2.307 7.433 ( 0.000 -3.354 1.575) 3.705 7.483 ( 0.000 -0.706 0.331) 0.780 7.607 ( 0.000 3.934 0.928) 4.042 7.630 ( 0.000 -0.798 -0.452) 0.917 7.783 ( 0.000 -1.118 1.331) 1.739 7.957 ( 0.000 -0.267 -1.328) 1.355 10.916 ( 0.000 -2.806 -1.266) 3.078 10.928 ( 0.000 -3.049 -0.753) 3.141 11.005 ( 0.000 -0.092 0.380) 0.391 11.033 ( 0.000 -1.412 -0.044) 1.412 11.075 ( 0.000 1.289 0.123) 1.295 11.083 ( 0.000 3.276 -0.436) 3.305 11.205 ( 0.000 2.266 1.391) 2.659 11.245 ( 0.000 2.199 0.367) 2.229 11.303 ( 0.000 -0.210 -0.695) 0.726 11.350 ( 0.000 1.661 -2.183) 2.743 11.452 ( 0.000 0.172 2.518) 2.524 11.518 ( 0.000 -0.832 0.286) 0.880 16.350 ( 0.000 -0.326 0.547) 0.637 16.389 ( 0.000 -0.382 0.171) 0.418 16.396 ( 0.000 -0.876 -0.374) 0.952 16.407 ( 0.000 -0.978 -0.187) 0.995 23.465 ( 0.000 -2.482 3.076) 3.953 23.827 ( 0.000 -3.078 -4.537) 5.482 23.871 ( 0.000 -7.124 12.203) 14.130 24.051 ( 0.000 6.513 0.019) 6.513 24.077 ( 0.000 4.317 0.417) 4.337 24.140 ( 0.000 0.060 -0.611) 0.614 24.596 ( 0.000 2.980 2.736) 4.045 24.886 ( 0.000 0.641 -6.117) 6.151 25.205 ( 0.000 -2.460 6.884) 7.310 25.377 ( 0.000 -3.201 1.470) 3.522 25.667 ( 0.000 -4.649 -2.980) 5.522 25.814 ( 0.000 8.659 -13.229) 15.811 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 10.829 13.267 13.276) 21.669 0.854 ( 15.047 14.028 11.950) 23.791 1.059 ( -2.010 15.881 5.213) 16.836 1.447 ( 30.329 12.276 11.059) 34.538 1.517 ( 6.949 7.697 0.552) 10.384 1.718 ( 3.086 11.509 12.529) 17.291 1.772 ( 1.514 8.251 -3.042) 8.923 1.917 ( 4.462 9.083 -1.355) 10.210 2.034 ( 3.570 7.480 -0.725) 8.320 2.111 ( 2.648 8.418 -2.485) 9.168 2.198 ( 3.989 4.029 2.482) 6.189 2.273 ( 3.758 -3.448 -4.050) 6.513 2.404 ( -0.876 0.255 -3.422) 3.541 2.593 ( -0.261 0.531 -0.873) 1.055 2.637 ( -1.407 6.627 -1.690) 6.982 2.708 ( -0.274 -2.039 2.912) 3.565 2.824 ( -10.587 -1.412 0.499) 10.692 2.923 ( -1.907 -0.663 -0.913) 2.216 3.017 ( -3.057 -6.523 6.714) 9.847 3.074 ( -0.576 1.878 0.883) 2.154 3.103 ( -6.691 6.580 2.267) 9.655 3.203 ( 4.420 -3.529 -3.279) 6.538 3.270 ( 2.735 -0.235 -2.017) 3.406 3.313 ( 0.259 -1.730 -2.353) 2.932 3.467 ( 0.239 -2.605 -1.303) 2.923 3.486 ( -2.626 -0.456 -5.462) 6.078 3.533 ( -0.958 -0.944 1.094) 1.734 3.613 ( -2.635 1.551 1.439) 3.379 3.702 ( -4.837 4.559 -0.226) 6.651 3.736 ( 0.229 -1.402 -2.016) 2.467 3.821 ( -2.315 3.515 -0.886) 4.301 3.887 ( 2.275 0.238 -5.930) 6.356 3.971 ( -1.759 -1.796 1.654) 3.009 4.054 ( 0.081 0.276 -0.722) 0.777 4.153 ( 2.579 -4.552 -1.547) 5.455 4.309 ( 6.122 3.815 2.174) 7.534 4.341 ( -2.287 -1.073 -7.407) 7.826 4.406 ( 0.736 3.291 -1.405) 3.653 4.524 ( -1.074 0.832 0.391) 1.414 4.567 ( 0.261 2.752 -3.306) 4.309 4.827 ( -3.539 3.426 7.040) 8.591 4.892 ( -5.534 9.212 -0.376) 10.753 5.121 ( -1.537 0.898 3.380) 3.820 5.205 ( -2.562 -0.924 -2.920) 3.993 5.384 ( -9.497 0.197 7.540) 12.128 5.685 ( -0.310 -8.597 7.627) 11.497 5.757 ( 7.083 -3.161 0.164) 7.758 6.708 ( 3.396 -19.011 -13.282) 23.439 7.256 ( 1.864 4.829 0.881) 5.251 7.308 ( 2.116 2.883 -0.600) 3.626 7.439 ( 0.864 -1.266 1.098) 1.886 7.520 ( 2.886 -1.363 0.652) 3.257 7.623 ( -0.814 0.376 -0.480) 1.017 7.664 ( 4.380 2.876 0.034) 5.240 7.778 ( -0.423 -2.827 2.731) 3.953 7.979 ( 1.676 -1.677 -0.698) 2.471 10.915 ( 0.039 -2.939 -0.318) 2.957 10.942 ( 0.744 -2.154 -0.896) 2.449 11.012 ( 0.759 -0.337 0.463) 0.951 11.029 ( -0.087 -1.102 0.228) 1.129 11.066 ( -0.834 2.486 -0.095) 2.624 11.087 ( 0.308 1.772 -0.042) 1.799 11.197 ( -0.774 1.179 0.914) 1.681 11.237 ( -0.620 2.337 0.191) 2.425 11.295 ( -0.851 -0.745 -2.564) 2.802 11.325 ( -2.411 0.860 -1.383) 2.910 11.409 ( -3.430 0.710 1.793) 3.935 11.469 ( -4.610 -0.930 0.136) 4.705 16.351 ( 0.165 -0.305 0.433) 0.555 16.384 ( -0.510 -0.696 -0.293) 0.912 16.402 ( 1.116 -0.530 0.261) 1.262 16.426 ( 1.221 -1.006 -0.261) 1.604 23.474 ( 1.000 -1.871 3.004) 3.678 23.779 ( -4.181 -3.903 4.880) 7.518 23.879 ( 0.587 -4.425 3.864) 5.904 24.045 ( -0.082 5.474 0.065) 5.475 24.077 ( 0.077 4.884 -0.192) 4.888 24.122 ( -1.696 -0.228 -0.502) 1.784 24.345 ( -13.408 13.438 5.109) 19.658 24.847 ( -5.728 2.158 -8.877) 10.783 25.248 ( 5.825 -0.092 9.472) 11.120 25.446 ( 5.429 -5.377 3.294) 8.320 25.703 ( 3.908 -4.752 -3.677) 7.167 26.076 ( 14.276 -5.397 -16.814) 22.708 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.598 14.549 8.665) 17.132 1.104 ( 20.222 5.166 3.291) 21.129 1.191 ( 15.008 9.276 9.660) 20.114 1.522 ( -1.042 12.867 6.431) 14.422 1.820 ( 4.923 3.189 -3.707) 6.939 1.851 ( 11.940 9.223 0.273) 15.089 1.989 ( 6.240 7.392 -0.683) 9.698 2.069 ( 10.463 6.006 -1.952) 12.221 2.138 ( 2.261 7.979 -2.798) 8.753 2.213 ( 13.298 6.476 4.497) 15.459 2.266 ( 0.691 3.876 -3.837) 5.498 2.329 ( 7.797 7.628 1.420) 11.000 2.416 ( -0.185 1.003 -1.783) 2.054 2.513 ( -7.676 3.694 -1.357) 8.626 2.600 ( -0.767 4.459 2.585) 5.211 2.654 ( -3.498 -1.949 2.573) 4.760 2.719 ( 1.135 -3.590 3.928) 5.441 2.863 ( -3.722 -5.184 5.276) 8.280 2.932 ( -4.129 6.014 -1.069) 7.373 3.021 ( -1.184 3.716 2.096) 4.428 3.051 ( -0.803 4.350 0.269) 4.432 3.212 ( -2.481 -0.334 -5.151) 5.727 3.294 ( -1.158 -3.330 -3.102) 4.696 3.391 ( 4.497 -3.419 -2.066) 6.015 3.444 ( -2.352 -1.369 -4.727) 5.454 3.467 ( -0.207 -3.799 -0.063) 3.805 3.500 ( -2.853 2.179 -1.103) 3.755 3.576 ( 1.088 -1.341 2.591) 3.114 3.670 ( -0.018 3.168 -0.237) 3.176 3.727 ( -3.963 0.409 -0.729) 4.051 3.779 ( 0.620 -1.134 0.016) 1.293 3.848 ( -0.858 -1.121 0.099) 1.415 4.051 ( 4.725 -3.481 -3.913) 7.053 4.109 ( 4.629 -2.902 -0.233) 5.469 4.167 ( -7.297 -3.830 0.591) 8.262 4.224 ( -4.006 -0.519 0.308) 4.051 4.352 ( -0.237 1.419 5.014) 5.216 4.468 ( 2.960 4.365 -3.019) 6.077 4.511 ( 2.555 3.962 -2.115) 5.167 4.559 ( -0.751 5.798 -2.176) 6.238 4.781 ( 0.473 2.416 -0.321) 2.483 4.899 ( 3.826 5.724 6.111) 9.205 5.067 ( -3.958 1.594 0.761) 4.334 5.175 ( 0.924 -0.037 2.591) 2.751 5.216 ( -8.401 0.779 2.796) 8.888 5.622 ( -5.952 -6.345 11.350) 14.301 5.937 ( 10.627 -6.928 -7.691) 14.835 6.642 ( -8.581 -16.385 -15.241) 23.967 7.300 ( 2.664 5.859 0.820) 6.488 7.360 ( 2.882 4.408 -0.937) 5.349 7.471 ( 2.139 0.739 1.184) 2.554 7.546 ( -0.071 1.201 0.943) 1.528 7.594 ( -2.011 2.178 -0.279) 2.977 7.721 ( -1.322 -0.634 0.894) 1.717 7.799 ( 4.856 -3.501 4.010) 7.206 7.999 ( 0.106 -3.160 0.168) 3.166 10.917 ( 0.236 -2.012 0.655) 2.129 10.948 ( -0.063 -1.605 -0.200) 1.618 11.025 ( 0.411 -0.359 0.559) 0.781 11.039 ( 0.448 -0.207 -0.091) 0.502 11.048 ( -0.292 2.071 -0.775) 2.231 11.090 ( -0.136 0.052 -0.172) 0.226 11.179 ( -0.636 -0.814 -0.169) 1.047 11.229 ( -0.314 2.287 -0.939) 2.492 11.255 ( -2.982 -0.731 -0.297) 3.084 11.282 ( -1.753 1.023 -1.612) 2.592 11.345 ( -3.107 0.681 0.072) 3.182 11.367 ( -4.799 -1.317 -0.083) 4.977 16.357 ( 0.498 -0.311 0.236) 0.633 16.378 ( -0.193 -0.579 -0.210) 0.646 16.427 ( 1.264 -0.658 0.218) 1.441 16.447 ( 0.833 -1.011 -0.220) 1.328 23.504 ( 2.086 -1.033 3.443) 4.156 23.692 ( -4.307 -2.066 8.269) 9.550 23.899 ( 1.710 -3.872 -0.548) 4.268 24.055 ( 0.634 4.058 -0.108) 4.108 24.077 ( -2.398 -1.650 -0.869) 3.038 24.095 ( 1.297 6.942 -1.460) 7.212 24.193 ( -2.850 10.461 3.307) 11.335 24.669 ( -11.425 6.636 -7.972) 15.431 25.403 ( 8.385 -1.443 7.148) 11.113 25.543 ( 3.785 -6.261 4.800) 8.751 25.825 ( 8.470 -4.469 -4.072) 10.406 26.219 ( 1.242 -7.140 -11.624) 13.698 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.479 12.158 9.838) 16.572 1.242 ( -4.743 9.171 8.384) 13.300 1.526 ( 19.909 4.077 1.463) 20.375 1.712 ( 17.297 9.954 3.536) 20.268 1.825 ( -7.528 2.628 -0.742) 8.008 1.994 ( -2.177 8.325 -0.417) 8.615 2.031 ( -1.222 8.889 -1.489) 9.095 2.069 ( -5.558 5.879 -2.040) 8.343 2.198 ( 1.573 4.291 -6.664) 8.081 2.213 ( -2.169 5.386 -4.285) 7.216 2.288 ( 3.290 6.586 -5.171) 8.997 2.321 ( 2.514 3.039 0.747) 4.014 2.391 ( -3.389 6.513 -4.045) 8.382 2.525 ( -8.355 1.058 -0.334) 8.428 2.693 ( 5.984 -0.998 5.368) 8.101 2.729 ( 0.600 -4.817 3.832) 6.184 2.802 ( 8.545 2.045 2.680) 9.186 2.829 ( 2.020 -2.332 2.409) 3.914 2.911 ( 5.198 3.496 -0.662) 6.299 2.999 ( -1.878 3.110 -0.926) 3.749 3.120 ( 10.226 8.272 6.519) 14.680 3.197 ( 3.028 0.760 -2.995) 4.326 3.236 ( -4.153 0.376 0.041) 4.171 3.389 ( -2.886 -1.967 0.856) 3.596 3.410 ( -2.162 -1.678 0.370) 2.762 3.437 ( -2.727 -2.980 -1.160) 4.203 3.476 ( 1.162 -2.183 -2.626) 3.607 3.596 ( -2.355 0.395 -4.540) 5.129 3.611 ( -3.728 2.409 -1.912) 4.833 3.650 ( -10.324 4.308 0.857) 11.219 3.773 ( 3.788 -0.538 3.101) 4.925 3.849 ( -3.158 0.424 4.757) 5.725 3.994 ( 1.483 -5.534 2.950) 6.444 4.068 ( -3.446 -7.277 0.315) 8.057 4.204 ( 3.789 -8.763 -0.113) 9.547 4.234 ( 0.580 -6.786 -1.231) 6.921 4.397 ( 4.599 5.514 2.231) 7.519 4.487 ( -3.670 7.313 -1.820) 8.382 4.539 ( 3.885 5.915 -4.722) 8.508 4.586 ( 0.806 4.625 -1.115) 4.826 4.861 ( 6.430 2.117 1.559) 6.947 4.946 ( 0.439 2.299 -0.576) 2.410 4.979 ( -3.538 3.647 0.015) 5.081 5.048 ( -7.952 2.714 -2.619) 8.801 5.277 ( 8.478 -1.283 10.095) 13.245 5.464 ( -9.677 -3.396 11.246) 15.220 6.165 ( 12.759 -10.899 -11.538) 20.364 6.422 ( -13.065 -13.980 -13.908) 23.655 7.357 ( 2.963 7.008 0.088) 7.609 7.396 ( -0.150 6.859 -1.018) 6.936 7.500 ( 1.247 3.362 -0.375) 3.606 7.538 ( -1.935 1.756 -0.516) 2.664 7.581 ( 2.655 -0.205 4.416) 5.156 7.656 ( -4.225 -1.075 4.295) 6.120 7.906 ( 4.950 -4.030 1.265) 6.507 7.978 ( -2.352 -3.991 0.428) 4.652 10.926 ( 0.682 -1.368 0.975) 1.813 10.941 ( -0.651 -1.463 0.466) 1.667 11.025 ( -0.163 0.637 -0.374) 0.757 11.030 ( -0.505 0.789 -0.397) 1.017 11.067 ( 1.124 -0.186 -0.956) 1.487 11.083 ( -0.509 -1.477 -1.086) 1.903 11.185 ( 1.078 -0.281 -0.170) 1.127 11.206 ( -1.180 0.085 -0.004) 1.183 11.222 ( -0.804 1.259 -0.207) 1.508 11.240 ( -2.500 0.420 0.261) 2.549 11.297 ( -0.446 0.004 -0.845) 0.956 11.313 ( -1.590 -0.407 -0.924) 1.883 16.368 ( 0.473 -0.370 0.049) 0.603 16.374 ( -0.239 -0.465 -0.100) 0.532 16.447 ( 0.790 -0.813 0.069) 1.136 16.455 ( 0.012 -0.942 -0.101) 0.947 23.554 ( 2.908 -0.700 4.875) 5.720 23.616 ( -3.531 -0.971 6.908) 7.819 23.948 ( 3.182 -5.186 -1.270) 6.215 24.015 ( -3.494 -4.762 -1.047) 5.998 24.070 ( 0.890 5.110 0.116) 5.188 24.092 ( -1.264 6.752 -0.009) 6.869 24.250 ( 7.521 9.790 -1.787) 12.474 24.440 ( -11.409 9.497 -5.361) 15.783 25.534 ( 4.629 -3.747 4.843) 7.677 25.580 ( -0.126 -5.379 4.533) 7.036 26.009 ( 9.500 -4.463 -4.319) 11.350 26.165 ( -5.984 -5.483 -6.856) 10.624 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 11.499 15.843) 19.576 1.125 ( 0.000 20.089 10.244) 22.550 1.424 ( 0.000 12.244 2.919) 12.587 1.502 ( 0.000 21.332 -0.009) 21.332 1.535 ( 0.000 11.080 -1.200) 11.144 1.935 ( 0.000 14.285 7.434) 16.104 1.978 ( 0.000 3.884 -6.321) 7.419 2.028 ( 0.000 12.927 -3.159) 13.308 2.104 ( 0.000 -2.653 -6.581) 7.095 2.174 ( 0.000 -0.678 -1.262) 1.433 2.190 ( 0.000 10.579 6.114) 12.219 2.354 ( 0.000 10.722 8.220) 13.510 2.469 ( 0.000 4.905 -4.637) 6.750 2.552 ( 0.000 -1.837 3.332) 3.805 2.750 ( 0.000 4.498 0.390) 4.515 2.828 ( 0.000 -5.166 5.938) 7.871 2.833 ( 0.000 8.158 -2.982) 8.686 2.894 ( 0.000 -3.910 -7.328) 8.306 2.974 ( 0.000 -3.149 1.777) 3.616 3.040 ( 0.000 -1.323 -1.672) 2.132 3.092 ( 0.000 -2.929 -1.240) 3.180 3.210 ( 0.000 4.695 3.807) 6.044 3.224 ( 0.000 -3.447 3.200) 4.703 3.387 ( 0.000 -3.071 -4.968) 5.840 3.441 ( 0.000 -0.136 -1.370) 1.377 3.497 ( 0.000 2.143 2.251) 3.108 3.503 ( 0.000 0.383 -1.480) 1.529 3.686 ( 0.000 -4.135 0.110) 4.136 3.695 ( 0.000 3.421 1.144) 3.607 3.820 ( 0.000 4.439 -5.263) 6.886 3.831 ( 0.000 -2.788 -3.758) 4.680 3.935 ( 0.000 6.930 -3.314) 7.681 4.056 ( 0.000 1.109 -0.197) 1.127 4.087 ( 0.000 1.831 -3.962) 4.365 4.118 ( 0.000 -0.641 5.016) 5.057 4.281 ( 0.000 3.750 -5.299) 6.491 4.345 ( 0.000 -0.990 -0.070) 0.993 4.477 ( 0.000 4.240 -3.749) 5.660 4.523 ( 0.000 -0.634 -1.822) 1.929 4.569 ( 0.000 2.034 -0.584) 2.116 4.916 ( 0.000 0.105 5.195) 5.196 5.101 ( 0.000 1.928 -2.040) 2.807 5.147 ( 0.000 -1.091 4.704) 4.828 5.179 ( 0.000 -2.641 -1.434) 3.005 5.491 ( 0.000 -10.544 2.372) 10.807 5.556 ( 0.000 -0.380 8.109) 8.117 5.577 ( 0.000 -2.321 -5.481) 5.952 6.264 ( 0.000 -15.580 -0.488) 15.588 7.325 ( 0.000 1.032 -0.459) 1.129 7.334 ( 0.000 4.444 -0.426) 4.464 7.374 ( 0.000 -1.925 1.578) 2.489 7.496 ( 0.000 1.969 -1.714) 2.610 7.599 ( 0.000 -1.879 0.249) 1.895 7.667 ( 0.000 1.916 -0.809) 2.080 7.770 ( 0.000 0.250 2.807) 2.818 7.947 ( 0.000 -0.746 -0.358) 0.828 10.868 ( 0.000 -2.943 -0.782) 3.045 10.869 ( 0.000 -2.152 -2.346) 3.183 11.000 ( 0.000 -0.329 0.331) 0.467 11.006 ( 0.000 -1.155 0.529) 1.271 11.088 ( 0.000 0.243 0.031) 0.245 11.124 ( 0.000 0.453 -2.582) 2.622 11.254 ( 0.000 1.989 1.946) 2.783 11.259 ( 0.000 -0.237 0.017) 0.237 11.328 ( 0.000 3.301 1.161) 3.499 11.407 ( 0.000 2.766 0.825) 2.887 11.469 ( 0.000 2.074 0.745) 2.204 11.503 ( 0.000 -0.369 0.107) 0.384 16.342 ( 0.000 -0.427 0.398) 0.584 16.372 ( 0.000 -1.359 -0.278) 1.387 16.381 ( 0.000 -0.610 0.116) 0.621 16.382 ( 0.000 -1.432 0.006) 1.432 23.440 ( 0.000 -0.017 0.280) 0.281 23.755 ( 0.000 -4.096 -4.648) 6.195 23.774 ( 0.000 -3.512 11.127) 11.668 24.100 ( 0.000 -3.496 -1.199) 3.696 24.189 ( 0.000 6.646 0.768) 6.691 24.215 ( 0.000 8.365 0.413) 8.375 24.662 ( 0.000 3.154 2.195) 3.843 24.901 ( 0.000 0.768 -5.342) 5.397 25.139 ( 0.000 -3.784 6.055) 7.140 25.334 ( 0.000 -0.306 1.162) 1.201 25.549 ( 0.000 -6.626 -1.075) 6.712 25.899 ( 0.000 0.983 -10.061) 10.109 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 8.911 12.564 10.531) 18.659 1.157 ( 7.917 16.421 10.009) 20.797 1.405 ( -3.249 17.665 1.739) 18.045 1.655 ( 11.275 6.931 2.100) 13.401 1.706 ( 14.775 13.305 -2.648) 20.058 1.935 ( -0.550 9.364 2.935) 9.828 2.034 ( 4.979 8.736 -3.506) 10.648 2.064 ( 4.668 8.718 -4.022) 10.676 2.153 ( 6.287 5.898 -1.991) 8.847 2.198 ( 3.333 -0.271 -0.523) 3.385 2.285 ( 7.539 7.320 3.525) 11.083 2.395 ( 4.016 10.607 6.534) 13.089 2.435 ( -2.048 3.509 -3.720) 5.509 2.579 ( 1.683 -0.473 3.885) 4.260 2.730 ( -1.702 4.906 0.588) 5.226 2.745 ( -7.098 0.927 0.516) 7.177 2.828 ( -0.612 4.153 0.923) 4.298 2.878 ( -6.703 -0.694 2.062) 7.047 2.940 ( 1.894 -4.179 -5.173) 6.915 3.097 ( 3.040 -2.067 -1.493) 3.968 3.150 ( 4.989 -0.119 0.303) 5.000 3.178 ( 0.447 1.239 0.831) 1.557 3.285 ( 2.829 -1.953 1.906) 3.930 3.330 ( -4.337 1.148 -0.794) 4.556 3.430 ( -0.095 0.291 -5.759) 5.767 3.474 ( 0.683 -5.035 3.558) 6.203 3.499 ( -6.370 7.103 -4.064) 10.370 3.644 ( -2.312 -0.994 0.286) 2.533 3.689 ( -1.108 0.719 0.555) 1.433 3.735 ( -3.551 -1.849 -1.892) 4.428 3.874 ( -3.297 2.102 -1.273) 4.112 3.916 ( 0.948 2.645 -0.565) 2.866 3.973 ( -5.501 2.306 0.008) 5.965 4.064 ( -1.192 0.450 -4.038) 4.234 4.099 ( -1.100 -0.679 1.019) 1.646 4.316 ( -1.113 -1.641 -3.174) 3.743 4.367 ( 3.946 1.597 0.510) 4.287 4.500 ( 2.418 5.173 -1.804) 5.989 4.531 ( 0.820 0.091 -2.039) 2.199 4.602 ( 2.593 2.177 -2.212) 4.044 4.866 ( -4.038 1.765 4.554) 6.337 5.063 ( -3.049 4.590 -0.990) 5.599 5.115 ( -1.870 -0.912 4.047) 4.551 5.181 ( -0.993 -1.432 -0.476) 1.806 5.388 ( -6.839 -2.328 8.445) 11.113 5.501 ( -0.418 -6.083 0.452) 6.115 5.686 ( 4.737 -3.778 -1.382) 6.214 6.327 ( 2.445 -18.987 -5.747) 19.987 7.342 ( 1.858 1.617 -0.305) 2.482 7.373 ( 3.437 3.993 -0.056) 5.269 7.426 ( 4.615 -0.584 0.652) 4.697 7.501 ( 1.066 1.133 -0.378) 1.601 7.607 ( 0.871 -1.555 0.460) 1.841 7.704 ( 2.116 0.215 -1.600) 2.662 7.756 ( -0.919 1.116 2.857) 3.201 7.944 ( -0.395 -1.697 -0.250) 1.760 10.861 ( 0.257 -2.445 -0.666) 2.547 10.895 ( 1.484 -2.498 -1.681) 3.357 10.998 ( -0.364 -0.838 1.378) 1.653 11.009 ( 0.548 -0.777 0.035) 0.952 11.090 ( 0.174 0.466 -0.121) 0.512 11.120 ( -0.560 0.323 -2.161) 2.255 11.219 ( -2.651 0.813 0.908) 2.918 11.261 ( -0.508 0.435 -0.178) 0.692 11.313 ( -1.368 2.728 0.568) 3.104 11.365 ( -3.393 2.455 1.275) 4.378 11.438 ( -2.935 2.362 0.510) 3.801 11.455 ( -4.451 -0.036 -0.080) 4.452 16.344 ( 0.211 -0.365 0.314) 0.525 16.366 ( -0.278 -1.134 -0.154) 1.178 16.389 ( 0.952 -0.781 0.142) 1.239 16.400 ( 1.137 -1.512 -0.076) 1.893 23.454 ( 1.355 -0.071 0.817) 1.584 23.715 ( -2.838 -2.697 4.980) 6.335 23.799 ( 1.416 -4.102 1.006) 4.454 24.073 ( -2.755 -4.223 -1.121) 5.165 24.172 ( -1.288 6.442 0.491) 6.587 24.211 ( 0.353 7.741 -0.543) 7.768 24.544 ( -8.806 7.354 3.192) 11.909 24.922 ( -0.040 5.269 -8.053) 9.623 25.224 ( 6.601 -4.627 5.541) 9.782 25.349 ( 2.247 -1.244 6.231) 6.740 25.579 ( 3.746 -7.427 -2.977) 8.835 25.983 ( 6.252 -4.213 -9.798) 12.363 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 13.276 10.614 0.157) 16.998 1.376 ( 3.689 14.584 4.812) 15.794 1.411 ( 11.927 14.763 7.414) 20.376 1.752 ( 2.327 9.900 6.881) 12.279 1.904 ( 2.380 5.177 -2.759) 6.331 2.058 ( 13.703 10.336 -3.517) 17.521 2.124 ( 3.625 6.303 -3.043) 7.882 2.192 ( 5.283 3.018 -1.761) 6.334 2.261 ( 2.211 3.093 -2.073) 4.330 2.298 ( 5.591 5.622 -2.285) 8.251 2.383 ( 1.060 5.409 -2.390) 6.007 2.450 ( 0.073 4.421 -5.082) 6.736 2.522 ( 6.841 1.824 2.577) 7.535 2.563 ( -9.166 1.727 2.174) 9.577 2.617 ( 4.500 1.235 8.500) 9.697 2.704 ( -2.261 7.037 4.192) 8.497 2.768 ( 0.392 2.021 3.287) 3.878 2.841 ( 3.111 11.922 1.066) 12.367 2.979 ( 1.469 -1.865 -5.970) 6.424 3.137 ( -1.341 5.236 -2.054) 5.783 3.158 ( -0.493 6.780 2.359) 7.195 3.216 ( 2.273 -0.653 -0.437) 2.405 3.286 ( -4.182 1.146 -6.535) 7.842 3.317 ( 0.434 -2.363 -1.266) 2.715 3.369 ( -0.657 -2.990 -1.296) 3.324 3.427 ( -1.149 0.054 -2.247) 2.525 3.523 ( 3.104 -1.252 2.379) 4.106 3.578 ( -4.139 2.995 -0.023) 5.109 3.665 ( -1.178 -4.170 1.293) 4.522 3.714 ( 1.615 -1.442 -0.061) 2.166 3.750 ( -6.008 0.149 2.775) 6.620 3.862 ( -3.846 0.962 3.305) 5.162 3.973 ( 2.208 -1.593 1.045) 2.917 4.050 ( -2.437 -5.648 -0.862) 6.212 4.064 ( -2.429 -1.850 -3.712) 4.806 4.297 ( -5.237 4.564 -2.281) 7.311 4.383 ( 1.876 0.898 4.839) 5.267 4.529 ( 0.980 0.779 1.460) 1.923 4.593 ( 4.964 5.383 -1.600) 7.495 4.654 ( 2.454 4.389 -6.057) 7.873 4.814 ( 0.246 0.787 0.664) 1.058 5.030 ( -0.475 5.084 1.636) 5.362 5.092 ( -0.892 0.560 0.912) 1.393 5.157 ( -0.453 -0.531 7.365) 7.398 5.270 ( -5.682 3.325 0.586) 6.609 5.477 ( -2.608 -6.764 4.562) 8.565 5.780 ( 5.435 -8.180 -5.243) 11.133 6.282 ( -6.717 -19.157 -9.064) 22.232 7.395 ( 3.485 1.891 -0.065) 3.966 7.453 ( 4.488 4.446 0.135) 6.319 7.507 ( 3.014 4.129 1.086) 5.226 7.550 ( 3.292 -0.790 -1.013) 3.534 7.626 ( 0.548 0.217 0.408) 0.717 7.688 ( -2.342 -2.283 1.990) 3.829 7.770 ( 1.449 1.013 0.167) 1.776 7.927 ( -1.586 -3.620 0.105) 3.954 10.875 ( 0.972 -2.112 0.422) 2.363 10.915 ( 0.360 -1.741 -0.787) 1.944 10.993 ( 0.109 -2.065 1.732) 2.698 11.027 ( 1.125 -0.928 -0.276) 1.484 11.073 ( -2.210 0.232 -0.829) 2.371 11.113 ( -0.296 0.991 -1.193) 1.579 11.166 ( -1.752 -0.290 0.059) 1.777 11.246 ( -1.633 0.088 -0.478) 1.704 11.272 ( -1.640 1.624 -0.335) 2.332 11.315 ( -2.381 1.795 0.947) 3.129 11.354 ( -4.224 0.822 -0.496) 4.331 11.374 ( -3.637 2.379 0.406) 4.365 16.351 ( 0.461 -0.330 0.180) 0.595 16.364 ( 0.007 -0.828 -0.087) 0.833 16.410 ( 1.046 -1.011 0.141) 1.462 16.420 ( 0.864 -1.590 -0.073) 1.811 23.491 ( 2.381 -0.127 2.103) 3.179 23.657 ( -3.003 -1.411 6.377) 7.188 23.823 ( 1.169 -4.030 -1.298) 4.392 23.999 ( -4.518 -5.401 -1.031) 7.117 24.165 ( 0.695 6.175 0.012) 6.214 24.246 ( 3.066 7.639 -2.867) 8.716 24.401 ( -4.803 9.842 3.713) 11.564 24.838 ( -8.311 9.500 -9.076) 15.547 25.351 ( 6.043 -6.225 4.264) 9.667 25.419 ( 3.889 -2.493 9.337) 10.417 25.710 ( 9.172 -6.903 -3.705) 12.062 26.066 ( 1.442 -7.782 -7.805) 11.116 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 3.337 14.842 0.514) 15.221 1.451 ( 0.854 11.834 -0.750) 11.888 1.673 ( 14.598 9.890 5.411) 18.444 1.882 ( 4.432 5.404 4.531) 8.329 1.922 ( 3.710 7.878 2.313) 9.010 2.138 ( -1.763 2.930 -3.041) 4.576 2.155 ( -4.850 6.749 -2.641) 8.721 2.171 ( -8.950 5.699 -1.376) 10.700 2.320 ( 6.876 4.937 -3.145) 9.030 2.375 ( 0.493 7.215 -0.721) 7.267 2.415 ( 5.619 6.465 0.594) 8.587 2.451 ( -0.436 5.934 -0.884) 6.015 2.479 ( 2.313 3.860 -3.323) 5.594 2.533 ( -2.762 -1.668 1.709) 3.651 2.634 ( -0.552 -1.878 1.931) 2.749 2.695 ( -2.590 2.149 0.557) 3.411 2.842 ( 4.412 5.101 2.929) 7.353 2.913 ( -2.073 8.790 1.738) 9.197 3.010 ( 3.023 1.115 -6.292) 7.069 3.052 ( -2.040 3.971 -6.955) 8.265 3.222 ( 1.407 4.849 -2.700) 5.725 3.272 ( -1.199 4.751 -3.272) 5.892 3.282 ( 4.561 -0.791 -2.313) 5.174 3.326 ( 1.676 -2.009 -0.720) 2.714 3.371 ( 1.707 -0.050 2.689) 3.186 3.402 ( -1.157 1.022 5.425) 5.640 3.496 ( 4.183 3.724 0.470) 5.620 3.583 ( 0.053 -0.526 -1.187) 1.299 3.598 ( -2.734 -3.004 0.034) 4.063 3.716 ( -2.187 1.010 3.005) 3.851 3.776 ( 2.687 0.695 1.661) 3.234 3.855 ( 3.414 -1.633 4.670) 6.011 3.912 ( -10.203 -2.591 2.829) 10.900 3.958 ( -5.091 -4.220 4.037) 7.748 4.045 ( 2.053 -5.387 2.382) 6.238 4.126 ( -6.836 0.052 3.203) 7.549 4.488 ( 6.041 1.918 -2.090) 6.673 4.560 ( -0.154 0.687 -2.623) 2.716 4.669 ( 1.677 5.156 -3.884) 6.670 4.675 ( 1.240 5.631 -1.821) 6.047 4.897 ( 6.756 1.344 2.333) 7.273 5.001 ( -3.006 3.012 0.635) 4.303 5.062 ( -1.174 3.561 -0.679) 3.810 5.106 ( -5.540 1.842 1.571) 6.046 5.266 ( 5.792 1.141 4.626) 7.500 5.391 ( -5.985 -3.085 6.101) 9.086 5.913 ( 8.481 -13.610 -8.522) 18.161 6.104 ( -10.486 -17.299 -9.645) 22.411 7.472 ( 4.210 2.539 0.137) 4.918 7.530 ( 1.423 6.255 -0.708) 6.454 7.544 ( 1.055 -0.574 2.050) 2.375 7.574 ( -0.870 3.781 -0.741) 3.950 7.619 ( 0.581 3.443 0.406) 3.515 7.653 ( -1.882 1.230 1.494) 2.699 7.813 ( 3.249 -4.400 0.850) 5.535 7.880 ( -3.141 -5.295 0.482) 6.175 10.895 ( 1.004 -1.643 1.017) 2.178 10.911 ( -0.620 -1.348 0.624) 1.610 11.002 ( 0.784 -2.711 0.187) 2.828 11.027 ( -1.788 -1.951 -0.957) 2.814 11.052 ( 1.142 -0.098 -0.457) 1.234 11.080 ( -1.943 0.736 -1.047) 2.326 11.179 ( 1.845 -0.855 -0.169) 2.041 11.222 ( -0.088 2.259 0.814) 2.403 11.229 ( -2.543 -1.429 0.341) 2.937 11.267 ( -2.444 2.771 -0.293) 3.707 11.312 ( -0.364 1.493 -0.762) 1.716 11.325 ( -1.291 1.684 -0.494) 2.178 16.359 ( 0.361 -0.410 0.061) 0.550 16.363 ( -0.078 -0.584 -0.025) 0.589 16.426 ( 0.578 -1.277 0.072) 1.403 16.431 ( 0.156 -1.496 -0.017) 1.504 23.543 ( 2.852 -0.207 3.724) 4.695 23.599 ( -2.930 -0.573 5.368) 6.142 23.854 ( 2.247 -4.587 -1.291) 5.268 23.914 ( -3.889 -5.386 -1.055) 6.727 24.195 ( 2.285 7.019 -0.019) 7.381 24.250 ( -2.894 8.523 -0.527) 9.017 24.437 ( 8.257 8.433 -2.140) 11.995 24.638 ( -11.240 9.316 -6.329) 15.911 25.445 ( 3.248 -5.128 4.741) 7.702 25.469 ( 0.819 -3.949 6.429) 7.589 25.896 ( 8.983 -6.629 -3.507) 11.702 26.033 ( -4.649 -7.488 -5.197) 10.232 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 11.777 7.367) 13.892 1.457 ( 0.000 11.762 4.528) 12.604 1.535 ( 0.000 4.242 2.786) 5.075 1.841 ( 0.000 16.611 -3.392) 16.954 1.873 ( 0.000 11.871 -3.988) 12.523 2.005 ( 0.000 2.162 -6.386) 6.742 2.031 ( 0.000 -2.127 -0.530) 2.192 2.129 ( 0.000 8.105 -3.228) 8.724 2.223 ( 0.000 6.824 0.559) 6.847 2.317 ( 0.000 -0.535 1.507) 1.600 2.335 ( 0.000 13.468 0.329) 13.472 2.505 ( 0.000 9.730 3.082) 10.206 2.512 ( 0.000 -1.033 -4.719) 4.831 2.617 ( 0.000 6.499 10.133) 12.038 2.698 ( 0.000 -4.698 4.468) 6.483 2.740 ( 0.000 -8.868 -3.943) 9.705 2.872 ( 0.000 -2.939 1.533) 3.315 2.928 ( 0.000 -4.624 1.192) 4.775 2.944 ( 0.000 -6.620 -0.310) 6.627 3.021 ( 0.000 5.012 -4.090) 6.469 3.111 ( 0.000 11.246 -1.804) 11.390 3.160 ( 0.000 -2.095 2.237) 3.065 3.248 ( 0.000 -2.509 3.708) 4.477 3.275 ( 0.000 -7.673 -5.395) 9.380 3.380 ( 0.000 2.126 -1.522) 2.615 3.568 ( 0.000 2.822 -1.048) 3.010 3.593 ( 0.000 4.107 -0.694) 4.166 3.655 ( 0.000 2.294 6.002) 6.425 3.765 ( 0.000 4.641 -0.449) 4.662 3.835 ( 0.000 2.211 0.543) 2.277 3.902 ( 0.000 1.303 -3.225) 3.478 4.011 ( 0.000 -0.478 -8.130) 8.144 4.058 ( 0.000 -4.349 6.724) 8.008 4.094 ( 0.000 1.809 1.038) 2.086 4.195 ( 0.000 4.320 0.992) 4.433 4.287 ( 0.000 4.780 -0.461) 4.802 4.405 ( 0.000 5.792 -0.871) 5.857 4.511 ( 0.000 -0.530 -4.710) 4.740 4.546 ( 0.000 2.474 -5.491) 6.023 4.643 ( 0.000 5.427 -0.231) 5.432 4.906 ( 0.000 -2.190 6.202) 6.577 5.063 ( 0.000 -4.015 -2.053) 4.509 5.068 ( 0.000 -4.560 3.547) 5.777 5.158 ( 0.000 -0.410 3.049) 3.077 5.323 ( 0.000 -5.985 0.834) 6.043 5.511 ( 0.000 -5.717 -10.359) 11.832 5.603 ( 0.000 4.137 5.461) 6.851 5.968 ( 0.000 -13.802 3.047) 14.134 7.320 ( 0.000 -1.829 0.417) 1.876 7.323 ( 0.000 -0.881 -0.747) 1.155 7.421 ( 0.000 2.334 -0.859) 2.487 7.509 ( 0.000 -1.689 -2.806) 3.275 7.607 ( 0.000 3.469 1.209) 3.674 7.701 ( 0.000 2.167 -1.215) 2.484 7.786 ( 0.000 0.989 3.009) 3.168 7.924 ( 0.000 -1.689 0.062) 1.690 10.820 ( 0.000 -1.853 -0.803) 2.019 10.831 ( 0.000 -1.732 -2.021) 2.661 10.990 ( 0.000 -0.509 0.344) 0.614 10.993 ( 0.000 -0.345 0.113) 0.363 11.088 ( 0.000 -0.107 -0.367) 0.382 11.112 ( 0.000 -1.100 -2.142) 2.408 11.254 ( 0.000 -0.065 -0.434) 0.439 11.277 ( 0.000 0.436 -0.163) 0.466 11.396 ( 0.000 2.583 3.073) 4.014 11.435 ( 0.000 0.559 2.336) 2.402 11.519 ( 0.000 2.199 0.085) 2.200 11.530 ( 0.000 3.297 0.127) 3.300 16.333 ( 0.000 -0.507 -0.076) 0.513 16.345 ( 0.000 -1.269 -0.358) 1.318 16.358 ( 0.000 -0.903 0.462) 1.014 16.368 ( 0.000 -0.647 0.284) 0.706 23.463 ( 0.000 2.241 -1.898) 2.937 23.673 ( 0.000 -4.126 -4.267) 5.935 23.726 ( 0.000 -1.253 8.198) 8.294 23.986 ( 0.000 -7.629 -0.693) 7.660 24.320 ( 0.000 6.271 1.050) 6.359 24.365 ( 0.000 6.187 0.081) 6.187 24.713 ( 0.000 2.394 2.786) 3.673 24.898 ( 0.000 -1.686 -2.096) 2.690 25.085 ( 0.000 -0.920 2.624) 2.780 25.316 ( 0.000 -4.514 -4.410) 6.310 25.492 ( 0.000 3.679 4.368) 5.711 25.875 ( 0.000 -3.160 -6.068) 6.842 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 9.546 11.303 5.385) 15.744 1.439 ( 3.279 11.450 4.555) 12.751 1.693 ( 7.865 8.888 -0.981) 11.908 1.810 ( 1.798 9.661 0.827) 9.862 1.950 ( 4.065 8.907 -6.509) 11.757 2.035 ( 1.844 -0.090 -3.868) 4.286 2.085 ( 6.307 3.343 -0.944) 7.200 2.132 ( 1.837 4.803 0.307) 5.151 2.282 ( 5.503 8.706 -1.289) 10.380 2.335 ( 1.922 -0.058 0.738) 2.060 2.404 ( 2.623 9.198 -3.644) 10.235 2.486 ( 2.258 3.819 -0.783) 4.505 2.549 ( 1.952 5.133 1.225) 5.626 2.638 ( 1.345 5.831 8.105) 10.074 2.677 ( -2.186 -1.902 2.713) 3.970 2.753 ( 1.001 -8.012 -1.486) 8.210 2.842 ( -3.520 -4.934 1.863) 6.340 2.933 ( 2.001 -1.277 -0.170) 2.380 3.004 ( 5.531 -1.646 1.065) 5.868 3.034 ( 1.033 8.999 -3.622) 9.755 3.138 ( 2.568 -1.442 -1.544) 3.325 3.172 ( 2.630 1.455 0.264) 3.017 3.266 ( 0.810 -0.387 0.365) 0.969 3.306 ( -3.002 -2.778 -5.541) 6.887 3.339 ( 3.191 -5.651 0.296) 6.496 3.498 ( -2.354 7.899 0.828) 8.284 3.583 ( -4.759 0.438 2.576) 5.429 3.689 ( -0.304 -0.422 2.211) 2.271 3.750 ( -1.980 4.572 -0.330) 4.994 3.762 ( -4.022 8.082 0.334) 9.034 3.880 ( -2.977 -0.762 3.037) 4.320 3.982 ( -6.053 2.206 3.272) 7.226 3.991 ( -3.366 -1.031 -6.663) 7.536 4.081 ( 0.658 -2.041 0.340) 2.172 4.175 ( -4.515 11.901 1.459) 12.812 4.266 ( -0.483 -2.489 0.577) 2.600 4.376 ( -0.575 -0.969 0.411) 1.200 4.512 ( 0.643 -0.181 -5.419) 5.460 4.603 ( 4.168 3.885 -3.585) 6.732 4.678 ( 3.147 5.529 -1.371) 6.508 4.884 ( -2.589 -0.796 4.756) 5.473 5.046 ( -0.458 -2.323 0.339) 2.392 5.083 ( -0.084 -4.278 0.836) 4.360 5.165 ( -0.228 -1.391 4.565) 4.778 5.278 ( -0.516 -3.412 -0.572) 3.498 5.508 ( -2.022 1.056 -3.778) 4.414 5.622 ( 1.400 -1.873 0.264) 2.353 5.978 ( -0.058 -16.014 0.259) 16.016 7.339 ( 2.199 -0.830 -0.700) 2.452 7.374 ( 4.450 -2.141 -0.228) 4.944 7.454 ( 3.191 1.659 0.089) 3.598 7.529 ( 2.039 -0.956 -2.245) 3.180 7.610 ( 0.572 3.450 1.610) 3.851 7.719 ( 0.644 2.145 -1.227) 2.554 7.781 ( -0.007 0.750 2.111) 2.240 7.911 ( -1.316 -1.795 0.034) 2.226 10.822 ( 0.551 -1.473 -0.648) 1.701 10.849 ( 1.427 -2.118 -1.594) 3.011 10.986 ( -0.596 -0.334 0.940) 1.162 10.997 ( 0.426 -0.524 -0.107) 0.684 11.093 ( 0.457 -0.090 -0.383) 0.603 11.107 ( -0.653 -1.019 -1.469) 1.903 11.225 ( -2.712 0.092 -0.618) 2.783 11.265 ( -1.253 -0.252 -0.951) 1.593 11.368 ( -2.819 2.127 2.527) 4.342 11.398 ( -2.990 0.879 2.376) 3.919 11.478 ( -3.739 2.787 0.035) 4.664 11.500 ( -2.926 3.040 0.160) 4.223 16.337 ( 0.363 -0.371 -0.054) 0.521 16.345 ( 0.111 -0.864 -0.115) 0.878 16.369 ( 0.916 -1.207 0.231) 1.533 16.376 ( 0.702 -0.844 0.236) 1.123 23.473 ( 1.118 2.085 -1.172) 2.640 23.670 ( -0.762 -2.264 -0.001) 2.389 23.725 ( 0.325 -2.865 3.531) 4.559 23.952 ( -3.255 -7.575 -0.484) 8.259 24.295 ( -1.833 5.740 0.288) 6.033 24.346 ( -0.742 5.408 -1.131) 5.574 24.663 ( -4.062 5.453 3.870) 7.824 25.023 ( 9.584 2.226 -3.133) 10.326 25.085 ( -1.282 -5.256 0.188) 5.413 25.380 ( 6.748 -2.530 -1.580) 7.378 25.473 ( -1.052 2.145 4.718) 5.288 25.897 ( 1.764 -4.980 -5.401) 7.555 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 11.366 11.168 -1.089) 15.972 1.592 ( 10.468 9.725 2.681) 14.538 1.753 ( 2.351 17.348 0.832) 17.526 1.905 ( 3.965 3.969 -0.599) 5.642 1.994 ( 1.144 4.986 -0.131) 5.117 2.130 ( 7.036 -3.322 -5.183) 9.349 2.192 ( 4.401 -2.549 3.553) 6.204 2.251 ( 7.815 7.501 -3.493) 11.381 2.343 ( 0.605 4.273 -3.935) 5.840 2.383 ( 2.136 0.899 0.216) 2.327 2.432 ( 2.209 3.805 -2.054) 4.855 2.534 ( -2.525 0.425 -1.282) 2.863 2.574 ( -2.182 6.482 1.196) 6.943 2.598 ( -1.267 3.986 -3.779) 5.637 2.665 ( 1.315 3.391 6.771) 7.686 2.769 ( -1.930 2.638 2.062) 3.865 2.805 ( 4.884 -2.406 2.596) 6.032 2.992 ( 2.196 2.359 -4.075) 5.195 3.073 ( 3.094 3.093 -3.274) 5.464 3.114 ( 1.763 -3.910 -1.846) 4.669 3.197 ( 2.990 -3.266 -0.812) 4.502 3.228 ( 1.676 0.995 -2.594) 3.245 3.262 ( 4.519 -0.958 -3.575) 5.841 3.330 ( 2.137 -2.718 -2.547) 4.295 3.381 ( -0.933 7.088 2.500) 7.574 3.472 ( -0.241 4.509 3.052) 5.450 3.507 ( 0.456 0.868 3.002) 3.158 3.625 ( -7.974 -0.323 2.790) 8.454 3.647 ( -1.526 -2.251 2.071) 3.419 3.711 ( -2.530 8.859 0.675) 9.238 3.793 ( -6.217 3.482 4.425) 8.387 3.903 ( -0.200 3.392 8.518) 9.170 3.931 ( -4.154 -3.867 -1.310) 5.824 4.028 ( -5.421 -1.423 -2.301) 6.058 4.075 ( -4.055 10.702 0.711) 11.467 4.327 ( 6.217 -3.050 -0.562) 6.948 4.396 ( 0.157 0.049 0.265) 0.312 4.511 ( -0.306 -0.982 1.905) 2.165 4.691 ( 4.122 3.267 -2.837) 5.976 4.750 ( 3.474 4.570 -4.319) 7.184 4.815 ( -2.180 0.094 2.107) 3.034 5.057 ( 1.291 -1.159 -0.864) 1.938 5.072 ( -0.381 -2.330 0.789) 2.489 5.144 ( -2.021 -2.780 6.962) 7.764 5.304 ( 1.451 1.823 -2.371) 3.324 5.445 ( -3.735 2.636 -0.951) 4.669 5.639 ( 0.664 -6.092 -3.379) 6.998 5.925 ( -5.588 -16.544 -3.441) 17.798 7.397 ( 3.607 -0.500 -0.398) 3.663 7.469 ( 4.461 -2.395 -0.981) 5.157 7.532 ( 4.324 -1.206 1.876) 4.865 7.587 ( 3.595 0.110 -0.918) 3.712 7.629 ( 1.171 3.285 1.403) 3.759 7.700 ( -1.605 3.814 -0.188) 4.143 7.793 ( 0.419 0.689 -0.478) 0.938 7.874 ( -2.565 -1.848 0.126) 3.164 10.842 ( 1.319 -1.187 0.170) 1.783 10.878 ( 1.421 -1.987 -1.122) 2.688 10.964 ( -1.524 -0.706 2.043) 2.645 11.004 ( -0.087 -1.351 -0.281) 1.382 11.071 ( -1.941 0.062 -0.389) 1.981 11.119 ( 1.455 -0.355 -0.650) 1.632 11.161 ( -3.507 -0.090 -1.087) 3.673 11.235 ( -1.765 -1.455 -1.275) 2.619 11.305 ( -2.988 1.911 1.825) 3.989 11.342 ( -2.290 1.089 0.586) 2.602 11.404 ( -3.227 3.316 0.153) 4.629 11.428 ( -4.173 2.672 0.422) 4.973 16.346 ( 0.504 -0.186 -0.008) 0.537 16.350 ( 0.334 -0.435 0.016) 0.549 16.387 ( 0.860 -1.398 0.103) 1.645 16.391 ( 0.722 -1.188 0.148) 1.398 23.505 ( 2.121 1.705 0.486) 2.765 23.641 ( -1.896 -0.091 4.058) 4.480 23.741 ( 1.033 -4.290 -1.042) 4.534 23.876 ( -4.046 -6.725 -0.200) 7.850 24.282 ( 0.834 5.401 -0.446) 5.483 24.368 ( 3.263 4.316 -3.308) 6.342 24.569 ( -5.214 7.480 3.621) 9.811 24.962 ( -9.436 0.094 -7.689) 12.172 25.239 ( 10.048 -0.948 2.669) 10.440 25.456 ( 0.666 5.018 8.647) 10.019 25.572 ( 10.351 -6.744 -2.922) 12.695 25.920 ( 0.114 -7.242 -4.125) 8.335 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 6.001 11.771 -6.716) 14.821 1.709 ( 1.110 13.273 -3.789) 13.848 1.876 ( 8.446 10.285 4.937) 14.195 1.968 ( 1.348 3.665 0.282) 3.915 2.041 ( 5.362 3.164 4.331) 7.584 2.178 ( -3.751 1.018 0.501) 3.919 2.248 ( -0.475 1.523 -2.290) 2.791 2.271 ( -2.066 5.092 -2.841) 6.186 2.375 ( 0.615 -1.243 -1.271) 1.881 2.409 ( -1.506 -1.424 -0.232) 2.086 2.450 ( 0.318 -0.790 -2.405) 2.552 2.459 ( -1.738 -0.283 -2.211) 2.826 2.566 ( 7.055 7.877 -2.651) 10.902 2.642 ( 1.168 8.836 3.819) 9.696 2.675 ( 1.079 2.927 1.581) 3.497 2.752 ( -3.220 2.424 -1.333) 4.245 2.912 ( 5.728 -1.073 -0.126) 5.829 3.012 ( -2.324 -1.174 -5.677) 6.246 3.055 ( 0.223 4.953 -3.854) 6.280 3.121 ( -4.602 1.663 -3.126) 5.807 3.208 ( 4.235 -1.368 -0.723) 4.509 3.270 ( 1.107 -1.479 -1.484) 2.370 3.295 ( 0.206 -0.881 -3.935) 4.038 3.340 ( -1.628 -0.086 -2.755) 3.201 3.410 ( -0.391 2.911 2.981) 4.185 3.450 ( -4.783 1.971 3.078) 6.020 3.539 ( 0.912 0.886 0.459) 1.352 3.572 ( 5.028 2.861 2.196) 6.187 3.648 ( 2.062 0.541 5.150) 5.574 3.704 ( 3.884 -3.178 3.636) 6.197 3.756 ( -0.122 2.551 6.026) 6.545 3.821 ( -6.979 -5.359 2.442) 9.132 3.908 ( 0.491 7.365 6.981) 10.160 3.933 ( -2.993 3.878 1.236) 5.052 4.065 ( 4.805 8.739 3.051) 10.429 4.258 ( -11.565 10.323 2.005) 15.631 4.467 ( 5.656 -3.918 -0.619) 6.909 4.527 ( -0.027 -3.934 1.094) 4.084 4.748 ( 1.472 2.652 -1.331) 3.312 4.750 ( 0.202 0.082 -2.619) 2.628 4.913 ( 7.936 0.792 0.982) 8.035 5.041 ( -3.956 0.178 1.802) 4.350 5.073 ( -0.001 -1.809 -1.223) 2.184 5.097 ( -2.035 -1.707 -0.243) 2.667 5.329 ( 2.019 4.225 -0.612) 4.722 5.382 ( -2.877 2.168 0.757) 3.681 5.672 ( 3.440 -10.399 -5.805) 12.396 5.785 ( -7.652 -14.387 -5.741) 17.277 7.473 ( 3.879 -0.767 0.828) 4.040 7.521 ( 0.091 -1.386 1.003) 1.713 7.588 ( 1.200 -2.623 0.400) 2.912 7.609 ( -1.254 -0.865 -0.634) 1.650 7.681 ( 4.208 3.512 0.322) 5.490 7.710 ( 2.005 4.788 -0.631) 5.229 7.781 ( -1.122 0.672 -0.350) 1.354 7.813 ( -3.466 -0.779 0.361) 3.571 10.870 ( 1.482 -0.806 0.896) 1.910 10.893 ( -0.432 -0.522 0.467) 0.823 10.945 ( 0.412 -2.659 0.952) 2.854 10.977 ( -2.226 -2.547 -0.039) 3.383 11.061 ( 0.894 0.799 -0.707) 1.392 11.094 ( -2.494 0.789 -1.483) 3.007 11.153 ( 1.485 -1.720 0.022) 2.273 11.192 ( -2.535 -2.118 -0.099) 3.305 11.278 ( 1.012 2.971 0.932) 3.274 11.322 ( -1.403 2.472 -0.400) 2.870 11.347 ( -1.571 1.881 -0.188) 2.458 11.365 ( -1.967 1.985 0.068) 2.795 16.354 ( 0.259 -0.107 0.042) 0.283 16.355 ( 0.147 -0.172 0.059) 0.234 16.400 ( 0.362 -1.462 0.050) 1.507 16.401 ( 0.253 -1.425 0.071) 1.449 23.552 ( 2.549 1.289 2.286) 3.658 23.600 ( -2.322 0.798 3.729) 4.465 23.764 ( 1.553 -4.632 -1.001) 4.987 23.807 ( -2.920 -5.455 -0.364) 6.198 24.327 ( 3.641 6.182 -0.528) 7.194 24.407 ( -3.056 7.245 -1.485) 8.003 24.546 ( 6.744 2.282 -2.085) 7.419 24.745 ( -11.804 0.651 -6.320) 13.405 25.395 ( 5.674 1.462 4.366) 7.307 25.459 ( -1.062 3.056 6.333) 7.112 25.762 ( 8.431 -6.915 -2.213) 11.127 25.885 ( -4.034 -7.583 -2.922) 9.073 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 10.204 -1.172) 10.272 1.531 ( 0.000 -3.401 -3.229) 4.690 1.642 ( 0.000 6.898 3.995) 7.971 1.800 ( 0.000 -8.753 1.867) 8.950 2.074 ( 0.000 4.526 -1.177) 4.677 2.136 ( 0.000 8.357 -3.840) 9.197 2.185 ( 0.000 1.009 -3.834) 3.965 2.220 ( 0.000 9.609 -5.281) 10.965 2.360 ( 0.000 6.957 -2.241) 7.309 2.422 ( 0.000 10.514 0.992) 10.560 2.471 ( 0.000 -2.332 -4.651) 5.203 2.514 ( 0.000 3.695 -0.177) 3.700 2.572 ( 0.000 -6.195 0.652) 6.229 2.606 ( 0.000 -3.965 2.688) 4.790 2.653 ( 0.000 -0.683 1.640) 1.776 2.718 ( 0.000 -10.154 2.240) 10.398 2.738 ( 0.000 2.631 6.650) 7.152 2.825 ( 0.000 7.921 4.306) 9.016 2.831 ( 0.000 -6.060 3.391) 6.945 3.037 ( 0.000 -10.060 2.484) 10.362 3.068 ( 0.000 -3.482 -0.334) 3.498 3.108 ( 0.000 -4.868 -3.125) 5.785 3.206 ( 0.000 6.455 -10.894) 12.663 3.310 ( 0.000 -2.102 -11.664) 11.852 3.569 ( 0.000 12.675 1.026) 12.717 3.654 ( 0.000 3.024 -1.561) 3.403 3.680 ( 0.000 5.699 0.030) 5.699 3.708 ( 0.000 4.039 6.710) 7.832 3.865 ( 0.000 -0.415 5.163) 5.180 3.867 ( 0.000 -4.501 3.390) 5.634 3.901 ( 0.000 8.743 4.296) 9.741 3.937 ( 0.000 -5.190 6.514) 8.329 3.950 ( 0.000 -3.675 -4.205) 5.585 4.089 ( 0.000 -8.840 3.984) 9.697 4.170 ( 0.000 5.924 2.690) 6.506 4.320 ( 0.000 -7.506 8.218) 11.130 4.530 ( 0.000 2.794 -9.237) 9.650 4.566 ( 0.000 -0.504 -7.291) 7.309 4.701 ( 0.000 18.822 -7.439) 20.239 4.760 ( 0.000 5.326 -1.376) 5.501 4.858 ( 0.000 -0.137 4.220) 4.222 4.980 ( 0.000 -4.648 -2.099) 5.100 5.033 ( 0.000 0.493 -1.533) 1.610 5.126 ( 0.000 -4.666 2.193) 5.156 5.243 ( 0.000 -1.763 1.980) 2.651 5.317 ( 0.000 -11.336 -7.748) 13.731 5.689 ( 0.000 4.272 4.813) 6.436 5.777 ( 0.000 -5.737 5.509) 7.954 7.298 ( 0.000 -0.371 -0.175) 0.410 7.304 ( 0.000 -0.845 -0.664) 1.075 7.446 ( 0.000 0.778 -1.662) 1.835 7.469 ( 0.000 -1.789 -2.112) 2.768 7.684 ( 0.000 3.582 0.968) 3.711 7.728 ( 0.000 -0.507 0.432) 0.666 7.818 ( 0.000 2.799 1.060) 2.993 7.879 ( 0.000 -2.909 0.193) 2.915 10.798 ( 0.000 -0.357 -0.923) 0.990 10.804 ( 0.000 -0.918 -1.350) 1.633 10.985 ( 0.000 -0.047 0.090) 0.102 10.987 ( 0.000 -0.225 -0.010) 0.225 11.087 ( 0.000 0.063 -0.871) 0.874 11.094 ( 0.000 -0.669 -1.404) 1.555 11.259 ( 0.000 0.576 -0.632) 0.855 11.273 ( 0.000 -0.669 -0.676) 0.951 11.427 ( 0.000 0.950 2.532) 2.704 11.438 ( 0.000 -0.167 2.276) 2.282 11.566 ( 0.000 1.827 0.626) 1.931 11.575 ( 0.000 1.017 0.586) 1.174 16.324 ( 0.000 -0.302 -0.407) 0.507 16.326 ( 0.000 -0.578 -0.395) 0.700 16.350 ( 0.000 0.066 0.671) 0.675 16.357 ( 0.000 -0.493 0.479) 0.688 23.523 ( 0.000 3.670 -3.454) 5.040 23.596 ( 0.000 -3.766 -3.904) 5.424 23.736 ( 0.000 2.585 5.128) 5.743 23.833 ( 0.000 -7.097 1.613) 7.278 24.419 ( 0.000 3.469 0.910) 3.587 24.441 ( 0.000 1.420 0.346) 1.461 24.766 ( 0.000 3.151 3.087) 4.411 24.837 ( 0.000 -3.882 1.780) 4.271 25.112 ( 0.000 3.245 -1.484) 3.568 25.201 ( 0.000 -5.739 -3.403) 6.672 25.630 ( 0.000 8.315 1.357) 8.426 25.779 ( 0.000 -6.522 -2.415) 6.954 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.559 9.594 -1.192) 12.912 1.593 ( 6.186 1.529 -2.093) 6.707 1.723 ( 7.565 1.333 1.096) 7.759 1.850 ( 5.038 -7.634 1.347) 9.245 2.067 ( -0.329 7.514 -3.621) 8.347 2.141 ( -0.019 3.579 -3.291) 4.862 2.181 ( -0.371 5.933 -1.543) 6.141 2.256 ( 2.149 5.775 -2.922) 6.819 2.352 ( 1.282 4.495 -0.879) 4.756 2.431 ( -1.681 -3.022 -3.355) 4.818 2.475 ( 1.800 6.024 -2.045) 6.612 2.530 ( 0.087 -1.543 0.308) 1.576 2.614 ( 2.694 -2.974 0.720) 4.077 2.642 ( 4.541 0.048 0.754) 4.604 2.662 ( 1.697 -1.136 2.747) 3.423 2.764 ( 4.880 0.651 0.987) 5.021 2.783 ( 3.424 5.352 5.466) 8.381 2.835 ( 2.543 1.541 3.712) 4.756 2.913 ( 6.162 -6.158 2.156) 8.974 3.024 ( -0.388 -8.423 1.282) 8.529 3.095 ( 1.391 -4.135 -2.646) 5.102 3.131 ( 2.023 -5.621 -4.436) 7.441 3.214 ( 1.485 4.512 -7.737) 9.079 3.283 ( -1.946 -1.491 -8.975) 9.304 3.505 ( -3.657 9.621 2.969) 10.712 3.596 ( -5.346 -0.388 -0.316) 5.370 3.663 ( -1.548 7.995 4.012) 9.078 3.743 ( 0.161 4.953 4.129) 6.450 3.792 ( -6.308 -0.157 6.043) 8.737 3.861 ( -2.190 -3.870 6.599) 7.957 3.894 ( -0.604 2.377 -2.307) 3.367 3.906 ( 0.162 1.708 4.650) 4.956 3.995 ( 0.724 -0.620 -1.625) 1.884 4.097 ( -0.561 2.219 2.851) 3.656 4.143 ( 0.591 -5.178 2.749) 5.892 4.249 ( -4.511 -7.742 5.674) 10.606 4.537 ( -5.723 10.581 -4.243) 12.756 4.553 ( 0.130 4.785 -7.821) 9.169 4.648 ( 1.068 3.188 -3.295) 4.708 4.772 ( -1.490 -0.587 -3.175) 3.556 4.859 ( 0.879 2.962 3.532) 4.693 4.979 ( 0.568 -5.607 -1.662) 5.875 5.042 ( 0.312 0.878 -1.145) 1.476 5.098 ( -1.027 -4.419 0.644) 4.582 5.282 ( 4.521 3.094 -0.298) 5.486 5.409 ( 4.858 -9.082 -5.977) 11.908 5.656 ( -3.266 3.792 3.938) 6.368 5.750 ( -2.721 -6.910 4.347) 8.605 7.328 ( 2.779 -0.106 -0.687) 2.865 7.339 ( 3.370 -1.260 -0.592) 3.646 7.469 ( 2.238 0.566 -0.843) 2.457 7.492 ( 2.265 -1.843 -1.514) 3.289 7.694 ( 1.030 4.015 1.095) 4.287 7.749 ( 1.836 -1.056 0.304) 2.139 7.805 ( -1.206 3.021 0.625) 3.312 7.868 ( -1.136 -2.791 0.032) 3.013 10.806 ( 0.862 -0.143 -0.726) 1.136 10.816 ( 1.124 -1.149 -1.089) 1.941 10.984 ( -0.352 0.086 0.305) 0.473 10.988 ( 0.038 -0.361 -0.059) 0.367 11.090 ( 0.248 -0.098 -0.551) 0.612 11.092 ( -0.115 -0.417 -0.778) 0.890 11.232 ( -2.631 0.702 -1.075) 2.928 11.250 ( -2.193 -1.052 -1.201) 2.713 11.396 ( -2.884 0.929 2.388) 3.858 11.406 ( -2.832 -0.026 2.202) 3.587 11.531 ( -3.284 1.941 0.551) 3.854 11.542 ( -3.195 0.910 0.486) 3.357 16.330 ( 0.560 -0.183 -0.307) 0.664 16.333 ( 0.638 -0.463 -0.399) 0.884 16.356 ( 0.476 -0.067 0.627) 0.790 16.362 ( 0.477 -0.576 0.416) 0.855 23.532 ( 0.946 3.734 -2.853) 4.793 23.608 ( 1.122 -3.799 -3.551) 5.320 23.717 ( -1.604 2.207 4.765) 5.491 23.806 ( -2.445 -6.571 1.747) 7.225 24.385 ( -2.302 3.185 -0.309) 3.942 24.409 ( -1.905 0.941 -1.023) 2.358 24.772 ( -0.579 5.974 4.377) 7.428 24.903 ( 2.866 -7.469 4.319) 9.091 25.151 ( 5.013 5.392 -5.120) 8.968 25.264 ( 6.648 -6.284 -4.248) 10.086 25.617 ( -0.940 8.827 2.907) 9.341 25.778 ( -0.111 -7.252 -1.449) 7.396 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 10.925 8.385 -2.498) 13.997 1.759 ( 10.148 4.654 -1.783) 11.306 1.886 ( 8.090 -0.943 -1.641) 8.309 1.989 ( 8.144 -3.842 1.158) 9.079 2.064 ( 0.721 6.181 -5.500) 8.305 2.112 ( -2.437 3.148 -4.074) 5.696 2.201 ( 2.076 5.528 1.496) 6.091 2.292 ( 2.071 -0.245 -0.244) 2.100 2.369 ( -0.469 -1.384 -3.189) 3.508 2.391 ( -2.258 -5.300 -2.367) 6.228 2.478 ( -1.353 1.900 -1.218) 2.631 2.514 ( -2.169 -0.464 -0.626) 2.305 2.672 ( 4.755 2.916 0.176) 5.580 2.717 ( 2.441 4.323 2.130) 5.403 2.776 ( 6.222 5.163 -1.420) 8.209 2.807 ( 0.854 6.401 2.704) 7.001 2.836 ( 0.537 6.717 0.191) 6.741 2.938 ( 4.963 -7.054 1.919) 8.836 2.981 ( -0.270 -6.160 -4.839) 7.838 3.019 ( 0.202 -9.111 0.583) 9.131 3.142 ( 5.012 -1.645 -3.992) 6.615 3.184 ( 2.879 -3.766 -5.318) 7.125 3.269 ( 4.614 2.470 -0.941) 5.318 3.303 ( 3.471 -0.683 -1.504) 3.844 3.462 ( -0.505 1.758 3.143) 3.636 3.501 ( -2.851 -1.127 3.690) 4.798 3.620 ( -5.206 6.611 7.145) 11.039 3.643 ( -5.758 4.186 4.720) 8.542 3.667 ( -6.218 0.312 4.454) 7.655 3.794 ( -4.307 -6.250 6.252) 9.834 3.848 ( -6.846 2.158 -0.902) 7.234 3.881 ( -3.661 1.292 -1.734) 4.252 4.017 ( 3.116 10.681 3.997) 11.822 4.073 ( 2.363 6.860 2.136) 7.564 4.212 ( 4.675 -7.414 1.965) 8.983 4.276 ( 6.835 -10.478 3.311) 12.941 4.391 ( -6.409 16.481 -1.395) 17.739 4.565 ( -0.346 3.931 -3.770) 5.458 4.665 ( -1.807 -4.877 -1.164) 5.330 4.724 ( -1.163 -6.330 -1.596) 6.631 4.902 ( 2.888 6.618 0.134) 7.222 5.011 ( 2.106 -4.193 -1.542) 4.939 5.042 ( -0.113 0.965 -0.526) 1.105 5.085 ( -1.021 -2.820 1.025) 3.169 5.363 ( 3.153 4.046 -2.570) 5.737 5.458 ( 0.464 -4.041 -5.359) 6.728 5.574 ( -4.598 1.673 1.196) 5.037 5.674 ( -5.013 -8.495 1.074) 9.922 7.394 ( 3.839 0.431 -0.701) 3.926 7.419 ( 4.446 -2.126 -0.840) 4.999 7.517 ( 2.106 0.134 0.874) 2.284 7.543 ( 2.272 -2.385 -0.138) 3.297 7.722 ( 1.778 4.375 0.700) 4.775 7.780 ( -0.651 1.439 -0.122) 1.584 7.787 ( 1.330 0.529 -0.287) 1.460 7.839 ( -1.663 -2.064 -0.144) 2.654 10.830 ( 1.567 0.079 -0.137) 1.575 10.844 ( 1.701 -1.309 -0.610) 2.231 10.963 ( -1.921 0.451 1.124) 2.271 10.979 ( -1.362 -1.128 0.254) 1.786 11.081 ( -0.616 0.879 0.029) 1.074 11.102 ( 0.629 -1.158 0.047) 1.319 11.171 ( -3.186 1.121 -1.811) 3.833 11.201 ( -2.597 -1.802 -1.624) 3.554 11.338 ( -2.356 1.344 1.739) 3.222 11.353 ( -1.927 -0.080 1.062) 2.202 11.457 ( -3.943 1.699 0.383) 4.311 11.465 ( -4.331 0.884 0.423) 4.440 16.343 ( 0.770 0.096 -0.125) 0.786 16.348 ( 0.775 -0.104 -0.285) 0.832 16.366 ( 0.497 -0.464 0.460) 0.821 16.372 ( 0.439 -0.775 0.258) 0.928 23.558 ( 1.688 3.607 -1.239) 4.171 23.633 ( 1.142 -2.897 -1.946) 3.672 23.684 ( -1.571 0.866 3.337) 3.789 23.754 ( -2.646 -5.340 1.694) 6.196 24.369 ( 1.136 3.388 -1.318) 3.809 24.407 ( 2.197 -0.216 -2.512) 3.345 24.709 ( -5.821 7.215 2.497) 9.601 24.857 ( -6.870 -7.752 -0.225) 10.360 25.314 ( 10.046 6.020 -2.402) 11.956 25.436 ( 9.878 -6.283 -3.201) 12.137 25.605 ( -0.275 8.508 4.937) 9.841 25.772 ( -0.748 -8.108 -0.060) 8.143 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 7.681 7.759 -5.146) 12.069 1.922 ( 4.109 6.076 -3.528) 8.139 2.001 ( 1.152 1.138 -3.832) 4.160 2.037 ( -0.951 3.193 1.450) 3.634 2.091 ( 4.839 3.812 -1.803) 6.418 2.192 ( 8.068 -5.722 -3.766) 10.584 2.206 ( -3.121 4.009 0.808) 5.145 2.313 ( -3.997 -3.964 -2.003) 5.975 2.349 ( 2.378 -0.143 -0.509) 2.436 2.387 ( 1.731 -0.107 -3.053) 3.511 2.430 ( -3.038 -0.858 -1.212) 3.382 2.456 ( -2.702 -0.330 -2.939) 4.006 2.720 ( 0.343 7.093 -4.652) 8.489 2.762 ( -3.185 2.496 -1.493) 4.314 2.785 ( 3.762 7.364 4.160) 9.257 2.818 ( -0.982 1.134 -1.275) 1.969 2.879 ( 2.739 4.001 0.205) 4.854 2.925 ( -2.108 -5.051 -5.296) 7.616 3.023 ( 2.777 -8.185 2.053) 8.883 3.050 ( 0.454 -7.364 2.653) 7.841 3.226 ( 3.530 2.526 -1.827) 4.709 3.253 ( 5.169 -0.574 -2.046) 5.589 3.321 ( -3.795 1.063 -0.969) 4.058 3.331 ( -1.118 0.762 -1.877) 2.313 3.468 ( 0.448 2.632 3.834) 4.672 3.501 ( -1.146 4.338 5.609) 7.183 3.545 ( 4.999 -3.339 7.367) 9.509 3.595 ( 0.808 2.268 1.626) 2.905 3.620 ( 1.954 -1.765 5.128) 5.764 3.692 ( -6.158 -4.887 6.097) 9.949 3.697 ( -6.593 1.667 0.488) 6.818 3.757 ( -7.375 -3.409 1.571) 8.275 4.104 ( 4.661 12.391 1.534) 13.327 4.157 ( 1.685 13.604 3.662) 14.189 4.325 ( 5.150 -1.584 -0.164) 5.391 4.340 ( 4.133 7.148 0.240) 8.260 4.384 ( 2.055 -6.083 2.356) 6.840 4.499 ( -7.673 9.806 1.669) 12.562 4.630 ( 1.806 -11.680 0.593) 11.833 4.701 ( -2.908 -8.163 0.909) 8.713 4.967 ( 3.789 4.475 -2.064) 6.216 5.028 ( -1.932 0.972 -1.041) 2.400 5.044 ( 1.171 -2.644 -1.847) 3.431 5.063 ( -0.887 -1.801 -0.258) 2.024 5.407 ( 1.835 3.811 -2.704) 5.020 5.445 ( -1.735 3.338 -2.318) 4.419 5.513 ( -0.324 -5.355 -3.461) 6.384 5.568 ( -5.091 -7.663 -2.567) 9.551 7.469 ( 3.613 0.676 0.190) 3.681 7.498 ( 2.936 -1.527 -0.437) 3.338 7.530 ( -0.598 -1.120 1.211) 1.755 7.556 ( -1.128 -2.896 0.207) 3.115 7.760 ( 2.000 3.379 -0.006) 3.927 7.780 ( 0.546 2.015 -0.692) 2.199 7.799 ( -0.335 0.511 -0.318) 0.688 7.809 ( -1.213 -0.640 -0.066) 1.373 10.865 ( 2.021 0.391 0.576) 2.138 10.881 ( 1.975 -0.965 0.015) 2.198 10.916 ( -2.391 -0.002 1.331) 2.737 10.935 ( -2.704 -1.694 0.566) 3.240 11.083 ( 0.964 1.416 -0.385) 1.756 11.111 ( -0.505 -0.238 -0.714) 0.906 11.121 ( -0.794 -0.194 -0.528) 0.973 11.151 ( -2.422 -1.990 -0.617) 3.195 11.327 ( 1.362 1.889 0.597) 2.404 11.347 ( 1.155 0.015 -0.074) 1.157 11.382 ( -3.617 1.388 0.258) 3.883 11.391 ( -2.996 0.503 0.165) 3.042 16.356 ( 0.472 0.413 0.049) 0.629 16.359 ( 0.252 0.454 -0.006) 0.520 16.373 ( 0.286 -1.051 0.151) 1.099 16.376 ( 0.031 -1.037 0.088) 1.041 23.596 ( 2.073 3.160 0.731) 3.849 23.633 ( -1.466 2.437 1.914) 3.428 23.675 ( 1.044 -4.160 -0.114) 4.291 23.708 ( -2.076 -4.487 0.903) 5.026 24.433 ( 5.284 4.680 -1.546) 7.226 24.498 ( 6.084 -0.502 -3.567) 7.070 24.575 ( -6.226 4.183 -0.145) 7.502 24.684 ( -9.791 -5.482 -3.167) 11.659 25.486 ( 6.911 6.558 1.445) 9.636 25.569 ( -0.790 6.447 2.648) 7.014 25.630 ( 6.098 -5.763 0.341) 8.398 25.734 ( -3.584 -7.930 0.111) 8.703 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.000 0.000 11.967) 11.967 0.806 ( 0.000 0.000 -6.783) 6.783 1.033 ( 0.000 0.000 22.308) 22.308 1.386 ( 0.000 0.000 -7.324) 7.324 1.539 ( 0.000 0.000 11.092) 11.092 1.685 ( 0.000 0.000 23.575) 23.575 1.723 ( 0.000 0.000 -4.109) 4.109 1.859 ( 0.000 0.000 -4.417) 4.417 1.864 ( 0.000 0.000 -1.510) 1.510 1.937 ( 0.000 0.000 15.525) 15.525 2.110 ( 0.000 0.000 -15.018) 15.018 2.226 ( 0.000 0.000 -11.104) 11.104 2.253 ( 0.000 0.000 9.815) 9.815 2.477 ( 0.000 0.000 -9.526) 9.526 2.604 ( 0.000 0.000 2.403) 2.403 2.702 ( 0.000 0.000 -7.428) 7.428 2.848 ( 0.000 0.000 8.068) 8.068 3.044 ( 0.000 0.000 -10.040) 10.040 3.118 ( 0.000 0.000 4.280) 4.280 3.129 ( 0.000 0.000 3.811) 3.811 3.139 ( 0.000 0.000 2.902) 2.902 3.233 ( 0.000 0.000 -6.750) 6.750 3.350 ( 0.000 0.000 6.167) 6.167 3.358 ( 0.000 0.000 -2.337) 2.337 3.366 ( 0.000 0.000 -3.074) 3.074 3.465 ( 0.000 0.000 -0.033) 0.033 3.503 ( 0.000 0.000 -9.889) 9.889 3.549 ( 0.000 0.000 -9.022) 9.022 3.611 ( 0.000 0.000 1.042) 1.042 3.627 ( 0.000 0.000 -0.536) 0.536 3.751 ( 0.000 0.000 6.036) 6.036 3.826 ( 0.000 0.000 -0.069) 0.069 4.090 ( 0.000 0.000 0.532) 0.532 4.091 ( 0.000 0.000 1.358) 1.358 4.114 ( 0.000 0.000 -2.444) 2.444 4.124 ( 0.000 0.000 -1.736) 1.736 4.354 ( 0.000 0.000 2.379) 2.379 4.415 ( 0.000 0.000 -3.308) 3.308 4.476 ( 0.000 0.000 1.751) 1.751 4.507 ( 0.000 0.000 -1.215) 1.215 4.898 ( 0.000 0.000 7.785) 7.785 5.005 ( 0.000 0.000 0.358) 0.358 5.083 ( 0.000 0.000 0.125) 0.125 5.166 ( 0.000 0.000 -5.132) 5.132 5.588 ( 0.000 0.000 0.775) 0.775 5.612 ( 0.000 0.000 -1.430) 1.430 6.193 ( 0.000 0.000 19.656) 19.656 6.563 ( 0.000 0.000 -16.263) 16.263 7.214 ( 0.000 0.000 1.412) 1.412 7.241 ( 0.000 0.000 -1.245) 1.245 7.531 ( 0.000 0.000 2.629) 2.629 7.545 ( 0.000 0.000 1.568) 1.568 7.562 ( 0.000 0.000 0.050) 0.050 7.585 ( 0.000 0.000 -2.493) 2.493 7.834 ( 0.000 0.000 2.818) 2.818 7.901 ( 0.000 0.000 -3.411) 3.411 10.953 ( 0.000 0.000 -0.483) 0.483 10.957 ( 0.000 0.000 -0.725) 0.725 11.008 ( 0.000 0.000 0.638) 0.638 11.022 ( 0.000 0.000 -0.623) 0.623 11.062 ( 0.000 0.000 0.735) 0.735 11.064 ( 0.000 0.000 0.489) 0.489 11.189 ( 0.000 0.000 0.427) 0.427 11.198 ( 0.000 0.000 -0.417) 0.417 11.293 ( 0.000 0.000 -0.350) 0.350 11.303 ( 0.000 0.000 -1.355) 1.355 11.502 ( 0.000 0.000 1.945) 1.945 11.527 ( 0.000 0.000 -0.525) 0.525 16.369 ( 0.000 0.000 0.906) 0.906 16.387 ( 0.000 0.000 -0.802) 0.802 16.403 ( 0.000 0.000 0.311) 0.311 16.411 ( 0.000 0.000 -0.389) 0.389 23.615 ( 0.000 0.000 6.415) 6.415 23.750 ( 0.000 0.000 -6.545) 6.545 23.981 ( 0.000 0.000 0.261) 0.261 23.988 ( 0.000 0.000 -0.472) 0.472 24.081 ( 0.000 0.000 1.611) 1.611 24.112 ( 0.000 0.000 -1.431) 1.431 24.647 ( 0.000 0.000 4.886) 4.886 24.756 ( 0.000 0.000 -5.859) 5.859 25.364 ( 0.000 0.000 6.026) 6.026 25.432 ( 0.000 0.000 -0.385) 0.385 25.606 ( 0.000 0.000 -0.716) 0.716 25.634 ( 0.000 0.000 -3.668) 3.668 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 16.627 0.000 8.316) 18.590 0.914 ( 9.866 0.000 -2.001) 10.067 1.092 ( 7.081 0.000 21.367) 22.510 1.469 ( 6.668 0.000 -14.108) 15.605 1.539 ( -0.015 0.000 9.045) 9.045 1.713 ( -0.710 0.000 -4.113) 4.174 1.873 ( 1.988 0.000 2.307) 3.046 1.884 ( 1.739 0.000 0.927) 1.970 1.911 ( 21.491 0.000 22.159) 30.869 1.975 ( 3.189 0.000 5.320) 6.203 2.197 ( -2.782 0.000 -10.599) 10.959 2.216 ( 8.404 0.000 -8.241) 11.770 2.273 ( 2.123 0.000 7.151) 7.459 2.489 ( 0.866 0.000 -8.884) 8.926 2.581 ( -2.792 0.000 2.843) 3.985 2.688 ( -1.826 0.000 -7.602) 7.818 2.869 ( 1.995 0.000 8.848) 9.070 3.028 ( -6.986 0.000 3.043) 7.620 3.053 ( -5.411 0.000 5.805) 7.936 3.088 ( 2.608 0.000 -9.030) 9.399 3.110 ( -3.492 0.000 0.629) 3.548 3.161 ( -4.820 0.000 -7.520) 8.932 3.330 ( -7.273 0.000 4.723) 8.672 3.373 ( 1.136 0.000 -2.329) 2.591 3.379 ( 1.526 0.000 1.979) 2.499 3.383 ( 1.304 0.000 -2.873) 3.155 3.545 ( 0.772 0.000 -7.793) 7.831 3.563 ( 3.001 0.000 -7.680) 8.245 3.584 ( -2.281 0.000 1.329) 2.640 3.610 ( -1.756 0.000 -1.142) 2.095 3.768 ( 0.424 0.000 5.117) 5.134 3.845 ( -1.031 0.000 -1.612) 1.914 4.080 ( 2.208 0.000 4.619) 5.119 4.108 ( 2.368 0.000 3.366) 4.115 4.175 ( 4.104 0.000 -3.082) 5.133 4.183 ( 5.158 0.000 -5.300) 7.395 4.350 ( 0.279 0.000 2.686) 2.701 4.404 ( -1.262 0.000 -2.529) 2.826 4.465 ( -1.139 0.000 1.818) 2.145 4.497 ( -0.978 0.000 -1.302) 1.628 4.906 ( -3.070 0.000 7.317) 7.936 4.944 ( -2.661 0.000 6.836) 7.335 5.086 ( -0.622 0.000 -5.814) 5.847 5.101 ( -3.645 0.000 -4.576) 5.850 5.528 ( -4.503 0.000 6.500) 7.907 5.659 ( 3.594 0.000 -6.469) 7.400 6.150 ( -4.115 0.000 19.257) 19.691 6.536 ( -3.524 0.000 -19.016) 19.340 7.226 ( 1.211 0.000 1.478) 1.911 7.255 ( 1.327 0.000 -1.309) 1.864 7.520 ( -1.152 0.000 2.554) 2.802 7.572 ( -1.317 0.000 -2.428) 2.762 7.574 ( 2.518 0.000 3.229) 4.094 7.624 ( 4.855 0.000 -1.543) 5.094 7.874 ( 3.305 0.000 3.313) 4.679 7.947 ( 4.042 0.000 -3.560) 5.386 10.956 ( 0.228 0.000 -0.017) 0.229 10.963 ( 0.481 0.000 -0.465) 0.669 11.009 ( 0.078 0.000 0.585) 0.591 11.021 ( -0.045 0.000 -0.560) 0.562 11.052 ( -0.528 0.000 0.942) 1.080 11.073 ( 0.373 0.000 -0.682) 0.777 11.189 ( 0.032 0.000 0.384) 0.385 11.197 ( -0.049 0.000 -0.384) 0.387 11.267 ( -2.080 0.000 -0.141) 2.085 11.287 ( -1.613 0.000 -1.627) 2.291 11.446 ( -4.860 0.000 1.888) 5.213 11.474 ( -4.896 0.000 -0.807) 4.962 16.366 ( -0.092 0.000 0.716) 0.722 16.381 ( -0.357 0.000 -0.661) 0.752 16.416 ( 1.174 0.000 0.501) 1.277 16.427 ( 1.226 0.000 -0.526) 1.334 23.611 ( -0.031 0.000 6.356) 6.356 23.741 ( -0.385 0.000 -6.133) 6.145 23.987 ( 0.561 0.000 0.196) 0.594 23.992 ( 0.414 0.000 -0.386) 0.566 24.077 ( -0.406 0.000 1.505) 1.559 24.106 ( -0.607 0.000 -1.345) 1.476 24.406 ( -16.375 0.000 13.318) 21.108 24.635 ( -10.657 0.000 -10.078) 14.667 25.451 ( 6.610 0.000 9.557) 11.620 25.579 ( 10.647 0.000 1.663) 10.776 25.658 ( 2.389 0.000 -2.427) 3.405 25.795 ( 14.342 0.000 -12.197) 18.827 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 11.284 0.000 8.598) 14.186 1.187 ( 19.546 0.000 1.428) 19.598 1.307 ( 14.168 0.000 15.071) 20.685 1.523 ( -2.055 0.000 11.049) 11.239 1.620 ( 8.678 0.000 -13.865) 16.357 1.736 ( 4.033 0.000 -6.047) 7.269 1.907 ( 1.803 0.000 1.565) 2.387 1.944 ( 3.228 0.000 -0.441) 3.258 2.029 ( 1.398 0.000 0.035) 1.399 2.130 ( -3.555 0.000 -8.840) 9.528 2.200 ( -5.213 0.000 2.233) 5.671 2.302 ( -6.059 0.000 -6.830) 9.130 2.423 ( 24.370 0.000 14.051) 28.131 2.482 ( -7.001 0.000 4.920) 8.557 2.581 ( 10.678 0.000 -1.921) 10.850 2.612 ( -6.076 0.000 -7.083) 9.331 2.902 ( 0.633 0.000 6.419) 6.450 2.968 ( -2.756 0.000 4.813) 5.547 2.977 ( 4.209 0.000 6.613) 7.839 3.025 ( -4.138 0.000 -1.083) 4.277 3.030 ( -4.101 0.000 -0.776) 4.173 3.197 ( 2.722 0.000 -5.201) 5.871 3.240 ( -1.347 0.000 2.263) 2.633 3.388 ( 0.760 0.000 -0.529) 0.926 3.402 ( 2.729 0.000 -2.052) 3.414 3.418 ( 2.233 0.000 -3.132) 3.847 3.535 ( -2.694 0.000 1.384) 3.029 3.560 ( -1.905 0.000 -7.296) 7.541 3.565 ( -2.541 0.000 -1.541) 2.972 3.569 ( -3.241 0.000 -8.552) 9.145 3.785 ( 2.976 0.000 4.493) 5.389 3.843 ( 3.275 0.000 -1.376) 3.552 4.156 ( 3.224 0.000 4.503) 5.538 4.177 ( 4.228 0.000 4.212) 5.968 4.231 ( -2.836 0.000 -0.913) 2.980 4.257 ( 3.862 0.000 -3.583) 5.268 4.351 ( -2.833 0.000 1.126) 3.049 4.396 ( 3.085 0.000 -1.657) 3.502 4.434 ( -1.962 0.000 2.012) 2.811 4.470 ( -1.768 0.000 -1.521) 2.332 4.790 ( -2.087 0.000 4.805) 5.239 4.919 ( -5.318 0.000 -6.384) 8.309 5.014 ( -0.181 0.000 5.428) 5.431 5.117 ( -0.689 0.000 -3.027) 3.104 5.466 ( 0.053 0.000 14.106) 14.106 5.747 ( 5.337 0.000 -12.675) 13.753 6.035 ( -7.360 0.000 16.538) 18.102 6.411 ( -9.152 0.000 -20.234) 22.207 7.259 ( 2.047 0.000 1.562) 2.575 7.288 ( 1.907 0.000 -1.280) 2.297 7.491 ( -1.630 0.000 2.160) 2.706 7.536 ( -2.239 0.000 -2.162) 3.112 7.629 ( 3.046 0.000 4.713) 5.611 7.706 ( 2.923 0.000 -2.693) 3.974 7.939 ( 2.953 0.000 4.462) 5.351 8.012 ( 1.864 0.000 -2.491) 3.111 10.960 ( 0.098 0.000 0.941) 0.946 10.970 ( 0.188 0.000 -0.062) 0.198 11.011 ( 0.137 0.000 0.428) 0.449 11.020 ( -0.098 0.000 -0.379) 0.392 11.043 ( -0.431 0.000 0.311) 0.531 11.071 ( -0.741 0.000 -2.136) 2.261 11.190 ( 0.069 0.000 0.259) 0.268 11.196 ( -0.089 0.000 -0.283) 0.296 11.236 ( -0.798 0.000 0.018) 0.799 11.253 ( -1.508 0.000 -1.090) 1.861 11.347 ( -4.725 0.000 0.889) 4.808 11.368 ( -5.149 0.000 -1.024) 5.250 16.368 ( 0.233 0.000 0.431) 0.490 16.377 ( -0.059 0.000 -0.428) 0.432 16.440 ( 1.156 0.000 0.424) 1.231 16.450 ( 0.958 0.000 -0.448) 1.058 23.630 ( 2.260 0.000 6.513) 6.894 23.752 ( 1.493 0.000 -4.563) 4.801 24.001 ( 0.832 0.000 0.097) 0.837 24.004 ( 0.801 0.000 -0.210) 0.828 24.066 ( -0.633 0.000 1.178) 1.337 24.090 ( -1.047 0.000 -1.092) 1.513 24.147 ( -9.719 0.000 13.114) 16.323 24.402 ( -12.401 0.000 -11.581) 16.968 25.582 ( 6.476 0.000 8.136) 10.399 25.709 ( 2.359 0.000 0.003) 2.359 25.791 ( 10.348 0.000 2.565) 10.661 26.004 ( 6.243 0.000 -13.894) 15.232 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 7.526 0.000 13.211) 15.204 1.413 ( -3.116 0.000 6.607) 7.305 1.601 ( 15.843 0.000 5.925) 16.915 1.607 ( 15.471 0.000 8.175) 17.497 1.776 ( 4.009 0.000 -5.208) 6.572 1.824 ( -0.782 0.000 -9.306) 9.339 1.920 ( 0.574 0.000 2.094) 2.172 1.994 ( -0.521 0.000 -1.873) 1.944 1.998 ( -0.182 0.000 -2.666) 2.672 2.026 ( -7.601 0.000 -2.714) 8.071 2.070 ( -3.582 0.000 -7.181) 8.024 2.111 ( -10.780 0.000 -7.987) 13.416 2.386 ( -0.232 0.000 3.885) 3.892 2.472 ( -7.317 0.000 -4.072) 8.374 2.776 ( 9.811 0.000 2.711) 10.179 2.796 ( 9.719 0.000 0.567) 9.735 2.902 ( -2.162 0.000 3.974) 4.524 2.931 ( -4.553 0.000 0.820) 4.626 2.943 ( 0.019 0.000 1.646) 1.646 2.966 ( -2.290 0.000 -0.293) 2.308 3.156 ( 7.190 0.000 1.718) 7.392 3.229 ( -0.655 0.000 -3.611) 3.670 3.304 ( 11.942 0.000 16.260) 20.174 3.405 ( -1.934 0.000 -0.146) 1.939 3.417 ( 2.337 0.000 1.436) 2.742 3.459 ( -3.546 0.000 -4.366) 5.624 3.461 ( 0.899 0.000 -2.075) 2.261 3.481 ( -1.586 0.000 0.643) 1.711 3.517 ( -2.432 0.000 -2.199) 3.279 3.591 ( -1.179 0.000 -6.133) 6.245 3.836 ( 1.291 0.000 3.419) 3.654 3.886 ( -1.501 0.000 -0.655) 1.637 4.101 ( -0.674 0.000 3.197) 3.267 4.181 ( -4.528 0.000 -2.697) 5.270 4.259 ( 3.851 0.000 2.897) 4.819 4.304 ( 0.092 0.000 -1.185) 1.189 4.332 ( 2.167 0.000 -1.279) 2.516 4.401 ( -3.340 0.000 -6.821) 7.595 4.404 ( -0.167 0.000 0.721) 0.740 4.431 ( -2.105 0.000 -1.544) 2.611 4.864 ( 7.601 0.000 1.446) 7.738 4.886 ( 3.202 0.000 -1.454) 3.517 4.978 ( -3.871 0.000 4.415) 5.872 5.034 ( -7.258 0.000 -0.063) 7.258 5.566 ( 9.258 0.000 15.437) 18.000 5.761 ( -8.057 0.000 8.681) 11.843 5.988 ( 7.163 0.000 -10.236) 12.493 6.198 ( -12.061 0.000 -18.932) 22.448 7.299 ( 1.843 0.000 1.226) 2.213 7.316 ( 0.437 0.000 -0.281) 0.519 7.469 ( -0.144 0.000 0.674) 0.689 7.491 ( -2.098 0.000 -1.350) 2.495 7.689 ( 2.898 0.000 3.881) 4.844 7.728 ( -0.674 0.000 0.344) 0.757 7.986 ( 2.079 0.000 2.127) 2.974 8.018 ( -0.956 0.000 -0.782) 1.235 10.962 ( 0.247 0.000 0.990) 1.021 10.969 ( -0.299 0.000 0.353) 0.463 11.014 ( 0.162 0.000 0.180) 0.243 11.017 ( -0.145 0.000 -0.112) 0.183 11.039 ( 0.225 0.000 -0.814) 0.845 11.052 ( -0.946 0.000 -2.069) 2.275 11.192 ( 0.099 0.000 0.076) 0.125 11.194 ( -0.108 0.000 -0.120) 0.161 11.229 ( 0.028 0.000 0.855) 0.855 11.240 ( -0.277 0.000 0.504) 0.575 11.278 ( -1.648 0.000 -0.725) 1.800 11.294 ( -2.441 0.000 -1.594) 2.916 16.373 ( 0.248 0.000 0.125) 0.277 16.376 ( -0.065 0.000 -0.166) 0.179 16.458 ( 0.575 0.000 0.145) 0.593 16.461 ( 0.221 0.000 -0.195) 0.295 23.697 ( 4.211 0.000 6.880) 8.066 23.765 ( -1.588 0.000 2.607) 3.053 24.016 ( 0.657 0.000 0.229) 0.696 24.020 ( 0.491 0.000 -0.053) 0.494 24.055 ( 1.276 0.000 1.394) 1.889 24.057 ( -0.106 0.000 0.427) 0.439 24.068 ( -1.064 0.000 -0.628) 1.236 24.178 ( -9.935 0.000 -8.376) 12.994 25.688 ( 4.044 0.000 5.775) 7.050 25.731 ( -0.406 0.000 3.326) 3.351 25.961 ( 6.831 0.000 -2.386) 7.236 26.045 ( -1.521 0.000 -8.719) 8.851 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 22.844 8.567) 24.398 1.034 ( 0.000 17.595 -0.615) 17.606 1.152 ( 0.000 12.741 15.222) 19.851 1.378 ( 0.000 1.185 1.940) 2.273 1.571 ( 0.000 -1.071 13.693) 13.735 1.692 ( 0.000 8.544 3.294) 9.158 1.770 ( 0.000 3.561 -5.829) 6.831 1.893 ( 0.000 1.556 -10.219) 10.336 1.939 ( 0.000 5.728 4.311) 7.169 2.070 ( 0.000 1.348 -9.091) 9.191 2.131 ( 0.000 11.616 9.996) 15.324 2.305 ( 0.000 3.016 -7.464) 8.051 2.323 ( 0.000 10.233 12.048) 15.807 2.549 ( 0.000 8.921 -7.557) 11.692 2.624 ( 0.000 0.887 3.531) 3.641 2.752 ( 0.000 2.996 -8.512) 9.024 2.813 ( 0.000 -2.946 7.774) 8.314 3.004 ( 0.000 -3.096 -9.022) 9.539 3.033 ( 0.000 -2.449 2.513) 3.509 3.079 ( 0.000 -3.345 -1.225) 3.562 3.167 ( 0.000 -5.515 6.595) 8.597 3.235 ( 0.000 -0.096 0.309) 0.324 3.292 ( 0.000 -3.036 4.833) 5.707 3.309 ( 0.000 0.984 -1.270) 1.606 3.333 ( 0.000 -3.017 -7.558) 8.138 3.461 ( 0.000 -2.386 -10.306) 10.578 3.513 ( 0.000 6.623 3.584) 7.531 3.616 ( 0.000 3.229 -3.886) 5.052 3.669 ( 0.000 5.904 -0.073) 5.904 3.726 ( 0.000 -0.187 1.202) 1.217 3.799 ( 0.000 5.475 -2.000) 5.829 3.823 ( 0.000 -0.194 0.297) 0.355 4.031 ( 0.000 -5.155 -0.265) 5.162 4.042 ( 0.000 -4.102 -1.198) 4.273 4.122 ( 0.000 2.039 -0.096) 2.042 4.135 ( 0.000 2.350 -2.448) 3.394 4.363 ( 0.000 1.267 2.595) 2.887 4.402 ( 0.000 0.500 -0.632) 0.806 4.512 ( 0.000 1.484 -0.741) 1.659 4.518 ( 0.000 0.395 -0.699) 0.803 4.983 ( 0.000 6.926 4.235) 8.118 5.014 ( 0.000 0.228 3.632) 3.640 5.112 ( 0.000 3.152 -2.007) 3.737 5.154 ( 0.000 -1.036 -4.480) 4.598 5.569 ( 0.000 -2.062 0.432) 2.107 5.587 ( 0.000 -2.602 -1.291) 2.904 6.072 ( 0.000 -11.089 18.656) 21.703 6.412 ( 0.000 -13.192 -13.995) 19.233 7.252 ( 0.000 3.557 0.989) 3.692 7.272 ( 0.000 2.750 -0.918) 2.899 7.470 ( 0.000 -3.401 1.824) 3.859 7.492 ( 0.000 -2.766 -0.079) 2.767 7.618 ( 0.000 2.495 0.063) 2.496 7.619 ( 0.000 0.769 -0.321) 0.833 7.831 ( 0.000 -0.012 3.361) 3.361 7.904 ( 0.000 0.470 -3.506) 3.538 10.907 ( 0.000 -3.500 0.026) 3.500 10.913 ( 0.000 -3.118 -0.585) 3.173 11.010 ( 0.000 -0.175 0.166) 0.241 11.017 ( 0.000 -0.590 -0.688) 0.907 11.082 ( 0.000 1.197 0.252) 1.223 11.084 ( 0.000 0.946 0.210) 0.969 11.231 ( 0.000 3.615 1.019) 3.756 11.244 ( 0.000 2.835 -0.339) 2.855 11.293 ( 0.000 0.687 0.058) 0.689 11.311 ( 0.000 2.155 -1.601) 2.685 11.496 ( 0.000 -0.533 1.729) 1.809 11.518 ( 0.000 -0.833 -0.455) 0.949 16.365 ( 0.000 -0.422 0.861) 0.959 16.382 ( 0.000 -0.536 -0.807) 0.969 16.396 ( 0.000 -0.680 0.314) 0.749 16.402 ( 0.000 -0.825 -0.312) 0.882 23.568 ( 0.000 -3.664 6.515) 7.475 23.707 ( 0.000 -3.506 -6.862) 7.706 24.018 ( 0.000 0.139 3.406) 3.409 24.049 ( 0.000 5.348 -0.439) 5.366 24.093 ( 0.000 3.045 1.195) 3.271 24.121 ( 0.000 0.844 -1.306) 1.555 24.670 ( 0.000 2.147 4.387) 4.884 24.769 ( 0.000 1.212 -5.391) 5.526 25.338 ( 0.000 -2.826 5.766) 6.422 25.402 ( 0.000 -2.684 -0.028) 2.684 25.604 ( 0.000 -2.705 -2.100) 3.424 25.634 ( 0.000 2.654 -5.204) 5.842 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 9.738 17.456 8.844) 21.857 1.120 ( 5.447 17.173 -0.165) 18.017 1.168 ( 6.855 7.619 18.289) 20.965 1.486 ( 6.748 3.662 -9.237) 12.011 1.633 ( 4.503 5.113 5.505) 8.759 1.715 ( 1.454 3.210 -0.153) 3.527 1.876 ( 11.773 3.684 2.762) 12.641 1.942 ( 2.796 5.058 0.750) 5.828 1.962 ( 4.031 5.842 0.374) 7.108 2.120 ( 4.231 -0.426 -8.232) 9.265 2.189 ( 5.432 9.187 5.285) 11.909 2.294 ( -0.027 3.903 -2.935) 4.883 2.360 ( 3.263 10.680 9.847) 14.889 2.564 ( 1.326 7.262 -5.596) 9.263 2.611 ( -1.545 2.599 2.180) 3.728 2.720 ( -3.558 2.322 -7.358) 8.496 2.827 ( 1.474 -3.886 8.503) 9.465 2.951 ( -4.671 -3.245 1.924) 6.004 3.043 ( -0.458 -1.228 -4.036) 4.243 3.086 ( 1.312 -0.380 -6.639) 6.778 3.145 ( -2.752 -1.699 4.907) 5.877 3.210 ( -3.789 2.320 -1.575) 4.714 3.227 ( -4.592 -1.892 7.556) 9.042 3.303 ( 1.154 -1.982 -0.599) 2.371 3.348 ( -0.003 -2.186 -5.593) 6.005 3.400 ( -1.740 -2.135 -7.434) 7.927 3.536 ( 0.828 2.520 0.408) 2.684 3.611 ( -0.042 3.521 -4.847) 5.991 3.639 ( -0.829 2.187 0.441) 2.380 3.688 ( -3.089 2.395 -3.096) 4.986 3.793 ( 0.155 2.397 3.826) 4.518 3.855 ( -1.646 0.485 -1.303) 2.155 4.037 ( 0.746 -2.469 3.771) 4.569 4.076 ( 3.021 -4.154 1.808) 5.446 4.113 ( 0.360 -1.958 -1.707) 2.623 4.178 ( 4.394 -0.597 -6.382) 7.771 4.371 ( 1.377 2.657 2.079) 3.644 4.399 ( -0.258 1.548 -0.454) 1.634 4.522 ( 0.355 2.466 -0.493) 2.539 4.527 ( 0.806 1.567 -0.468) 1.824 4.932 ( -7.304 1.161 5.566) 9.256 4.989 ( 0.428 4.666 4.710) 6.644 5.099 ( -4.434 0.947 -4.486) 6.378 5.128 ( 1.508 3.083 -2.856) 4.465 5.512 ( -4.374 -1.590 5.550) 7.243 5.625 ( 2.614 -3.629 -5.621) 7.183 6.038 ( -3.231 -10.219 18.093) 21.029 6.397 ( -2.630 -12.458 -16.933) 21.186 7.275 ( 2.049 4.364 0.966) 4.917 7.294 ( 2.051 3.530 -0.851) 4.171 7.482 ( 1.137 -2.540 2.591) 3.803 7.523 ( 2.015 -2.664 -1.033) 3.496 7.622 ( 0.273 1.593 0.885) 1.842 7.651 ( 2.662 1.716 -1.382) 3.455 7.849 ( 1.878 -1.782 4.185) 4.921 7.932 ( 2.496 -1.244 -3.612) 4.564 10.916 ( 0.823 -3.088 0.335) 3.214 10.926 ( 1.085 -2.757 -0.641) 3.031 11.016 ( 0.665 -0.102 0.070) 0.676 11.021 ( 0.411 -0.514 -0.494) 0.823 11.072 ( -0.928 1.529 0.664) 1.907 11.086 ( -0.141 0.915 -0.443) 1.027 11.215 ( -1.498 1.830 0.847) 2.512 11.231 ( -1.505 2.174 -0.651) 2.723 11.273 ( -1.141 1.487 0.324) 1.903 11.295 ( -1.643 1.887 -1.483) 2.908 11.443 ( -4.607 -0.198 1.488) 4.845 11.465 ( -4.889 -0.784 -0.614) 4.990 16.362 ( -0.075 -0.395 0.664) 0.776 16.375 ( -0.341 -0.534 -0.589) 0.865 16.409 ( 1.163 -0.674 0.423) 1.409 16.418 ( 1.212 -0.850 -0.440) 1.544 23.575 ( 0.922 -2.876 6.398) 7.075 23.710 ( 0.407 -2.773 -6.355) 6.945 24.009 ( -1.135 -1.504 4.077) 4.492 24.044 ( -0.206 4.504 -0.373) 4.525 24.080 ( -1.141 3.202 0.699) 3.471 24.104 ( -1.575 0.092 -1.281) 2.033 24.490 ( -12.589 7.056 8.529) 16.764 24.668 ( -8.746 3.401 -8.915) 12.944 25.432 ( 6.744 -2.265 8.206) 10.860 25.530 ( 10.430 -4.360 2.404) 11.557 25.623 ( 1.857 -3.336 -1.181) 3.997 25.776 ( 11.402 -1.278 -12.256) 16.789 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 6.929 6.066 7.966) 12.177 1.253 ( 10.623 8.579 6.157) 14.978 1.403 ( 14.820 9.294 10.757) 20.536 1.625 ( 5.727 7.568 -1.597) 9.624 1.672 ( 3.581 7.120 -4.031) 8.931 1.807 ( 7.290 6.137 -6.999) 11.823 1.977 ( 1.787 6.467 2.284) 7.087 2.032 ( 3.186 7.557 -1.417) 8.322 2.107 ( 5.473 6.633 0.207) 8.602 2.162 ( -0.098 3.321 -4.933) 5.948 2.230 ( -3.747 3.251 1.600) 5.212 2.320 ( -0.629 0.952 -5.633) 5.748 2.493 ( 0.713 7.187 4.756) 8.648 2.545 ( 6.034 3.902 4.104) 8.275 2.613 ( 0.296 5.352 -0.266) 5.367 2.670 ( 2.966 4.703 -1.275) 5.705 2.850 ( -0.472 -5.707 6.017) 8.306 2.890 ( -0.493 -3.395 2.994) 4.554 2.960 ( -5.992 0.433 0.032) 6.007 3.062 ( -3.519 1.659 -2.700) 4.735 3.093 ( 0.200 2.173 3.513) 4.136 3.187 ( 2.248 0.977 6.029) 6.508 3.201 ( 0.734 -2.126 -3.395) 4.072 3.342 ( 1.308 -3.403 -2.089) 4.202 3.359 ( 1.537 -2.850 -2.511) 4.098 3.422 ( 4.457 -0.891 -7.218) 8.530 3.509 ( -3.326 1.987 2.115) 4.414 3.573 ( -3.154 1.704 -2.823) 4.563 3.640 ( -2.725 3.373 -1.495) 4.587 3.670 ( -0.767 5.164 -5.741) 7.759 3.778 ( 1.195 -0.518 3.482) 3.717 3.825 ( 2.183 -1.539 -1.080) 2.881 4.069 ( 2.367 -5.325 3.446) 6.770 4.132 ( 0.926 -5.425 -1.710) 5.763 4.157 ( 3.455 -5.169 2.700) 6.779 4.224 ( -1.415 -1.151 -1.812) 2.571 4.395 ( 0.143 2.883 0.308) 2.903 4.422 ( 2.807 4.772 -2.541) 6.092 4.500 ( -3.057 3.846 2.944) 5.728 4.546 ( 0.821 4.409 -0.747) 4.547 4.817 ( -1.424 2.213 4.034) 4.816 4.937 ( -5.125 1.558 -6.773) 8.635 5.060 ( -0.145 4.412 5.670) 7.186 5.152 ( -0.213 3.111 -2.580) 4.047 5.442 ( -0.946 -2.240 12.890) 13.117 5.687 ( 3.713 -6.011 -10.199) 12.407 5.946 ( -5.952 -8.163 14.339) 17.540 6.288 ( -8.358 -11.237 -18.288) 23.034 7.321 ( 2.526 5.457 1.092) 6.111 7.342 ( 2.621 4.847 -0.962) 5.593 7.501 ( 0.489 0.644 1.900) 2.064 7.541 ( -0.332 0.101 -1.733) 1.768 7.632 ( 1.057 0.536 3.494) 3.689 7.697 ( 1.655 -0.635 -2.571) 3.123 7.896 ( 2.605 -3.808 4.779) 6.642 7.975 ( 1.282 -3.420 -2.699) 4.541 10.934 ( 0.888 -2.141 0.813) 2.456 10.945 ( 0.671 -1.948 -0.193) 2.070 11.030 ( 0.215 -0.328 -0.036) 0.394 11.034 ( 0.844 0.462 -0.354) 1.025 11.045 ( -1.439 1.233 0.638) 2.000 11.070 ( -1.521 0.654 -1.619) 2.316 11.185 ( -0.711 -0.557 1.028) 1.368 11.209 ( -0.399 0.971 -1.034) 1.474 11.253 ( -1.708 0.626 0.144) 1.825 11.263 ( -0.864 2.652 -0.661) 2.866 11.348 ( -4.721 0.240 0.348) 4.740 11.358 ( -5.206 -0.810 -0.584) 5.300 16.364 ( 0.237 -0.363 0.393) 0.585 16.372 ( -0.029 -0.463 -0.371) 0.594 16.433 ( 1.121 -0.739 0.369) 1.392 16.441 ( 0.957 -0.876 -0.374) 1.350 23.610 ( 2.700 -1.800 6.351) 7.132 23.729 ( 1.486 -2.068 -4.331) 5.024 23.963 ( -3.259 -4.967 5.428) 8.047 24.038 ( -1.615 -1.124 -2.092) 2.872 24.064 ( -0.168 3.936 0.197) 3.944 24.076 ( -0.192 3.685 -0.810) 3.778 24.297 ( -6.633 10.254 7.460) 14.311 24.481 ( -9.653 7.350 -9.956) 15.695 25.555 ( 5.761 -2.926 7.252) 9.713 25.664 ( 1.995 -4.161 1.504) 4.853 25.747 ( 10.715 -4.052 2.250) 11.675 25.957 ( 5.949 -4.217 -13.074) 14.970 ======================= Grid point 136 (48/60) ======================= q-point: ( 0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 4.792 3.357 8.354) 10.199 1.387 ( 0.951 0.616 4.043) 4.199 1.666 ( 10.972 6.920 9.691) 16.192 1.758 ( 12.740 10.442 2.581) 16.674 1.805 ( 2.334 4.229 -2.588) 5.480 1.929 ( 4.130 7.085 -7.435) 11.070 1.992 ( -4.968 6.238 -1.764) 8.167 2.010 ( -4.653 3.621 -2.257) 6.313 2.084 ( 0.862 10.044 -0.651) 10.102 2.144 ( -2.175 10.838 -2.914) 11.432 2.198 ( 0.017 10.758 -2.204) 10.982 2.240 ( -4.867 9.730 -6.559) 12.704 2.400 ( -1.434 1.731 3.968) 4.560 2.483 ( -7.511 1.467 -3.643) 8.476 2.788 ( 4.881 -2.017 1.839) 5.592 2.795 ( 7.724 1.441 2.519) 8.252 2.842 ( -2.509 -7.365 1.129) 7.862 2.878 ( 4.580 -3.110 -0.379) 5.550 2.907 ( -2.540 0.974 4.402) 5.175 2.981 ( -4.616 0.938 -1.579) 4.968 3.151 ( 3.939 -1.004 0.072) 4.065 3.207 ( -0.558 -1.391 -3.369) 3.687 3.293 ( 4.165 -2.262 3.989) 6.194 3.333 ( -1.732 -4.851 -3.328) 6.133 3.424 ( 5.582 1.961 5.336) 7.967 3.470 ( 1.994 2.989 2.605) 4.438 3.475 ( -0.301 0.108 2.035) 2.060 3.524 ( -1.257 2.102 -3.342) 4.144 3.569 ( -1.580 4.483 -0.004) 4.754 3.664 ( -1.479 5.566 -3.727) 6.860 3.837 ( 3.236 -0.613 3.385) 4.723 3.886 ( 0.624 -0.530 -0.952) 1.256 4.070 ( -3.726 -2.639 3.613) 5.822 4.087 ( -2.133 -6.860 1.198) 7.283 4.191 ( 1.052 -4.665 -1.080) 4.902 4.202 ( 0.242 -4.257 -1.018) 4.384 4.418 ( 2.369 3.154 -0.310) 3.957 4.443 ( -0.237 4.178 -2.548) 4.900 4.450 ( -0.738 3.446 -0.630) 3.580 4.511 ( -4.808 5.835 -5.465) 9.329 4.895 ( 6.797 2.557 1.472) 7.410 4.919 ( 4.265 3.010 -1.107) 5.336 5.021 ( -3.638 4.095 4.770) 7.264 5.079 ( -6.827 4.045 0.075) 7.936 5.520 ( 8.010 -4.465 13.813) 16.580 5.687 ( -6.742 -7.147 7.468) 12.341 5.909 ( 5.737 -7.437 -8.844) 12.901 6.092 ( -10.994 -9.854 -16.980) 22.501 7.368 ( 2.035 6.148 0.776) 6.522 7.382 ( 0.960 5.996 -0.564) 6.098 7.500 ( 0.004 2.942 0.469) 2.979 7.518 ( -1.548 2.506 -1.149) 3.162 7.668 ( 2.361 -1.837 3.471) 4.582 7.705 ( -0.936 -2.096 0.162) 2.302 7.943 ( 2.122 -4.198 2.110) 5.155 7.976 ( -1.068 -4.113 -0.885) 4.340 10.948 ( 0.561 -1.346 0.933) 1.731 10.953 ( 0.150 -1.292 0.558) 1.416 11.011 ( -0.939 -0.243 -0.702) 1.198 11.015 ( -1.382 -0.287 -0.954) 1.704 11.054 ( 0.693 0.828 -0.215) 1.101 11.059 ( 0.217 0.267 -0.761) 0.835 11.194 ( 1.068 0.076 0.880) 1.386 11.209 ( -0.086 1.405 -0.425) 1.470 11.226 ( -0.367 -0.141 1.182) 1.246 11.248 ( -1.373 1.279 0.078) 1.878 11.273 ( -1.747 -0.496 -0.983) 2.065 11.287 ( -2.318 -0.310 -1.478) 2.767 16.369 ( 0.235 -0.367 0.118) 0.452 16.372 ( -0.042 -0.403 -0.139) 0.429 16.450 ( 0.543 -0.811 0.136) 0.985 16.453 ( 0.240 -0.862 -0.157) 0.908 23.677 ( 3.926 -1.712 6.340) 7.651 23.740 ( -1.504 -2.152 2.484) 3.615 23.924 ( 0.533 -5.542 0.382) 5.580 23.977 ( -3.730 -5.465 -2.892) 7.220 24.076 ( 1.032 5.343 0.477) 5.462 24.088 ( 0.312 6.137 -0.519) 6.167 24.235 ( 0.513 9.975 1.276) 10.069 24.314 ( -6.966 9.750 -6.069) 13.432 25.648 ( 3.519 -3.809 5.591) 7.626 25.685 ( -0.259 -4.331 3.747) 5.733 25.921 ( 6.778 -3.865 -2.235) 8.116 26.001 ( -1.198 -4.214 -8.219) 9.314 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 10.879 14.924) 18.469 1.345 ( 0.000 14.524 8.678) 16.919 1.478 ( 0.000 8.615 1.584) 8.760 1.492 ( 0.000 17.838 -1.112) 17.872 1.578 ( 0.000 4.450 5.713) 7.242 1.787 ( 0.000 -1.137 -12.330) 12.382 1.946 ( 0.000 14.660 -3.731) 15.127 1.961 ( 0.000 5.909 -5.614) 8.151 2.043 ( 0.000 4.846 4.308) 6.484 2.126 ( 0.000 2.158 -3.525) 4.134 2.285 ( 0.000 6.800 3.156) 7.496 2.361 ( 0.000 3.937 -5.010) 6.372 2.572 ( 0.000 -0.664 9.146) 9.170 2.696 ( 0.000 18.031 10.018) 20.627 2.724 ( 0.000 -3.288 -7.229) 7.942 2.782 ( 0.000 0.793 5.774) 5.828 2.789 ( 0.000 10.416 -3.008) 10.842 2.956 ( 0.000 -6.545 4.546) 7.968 2.981 ( 0.000 -1.492 -3.120) 3.458 3.021 ( 0.000 -0.338 -5.890) 5.899 3.055 ( 0.000 -3.391 4.629) 5.739 3.221 ( 0.000 -6.826 -10.174) 12.252 3.284 ( 0.000 1.766 3.183) 3.640 3.307 ( 0.000 1.206 4.826) 4.974 3.388 ( 0.000 8.597 -2.075) 8.844 3.478 ( 0.000 4.226 -3.664) 5.593 3.538 ( 0.000 -7.368 1.124) 7.454 3.571 ( 0.000 -2.727 -6.160) 6.736 3.761 ( 0.000 6.478 3.841) 7.531 3.805 ( 0.000 -1.903 2.519) 3.157 3.825 ( 0.000 3.225 2.220) 3.915 3.839 ( 0.000 4.375 -3.185) 5.412 3.989 ( 0.000 1.042 -5.514) 5.611 4.003 ( 0.000 1.395 -4.742) 4.943 4.184 ( 0.000 2.739 1.354) 3.055 4.199 ( 0.000 3.585 -1.246) 3.795 4.389 ( 0.000 0.632 2.457) 2.537 4.421 ( 0.000 0.952 -1.322) 1.629 4.515 ( 0.000 -0.163 0.447) 0.476 4.542 ( 0.000 2.256 -1.894) 2.946 5.009 ( 0.000 -0.624 4.108) 4.155 5.073 ( 0.000 -0.081 -1.818) 1.820 5.159 ( 0.000 3.104 0.387) 3.128 5.182 ( 0.000 2.974 -0.642) 3.042 5.487 ( 0.000 -7.341 -0.284) 7.346 5.503 ( 0.000 -6.242 -2.022) 6.561 5.846 ( 0.000 -9.187 16.397) 18.796 6.139 ( 0.000 -13.044 -11.406) 17.327 7.321 ( 0.000 1.367 0.096) 1.370 7.326 ( 0.000 2.832 -0.348) 2.853 7.415 ( 0.000 -1.776 2.252) 2.868 7.459 ( 0.000 -0.458 -2.013) 2.065 7.613 ( 0.000 -0.438 1.246) 1.321 7.643 ( 0.000 0.620 -1.477) 1.602 7.842 ( 0.000 0.900 3.953) 4.054 7.914 ( 0.000 0.257 -2.873) 2.885 10.845 ( 0.000 -2.718 -0.237) 2.728 10.851 ( 0.000 -2.965 -0.720) 3.051 11.002 ( 0.000 -0.523 -0.107) 0.534 11.002 ( 0.000 -0.778 -0.290) 0.831 11.091 ( 0.000 -0.184 -0.013) 0.185 11.092 ( 0.000 -0.152 -0.536) 0.557 11.257 ( 0.000 -0.255 0.094) 0.272 11.264 ( 0.000 0.280 -0.354) 0.451 11.372 ( 0.000 6.083 2.530) 6.588 11.410 ( 0.000 6.184 -0.933) 6.254 11.486 ( 0.000 -0.414 0.939) 1.026 11.501 ( 0.000 -0.679 -0.427) 0.802 16.353 ( 0.000 -0.810 0.596) 1.006 16.364 ( 0.000 -1.259 -0.502) 1.355 16.382 ( 0.000 -0.629 0.040) 0.630 16.382 ( 0.000 -1.034 -0.013) 1.034 23.505 ( 0.000 -2.434 5.465) 5.983 23.634 ( 0.000 -3.692 -6.768) 7.710 23.962 ( 0.000 -4.522 7.003) 8.337 24.060 ( 0.000 -3.751 -3.073) 4.850 24.207 ( 0.000 7.193 0.856) 7.244 24.219 ( 0.000 7.810 -0.196) 7.812 24.721 ( 0.000 2.902 3.531) 4.571 24.802 ( 0.000 2.130 -4.478) 4.958 25.256 ( 0.000 -5.286 5.285) 7.475 25.335 ( 0.000 -4.355 -1.955) 4.774 25.560 ( 0.000 -0.646 3.367) 3.429 25.692 ( 0.000 2.796 -9.146) 9.564 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.141 9.434 14.031) 16.908 1.382 ( 8.626 13.869 10.918) 19.646 1.447 ( -0.053 12.891 0.324) 12.895 1.601 ( 6.069 8.137 -8.155) 13.021 1.714 ( 11.920 6.819 3.090) 14.075 1.851 ( 3.894 3.845 -8.451) 10.069 1.982 ( 5.887 6.360 0.738) 8.698 2.052 ( 5.132 9.484 -1.717) 10.919 2.086 ( 6.567 6.302 -0.249) 9.105 2.154 ( 2.714 1.734 -3.711) 4.913 2.315 ( 2.276 5.711 0.761) 6.195 2.356 ( -0.140 3.677 -3.426) 5.027 2.574 ( -0.232 -0.165 7.279) 7.285 2.696 ( -3.069 0.435 -4.828) 5.737 2.734 ( 2.734 15.711 4.964) 16.702 2.774 ( 0.193 0.021 9.322) 9.324 2.792 ( 0.722 8.181 -2.961) 8.730 2.899 ( -4.663 -1.223 0.611) 4.860 2.993 ( 0.230 -5.344 5.550) 7.708 3.065 ( 3.595 -2.525 -1.314) 4.585 3.105 ( 3.413 2.641 -2.983) 5.246 3.214 ( -1.353 -4.064 -5.922) 7.308 3.242 ( -0.759 -0.007 1.174) 1.398 3.315 ( -1.340 -2.516 -1.395) 3.173 3.344 ( -1.400 5.940 0.384) 6.115 3.418 ( -6.204 5.653 -4.726) 9.632 3.544 ( 0.725 -2.496 2.790) 3.813 3.610 ( 2.418 -1.038 -4.683) 5.372 3.672 ( -3.639 3.613 3.675) 6.309 3.768 ( -3.936 4.380 -1.600) 6.102 3.813 ( -1.247 0.890 -1.211) 1.953 3.862 ( -0.189 0.755 -3.256) 3.347 3.989 ( 3.826 -1.280 4.359) 5.939 4.060 ( -2.054 2.453 -0.024) 3.199 4.122 ( -4.130 1.630 1.131) 4.582 4.192 ( 1.012 1.796 -6.510) 6.828 4.420 ( 3.451 0.490 2.191) 4.117 4.444 ( 2.253 2.588 -1.344) 3.685 4.534 ( 1.899 -0.250 0.349) 1.947 4.557 ( 1.168 2.195 -1.941) 3.154 4.951 ( -5.276 0.820 4.570) 7.028 5.039 ( -2.970 -0.127 -3.175) 4.350 5.161 ( 0.012 4.696 1.708) 4.997 5.183 ( 0.448 1.552 0.153) 1.623 5.469 ( -3.023 -2.868 1.279) 4.359 5.503 ( 0.876 -9.150 -1.707) 9.349 5.828 ( -1.887 -9.027 14.406) 17.106 6.127 ( -2.156 -13.605 -13.467) 19.264 7.352 ( 2.823 1.588 0.886) 3.358 7.366 ( 3.527 3.028 -0.525) 4.679 7.447 ( 3.132 -0.489 1.514) 3.513 7.481 ( 2.169 -0.711 -1.577) 2.774 7.627 ( 1.229 -0.474 1.609) 2.080 7.666 ( 1.778 0.044 -2.059) 2.720 7.833 ( -0.756 0.168 4.307) 4.376 7.911 ( -0.334 -0.875 -3.032) 3.173 10.857 ( 1.268 -2.724 0.287) 3.019 10.870 ( 1.603 -2.784 -0.944) 3.348 11.006 ( 0.383 -0.807 -0.189) 0.913 11.007 ( 0.413 -0.732 -0.116) 0.848 11.089 ( -0.205 0.177 0.073) 0.281 11.097 ( 0.209 0.015 -0.509) 0.550 11.227 ( -2.803 -0.139 0.566) 2.863 11.246 ( -1.861 -0.029 -1.092) 2.158 11.350 ( -2.168 5.305 2.261) 6.161 11.380 ( -2.663 5.439 -0.343) 6.066 11.443 ( -3.821 0.154 0.244) 3.832 11.451 ( -4.508 -0.222 -0.367) 4.529 16.352 ( 0.037 -0.646 0.456) 0.792 16.360 ( -0.150 -0.950 -0.365) 1.029 16.393 ( 1.015 -0.922 0.215) 1.387 16.397 ( 1.094 -1.181 -0.186) 1.621 23.523 ( 1.815 -2.166 5.458) 6.146 23.648 ( 1.340 -3.287 -6.277) 7.211 23.935 ( -2.686 -4.756 6.890) 8.792 24.034 ( -2.714 -4.400 -3.115) 6.035 24.185 ( -1.676 6.553 0.674) 6.797 24.199 ( -1.234 7.047 -0.683) 7.187 24.634 ( -7.046 7.084 5.612) 11.460 24.765 ( -3.961 6.251 -7.298) 10.393 25.334 ( 6.150 -7.573 5.618) 11.258 25.434 ( 9.115 -6.001 -2.381) 11.170 25.570 ( 1.312 -0.464 6.403) 6.552 25.763 ( 5.972 -0.103 -10.986) 12.504 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 4.147 8.089 7.717) 11.924 1.455 ( 1.196 9.918 0.619) 10.009 1.603 ( 12.502 10.261 9.546) 18.781 1.756 ( 8.575 6.861 -6.117) 12.571 1.875 ( 3.267 9.721 1.090) 10.313 1.950 ( 8.411 7.695 -6.082) 12.921 2.101 ( 4.448 4.279 0.918) 6.240 2.149 ( 3.472 3.741 -2.839) 5.840 2.228 ( 4.349 4.390 0.555) 6.204 2.263 ( 9.263 7.702 -1.644) 12.158 2.338 ( 0.311 6.143 -1.300) 6.287 2.359 ( -0.066 4.035 -3.127) 5.106 2.560 ( -0.463 -0.942 1.827) 2.107 2.592 ( -6.813 1.074 -0.363) 6.907 2.760 ( -2.317 -0.555 3.484) 4.221 2.788 ( -2.921 1.771 3.451) 4.855 2.804 ( 1.084 5.746 -0.589) 5.877 2.841 ( 2.854 8.898 -0.096) 9.345 2.995 ( 0.009 -3.030 6.495) 7.167 3.081 ( -4.531 5.719 -0.116) 7.297 3.135 ( 1.152 0.620 -5.024) 5.192 3.167 ( -1.815 -0.761 -6.021) 6.335 3.270 ( 0.673 3.361 2.887) 4.481 3.290 ( -0.696 -1.414 -1.117) 1.932 3.325 ( 3.861 2.025 2.227) 4.896 3.407 ( 4.804 0.716 -2.136) 5.306 3.560 ( -1.102 0.961 2.849) 3.202 3.607 ( -1.660 4.049 0.984) 4.486 3.664 ( 1.135 -0.890 -0.928) 1.715 3.724 ( 0.830 1.899 -1.425) 2.516 3.773 ( -2.491 -0.734 1.640) 3.072 3.835 ( -1.327 3.789 -4.992) 6.406 3.997 ( -0.961 -1.695 1.573) 2.504 4.028 ( -1.469 -3.697 -1.032) 4.110 4.096 ( 2.165 -1.239 6.049) 6.543 4.222 ( 0.518 0.682 -5.152) 5.223 4.453 ( 0.784 2.556 2.231) 3.482 4.524 ( 2.555 4.316 -4.512) 6.747 4.567 ( -0.538 3.210 1.931) 3.784 4.600 ( 4.348 1.523 0.087) 4.608 4.857 ( -1.620 1.696 4.185) 4.798 4.971 ( -3.391 1.675 -6.081) 7.161 5.150 ( -1.285 3.131 3.879) 5.148 5.209 ( 1.250 2.198 -1.422) 2.901 5.395 ( -3.188 -2.225 8.387) 9.244 5.522 ( 0.895 -9.963 -3.091) 10.470 5.771 ( -3.736 -8.462 8.268) 12.407 6.032 ( -7.516 -13.666 -14.537) 21.321 7.416 ( 3.627 2.282 1.633) 4.586 7.444 ( 4.052 4.062 -0.945) 5.815 7.519 ( 3.668 2.477 0.434) 4.447 7.533 ( 2.781 -0.055 -0.858) 2.911 7.645 ( 0.141 0.265 1.761) 1.787 7.685 ( -0.113 -0.829 -1.808) 1.993 7.825 ( 0.229 -2.419 4.281) 4.922 7.901 ( -0.805 -3.462 -2.749) 4.494 10.888 ( 1.698 -2.343 0.795) 3.001 10.902 ( 1.514 -2.271 -0.597) 2.793 11.013 ( 0.189 -1.145 0.230) 1.183 11.019 ( 0.712 -1.196 -0.478) 1.471 11.066 ( -2.346 0.543 0.713) 2.512 11.091 ( -1.415 0.731 -1.340) 2.082 11.176 ( -1.107 -0.506 1.376) 1.837 11.214 ( -0.643 -0.267 -2.099) 2.211 11.293 ( -3.076 2.833 1.883) 4.586 11.329 ( -2.727 3.374 -1.250) 4.514 11.347 ( -4.717 0.504 1.103) 4.870 11.369 ( -3.853 2.093 -0.791) 4.455 16.355 ( 0.291 -0.477 0.269) 0.620 16.361 ( 0.114 -0.663 -0.216) 0.706 16.414 ( 0.988 -1.145 0.217) 1.528 16.418 ( 0.916 -1.356 -0.177) 1.646 23.573 ( 3.196 -1.743 5.459) 6.562 23.681 ( 1.800 -2.650 -4.203) 5.285 23.869 ( -3.510 -4.553 5.478) 7.941 23.960 ( -4.453 -5.090 -3.082) 7.432 24.171 ( 0.552 6.095 0.670) 6.157 24.196 ( 1.255 6.643 -1.897) 7.022 24.498 ( -6.264 9.642 6.131) 13.030 24.651 ( -7.379 8.989 -8.854) 14.617 25.459 ( 6.215 -6.585 6.241) 10.997 25.573 ( 2.701 -5.056 -1.888) 6.035 25.663 ( 9.221 -3.182 6.746) 11.860 25.871 ( 4.106 -3.993 -10.777) 12.205 ======================= Grid point 143 (52/60) ======================= q-point: ( 0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 3.545 7.213 3.004) 8.580 1.473 ( -0.186 7.490 0.559) 7.514 1.817 ( 8.403 7.214 5.274) 12.267 1.885 ( 2.909 3.697 -2.735) 5.441 1.962 ( 6.184 9.728 2.170) 11.729 2.067 ( -0.567 8.068 -4.302) 9.161 2.110 ( 0.423 4.661 2.809) 5.459 2.174 ( -3.171 8.850 -1.269) 9.486 2.271 ( 4.697 6.435 -0.612) 7.990 2.339 ( -2.817 4.541 -5.710) 7.821 2.392 ( 4.427 6.679 -0.233) 8.016 2.411 ( 4.954 9.904 -1.209) 11.140 2.480 ( -2.272 6.096 3.068) 7.193 2.537 ( -4.248 2.389 -1.584) 5.125 2.672 ( -3.175 -6.966 0.986) 7.718 2.690 ( -5.386 -4.290 -1.080) 6.970 2.873 ( 4.685 5.961 1.026) 7.651 2.917 ( 4.579 4.424 -3.077) 7.072 2.966 ( -3.696 4.892 3.395) 7.008 2.996 ( -3.415 0.245 0.883) 3.536 3.152 ( 2.517 2.478 -2.720) 4.458 3.189 ( 2.244 -1.156 -5.024) 5.622 3.240 ( -2.556 -1.325 -0.512) 2.924 3.264 ( -2.479 -1.054 -2.830) 3.907 3.456 ( 2.489 0.072 3.168) 4.029 3.489 ( 4.986 1.087 0.488) 5.126 3.506 ( -3.237 0.625 2.853) 4.360 3.566 ( -3.806 1.781 -1.939) 4.628 3.684 ( 6.085 7.915 7.575) 12.533 3.764 ( 0.374 3.225 0.426) 3.274 3.805 ( 5.212 -1.731 1.785) 5.775 3.869 ( 2.279 0.473 -3.156) 3.921 3.967 ( -1.949 -4.723 2.776) 5.815 3.998 ( -2.561 -4.327 0.188) 5.031 4.135 ( 1.567 -1.205 4.425) 4.847 4.184 ( -3.882 2.181 0.559) 4.488 4.475 ( 1.548 2.629 1.070) 3.233 4.515 ( -2.623 3.710 0.149) 4.546 4.543 ( 1.588 5.563 -4.700) 7.453 4.619 ( -3.732 5.183 -5.621) 8.508 4.945 ( 7.727 2.044 2.038) 8.248 4.975 ( 4.393 2.187 -1.402) 5.104 5.103 ( -3.180 2.872 4.224) 6.017 5.157 ( -6.475 2.646 0.031) 6.995 5.414 ( 4.788 -5.335 9.310) 11.750 5.510 ( -3.314 -9.640 3.889) 10.911 5.735 ( 2.175 -9.343 -5.421) 11.019 5.860 ( -9.093 -12.757 -12.901) 20.295 7.488 ( 3.425 4.280 1.150) 5.601 7.511 ( 2.154 5.881 -1.070) 6.353 7.563 ( 0.026 1.280 0.117) 1.286 7.565 ( 0.326 3.080 -0.231) 3.106 7.644 ( 0.735 0.530 1.718) 1.942 7.668 ( -1.308 -0.707 -0.320) 1.521 7.843 ( 1.462 -5.177 1.901) 5.705 7.876 ( -1.711 -5.350 -1.044) 5.713 10.917 ( 1.221 -1.643 1.011) 2.283 10.925 ( 0.646 -1.419 0.420) 1.614 11.002 ( -1.382 -1.340 -0.332) 1.954 11.004 ( -1.531 -0.740 -0.800) 1.879 11.047 ( 0.574 -0.773 0.131) 0.972 11.058 ( -0.865 -0.271 -0.919) 1.292 11.190 ( 1.613 -0.826 1.171) 2.157 11.218 ( -0.062 -1.024 -1.252) 1.619 11.248 ( -0.984 2.182 1.698) 2.935 11.274 ( -1.425 1.865 0.442) 2.388 11.290 ( -1.897 2.355 -0.974) 3.177 11.305 ( -2.379 2.415 -1.296) 3.629 16.361 ( 0.215 -0.424 0.093) 0.484 16.363 ( 0.040 -0.487 -0.067) 0.494 16.428 ( 0.444 -1.311 0.097) 1.387 16.430 ( 0.277 -1.391 -0.066) 1.420 23.641 ( 3.590 -1.738 5.195) 6.550 23.695 ( -1.193 -2.172 1.856) 3.097 23.829 ( 0.284 -4.386 0.155) 4.398 23.876 ( -3.835 -4.849 -2.775) 6.777 24.202 ( 2.287 6.881 0.842) 7.300 24.229 ( 0.670 7.533 -1.517) 7.713 24.421 ( -0.256 8.260 1.421) 8.386 24.502 ( -7.135 8.454 -6.148) 12.656 25.558 ( 3.651 -4.567 5.598) 8.095 25.596 ( -0.230 -3.747 3.887) 5.403 25.826 ( 6.474 -5.339 -1.445) 8.515 25.901 ( -1.139 -5.403 -6.950) 8.876 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 1.901 12.625) 12.767 1.525 ( 0.000 1.497 0.236) 1.515 1.590 ( 0.000 4.413 3.119) 5.404 1.738 ( 0.000 4.464 -10.418) 11.334 1.819 ( 0.000 15.871 0.916) 15.898 1.864 ( 0.000 13.052 -4.323) 13.750 2.048 ( 0.000 2.541 2.210) 3.368 2.089 ( 0.000 3.586 -1.254) 3.799 2.230 ( 0.000 9.897 0.068) 9.897 2.260 ( 0.000 12.603 -3.282) 13.023 2.375 ( 0.000 1.106 1.118) 1.572 2.417 ( 0.000 0.425 -3.632) 3.657 2.562 ( 0.000 3.480 2.965) 4.572 2.642 ( 0.000 -3.211 -4.980) 5.926 2.796 ( 0.000 -2.159 6.804) 7.138 2.839 ( 0.000 -1.200 6.816) 6.921 2.883 ( 0.000 -2.506 -3.308) 4.149 2.929 ( 0.000 -1.589 -2.223) 2.733 2.935 ( 0.000 -1.883 5.970) 6.260 3.035 ( 0.000 -2.618 2.934) 3.933 3.080 ( 0.000 5.645 -1.445) 5.827 3.108 ( 0.000 -3.939 -8.819) 9.659 3.232 ( 0.000 -6.340 3.032) 7.028 3.307 ( 0.000 -12.388 -2.898) 12.722 3.363 ( 0.000 8.263 4.853) 9.583 3.483 ( 0.000 4.202 -5.835) 7.191 3.616 ( 0.000 10.251 4.460) 11.180 3.757 ( 0.000 10.963 -5.498) 12.264 3.800 ( 0.000 2.426 2.819) 3.719 3.841 ( 0.000 0.040 2.964) 2.965 3.880 ( 0.000 2.311 -1.685) 2.860 3.906 ( 0.000 7.465 5.359) 9.189 4.051 ( 0.000 3.409 -4.097) 5.330 4.120 ( 0.000 8.628 -7.815) 11.642 4.184 ( 0.000 -2.404 4.898) 5.456 4.257 ( 0.000 2.753 -2.416) 3.663 4.384 ( 0.000 0.395 1.237) 1.299 4.439 ( 0.000 0.754 -4.110) 4.179 4.530 ( 0.000 1.207 3.702) 3.894 4.608 ( 0.000 4.291 -3.315) 5.423 4.988 ( 0.000 -1.760 2.493) 3.052 5.026 ( 0.000 -3.482 -1.620) 3.841 5.173 ( 0.000 -6.666 5.925) 8.918 5.223 ( 0.000 2.328 2.654) 3.530 5.312 ( 0.000 -5.943 -1.778) 6.203 5.336 ( 0.000 -10.856 -6.496) 12.651 5.763 ( 0.000 -0.348 9.520) 9.526 5.934 ( 0.000 -7.691 -6.068) 9.796 7.316 ( 0.000 -1.242 0.181) 1.255 7.324 ( 0.000 -1.819 -0.230) 1.834 7.416 ( 0.000 0.538 0.739) 0.914 7.452 ( 0.000 -0.991 -2.580) 2.764 7.638 ( 0.000 3.170 1.816) 3.653 7.674 ( 0.000 2.832 -1.582) 3.244 7.852 ( 0.000 -0.077 3.259) 3.260 7.907 ( 0.000 -1.127 -1.920) 2.226 10.803 ( 0.000 -1.576 -0.614) 1.691 10.804 ( 0.000 -1.798 -0.582) 1.890 10.990 ( 0.000 -0.464 -0.094) 0.473 10.992 ( 0.000 -0.466 -0.210) 0.511 11.081 ( 0.000 -0.686 -0.348) 0.769 11.082 ( 0.000 -0.750 -0.671) 1.006 11.253 ( 0.000 -0.075 0.418) 0.424 11.267 ( 0.000 -0.028 -0.734) 0.734 11.460 ( 0.000 1.547 2.722) 3.131 11.477 ( 0.000 -0.057 1.308) 1.310 11.518 ( 0.000 3.347 -0.270) 3.358 11.523 ( 0.000 4.514 -0.844) 4.592 16.334 ( 0.000 -1.008 0.131) 1.017 16.338 ( 0.000 -1.246 -0.295) 1.281 16.367 ( 0.000 -0.522 0.371) 0.641 16.371 ( 0.000 -0.486 -0.025) 0.487 23.477 ( 0.000 -0.398 3.085) 3.111 23.569 ( 0.000 -2.932 -5.455) 6.193 23.871 ( 0.000 -4.141 5.800) 7.127 23.955 ( 0.000 -6.137 -2.620) 6.673 24.344 ( 0.000 6.311 1.175) 6.420 24.362 ( 0.000 6.196 -0.489) 6.215 24.781 ( 0.000 3.167 3.552) 4.759 24.847 ( 0.000 2.210 -2.929) 3.669 25.149 ( 0.000 -5.085 3.615) 6.240 25.228 ( 0.000 -6.083 -4.221) 7.404 25.593 ( 0.000 3.403 5.855) 6.772 25.730 ( 0.000 0.836 -7.542) 7.588 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 4.303 4.169 10.245) 11.868 1.528 ( 3.018 3.537 2.727) 5.390 1.676 ( 5.386 7.092 -0.354) 8.913 1.782 ( 5.531 4.117 -9.898) 12.063 1.840 ( 3.439 8.378 2.533) 9.404 1.923 ( 3.900 8.643 -5.291) 10.859 2.107 ( 4.968 6.027 2.501) 8.201 2.142 ( 4.540 1.029 0.355) 4.669 2.259 ( 2.256 10.121 -0.965) 10.414 2.295 ( 4.555 11.207 -3.305) 12.541 2.378 ( 0.041 -0.225 0.713) 0.749 2.419 ( 0.777 1.775 -3.663) 4.144 2.581 ( 1.036 2.936 2.147) 3.782 2.644 ( -0.294 -1.462 -3.926) 4.199 2.796 ( -0.432 -0.673 6.422) 6.472 2.836 ( -0.552 -1.214 4.956) 5.133 2.890 ( -0.270 -0.865 2.061) 2.251 2.926 ( 1.520 2.741 -0.922) 3.267 2.956 ( 0.812 -6.539 -0.045) 6.589 3.039 ( -1.073 0.553 -3.506) 3.708 3.097 ( 4.791 -2.792 0.963) 5.628 3.183 ( -1.178 -4.875 1.469) 5.226 3.189 ( 4.017 -0.446 -5.148) 6.545 3.237 ( -4.184 -5.813 -3.305) 7.887 3.408 ( 3.583 5.167 6.214) 8.841 3.497 ( 0.561 7.102 -1.349) 7.251 3.635 ( 0.279 5.820 2.108) 6.197 3.706 ( -4.661 8.285 -2.747) 9.895 3.767 ( -2.919 4.458 4.547) 7.005 3.816 ( -0.474 4.866 2.544) 5.512 3.849 ( -3.192 0.170 -4.466) 5.492 3.924 ( -1.110 6.954 -3.090) 7.690 4.019 ( 0.749 3.145 5.147) 6.078 4.141 ( -4.563 -0.637 4.277) 6.287 4.152 ( -2.452 8.166 -4.313) 9.555 4.226 ( -0.896 1.788 -4.032) 4.500 4.394 ( 1.897 -1.971 1.035) 2.925 4.422 ( 2.211 -4.107 -2.429) 5.259 4.574 ( 2.721 3.460 0.861) 4.485 4.626 ( 1.440 4.304 -3.442) 5.696 4.955 ( -3.060 -0.746 3.077) 4.403 5.014 ( -1.041 -2.271 -2.541) 3.563 5.149 ( -1.272 -5.323 4.232) 6.918 5.229 ( -0.548 -1.180 -2.964) 3.236 5.293 ( 1.707 -7.320 5.820) 9.506 5.405 ( 2.190 -3.874 -5.151) 6.807 5.728 ( -3.485 -1.638 8.376) 9.219 5.902 ( -3.472 -8.888 -7.383) 12.065 7.341 ( 2.549 -1.464 0.863) 3.063 7.363 ( 3.510 -2.101 -0.971) 4.205 7.459 ( 4.160 0.373 0.645) 4.226 7.485 ( 3.333 -0.529 -1.871) 3.859 7.647 ( 0.766 3.116 1.993) 3.778 7.687 ( 0.933 2.663 -1.843) 3.370 7.837 ( -1.344 -0.131 3.125) 3.404 7.892 ( -1.424 -1.258 -2.007) 2.764 10.814 ( 1.318 -1.608 0.009) 2.079 10.824 ( 1.645 -1.879 -0.887) 2.651 10.992 ( 0.169 -0.534 -0.072) 0.564 10.993 ( 0.165 -0.566 -0.194) 0.621 11.085 ( 0.342 -0.412 -0.182) 0.566 11.089 ( 0.628 -0.579 -0.450) 0.965 11.222 ( -3.008 -0.219 0.541) 3.064 11.242 ( -2.358 -0.413 -1.214) 2.684 11.422 ( -3.842 1.406 2.272) 4.679 11.438 ( -3.567 0.095 1.029) 3.714 11.478 ( -3.362 4.290 0.184) 5.454 11.494 ( -2.779 3.828 -0.878) 4.811 16.338 ( 0.373 -0.777 0.116) 0.870 16.341 ( 0.297 -0.933 -0.212) 1.002 16.375 ( 0.734 -0.792 0.288) 1.118 16.378 ( 0.663 -0.719 -0.015) 0.978 23.497 ( 1.962 -0.443 3.254) 3.825 23.587 ( 1.780 -2.834 -5.160) 6.150 23.845 ( -2.430 -3.928 5.487) 7.172 23.925 ( -2.878 -5.970 -2.441) 7.063 24.305 ( -2.700 5.347 0.699) 6.031 24.323 ( -2.433 5.193 -1.058) 5.831 24.764 ( -2.743 6.323 5.940) 9.099 24.896 ( 0.297 6.799 -6.995) 9.759 25.171 ( 4.635 -8.473 5.949) 11.344 25.294 ( 6.929 -7.605 -5.777) 11.799 25.607 ( 1.526 3.436 7.470) 8.363 25.761 ( 2.633 -0.417 -7.537) 7.994 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.544 8.347 4.830) 10.661 1.616 ( 3.769 6.807 -2.134) 8.068 1.804 ( 8.412 8.492 3.767) 12.533 1.884 ( 3.683 6.248 -0.843) 7.301 1.979 ( 9.179 0.696 -2.732) 9.602 2.002 ( 4.630 -1.514 -4.082) 6.356 2.187 ( 4.269 4.976 -0.402) 6.569 2.244 ( 3.117 5.652 -4.819) 8.055 2.292 ( 3.034 3.929 4.882) 6.963 2.384 ( 0.782 -0.297 -1.526) 1.740 2.413 ( 3.846 3.728 -1.276) 5.506 2.429 ( -0.997 1.493 -3.473) 3.910 2.594 ( 1.382 5.190 1.189) 5.501 2.614 ( -2.484 4.543 0.550) 5.207 2.749 ( -4.089 -0.123 2.506) 4.797 2.797 ( -3.541 1.453 0.136) 3.830 2.882 ( 0.342 -3.660 4.575) 5.869 2.970 ( -1.215 -1.518 -1.609) 2.524 2.982 ( 2.651 6.174 -1.775) 6.950 3.036 ( 3.743 -4.788 -3.751) 7.142 3.147 ( -0.567 -1.686 -2.261) 2.877 3.165 ( 1.966 -2.011 -3.375) 4.393 3.256 ( 4.096 -0.302 2.166) 4.643 3.297 ( 2.821 -0.332 -1.643) 3.281 3.464 ( 1.975 7.671 4.108) 8.923 3.502 ( 0.286 7.016 0.031) 7.022 3.590 ( -2.138 4.081 4.419) 6.384 3.657 ( -2.068 2.211 -1.063) 3.209 3.724 ( -2.670 0.418 3.320) 4.281 3.755 ( -2.409 5.523 2.598) 6.561 3.799 ( -0.849 3.701 1.147) 3.967 3.927 ( 1.207 3.644 -5.242) 6.497 3.989 ( -4.552 0.163 3.168) 5.548 4.053 ( -4.481 9.334 -2.177) 10.580 4.095 ( 1.382 1.175 8.285) 8.481 4.242 ( 1.264 1.314 -6.022) 6.292 4.456 ( 3.486 -2.780 3.620) 5.743 4.519 ( 5.171 -3.921 -1.722) 6.714 4.639 ( 3.325 3.666 -1.352) 5.130 4.660 ( 3.503 3.642 -3.432) 6.109 4.885 ( -3.125 1.312 4.926) 5.979 4.991 ( -1.256 0.005 -4.818) 4.980 5.129 ( -0.984 -4.314 3.869) 5.878 5.216 ( -1.892 -5.146 -4.196) 6.905 5.319 ( 1.011 -1.767 7.020) 7.309 5.412 ( -0.710 -1.335 -2.455) 2.884 5.640 ( -4.972 -4.591 4.315) 8.026 5.793 ( -7.639 -10.090 -8.842) 15.438 7.409 ( 4.287 -1.442 1.439) 4.746 7.443 ( 4.426 -2.334 -1.643) 5.267 7.556 ( 4.947 -0.435 0.685) 5.013 7.569 ( 4.636 -0.115 -0.743) 4.696 7.660 ( 0.411 3.147 1.606) 3.557 7.690 ( -0.846 2.852 -1.093) 3.170 7.810 ( -1.300 0.015 2.064) 2.440 7.855 ( -2.266 -1.413 -1.900) 3.277 10.849 ( 2.076 -1.542 0.539) 2.641 10.861 ( 2.082 -1.830 -0.662) 2.850 10.991 ( -0.448 -0.945 0.538) 1.176 10.997 ( -0.056 -1.007 -0.326) 1.060 11.074 ( -1.808 0.487 0.846) 2.054 11.099 ( -0.577 0.351 -1.397) 1.551 11.160 ( -2.051 -1.090 1.240) 2.634 11.198 ( -1.393 -1.450 -2.166) 2.956 11.340 ( -3.738 1.867 1.422) 4.413 11.354 ( -4.111 1.022 0.125) 4.238 11.411 ( -3.392 3.703 0.657) 5.064 11.426 ( -3.823 3.111 -0.571) 4.962 16.347 ( 0.523 -0.385 0.088) 0.655 16.349 ( 0.447 -0.448 -0.089) 0.639 16.390 ( 0.739 -1.177 0.164) 1.399 16.392 ( 0.672 -1.124 -0.006) 1.309 23.549 ( 3.273 -0.528 3.573) 4.874 23.631 ( 2.408 -2.443 -3.829) 5.141 23.790 ( -2.971 -3.362 4.348) 6.248 23.857 ( -3.810 -5.126 -2.036) 6.703 24.280 ( 0.565 4.744 0.525) 4.806 24.308 ( 1.304 4.417 -2.279) 5.138 24.660 ( -7.183 6.776 5.541) 11.324 24.796 ( -8.742 4.973 -7.878) 12.776 25.338 ( 10.068 -4.653 6.124) 12.670 25.462 ( 8.601 -5.795 -5.664) 11.816 25.650 ( 2.873 1.424 8.343) 8.938 25.807 ( 1.508 -2.700 -6.915) 7.575 ======================= Grid point 150 (56/60) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 4.036 9.998 0.963) 10.825 1.653 ( -0.107 10.279 -2.109) 10.494 1.919 ( 3.033 2.358 -1.363) 4.076 1.948 ( 1.099 3.488 -2.524) 4.443 2.119 ( 8.153 -1.543 3.484) 9.000 2.128 ( 5.718 4.754 1.338) 7.555 2.236 ( -1.419 6.579 -0.463) 6.746 2.270 ( -1.965 3.436 -0.711) 4.022 2.353 ( 1.574 1.192 -0.305) 1.998 2.379 ( -1.076 0.959 -3.267) 3.571 2.404 ( 1.307 -3.510 -0.545) 3.785 2.427 ( -0.487 -4.621 -1.578) 4.907 2.547 ( 0.130 0.582 2.588) 2.655 2.648 ( -3.235 2.458 -5.461) 6.807 2.701 ( -1.625 8.899 0.612) 9.067 2.713 ( -0.198 10.251 0.024) 10.253 2.896 ( 1.322 -4.108 0.623) 4.360 2.930 ( -1.852 -4.287 -2.379) 5.241 3.047 ( 3.027 5.973 2.235) 7.060 3.088 ( -0.281 3.363 -1.424) 3.663 3.182 ( 4.163 1.142 -0.903) 4.410 3.212 ( 1.994 1.871 -3.532) 4.466 3.263 ( -1.303 2.300 0.915) 2.797 3.295 ( -2.679 2.254 -1.950) 4.007 3.468 ( -0.362 2.793 2.225) 3.589 3.491 ( -2.626 1.997 0.091) 3.300 3.560 ( -0.260 3.265 2.286) 3.994 3.593 ( -3.372 2.175 -0.332) 4.026 3.755 ( 4.935 -3.730 2.256) 6.584 3.759 ( 4.165 -0.991 2.121) 4.778 3.830 ( -0.703 1.252 3.216) 3.521 3.874 ( -5.551 -2.379 -0.246) 6.045 3.977 ( 3.267 6.451 4.501) 8.517 4.018 ( -0.167 10.893 2.300) 11.135 4.151 ( 4.383 3.044 4.367) 6.895 4.239 ( -2.700 3.398 -3.909) 5.841 4.503 ( 1.967 -0.363 3.463) 3.999 4.551 ( -2.032 -0.687 0.523) 2.208 4.680 ( 1.670 7.413 -1.814) 7.812 4.716 ( -0.025 4.548 -2.590) 5.234 4.940 ( 8.661 -3.562 1.877) 9.551 4.997 ( 3.587 -0.500 -3.536) 5.062 5.088 ( -4.131 -4.126 2.094) 6.203 5.122 ( -7.644 -5.076 -0.133) 9.177 5.355 ( 2.747 -0.395 3.638) 4.576 5.396 ( -1.072 -1.198 0.302) 1.636 5.569 ( -1.216 -7.372 -2.668) 7.934 5.632 ( -7.402 -9.664 -7.908) 14.517 7.499 ( 4.552 -1.459 1.515) 5.015 7.524 ( 3.339 -2.078 -0.760) 4.006 7.596 ( -1.755 -1.464 0.325) 2.309 7.601 ( -1.732 -0.418 -0.171) 1.790 7.690 ( 2.985 3.467 0.460) 4.598 7.699 ( 2.214 4.036 -0.466) 4.627 7.785 ( -1.032 -0.192 0.806) 1.323 7.806 ( -2.651 -1.085 -0.954) 3.020 10.890 ( 2.017 -1.057 0.948) 2.467 10.900 ( 1.598 -1.076 0.028) 1.927 10.965 ( -1.770 -1.928 0.823) 2.743 10.975 ( -2.046 -1.853 -0.222) 2.769 11.050 ( 0.006 0.960 -0.099) 0.965 11.063 ( -1.471 0.883 -1.327) 2.169 11.161 ( 0.858 -1.980 0.795) 2.300 11.181 ( -1.013 -2.325 -0.949) 2.708 11.299 ( 0.214 2.591 1.090) 2.819 11.317 ( 0.300 2.087 -0.476) 2.162 11.345 ( -3.123 2.847 0.335) 4.239 11.358 ( -2.909 2.513 -0.681) 3.904 16.355 ( 0.263 -0.122 0.058) 0.295 16.356 ( 0.196 -0.135 0.004) 0.238 16.401 ( 0.304 -1.414 0.065) 1.448 16.402 ( 0.237 -1.404 0.009) 1.424 23.617 ( 3.384 -0.620 3.580) 4.965 23.661 ( -0.261 -1.194 0.601) 1.362 23.749 ( -0.201 -3.686 0.653) 3.749 23.787 ( -3.177 -4.212 -1.776) 5.567 24.326 ( 3.686 5.471 0.726) 6.637 24.361 ( 2.310 5.591 -2.550) 6.565 24.536 ( -3.196 3.379 1.665) 4.940 24.614 ( -8.784 2.604 -5.786) 10.836 25.503 ( 6.200 -0.571 5.392) 8.236 25.561 ( 0.704 0.240 1.587) 1.753 25.728 ( 4.900 -4.389 0.662) 6.611 25.803 ( -2.149 -4.558 -4.877) 7.012 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.000 2.306 3.665) 4.330 1.480 ( 0.000 -3.782 -2.157) 4.354 1.672 ( 0.000 3.946 0.379) 3.964 1.740 ( 0.000 -2.600 -6.024) 6.561 2.092 ( 0.000 7.772 -0.339) 7.779 2.099 ( 0.000 2.630 0.885) 2.774 2.148 ( 0.000 11.430 0.135) 11.431 2.162 ( 0.000 5.224 0.600) 5.258 2.336 ( 0.000 0.345 0.361) 0.499 2.379 ( 0.000 -2.837 -3.427) 4.449 2.422 ( 0.000 5.443 -0.334) 5.454 2.461 ( 0.000 2.388 -3.732) 4.430 2.612 ( 0.000 1.492 2.813) 3.184 2.658 ( 0.000 3.584 -1.181) 3.773 2.701 ( 0.000 -3.626 4.897) 6.093 2.765 ( 0.000 -6.591 -0.207) 6.594 2.856 ( 0.000 -0.688 5.858) 5.898 2.887 ( 0.000 -2.875 2.927) 4.103 2.917 ( 0.000 3.963 3.387) 5.213 3.005 ( 0.000 -1.480 -6.120) 6.296 3.038 ( 0.000 -1.589 -2.890) 3.298 3.066 ( 0.000 -4.995 0.325) 5.006 3.078 ( 0.000 -6.583 -0.661) 6.616 3.098 ( 0.000 -5.649 -8.390) 10.115 3.603 ( 0.000 10.895 1.888) 11.057 3.627 ( 0.000 6.422 -0.962) 6.493 3.699 ( 0.000 0.493 2.531) 2.578 3.769 ( 0.000 -4.259 -2.030) 4.718 3.883 ( 0.000 2.895 0.646) 2.966 3.887 ( 0.000 3.441 0.439) 3.469 3.954 ( 0.000 1.694 3.262) 3.675 4.016 ( 0.000 -2.897 0.818) 3.010 4.088 ( 0.000 3.999 7.536) 8.531 4.165 ( 0.000 -2.671 2.144) 3.425 4.235 ( 0.000 10.297 4.488) 11.233 4.344 ( 0.000 2.053 -7.938) 8.199 4.442 ( 0.000 -0.070 -2.597) 2.598 4.505 ( 0.000 -3.717 6.306) 7.320 4.529 ( 0.000 12.620 -5.637) 13.821 4.678 ( 0.000 0.777 -6.748) 6.793 4.938 ( 0.000 -2.321 3.081) 3.858 4.957 ( 0.000 -3.127 -0.149) 3.130 5.013 ( 0.000 -4.428 0.531) 4.460 5.087 ( 0.000 -11.833 -5.286) 12.960 5.259 ( 0.000 0.929 1.116) 1.452 5.273 ( 0.000 -0.633 0.447) 0.775 5.785 ( 0.000 1.855 4.012) 4.420 5.832 ( 0.000 -3.289 -0.178) 3.294 7.294 ( 0.000 -0.699 -0.155) 0.716 7.295 ( 0.000 -0.830 -0.109) 0.837 7.417 ( 0.000 0.003 -0.693) 0.693 7.427 ( 0.000 -1.084 -1.604) 1.936 7.710 ( 0.000 3.226 1.391) 3.514 7.730 ( 0.000 1.700 -0.461) 1.761 7.845 ( 0.000 0.026 1.508) 1.508 7.872 ( 0.000 -2.165 -0.964) 2.370 10.782 ( 0.000 -0.519 -0.516) 0.732 10.782 ( 0.000 -0.551 -0.622) 0.831 10.985 ( 0.000 -0.082 -0.050) 0.096 10.986 ( 0.000 -0.171 -0.114) 0.206 11.069 ( 0.000 -0.369 -0.697) 0.789 11.069 ( 0.000 -0.369 -0.622) 0.723 11.255 ( 0.000 0.244 0.169) 0.297 11.262 ( 0.000 -0.386 -0.447) 0.590 11.471 ( 0.000 0.250 1.353) 1.376 11.474 ( 0.000 -0.137 0.973) 0.983 11.580 ( 0.000 1.987 0.562) 2.065 11.584 ( 0.000 1.542 0.164) 1.551 16.319 ( 0.000 -0.415 -0.091) 0.425 16.320 ( 0.000 -0.542 -0.200) 0.578 16.361 ( 0.000 -0.064 0.355) 0.361 16.363 ( 0.000 -0.265 0.148) 0.304 23.487 ( 0.000 1.248 -0.005) 1.248 23.520 ( 0.000 -2.084 -3.090) 3.727 23.819 ( 0.000 -0.759 2.943) 3.040 23.850 ( 0.000 -3.879 -0.183) 3.883 24.438 ( 0.000 2.885 0.767) 2.985 24.446 ( 0.000 2.123 -0.015) 2.123 24.839 ( 0.000 2.557 3.404) 4.258 24.871 ( 0.000 -0.277 0.668) 0.723 25.085 ( 0.000 -0.776 -0.342) 0.848 25.122 ( 0.000 -4.177 -3.679) 5.566 25.667 ( 0.000 3.633 2.287) 4.293 25.721 ( 0.000 -1.724 -3.019) 3.476 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.919 3.087 3.472) 9.181 1.557 ( 7.330 -1.442 -1.451) 7.610 1.710 ( 3.953 1.696 -1.092) 4.438 1.770 ( 3.248 -3.189 -6.650) 8.058 2.054 ( -0.979 7.919 1.295) 8.084 2.085 ( -1.249 4.187 -1.933) 4.778 2.212 ( 3.170 6.516 2.990) 7.839 2.238 ( 5.719 6.865 0.770) 8.968 2.336 ( 0.545 -0.913 0.308) 1.107 2.365 ( -0.995 -3.213 -2.374) 4.117 2.432 ( 0.314 3.920 -1.344) 4.156 2.481 ( 1.528 1.509 -4.654) 5.126 2.646 ( 3.007 1.880 2.331) 4.243 2.673 ( 1.409 5.698 0.313) 5.878 2.723 ( 1.614 -4.565 3.808) 6.159 2.784 ( 2.296 -5.159 -0.493) 5.668 2.859 ( 0.005 1.787 3.702) 4.111 2.920 ( 2.758 1.349 2.109) 3.725 2.937 ( 1.607 -1.008 0.858) 2.082 2.979 ( -2.316 -3.651 -6.364) 7.693 3.024 ( 0.610 -4.110 -0.524) 4.188 3.063 ( -0.670 -7.028 -2.497) 7.489 3.127 ( 5.731 -0.421 -0.906) 5.817 3.159 ( 5.509 -2.445 -3.637) 7.040 3.583 ( -1.164 6.927 4.462) 8.321 3.625 ( -1.619 3.236 1.695) 3.996 3.701 ( 0.668 3.302 1.019) 3.519 3.784 ( 0.298 -2.601 -5.325) 5.934 3.840 ( -2.680 5.636 3.737) 7.274 3.881 ( -1.254 3.690 -0.432) 3.921 3.908 ( -5.007 1.693 5.035) 7.299 4.011 ( -2.415 -4.479 -2.480) 5.661 4.094 ( 1.324 5.734 7.920) 9.867 4.143 ( -3.188 4.164 3.963) 6.573 4.202 ( 0.020 -1.891 2.612) 3.225 4.289 ( -4.547 -4.563 -3.567) 7.364 4.428 ( 1.906 7.831 -2.134) 8.338 4.464 ( -4.717 12.399 -3.678) 13.767 4.590 ( 4.045 -3.173 0.509) 5.166 4.673 ( -0.752 -2.239 -5.756) 6.222 4.926 ( -0.458 -0.948 2.613) 2.817 4.955 ( 0.299 -3.032 -0.796) 3.149 5.027 ( 1.242 -3.743 0.483) 3.974 5.072 ( 0.116 -7.908 -3.002) 8.459 5.302 ( 3.226 1.907 2.072) 4.282 5.341 ( 3.962 -2.386 -1.779) 4.956 5.732 ( -5.191 1.461 3.349) 6.348 5.781 ( -5.041 -3.855 -1.005) 6.425 7.319 ( 2.613 -0.468 0.028) 2.655 7.327 ( 2.964 -1.224 -0.566) 3.256 7.454 ( 3.507 -0.252 -0.336) 3.532 7.463 ( 3.402 -1.105 -1.130) 3.751 7.722 ( 1.073 3.549 1.521) 4.008 7.746 ( 1.442 1.952 -0.730) 2.534 7.827 ( -1.669 -0.192 1.510) 2.259 7.857 ( -1.448 -2.274 -1.141) 2.927 10.795 ( 1.337 -0.407 -0.271) 1.423 10.798 ( 1.453 -0.744 -0.599) 1.739 10.986 ( -0.008 -0.142 -0.046) 0.150 10.986 ( 0.045 -0.185 -0.115) 0.223 11.078 ( 0.831 -0.177 -0.349) 0.918 11.080 ( 0.979 -0.319 -0.434) 1.117 11.222 ( -3.282 0.201 0.063) 3.289 11.231 ( -3.057 -0.648 -0.742) 3.212 11.437 ( -3.231 0.417 1.246) 3.488 11.440 ( -3.212 0.035 0.902) 3.336 11.543 ( -3.374 1.969 0.548) 3.945 11.549 ( -3.329 1.414 0.079) 3.618 16.326 ( 0.662 -0.326 -0.066) 0.741 16.327 ( 0.674 -0.450 -0.191) 0.833 16.366 ( 0.399 -0.153 0.334) 0.542 16.368 ( 0.394 -0.339 0.129) 0.535 23.505 ( 1.834 1.200 0.229) 2.203 23.539 ( 1.829 -2.129 -2.891) 4.029 23.797 ( -2.078 -0.689 2.829) 3.577 23.826 ( -2.272 -3.612 -0.072) 4.268 24.382 ( -3.561 2.352 0.111) 4.269 24.391 ( -3.454 1.573 -0.704) 3.861 24.885 ( -0.437 6.184 6.464) 8.956 25.009 ( -6.325 -3.759 1.587) 7.527 25.032 ( 12.421 2.892 -1.989) 12.907 25.153 ( 6.242 -6.735 -6.438) 11.215 25.680 ( 1.172 3.606 3.102) 4.899 25.737 ( 1.340 -2.081 -2.491) 3.512 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 7.683 6.632 2.020) 10.349 1.735 ( 9.507 4.312 -2.087) 10.645 1.809 ( 5.678 -3.304 -2.127) 6.905 1.881 ( 7.655 -6.176 -7.139) 12.154 2.054 ( 1.068 6.995 1.096) 7.160 2.073 ( 0.476 4.253 -0.841) 4.362 2.259 ( 1.879 4.307 3.620) 5.932 2.300 ( 1.080 0.443 -0.525) 1.280 2.343 ( -0.721 -1.935 0.830) 2.226 2.362 ( -0.003 -3.806 1.370) 4.045 2.418 ( -1.127 4.472 -3.462) 5.766 2.474 ( -2.826 -0.227 -4.160) 5.034 2.673 ( -1.856 2.217 1.226) 3.141 2.718 ( 1.730 -1.355 -2.185) 3.099 2.780 ( 3.387 5.323 1.818) 6.566 2.817 ( 1.209 1.811 -1.745) 2.791 2.841 ( -0.058 1.933 1.152) 2.251 2.883 ( -3.207 -2.778 -3.599) 5.564 2.992 ( 4.181 -1.799 2.373) 5.133 3.026 ( 4.634 -3.453 0.227) 5.783 3.098 ( 4.709 -1.278 -1.599) 5.135 3.105 ( 5.817 -2.676 -1.632) 6.608 3.254 ( 6.092 0.458 0.016) 6.109 3.273 ( 5.260 -1.378 -1.513) 5.644 3.562 ( -0.885 3.390 5.766) 6.747 3.596 ( -0.775 1.082 3.977) 4.193 3.686 ( -2.567 4.322 -0.268) 5.034 3.720 ( -6.208 2.840 -0.833) 6.877 3.762 ( -7.341 2.699 4.269) 8.911 3.783 ( -4.495 -0.993 -0.304) 4.614 3.858 ( -2.025 1.937 2.740) 3.919 3.931 ( -5.322 -3.543 -1.537) 6.576 4.096 ( 1.099 9.059 6.269) 11.071 4.149 ( 4.342 5.822 2.997) 7.857 4.231 ( 2.749 -3.923 0.097) 4.791 4.272 ( 0.888 0.294 -3.876) 3.987 4.415 ( 1.695 6.961 3.700) 8.063 4.491 ( 3.716 3.953 -3.550) 6.484 4.638 ( 0.308 -5.099 -0.919) 5.191 4.659 ( 1.088 -5.397 -3.210) 6.373 4.928 ( 0.139 3.431 2.034) 3.991 4.972 ( 0.944 -0.922 -2.193) 2.559 5.045 ( 0.258 -2.626 1.297) 2.940 5.084 ( 0.028 -5.690 -1.631) 5.919 5.345 ( 1.175 2.119 1.125) 2.672 5.383 ( 0.596 -1.739 -2.340) 2.976 5.599 ( -7.837 0.285 1.583) 8.001 5.648 ( -8.105 -4.812 -2.831) 9.841 7.389 ( 4.317 -0.331 0.245) 4.336 7.401 ( 4.424 -1.550 -0.837) 4.761 7.530 ( 3.420 -0.896 0.440) 3.562 7.538 ( 3.414 -1.588 -0.341) 3.781 7.742 ( 0.812 3.951 1.217) 4.213 7.767 ( -0.120 3.816 -1.143) 3.985 7.798 ( -0.466 -1.572 1.286) 2.084 7.825 ( -1.475 -2.050 -1.195) 2.794 10.830 ( 2.197 -0.375 0.107) 2.231 10.835 ( 2.228 -0.831 -0.346) 2.403 10.979 ( -0.900 -0.212 0.403) 1.009 10.982 ( -0.751 -0.495 0.041) 0.901 11.088 ( -0.304 0.978 0.779) 1.287 11.104 ( 1.195 -0.225 -0.281) 1.248 11.144 ( -3.951 0.012 -0.238) 3.959 11.165 ( -2.707 -1.681 -1.738) 3.630 11.367 ( -3.220 0.813 0.858) 3.430 11.370 ( -3.179 0.429 0.460) 3.241 11.466 ( -4.222 1.636 0.448) 4.550 11.471 ( -4.324 1.146 0.055) 4.474 16.342 ( 0.918 -0.076 -0.001) 0.921 16.343 ( 0.919 -0.180 -0.149) 0.948 16.374 ( 0.316 -0.416 0.263) 0.584 16.375 ( 0.299 -0.553 0.076) 0.633 23.555 ( 3.131 1.063 0.822) 3.407 23.587 ( 2.937 -2.039 -2.163) 4.178 23.749 ( -2.672 -0.512 2.476) 3.679 23.774 ( -2.864 -2.981 0.032) 4.134 24.349 ( 0.597 2.196 -0.332) 2.300 24.362 ( 0.945 1.011 -1.586) 2.105 24.766 ( -9.475 4.307 3.091) 10.857 24.827 ( -10.889 -1.466 -2.642) 11.300 25.305 ( 13.677 1.242 1.585) 13.825 25.363 ( 12.536 -4.169 -3.648) 13.705 25.698 ( 0.198 2.994 3.875) 4.901 25.755 ( 0.030 -2.742 -1.780) 3.269 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 5.361 8.273 -0.560) 9.874 1.846 ( 1.292 8.495 -4.269) 9.595 1.913 ( 3.725 -3.153 -1.821) 5.209 1.961 ( -0.516 -3.297 -5.482) 6.418 2.127 ( 6.454 3.179 2.331) 7.563 2.149 ( 6.436 0.160 0.002) 6.438 2.261 ( -2.184 -2.391 2.673) 4.199 2.292 ( -4.201 -3.860 -0.466) 5.724 2.342 ( 1.635 -0.452 0.635) 1.812 2.349 ( 1.485 -0.157 0.392) 1.544 2.389 ( -2.918 0.916 -2.927) 4.233 2.403 ( -3.075 -0.405 -3.172) 4.436 2.631 ( -0.836 7.947 -1.687) 8.167 2.669 ( -4.031 3.034 -4.666) 6.872 2.787 ( -0.173 -6.181 -0.718) 6.225 2.807 ( -2.188 -7.561 -2.546) 8.272 2.907 ( 4.328 9.120 2.664) 10.440 2.921 ( 3.479 9.138 1.410) 9.879 3.066 ( 2.480 -3.753 1.719) 4.816 3.082 ( 0.620 -3.580 0.411) 3.656 3.202 ( 5.754 0.860 -0.312) 5.826 3.217 ( 5.298 -0.613 -1.507) 5.542 3.303 ( -2.469 1.079 -0.286) 2.710 3.309 ( -2.654 0.071 -0.713) 2.749 3.553 ( 0.424 4.443 3.461) 5.648 3.575 ( -0.980 3.865 1.555) 4.280 3.619 ( -1.561 2.889 0.901) 3.406 3.638 ( -2.633 0.504 -0.157) 2.685 3.706 ( 2.176 -0.182 4.253) 4.781 3.729 ( 0.209 -1.920 1.542) 2.472 3.784 ( -4.628 -2.189 3.529) 6.218 3.816 ( -5.954 -3.517 1.437) 7.063 4.169 ( 4.626 9.460 5.021) 11.666 4.228 ( 0.231 7.731 3.167) 8.358 4.281 ( 2.292 6.542 -4.736) 8.395 4.295 ( 2.308 0.173 -2.886) 3.700 4.480 ( 3.379 1.543 5.151) 6.351 4.535 ( -0.997 3.300 0.378) 3.468 4.664 ( 4.097 -10.332 2.590) 11.412 4.706 ( 1.402 -9.142 -0.943) 9.297 4.929 ( 1.013 5.710 -0.403) 5.813 4.971 ( -1.459 2.101 -3.689) 4.489 5.031 ( -1.059 -2.356 0.592) 2.650 5.054 ( -2.541 -3.349 -1.018) 4.326 5.370 ( 2.029 1.348 -0.217) 2.446 5.395 ( 1.025 -0.419 -2.164) 2.430 5.463 ( -4.876 -2.282 -0.896) 5.457 5.495 ( -6.602 -4.534 -3.658) 8.805 7.477 ( 4.402 -0.319 0.548) 4.448 7.488 ( 4.150 -1.318 -0.509) 4.384 7.551 ( -1.577 -1.554 0.730) 2.332 7.558 ( -1.554 -2.101 -0.040) 2.614 7.762 ( 1.464 2.877 0.214) 3.235 7.768 ( 0.967 2.374 -0.451) 2.603 7.795 ( -0.537 0.256 0.042) 0.596 7.802 ( -1.135 -0.381 -0.496) 1.296 10.878 ( 2.720 -0.143 0.536) 2.776 10.883 ( 2.745 -0.635 0.012) 2.818 10.940 ( -2.906 -0.502 0.860) 3.072 10.946 ( -2.852 -1.002 0.275) 3.035 11.078 ( 0.078 1.789 0.096) 1.794 11.090 ( -1.193 1.732 -1.051) 2.351 11.120 ( 0.275 -2.071 0.374) 2.122 11.134 ( -1.152 -2.329 -0.926) 2.759 11.339 ( 0.760 1.278 0.483) 1.563 11.345 ( 0.835 0.633 -0.147) 1.059 11.387 ( -3.620 1.312 0.324) 3.864 11.392 ( -3.478 0.813 -0.099) 3.574 16.357 ( 0.564 0.351 0.064) 0.667 16.358 ( 0.492 0.343 -0.033) 0.601 16.377 ( 0.027 -0.935 0.125) 0.943 16.378 ( -0.056 -0.952 0.017) 0.954 23.620 ( 3.399 1.006 1.467) 3.836 23.645 ( 2.589 -0.927 -0.745) 2.849 23.696 ( -2.460 -1.080 1.728) 3.194 23.717 ( -2.946 -2.689 -0.193) 3.993 24.410 ( 5.438 3.009 -0.311) 6.223 24.432 ( 5.809 1.229 -2.481) 6.435 24.576 ( -8.826 1.694 0.708) 9.015 24.615 ( -10.149 -1.748 -3.087) 10.751 25.530 ( 8.876 2.730 2.530) 9.624 25.574 ( 7.712 -0.547 -1.546) 7.884 25.675 ( -2.213 0.020 3.086) 3.798 25.722 ( -3.672 -3.680 -1.430) 5.392 =================== 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 3/26460 10.0 142.569 49.152 49.438 0.000 0.000 0.000 3/26460 20.0 15.457 7.272 7.301 0.000 0.000 0.000 3/26460 30.0 5.929 3.221 2.883 0.000 0.000 0.000 3/26460 40.0 3.405 2.061 1.690 0.000 0.000 0.000 3/26460 50.0 2.362 1.549 1.197 0.000 0.000 0.000 3/26460 60.0 1.816 1.264 0.939 0.000 0.000 0.000 3/26460 70.0 1.483 1.079 0.781 0.000 0.000 0.000 3/26460 80.0 1.260 0.948 0.673 0.000 0.000 0.000 3/26460 90.0 1.099 0.849 0.595 0.000 0.000 0.000 3/26460 100.0 0.977 0.770 0.534 0.000 0.000 0.000 3/26460 110.0 0.882 0.706 0.486 0.000 0.000 0.000 3/26460 120.0 0.805 0.653 0.447 0.000 0.000 0.000 3/26460 130.0 0.742 0.608 0.414 0.000 0.000 0.000 3/26460 140.0 0.689 0.570 0.386 0.000 0.000 0.000 3/26460 150.0 0.644 0.537 0.363 0.000 0.000 0.000 3/26460 160.0 0.606 0.508 0.342 0.000 0.000 0.000 3/26460 170.0 0.573 0.483 0.324 0.000 0.000 0.000 3/26460 180.0 0.544 0.461 0.309 0.000 0.000 0.000 3/26460 190.0 0.519 0.441 0.295 0.000 0.000 0.000 3/26460 200.0 0.496 0.424 0.283 0.000 0.000 0.000 3/26460 210.0 0.476 0.408 0.272 0.000 0.000 0.000 3/26460 220.0 0.458 0.394 0.263 0.000 0.000 0.000 3/26460 230.0 0.442 0.382 0.254 0.000 0.000 0.000 3/26460 240.0 0.428 0.370 0.246 0.000 0.000 0.000 3/26460 250.0 0.414 0.359 0.239 0.000 0.000 0.000 3/26460 260.0 0.402 0.349 0.232 0.000 0.000 0.000 3/26460 270.0 0.390 0.340 0.226 0.000 0.000 0.000 3/26460 280.0 0.380 0.331 0.220 0.000 0.000 0.000 3/26460 290.0 0.370 0.323 0.214 0.000 0.000 0.000 3/26460 300.0 0.361 0.315 0.209 0.000 0.000 0.000 3/26460 310.0 0.352 0.308 0.204 0.000 0.000 0.000 3/26460 320.0 0.344 0.301 0.200 0.000 0.000 0.000 3/26460 330.0 0.336 0.295 0.195 0.000 0.000 0.000 3/26460 340.0 0.328 0.289 0.191 0.000 0.000 0.000 3/26460 350.0 0.321 0.283 0.187 0.000 0.000 0.000 3/26460 360.0 0.314 0.277 0.184 0.000 0.000 0.000 3/26460 370.0 0.308 0.272 0.180 0.000 0.000 0.000 3/26460 380.0 0.302 0.266 0.176 0.000 0.000 0.000 3/26460 390.0 0.296 0.261 0.173 0.000 0.000 0.000 3/26460 400.0 0.290 0.256 0.170 0.000 0.000 0.000 3/26460 410.0 0.285 0.252 0.167 0.000 0.000 0.000 3/26460 420.0 0.279 0.247 0.164 0.000 0.000 0.000 3/26460 430.0 0.274 0.243 0.161 0.000 0.000 0.000 3/26460 440.0 0.269 0.239 0.158 0.000 0.000 0.000 3/26460 450.0 0.265 0.235 0.155 0.000 0.000 0.000 3/26460 460.0 0.260 0.231 0.153 0.000 0.000 0.000 3/26460 470.0 0.256 0.227 0.150 0.000 0.000 0.000 3/26460 480.0 0.251 0.223 0.148 0.000 0.000 0.000 3/26460 490.0 0.247 0.219 0.145 0.000 0.000 0.000 3/26460 500.0 0.243 0.216 0.143 0.000 0.000 0.000 3/26460 510.0 0.239 0.213 0.141 0.000 0.000 0.000 3/26460 520.0 0.236 0.209 0.139 0.000 0.000 0.000 3/26460 530.0 0.232 0.206 0.137 0.000 0.000 0.000 3/26460 540.0 0.228 0.203 0.135 0.000 0.000 0.000 3/26460 550.0 0.225 0.200 0.133 0.000 0.000 0.000 3/26460 560.0 0.222 0.197 0.131 0.000 0.000 0.000 3/26460 570.0 0.218 0.194 0.129 0.000 0.000 0.000 3/26460 580.0 0.215 0.191 0.127 0.000 0.000 0.000 3/26460 590.0 0.212 0.189 0.125 0.000 0.000 0.000 3/26460 600.0 0.209 0.186 0.123 0.000 0.000 0.000 3/26460 610.0 0.206 0.183 0.122 0.000 0.000 0.000 3/26460 620.0 0.203 0.181 0.120 0.000 0.000 0.000 3/26460 630.0 0.200 0.178 0.118 0.000 0.000 0.000 3/26460 640.0 0.198 0.176 0.117 0.000 0.000 0.000 3/26460 650.0 0.195 0.174 0.115 0.000 0.000 0.000 3/26460 660.0 0.192 0.172 0.114 0.000 0.000 0.000 3/26460 670.0 0.190 0.169 0.112 0.000 0.000 0.000 3/26460 680.0 0.188 0.167 0.111 0.000 0.000 0.000 3/26460 690.0 0.185 0.165 0.109 0.000 0.000 0.000 3/26460 700.0 0.183 0.163 0.108 0.000 0.000 0.000 3/26460 710.0 0.181 0.161 0.107 0.000 0.000 0.000 3/26460 720.0 0.178 0.159 0.105 0.000 0.000 0.000 3/26460 730.0 0.176 0.157 0.104 0.000 0.000 0.000 3/26460 740.0 0.174 0.155 0.103 0.000 0.000 0.000 3/26460 750.0 0.172 0.153 0.102 0.000 0.000 0.000 3/26460 760.0 0.170 0.152 0.101 0.000 0.000 0.000 3/26460 770.0 0.168 0.150 0.099 0.000 0.000 0.000 3/26460 780.0 0.166 0.148 0.098 0.000 0.000 0.000 3/26460 790.0 0.164 0.146 0.097 0.000 0.000 0.000 3/26460 800.0 0.162 0.145 0.096 0.000 0.000 0.000 3/26460 810.0 0.160 0.143 0.095 0.000 0.000 0.000 3/26460 820.0 0.159 0.142 0.094 0.000 0.000 0.000 3/26460 830.0 0.157 0.140 0.093 0.000 0.000 0.000 3/26460 840.0 0.155 0.139 0.092 0.000 0.000 0.000 3/26460 850.0 0.153 0.137 0.091 0.000 0.000 0.000 3/26460 860.0 0.152 0.136 0.090 0.000 0.000 0.000 3/26460 870.0 0.150 0.134 0.089 0.000 0.000 0.000 3/26460 880.0 0.149 0.133 0.088 0.000 0.000 0.000 3/26460 890.0 0.147 0.131 0.087 0.000 0.000 0.000 3/26460 900.0 0.146 0.130 0.086 0.000 0.000 0.000 3/26460 910.0 0.144 0.129 0.085 0.000 0.000 0.000 3/26460 920.0 0.143 0.127 0.085 0.000 0.000 0.000 3/26460 930.0 0.141 0.126 0.084 0.000 0.000 0.000 3/26460 940.0 0.140 0.125 0.083 0.000 0.000 0.000 3/26460 950.0 0.139 0.124 0.082 0.000 0.000 0.000 3/26460 960.0 0.137 0.123 0.081 0.000 0.000 0.000 3/26460 970.0 0.136 0.121 0.081 0.000 0.000 0.000 3/26460 980.0 0.135 0.120 0.080 0.000 0.000 0.000 3/26460 990.0 0.133 0.119 0.079 0.000 0.000 0.000 3/26460 1000.0 0.132 0.118 0.078 0.000 0.000 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:46:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|